20607721	Structure_Complexity	96.6
123899588	Isotope_Atom_Count	0
96281	Total_Formal_Charge	0
68505	Structure_Complexity	28
19186	Covalent_Unit_Count	1
2016	Non-hydrogen_Atom_Count	17
23566493	Total_Formal_Charge	0
47104	Defined_Bond_Stereo_Count	0
18730068	Hydrogen_Bond_Acceptor_Count	0
22203	Exact_Mass	324.14739250
134694634	Non-hydrogen_Atom_Count	44
1637	Rotatable_Bond_Count	8
68410	TPSA	40.5
177739	Undefined_Atom_Stereo_Count	0
11650	TPSA	209
70032924	Non-hydrogen_Atom_Count	7
10455	Total_Formal_Charge	0
129638019	Molecular_Weight	296.36
131287	Undefined_Bond_Stereo_Count	0
897	Molecular_Weight	220.22
4235	Undefined_Bond_Stereo_Count	0
20392430	Undefined_Atom_Stereo_Count	1
5281650	Defined_Atom_Stereo_Count	0
17352	Exact_Mass	71.073499291
22023476	Total_Formal_Charge	0
24203	Undefined_Bond_Stereo_Count	0
76319	Hydrogen_Bond_Acceptor_Count	1
2734164	Defined_Atom_Stereo_Count	0
130	Isotope_Atom_Count	0
71457955	Covalent_Unit_Count	1
11573	Hydrogen_Bond_Donor_Count	0
72775170	Hydrogen_Bond_Acceptor_Count	2
45356929	Molecular_Weight	908.9
284980	Mono_Isotopic_Weight	217.9901349
993	Rotatable_Bond_Count	1
145875202	Defined_Atom_Stereo_Count	13
441072	Molecular_Weight	127.23
31243	Undefined_Bond_Stereo_Count	0
92258	Undefined_Bond_Stereo_Count	0
102601163	Structure_Complexity	541
58775800	XLogP3-AA	0.1
11954258	Molecular_Weight	667.8
133662562	Structure_Complexity	151
3799953	Molecular_Weight	78.16
16906	Undefined_Bond_Stereo_Count	0
11309487	Structure_Complexity	127
83346	Defined_Bond_Stereo_Count	0
57345410	Total_Formal_Charge	0
28424	Total_Formal_Charge	0
60976	Defined_Atom_Stereo_Count	0
57401682	Structure_Complexity	677
43678	Non-hydrogen_Atom_Count	29
1100	Rotatable_Bond_Count	0
88212048	Defined_Bond_Stereo_Count	0
12285890	Isotope_Atom_Count	1
54520	Exact_Mass	306.19434270
15461361	Defined_Bond_Stereo_Count	2
9375	Exact_Mass	206.141913202
46529	Defined_Bond_Stereo_Count	0
118705472	Rotatable_Bond_Count	5
10039700	XLogP3-AA	0.8
12310946	Hydrogen_Bond_Acceptor_Count	0
93321	Defined_Atom_Stereo_Count	5
11317	Mono_Isotopic_Weight	156.093900383
235414	Total_Formal_Charge	0
9865961	Rotatable_Bond_Count	7
38849	Mono_Isotopic_Weight	417.10897236
443391	Exact_Mass	428.14601035
5361202	Defined_Atom_Stereo_Count	2
12242815	Hydrogen_Bond_Acceptor_Count	1
137602	Hydrogen_Bond_Acceptor_Count	0
146474256	Hydrogen_Bond_Acceptor_Count	2
53316386	Structure_Complexity	823
6277	Isotope_Atom_Count	0
86138	XLogP3	3.2
42611257	Molecular_Weight	489.9
54726192	Defined_Bond_Stereo_Count	0
53259022	Non-hydrogen_Atom_Count	38
169969	Molecular_Weight	68.08
54413601	Hydrogen_Bond_Donor_Count	0
78012803	Rotatable_Bond_Count	3
60150204	Covalent_Unit_Count	1
5281082	Structure_Complexity	659
13704283	Mono_Isotopic_Weight	114.079312947
78160	Isotope_Atom_Count	0
204109	Mono_Isotopic_Weight	381.08349271
24643	Defined_Atom_Stereo_Count	0
6438028	Structure_Complexity	348
5351457	Defined_Atom_Stereo_Count	0
16950	Rotatable_Bond_Count	10
667657	Defined_Bond_Stereo_Count	0
5826113	Undefined_Atom_Stereo_Count	0
53555	Molecular_Weight	283.32
60189	Molecular_Weight	286.37
12304094	Isotope_Atom_Count	0
21679899	TPSA	9.2
19690565	Total_Formal_Charge	0
2227	Rotatable_Bond_Count	5
21662383	Hydrogen_Bond_Donor_Count	0
1416277	Non-hydrogen_Atom_Count	6
10369242	Molecular_Weight	515.5
10755924	Structure_Complexity	447
85896	Rotatable_Bond_Count	3
20774105	Defined_Bond_Stereo_Count	0
1969	Structure_Complexity	248
57298123	Undefined_Atom_Stereo_Count	0
542882	Hydrogen_Bond_Donor_Count	0
68861	Undefined_Atom_Stereo_Count	0
10960	Covalent_Unit_Count	1
447555	TPSA	134
65708	Total_Formal_Charge	0
134694008	Defined_Bond_Stereo_Count	0
21887872	Undefined_Bond_Stereo_Count	0
11957696	Undefined_Bond_Stereo_Count	0
21354474	Total_Formal_Charge	0
31247	Mono_Isotopic_Weight	114.068079557
7826	Total_Formal_Charge	0
16683091	Exact_Mass	767.69088
161965	Rotatable_Bond_Count	3
154824089	Molecular_Weight	397.5
237041	Hydrogen_Bond_Donor_Count	1
11625386	Undefined_Bond_Stereo_Count	0
129787588	Covalent_Unit_Count	1
79088	TPSA	60.2
41170	Isotope_Atom_Count	0
9919170	Structure_Complexity	1380
404289	Defined_Bond_Stereo_Count	0
193991	Exact_Mass	318.11906976
27119	Molecular_Weight	216.66
14245	Hydrogen_Bond_Donor_Count	0
14481877	Covalent_Unit_Count	1
22013147	Defined_Atom_Stereo_Count	0
541087	Non-hydrogen_Atom_Count	23
8970	Structure_Complexity	340
94242	Hydrogen_Bond_Donor_Count	0
10021510	Covalent_Unit_Count	1
2354	Exact_Mass	281.13889351
139906410	Rotatable_Bond_Count	1
544596	Rotatable_Bond_Count	3
135476260	Structure_Complexity	932
222073	Molecular_Weight	134.56
5311066	Exact_Mass	416.21988874
20475566	Total_Formal_Charge	0
129654248	TPSA	15.4
57521	Defined_Atom_Stereo_Count	0
284948	Hydrogen_Bond_Acceptor_Count	6
14523561	Rotatable_Bond_Count	9
175967	Structure_Complexity	627
53481477	Hydrogen_Bond_Acceptor_Count	5
118210118	XLogP3-AA	0
129747104	XLogP3-AA	0.2
137228068	Isotope_Atom_Count	0
59973	Rotatable_Bond_Count	10
547785	Hydrogen_Bond_Donor_Count	3
5457	Hydrogen_Bond_Donor_Count	0
14671581	Non-hydrogen_Atom_Count	8
86184	Hydrogen_Bond_Donor_Count	1
1731	TPSA	40.5
15568	Exact_Mass	286.11782371
12621600	Exact_Mass	70.041864811
53318409	Total_Formal_Charge	0
135398733	Covalent_Unit_Count	1
575278	Exact_Mass	115.099714038
17198	Non-hydrogen_Atom_Count	14
10909502	Hydrogen_Bond_Acceptor_Count	2
69677	Non-hydrogen_Atom_Count	9
129711560	Undefined_Atom_Stereo_Count	4
58460047	Exact_Mass	425.0502514
12352	TPSA	23.8
80782	Hydrogen_Bond_Acceptor_Count	2
39617	Rotatable_Bond_Count	3
78962	Hydrogen_Bond_Acceptor_Count	0
10066275	XLogP3-AA	3.2
37616	Structure_Complexity	320
47319	Mono_Isotopic_Weight	928.50852574
243415	Defined_Atom_Stereo_Count	0
44346	Defined_Atom_Stereo_Count	0
5282315	Exact_Mass	821.49254132
39075	Mono_Isotopic_Weight	342.2090269
317459	Covalent_Unit_Count	1
31075	Undefined_Bond_Stereo_Count	0
69949	Non-hydrogen_Atom_Count	8
150310	Non-hydrogen_Atom_Count	30
62656	Exact_Mass	125.90349
18779169	Exact_Mass	112.063662883
585999	TPSA	80.4
9973	Isotope_Atom_Count	0
13018787	TPSA	93
56120	Non-hydrogen_Atom_Count	18
10433	Hydrogen_Bond_Donor_Count	2
14583329	Defined_Bond_Stereo_Count	0
52948643	Hydrogen_Bond_Acceptor_Count	5
10686	XLogP3	3.6
16590	Isotope_Atom_Count	0
9494	Covalent_Unit_Count	1
636397	Undefined_Bond_Stereo_Count	0
25058183	Defined_Atom_Stereo_Count	0
642156	Rotatable_Bond_Count	0
10395255	Defined_Bond_Stereo_Count	1
5311451	Molecular_Weight	685.9
137151	Hydrogen_Bond_Acceptor_Count	1
56842108	Covalent_Unit_Count	2
34306	Exact_Mass	204.11840105
18069	TPSA	43.1
66982	Molecular_Weight	190.71
6424	Defined_Bond_Stereo_Count	0
38251	Defined_Atom_Stereo_Count	0
11519070	Undefined_Bond_Stereo_Count	0
45806	Total_Formal_Charge	2
3107848	TPSA	46.2
9555	Isotope_Atom_Count	0
64356	Defined_Atom_Stereo_Count	0
184822	Hydrogen_Bond_Donor_Count	3
95309	Total_Formal_Charge	0
13643838	Defined_Bond_Stereo_Count	0
5977	Mono_Isotopic_Weight	175.956248
133556498	Defined_Atom_Stereo_Count	11
15599	Isotope_Atom_Count	0
8219	Total_Formal_Charge	0
5309446	Mono_Isotopic_Weight	361.1112531
49757967	Mono_Isotopic_Weight	112.063662883
38310	Defined_Bond_Stereo_Count	0
11505444	Mono_Isotopic_Weight	617.25595715
86359	Hydrogen_Bond_Acceptor_Count	0
135398701	Undefined_Bond_Stereo_Count	0
86015488	Structure_Complexity	153
704314	Exact_Mass	302.01836991
14296346	Defined_Atom_Stereo_Count	0
98177686	Hydrogen_Bond_Donor_Count	1
880	Mono_Isotopic_Weight	72.021129366
10953450	Rotatable_Bond_Count	2
360081	Hydrogen_Bond_Donor_Count	2
3084101	Rotatable_Bond_Count	0
15461361	Covalent_Unit_Count	1
174512	Tautomer_Count	1
53321036	Covalent_Unit_Count	1
36906	Rotatable_Bond_Count	3
24901140	Hydrogen_Bond_Donor_Count	4
67615455	TPSA	110
15600	Covalent_Unit_Count	1
23591662	Total_Formal_Charge	0
466	Non-hydrogen_Atom_Count	16
6343	Rotatable_Bond_Count	0
57398329	Hydrogen_Bond_Acceptor_Count	9
2724123	XLogP3-AA	1.3
6326975	Defined_Bond_Stereo_Count	0
44560772	Undefined_Atom_Stereo_Count	0
123998	Tautomer_Count	1000
67258371	Rotatable_Bond_Count	0
44392148	Structure_Complexity	651
519415	TPSA	18.5
443943	Rotatable_Bond_Count	2
13134933	Total_Formal_Charge	0
54605723	Rotatable_Bond_Count	4
5364598	Hydrogen_Bond_Donor_Count	0
6917939	Hydrogen_Bond_Acceptor_Count	5
140695	Defined_Atom_Stereo_Count	0
4513	Defined_Atom_Stereo_Count	0
135565884	Mono_Isotopic_Weight	471.22703980
12251	Mono_Isotopic_Weight	90.031694049
4871804	Exact_Mass	149.05104977
56673690	Molecular_Weight	508.0
220861	Hydrogen_Bond_Acceptor_Count	14
4179	Isotope_Atom_Count	0
11632418	Isotope_Atom_Count	0
162268	Hydrogen_Bond_Donor_Count	0
4159	Hydrogen_Bond_Donor_Count	3
53316385	Exact_Mass	603.1691619
5365552	Hydrogen_Bond_Acceptor_Count	0
12302694	Hydrogen_Bond_Donor_Count	8
13196775	Undefined_Bond_Stereo_Count	0
15983809	Defined_Atom_Stereo_Count	0
59259660	Undefined_Bond_Stereo_Count	0
4952	Molecular_Weight	336.5
130285	Undefined_Bond_Stereo_Count	0
64184	Non-hydrogen_Atom_Count	12
12340	Mono_Isotopic_Weight	88.088815002
10931397	TPSA	34.5
54438	Defined_Bond_Stereo_Count	0
22349965	Undefined_Bond_Stereo_Count	0
16219567	Molecular_Weight	342.30
37464	Hydrogen_Bond_Donor_Count	2
50561	Undefined_Atom_Stereo_Count	0
134688043	Hydrogen_Bond_Donor_Count	4
79441	Total_Formal_Charge	0
4068533	Molecular_Weight	94.04
147336409	Hydrogen_Bond_Acceptor_Count	0
65770	XLogP3	3.4
20054871	Rotatable_Bond_Count	7
2336	Defined_Atom_Stereo_Count	0
43295	Non-hydrogen_Atom_Count	23
6634	Mono_Isotopic_Weight	284.0134744
53462828	Structure_Complexity	822
69705	Isotope_Atom_Count	0
54758405	Total_Formal_Charge	0
8336	Undefined_Atom_Stereo_Count	0
292925	Defined_Atom_Stereo_Count	0
21721513	XLogP3-AA	1.9
11378472	Hydrogen_Bond_Donor_Count	2
66571	Non-hydrogen_Atom_Count	21
8942	Molecular_Weight	240.30
15050	Molecular_Weight	120.15
15032799	TPSA	9.2
67180	Hydrogen_Bond_Acceptor_Count	2
10028615	Exact_Mass	492.24243570
9793735	Molecular_Weight	115.17
14944610	Hydrogen_Bond_Donor_Count	2
56638112	XLogP3-AA	2.9
129669570	TPSA	125
15586	Hydrogen_Bond_Donor_Count	0
43157	Covalent_Unit_Count	1
129789506	Structure_Complexity	126
57467561	TPSA	18.5
11418	Covalent_Unit_Count	1
102590130	Total_Formal_Charge	0
23403	Molecular_Weight	294.5
53708664	Defined_Bond_Stereo_Count	0
121732	XLogP3-AA	1.4
16204922	Molecular_Weight	330.3
72959169	Molecular_Weight	516.6
12743036	Defined_Bond_Stereo_Count	0
67431	Defined_Atom_Stereo_Count	0
9777579	Non-hydrogen_Atom_Count	30
16682834	Covalent_Unit_Count	1
12082259	XLogP3-AA	4.3
287442	TPSA	148
97702695	Hydrogen_Bond_Donor_Count	2
3034022	Mono_Isotopic_Weight	770.26687344
11545958	Defined_Atom_Stereo_Count	0
58265178	Covalent_Unit_Count	1
524270	Defined_Bond_Stereo_Count	0
135400184	TPSA	106
11170949	Hydrogen_Bond_Acceptor_Count	2
90864	Non-hydrogen_Atom_Count	20
74325	XLogP3	1.3
156328	Molecular_Weight	402.5
73658	Exact_Mass	811.47314329
6942	Isotope_Atom_Count	0
505	Mono_Isotopic_Weight	354.05766507
166486721	Structure_Complexity	121
5281437	Total_Formal_Charge	0
10708	Tautomer_Count	1
518818	Total_Formal_Charge	0
4566	Undefined_Bond_Stereo_Count	0
275903	Hydrogen_Bond_Donor_Count	0
135465077	Isotope_Atom_Count	0
3794	Defined_Bond_Stereo_Count	0
31256	Tautomer_Count	6
24848783	TPSA	93.1
53432920	Mono_Isotopic_Weight	96.093900383
65987055	Exact_Mass	99.068413911
53674	Structure_Complexity	328
3083540	Undefined_Atom_Stereo_Count	1
45357473	Hydrogen_Bond_Donor_Count	0
31348	Defined_Atom_Stereo_Count	0
43471	Exact_Mass	165.078978594
940892	Covalent_Unit_Count	1
98043896	Total_Formal_Charge	0
18467	Rotatable_Bond_Count	1
24714	Hydrogen_Bond_Donor_Count	6
4121	Rotatable_Bond_Count	2
28080	Total_Formal_Charge	0
8418	Mono_Isotopic_Weight	178.078250319
58247643	Rotatable_Bond_Count	1
57371080	Hydrogen_Bond_Donor_Count	0
300312	Hydrogen_Bond_Acceptor_Count	1
12960	TPSA	151
32184	TPSA	90.5
69504120	Defined_Atom_Stereo_Count	0
4216510	TPSA	223
5353788	Undefined_Atom_Stereo_Count	0
237662	Total_Formal_Charge	0
86739056	Mono_Isotopic_Weight	346.0100290
28060	Rotatable_Bond_Count	8
5484736	Molecular_Weight	389.4
130957284	Hydrogen_Bond_Acceptor_Count	2
101254312	Defined_Atom_Stereo_Count	5
2734941	Rotatable_Bond_Count	4
637939	Hydrogen_Bond_Acceptor_Count	1
19001	Tautomer_Count	1
9547261	Rotatable_Bond_Count	5
9548687	Total_Formal_Charge	0
95162416	Hydrogen_Bond_Donor_Count	8
136705145	Rotatable_Bond_Count	5
162342152	Non-hydrogen_Atom_Count	8
4354	Exact_Mass	260.94017
5719	Isotope_Atom_Count	0
25058186	Rotatable_Bond_Count	2
85999939	Mono_Isotopic_Weight	107.073499291
105426980	Covalent_Unit_Count	1
21130160	Non-hydrogen_Atom_Count	8
25058173	Isotope_Atom_Count	0
89976681	Defined_Bond_Stereo_Count	0
9933415	Isotope_Atom_Count	0
535623	Exact_Mass	86.073164938
516910	Structure_Complexity	13.5
163600703	Molecular_Weight	113.16
2713	Defined_Bond_Stereo_Count	0
135408658	Rotatable_Bond_Count	3
16007393	Tautomer_Count	34
138924	Non-hydrogen_Atom_Count	7
98930	Hydrogen_Bond_Donor_Count	0
20493118	Isotope_Atom_Count	0
545127	Covalent_Unit_Count	1
146159220	Covalent_Unit_Count	1
42552697	Rotatable_Bond_Count	4
444030	Undefined_Atom_Stereo_Count	0
282518	Undefined_Bond_Stereo_Count	0
16129616	Molecular_Weight	3431.9
81867	Isotope_Atom_Count	0
5008	Defined_Bond_Stereo_Count	0
3000	Rotatable_Bond_Count	2
119083105	Isotope_Atom_Count	0
6918405	Undefined_Atom_Stereo_Count	0
5281969	Molecular_Weight	347.5
454	Hydrogen_Bond_Acceptor_Count	1
6977134	Non-hydrogen_Atom_Count	14
7685	Hydrogen_Bond_Acceptor_Count	2
68741938	Exact_Mass	559.31341002
91861230	Molecular_Weight	342.30
21721513	Structure_Complexity	147
5475158	Defined_Atom_Stereo_Count	0
9949648	Covalent_Unit_Count	1
139062015	Non-hydrogen_Atom_Count	21
4678317	Undefined_Bond_Stereo_Count	0
16760153	TPSA	43.4
23182417	Hydrogen_Bond_Donor_Count	1
721947	Exact_Mass	332.9838118
23167	Tautomer_Count	1
566849	Exact_Mass	168.09727168
10384666	Hydrogen_Bond_Acceptor_Count	4
123745949	Rotatable_Bond_Count	2
17856473	Structure_Complexity	126
53364510	Covalent_Unit_Count	1
4268635	Defined_Bond_Stereo_Count	0
10989	Exact_Mass	158.167065321
75091	Defined_Bond_Stereo_Count	0
53723270	Undefined_Atom_Stereo_Count	0
58664	Molecular_Weight	319.74
135456058	Mono_Isotopic_Weight	516.16787042
13360	Undefined_Bond_Stereo_Count	0
210	Molecular_Weight	674.6
135431272	Hydrogen_Bond_Donor_Count	2
6917880	Defined_Atom_Stereo_Count	9
6240	Hydrogen_Bond_Acceptor_Count	3
22737404	Defined_Bond_Stereo_Count	0
10313457	Tautomer_Count	1
82295	TPSA	142
119584	Non-hydrogen_Atom_Count	29
67543	Hydrogen_Bond_Acceptor_Count	16
520913	Isotope_Atom_Count	0
824336	Rotatable_Bond_Count	5
456255	Structure_Complexity	777
129009953	Exact_Mass	213.0750129
28610	Defined_Bond_Stereo_Count	0
141103237	Undefined_Atom_Stereo_Count	2
41867	Mono_Isotopic_Weight	543.17406074
4590704	Non-hydrogen_Atom_Count	14
3531736	Hydrogen_Bond_Donor_Count	3
12336279	TPSA	15.6
45085092	Covalent_Unit_Count	1
2146	Mono_Isotopic_Weight	74.059246208
160368576	Hydrogen_Bond_Donor_Count	1
45040320	Covalent_Unit_Count	1
6474320	Tautomer_Count	998
62341	Molecular_Weight	164.20
5497163	Isotope_Atom_Count	0
129634850	Isotope_Atom_Count	0
14852098	Hydrogen_Bond_Acceptor_Count	2
54419673	Hydrogen_Bond_Donor_Count	1
10017965	Undefined_Bond_Stereo_Count	0
5482	Defined_Atom_Stereo_Count	0
9115	Undefined_Atom_Stereo_Count	0
134693946	Defined_Atom_Stereo_Count	11
4036	Undefined_Bond_Stereo_Count	0
4149208	Mono_Isotopic_Weight	199.169804972
18314506	Molecular_Weight	97.07
6946681	Covalent_Unit_Count	1
10909515	Rotatable_Bond_Count	1
190291	Defined_Atom_Stereo_Count	0
22401764	Isotope_Atom_Count	0
7790	XLogP3-AA	2.4
98266	Exact_Mass	130.135765193
7237253	Non-hydrogen_Atom_Count	27
27934	Defined_Atom_Stereo_Count	0
19604021	Undefined_Bond_Stereo_Count	0
9818306	Structure_Complexity	476
15981450	Hydrogen_Bond_Donor_Count	2
2758725	Undefined_Bond_Stereo_Count	0
17860	Hydrogen_Bond_Donor_Count	0
10891	Non-hydrogen_Atom_Count	9
72286622	Isotope_Atom_Count	0
6925	Covalent_Unit_Count	1
439423	Isotope_Atom_Count	0
281	Undefined_Atom_Stereo_Count	0
29656	XLogP3-AA	1.7
831	Hydrogen_Bond_Donor_Count	3
22754629	XLogP3-AA	0.5
219357	Undefined_Bond_Stereo_Count	0
66972027	Hydrogen_Bond_Acceptor_Count	2
135483437	Defined_Bond_Stereo_Count	0
5284361	XLogP3-AA	6.7
439278	Tautomer_Count	1
9859094	Molecular_Weight	204.35
65422334	Defined_Bond_Stereo_Count	0
22168978	Molecular_Weight	103.08
215932	Undefined_Atom_Stereo_Count	0
56659408	Undefined_Atom_Stereo_Count	0
129848458	Covalent_Unit_Count	1
54687420	Hydrogen_Bond_Donor_Count	1
151062	Covalent_Unit_Count	1
53441735	TPSA	38.1
4708	Structure_Complexity	433
3036222	Hydrogen_Bond_Acceptor_Count	2
1504	TPSA	98.8
738	Molecular_Weight	146.14
60196271	Covalent_Unit_Count	5
762556	Defined_Bond_Stereo_Count	0
14782182	Molecular_Weight	115.17
3226	TPSA	9.2
24825268	Isotope_Atom_Count	0
7469	Exact_Mass	136.052429494
90643	Rotatable_Bond_Count	0
163727	Undefined_Atom_Stereo_Count	0
688093	Non-hydrogen_Atom_Count	13
5311236	Hydrogen_Bond_Donor_Count	3
131709170	TPSA	476
132274080	XLogP3	4.2
68363	Covalent_Unit_Count	1
9270	Tautomer_Count	1
97747	Non-hydrogen_Atom_Count	18
6632	Defined_Bond_Stereo_Count	0
16687076	Exact_Mass	110.109550447
9912474	Mono_Isotopic_Weight	468.20490738
11243969	Defined_Atom_Stereo_Count	4
57369982	Molecular_Weight	301.25
208832	Rotatable_Bond_Count	7
135418283	Undefined_Atom_Stereo_Count	1
17253	Undefined_Bond_Stereo_Count	0
4279	Undefined_Bond_Stereo_Count	0
3034023	Structure_Complexity	356
19438455	Defined_Bond_Stereo_Count	0
12462026	Covalent_Unit_Count	1
20821286	Undefined_Bond_Stereo_Count	0
3746	Hydrogen_Bond_Acceptor_Count	3
105104	Undefined_Bond_Stereo_Count	0
10351670	Undefined_Bond_Stereo_Count	0
18779169	Non-hydrogen_Atom_Count	8
58375	Exact_Mass	301.16779360
156619446	Mono_Isotopic_Weight	1703.6894156
13265823	Structure_Complexity	185
243521	Rotatable_Bond_Count	2
7054	Hydrogen_Bond_Acceptor_Count	2
7172	Undefined_Atom_Stereo_Count	1
5460700	Defined_Atom_Stereo_Count	0
129890070	Mono_Isotopic_Weight	348.9520720
10976469	Undefined_Bond_Stereo_Count	0
71302984	Defined_Atom_Stereo_Count	0
57392165	Defined_Atom_Stereo_Count	0
24901349	Molecular_Weight	481.6
2253	Hydrogen_Bond_Donor_Count	3
5311498	Defined_Bond_Stereo_Count	3
66503	Non-hydrogen_Atom_Count	32
500	Undefined_Atom_Stereo_Count	0
68027	Isotope_Atom_Count	0
53319118	Isotope_Atom_Count	0
16775060	TPSA	12
3686	Undefined_Bond_Stereo_Count	0
25199807	Mono_Isotopic_Weight	264.034001
3782034	Rotatable_Bond_Count	0
1549107	Isotope_Atom_Count	0
21987892	Isotope_Atom_Count	0
137606	Defined_Atom_Stereo_Count	0
49867938	Structure_Complexity	2330
165359778	Defined_Bond_Stereo_Count	2
13270940	Hydrogen_Bond_Acceptor_Count	1
330654	Rotatable_Bond_Count	1
73829111	XLogP3-AA	1.8
84720	Exact_Mass	266.02913527
36005	Covalent_Unit_Count	2
41257	Defined_Bond_Stereo_Count	0
36324	Exact_Mass	293.189197746
36242	Total_Formal_Charge	0
444764	Exact_Mass	209.03242232
57445155	Exact_Mass	102.068079557
102692	TPSA	9.2
607248	Structure_Complexity	161
693050	Defined_Atom_Stereo_Count	1
123228414	Hydrogen_Bond_Donor_Count	1
3971	XLogP3-AA	2.8
10176229	Total_Formal_Charge	0
58098237	Defined_Atom_Stereo_Count	0
118540789	Molecular_Weight	97.16
5813	Tautomer_Count	10
23665647	Isotope_Atom_Count	0
141761	Structure_Complexity	68.4
10333656	Total_Formal_Charge	0
9258	Defined_Atom_Stereo_Count	0
6338	XLogP3-AA	1.5
19083156	TPSA	97.2
133109198	Mono_Isotopic_Weight	748.50852574
78357784	Covalent_Unit_Count	1
5287494	Hydrogen_Bond_Acceptor_Count	3
49091	Defined_Atom_Stereo_Count	0
142	Mono_Isotopic_Weight	251.10183929
82185	Molecular_Weight	115.13
4019563	Mono_Isotopic_Weight	419.97220756
317677	Structure_Complexity	74.6
88525	Undefined_Atom_Stereo_Count	0
6810	Undefined_Atom_Stereo_Count	2
58208	Defined_Atom_Stereo_Count	0
446576	Defined_Bond_Stereo_Count	0
6089	Hydrogen_Bond_Donor_Count	1
37686	Rotatable_Bond_Count	5
2761171	Non-hydrogen_Atom_Count	11
5327159	Covalent_Unit_Count	1
53952865	Defined_Atom_Stereo_Count	0
71226662	Molecular_Weight	465.5
8584	Defined_Bond_Stereo_Count	0
11396600	Rotatable_Bond_Count	7
131204	Rotatable_Bond_Count	6
24866733	Total_Formal_Charge	0
11561538	Defined_Bond_Stereo_Count	0
134694648	Rotatable_Bond_Count	9
12309521	Rotatable_Bond_Count	4
25058167	Hydrogen_Bond_Donor_Count	1
71719561	Defined_Atom_Stereo_Count	0
281478	Defined_Bond_Stereo_Count	0
5336	Undefined_Bond_Stereo_Count	0
124762104	TPSA	190
47024	Tautomer_Count	2
11749	Rotatable_Bond_Count	1
64107	Structure_Complexity	684
67112011	Structure_Complexity	471
12475877	Undefined_Bond_Stereo_Count	0
3083542	Exact_Mass	400.26135963
143060	Undefined_Atom_Stereo_Count	0
134460917	TPSA	107
20653386	Molecular_Weight	108.14
856	Molecular_Weight	426.7
2734243	Rotatable_Bond_Count	7
114835	Non-hydrogen_Atom_Count	8
23675746	Undefined_Atom_Stereo_Count	3
17816	Total_Formal_Charge	0
44146693	Hydrogen_Bond_Acceptor_Count	6
20793238	Undefined_Atom_Stereo_Count	0
2243	Defined_Bond_Stereo_Count	0
352114	Defined_Atom_Stereo_Count	0
122316	Structure_Complexity	212
3153	Covalent_Unit_Count	1
19871	XLogP3-AA	2.2
4431056	Non-hydrogen_Atom_Count	8
12648279	Hydrogen_Bond_Donor_Count	0
10307853	Covalent_Unit_Count	1
87886	Rotatable_Bond_Count	3
10087998	XLogP3	3.5
102426204	Exact_Mass	416.32904526
15086461	Exact_Mass	108.068748264
77807	Non-hydrogen_Atom_Count	16
9826358	Defined_Atom_Stereo_Count	7
5361917	Covalent_Unit_Count	2
138579	Defined_Atom_Stereo_Count	0
6554	Undefined_Atom_Stereo_Count	1
2435	Rotatable_Bond_Count	2
11232	Isotope_Atom_Count	0
123187306	TPSA	0
14809959	Isotope_Atom_Count	0
5280970	Tautomer_Count	1
19736124	Isotope_Atom_Count	0
17435	Mono_Isotopic_Weight	320.03058836
15677238	Undefined_Bond_Stereo_Count	0
12715	Isotope_Atom_Count	0
642132	Undefined_Bond_Stereo_Count	0
5687	Molecular_Weight	297.31
11698194	Undefined_Bond_Stereo_Count	0
564654	Hydrogen_Bond_Donor_Count	0
54493752	Covalent_Unit_Count	1
439233	Total_Formal_Charge	0
411312	XLogP3-AA	2.8
10912274	Mono_Isotopic_Weight	260.00481
87517	XLogP3-AA	3
74496	Total_Formal_Charge	0
10161381	Defined_Bond_Stereo_Count	0
469717	Undefined_Bond_Stereo_Count	0
19884375	Defined_Atom_Stereo_Count	0
16721	Hydrogen_Bond_Acceptor_Count	6
5311504	Structure_Complexity	963
6436158	Hydrogen_Bond_Donor_Count	3
4409	XLogP3	3.1
24972774	Molecular_Weight	111.14
66587385	Total_Formal_Charge	0
34766	Structure_Complexity	199
39650	Undefined_Atom_Stereo_Count	0
23688461	Isotope_Atom_Count	0
5934	Mono_Isotopic_Weight	239.142247555
73707358	Isotope_Atom_Count	0
51763	TPSA	62.4
21672	XLogP3	5.5
5311167	Total_Formal_Charge	0
53486288	Undefined_Atom_Stereo_Count	1
12480	Undefined_Atom_Stereo_Count	0
524215	Mono_Isotopic_Weight	106.078250319
7715	Isotope_Atom_Count	0
15439201	Molecular_Weight	109.13
21411178	Hydrogen_Bond_Acceptor_Count	4
45157716	Hydrogen_Bond_Donor_Count	5
150841	Total_Formal_Charge	0
448837	Defined_Atom_Stereo_Count	8
61922	Non-hydrogen_Atom_Count	7
15178986	Molecular_Weight	109.13
647	Rotatable_Bond_Count	5
56330	Mono_Isotopic_Weight	417.22637110
20695	Rotatable_Bond_Count	0
22386086	Exact_Mass	115.063328530
171409	Non-hydrogen_Atom_Count	85
346	Non-hydrogen_Atom_Count	19
485083	Structure_Complexity	78.1
86305	Undefined_Bond_Stereo_Count	0
21537140	Isotope_Atom_Count	0
155346	Exact_Mass	287.16337692
14555267	Hydrogen_Bond_Donor_Count	1
32241	Covalent_Unit_Count	1
6194	Structure_Complexity	288
53316418	Hydrogen_Bond_Donor_Count	0
70390	XLogP3-AA	3.9
18200	XLogP3-AA	0.4
11020241	Defined_Atom_Stereo_Count	2
14786610	Defined_Bond_Stereo_Count	0
20739	Molecular_Weight	142.24
5358	Hydrogen_Bond_Donor_Count	2
79059	TPSA	42.5
61254	Hydrogen_Bond_Acceptor_Count	3
85844257	TPSA	0
47354	Undefined_Atom_Stereo_Count	1
12757499	Total_Formal_Charge	0
19347790	Rotatable_Bond_Count	0
77232	Defined_Atom_Stereo_Count	0
17754438	Covalent_Unit_Count	1
25271790	Rotatable_Bond_Count	7
2733532	Hydrogen_Bond_Acceptor_Count	6
101694728	Undefined_Bond_Stereo_Count	0
134812477	Hydrogen_Bond_Donor_Count	4
91230338	Mono_Isotopic_Weight	110.109550447
5508	Covalent_Unit_Count	1
16219371	Rotatable_Bond_Count	4
2097895	Undefined_Bond_Stereo_Count	0
158798	Mono_Isotopic_Weight	363.13479319
76198	Rotatable_Bond_Count	3
8561	Tautomer_Count	1
688563	Hydrogen_Bond_Acceptor_Count	4
170472	Hydrogen_Bond_Donor_Count	2
6866	Exact_Mass	196.9799046
5281404	Isotope_Atom_Count	0
87251056	XLogP3-AA	0.3
978766	Rotatable_Bond_Count	5
133967	Tautomer_Count	2
71221	Hydrogen_Bond_Donor_Count	1
24705318	Undefined_Atom_Stereo_Count	0
9417	Hydrogen_Bond_Acceptor_Count	4
84715999	Rotatable_Bond_Count	1
8795	Mono_Isotopic_Weight	129.126597491
134767951	Exact_Mass	303.14705815
5948958	Hydrogen_Bond_Donor_Count	1
629	Mono_Isotopic_Weight	423.18663154
20823	Hydrogen_Bond_Donor_Count	1
5287468	Defined_Bond_Stereo_Count	0
18698	Rotatable_Bond_Count	3
8340	Exact_Mass	353.12632271
74889149	Mono_Isotopic_Weight	113.084063974
112042	TPSA	35.5
21894213	TPSA	38.8
316797	Defined_Atom_Stereo_Count	0
942	Undefined_Atom_Stereo_Count	1
5288595	Hydrogen_Bond_Acceptor_Count	9
19098324	Defined_Atom_Stereo_Count	0
10404073	Hydrogen_Bond_Acceptor_Count	3
11481426	Defined_Bond_Stereo_Count	0
121755	Non-hydrogen_Atom_Count	7
61048	Rotatable_Bond_Count	4
312145	Undefined_Bond_Stereo_Count	0
70991	Molecular_Weight	180.20
13195837	Undefined_Atom_Stereo_Count	2
28060	Isotope_Atom_Count	0
9919001	Structure_Complexity	507
4122	Defined_Bond_Stereo_Count	0
15209693	Covalent_Unit_Count	1
14799282	Defined_Atom_Stereo_Count	0
21184953	Undefined_Bond_Stereo_Count	0
21889252	Mono_Isotopic_Weight	112.016043985
57662	Covalent_Unit_Count	1
40428945	Undefined_Atom_Stereo_Count	0
54676228	Rotatable_Bond_Count	2
9792	Non-hydrogen_Atom_Count	28
135564847	Hydrogen_Bond_Donor_Count	8
22020761	Exact_Mass	116.083729621
52942581	Hydrogen_Bond_Acceptor_Count	3
11067463	Structure_Complexity	421
17937355	TPSA	29.5
143291	Total_Formal_Charge	0
14939066	Isotope_Atom_Count	0
5667	Rotatable_Bond_Count	10
5464265	Covalent_Unit_Count	1
3085218	Exact_Mass	265.157897619
222199	Structure_Complexity	208
5364920	Undefined_Bond_Stereo_Count	0
11181836	Undefined_Bond_Stereo_Count	0
56665390	Defined_Bond_Stereo_Count	0
6538982	Defined_Atom_Stereo_Count	0
54007	XLogP3	2.7
53903478	Defined_Bond_Stereo_Count	0
10892	Hydrogen_Bond_Donor_Count	0
62328	Structure_Complexity	264
1615208	Rotatable_Bond_Count	2
1696	Molecular_Weight	202.19
16322	Non-hydrogen_Atom_Count	13
17520	Non-hydrogen_Atom_Count	10
16051586	Hydrogen_Bond_Donor_Count	2
102258	Covalent_Unit_Count	1
6390	Mono_Isotopic_Weight	149.886454
3282	Molecular_Weight	165.19
67899	Undefined_Atom_Stereo_Count	0
14964443	Non-hydrogen_Atom_Count	7
9954739	Total_Formal_Charge	0
7045767	XLogP3-AA	0.4
102752	TPSA	17.1
7048801	Structure_Complexity	139
168447	Tautomer_Count	1
44593340	Undefined_Bond_Stereo_Count	0
610169	Mono_Isotopic_Weight	204.92939
44563116	Hydrogen_Bond_Donor_Count	1
165411817	Exact_Mass	774.27732385
122173799	Defined_Bond_Stereo_Count	0
162807	Rotatable_Bond_Count	0
5494425	Defined_Atom_Stereo_Count	0
5281727	Non-hydrogen_Atom_Count	19
282752	Undefined_Bond_Stereo_Count	0
75646	TPSA	26
29911	Molecular_Weight	828.5
6418362	XLogP3-AA	2.7
20337519	Mono_Isotopic_Weight	86.084398327
52921886	Undefined_Atom_Stereo_Count	0
4369	TPSA	110
11100989	Defined_Atom_Stereo_Count	0
145325785	Covalent_Unit_Count	1
156963289	Rotatable_Bond_Count	6
6166	XLogP3	2.9
16197725	Tautomer_Count	986
55261	Undefined_Atom_Stereo_Count	0
3331	Undefined_Atom_Stereo_Count	0
10796703	Isotope_Atom_Count	0
24750	Tautomer_Count	1
24984	Tautomer_Count	1
13662	TPSA	37.4
9089	TPSA	18.5
123297087	Rotatable_Bond_Count	0
22022636	Rotatable_Bond_Count	0
419186	Covalent_Unit_Count	1
86656004	Rotatable_Bond_Count	2
55286482	Non-hydrogen_Atom_Count	8
5459361	Rotatable_Bond_Count	42
86510	Rotatable_Bond_Count	0
146158974	Defined_Bond_Stereo_Count	0
4460503	Mono_Isotopic_Weight	285.96058025
72521	Tautomer_Count	15
12744	TPSA	0
17764882	Molecular_Weight	116.12
5281394	Undefined_Bond_Stereo_Count	0
59886072	Undefined_Bond_Stereo_Count	0
124635203	TPSA	190
141210311	Mono_Isotopic_Weight	116.047344113
54886	Hydrogen_Bond_Acceptor_Count	7
6222	Covalent_Unit_Count	1
403804	Isotope_Atom_Count	0
7762	XLogP3-AA	1.3
2759227	Covalent_Unit_Count	1
9568077	Exact_Mass	313.1193192
18779032	Hydrogen_Bond_Donor_Count	4
13814319	Structure_Complexity	53.2
11378454	Defined_Bond_Stereo_Count	0
32719	Tautomer_Count	1
15580	Molecular_Weight	277.14
4662	Undefined_Atom_Stereo_Count	8
14081	Molecular_Weight	110.16
145731381	Rotatable_Bond_Count	13
68940	Structure_Complexity	685
3032732	Rotatable_Bond_Count	9
10740	Structure_Complexity	160
52941462	Hydrogen_Bond_Donor_Count	1
62770	Molecular_Weight	564.0
443380	Undefined_Bond_Stereo_Count	0
182139	Tautomer_Count	1
88495127	Exact_Mass	122.00376522
12729	Undefined_Atom_Stereo_Count	0
93115	XLogP3-AA	12.8
93205	Molecular_Weight	385.4
7941	XLogP3	3.7
12285869	Exact_Mass	180.06338810
135968625	Mono_Isotopic_Weight	876.45207349
4724212	Structure_Complexity	67.5
2724640	Undefined_Atom_Stereo_Count	0
131704328	Non-hydrogen_Atom_Count	26
171375	Mono_Isotopic_Weight	196.06129390
14197638	Non-hydrogen_Atom_Count	8
5281877	Hydrogen_Bond_Acceptor_Count	8
12243	Non-hydrogen_Atom_Count	6
2534	Molecular_Weight	1009.2
27290	XLogP3-AA	0.6
16683028	Isotope_Atom_Count	0
23675321	Total_Formal_Charge	0
141869079	Non-hydrogen_Atom_Count	7
78485	Total_Formal_Charge	0
1241301	Isotope_Atom_Count	0
3400	Undefined_Atom_Stereo_Count	0
21576696	Rotatable_Bond_Count	9
93077	Undefined_Atom_Stereo_Count	0
33443	Non-hydrogen_Atom_Count	16
49864603	Mono_Isotopic_Weight	374.1309671
9984441	Exact_Mass	529.21726296
8133	TPSA	29.5
5877292	Molecular_Weight	190.24
11597	Undefined_Atom_Stereo_Count	0
21497	Exact_Mass	157.04221642
62380	Defined_Atom_Stereo_Count	0
59665407	Isotope_Atom_Count	0
10937607	Molecular_Weight	108.18
135398645	Isotope_Atom_Count	0
56670034	Mono_Isotopic_Weight	453.20524173
56945145	Undefined_Bond_Stereo_Count	0
16590	Non-hydrogen_Atom_Count	8
456468	Structure_Complexity	93.1
6419536	Mono_Isotopic_Weight	240.137496527
72518	Undefined_Bond_Stereo_Count	0
22348659	Isotope_Atom_Count	0
824060	Undefined_Bond_Stereo_Count	0
559740	Tautomer_Count	1
11762	Hydrogen_Bond_Donor_Count	2
760021	Exact_Mass	229.110278721
5709	Covalent_Unit_Count	1
80009	Mono_Isotopic_Weight	99.104799419
11633038	Isotope_Atom_Count	0
5462222	Covalent_Unit_Count	1
72823181	Covalent_Unit_Count	1
10163178	XLogP3-AA	3.6
9984487	Hydrogen_Bond_Acceptor_Count	8
53808	Undefined_Bond_Stereo_Count	0
81653	Non-hydrogen_Atom_Count	7
8362	Rotatable_Bond_Count	3
136120826	Non-hydrogen_Atom_Count	7
137705114	Defined_Bond_Stereo_Count	0
15529	Isotope_Atom_Count	0
16218793	TPSA	74.8
698851	Total_Formal_Charge	0
68840	Exact_Mass	237.151749610
45972	Hydrogen_Bond_Acceptor_Count	2
67273	Isotope_Atom_Count	0
222155	XLogP3	0.8
520660	Covalent_Unit_Count	1
64648	Tautomer_Count	1
4736391	Hydrogen_Bond_Donor_Count	0
6983	Non-hydrogen_Atom_Count	12
67128499	Hydrogen_Bond_Donor_Count	2
13382	Undefined_Bond_Stereo_Count	0
10823	TPSA	12.9
89082395	Covalent_Unit_Count	1
65422334	Isotope_Atom_Count	0
13086	Defined_Atom_Stereo_Count	0
44577611	Hydrogen_Bond_Donor_Count	0
541623	Mono_Isotopic_Weight	117.078978594
91442807	Isotope_Atom_Count	0
324814	Rotatable_Bond_Count	4
65506	Covalent_Unit_Count	5
138394518	Covalent_Unit_Count	1
67548	Isotope_Atom_Count	0
9960569	Hydrogen_Bond_Acceptor_Count	10
12731218	Hydrogen_Bond_Acceptor_Count	1
135398559	Undefined_Bond_Stereo_Count	0
5587	Undefined_Bond_Stereo_Count	0
56848	Non-hydrogen_Atom_Count	29
657306	Hydrogen_Bond_Acceptor_Count	4
11769	XLogP3	3.9
110976	Molecular_Weight	254.41
97815	Molecular_Weight	96.13
39912	TPSA	37.3
3710	Defined_Bond_Stereo_Count	0
77487	Rotatable_Bond_Count	4
10337	Defined_Atom_Stereo_Count	0
20426485	Rotatable_Bond_Count	3
8365	Hydrogen_Bond_Acceptor_Count	3
95380	Undefined_Atom_Stereo_Count	1
17860889	Undefined_Atom_Stereo_Count	0
13492441	Molecular_Weight	109.13
11321894	Covalent_Unit_Count	1
914	TPSA	65.1
152109	Hydrogen_Bond_Acceptor_Count	11
44629456	Hydrogen_Bond_Donor_Count	6
21907926	XLogP3-AA	0.8
52161	Exact_Mass	71.073499291
32184	Total_Formal_Charge	0
13772685	Non-hydrogen_Atom_Count	11
523	Defined_Atom_Stereo_Count	0
11230	Molecular_Weight	154.25
359	Non-hydrogen_Atom_Count	9
428	Covalent_Unit_Count	1
94179	Undefined_Atom_Stereo_Count	0
46201499	Structure_Complexity	66.6
5364714	Tautomer_Count	1
6917656	Undefined_Bond_Stereo_Count	0
10668284	Defined_Atom_Stereo_Count	0
58655	Rotatable_Bond_Count	3
129774195	Total_Formal_Charge	0
10278	Defined_Bond_Stereo_Count	0
3009	Defined_Atom_Stereo_Count	0
2650	Exact_Mass	546.09913941
163432987	Isotope_Atom_Count	0
101100163	Molecular_Weight	235.28
23684696	Defined_Atom_Stereo_Count	0
4712993	Hydrogen_Bond_Donor_Count	0
10683	Hydrogen_Bond_Acceptor_Count	3
480242	Hydrogen_Bond_Donor_Count	2
85939688	Total_Formal_Charge	0
17714	Hydrogen_Bond_Acceptor_Count	3
37524	Mono_Isotopic_Weight	156.162648646
9868219	Rotatable_Bond_Count	12
863	Undefined_Bond_Stereo_Count	0
23397	Hydrogen_Bond_Acceptor_Count	2
107905	Total_Formal_Charge	0
119489	Rotatable_Bond_Count	2
4231972	TPSA	59.1
445969	Defined_Bond_Stereo_Count	0
6420130	Defined_Atom_Stereo_Count	2
53340426	Covalent_Unit_Count	1
10254	Defined_Atom_Stereo_Count	0
21538770	Mono_Isotopic_Weight	102.068079557
18062	Molecular_Weight	194.27
107908	Structure_Complexity	8
536113	Undefined_Bond_Stereo_Count	0
145019560	Total_Formal_Charge	0
5283335	Non-hydrogen_Atom_Count	10
11137	Non-hydrogen_Atom_Count	10
66282	Total_Formal_Charge	0
15561101	Hydrogen_Bond_Donor_Count	1
11386	Structure_Complexity	132
15575641	Defined_Bond_Stereo_Count	0
12293	Hydrogen_Bond_Acceptor_Count	2
9895193	Total_Formal_Charge	0
21136466	Total_Formal_Charge	0
10157484	Mono_Isotopic_Weight	394.22564282
27982	Rotatable_Bond_Count	2
53779803	Rotatable_Bond_Count	1
10047003	Non-hydrogen_Atom_Count	28
54685047	Defined_Atom_Stereo_Count	5
9548637	Molecular_Weight	406.5
23655	Non-hydrogen_Atom_Count	21
565623	Undefined_Bond_Stereo_Count	0
23270355	Hydrogen_Bond_Donor_Count	1
5287596	Non-hydrogen_Atom_Count	31
23677058	Structure_Complexity	384
20294925	Isotope_Atom_Count	0
3375	Isotope_Atom_Count	0
8395	Molecular_Weight	324.3
13625	Defined_Bond_Stereo_Count	0
142106	Molecular_Weight	98.10
84081255	Covalent_Unit_Count	1
60837	Non-hydrogen_Atom_Count	47
85047	Defined_Atom_Stereo_Count	0
5380976	Non-hydrogen_Atom_Count	19
78225435	Defined_Atom_Stereo_Count	3
5460024	Isotope_Atom_Count	0
12711588	Undefined_Bond_Stereo_Count	0
70789955	Defined_Bond_Stereo_Count	0
129864896	Exact_Mass	109.063997236
16134267	XLogP3-AA	6.2
107751	XLogP3-AA	3.3
13930075	Undefined_Atom_Stereo_Count	2
59503411	Rotatable_Bond_Count	1
131751341	Isotope_Atom_Count	0
53232849	Molecular_Weight	99.13
9904	Undefined_Atom_Stereo_Count	0
70060	Molecular_Weight	320.16
137673	Rotatable_Bond_Count	4
45381640	Undefined_Atom_Stereo_Count	0
588860	Rotatable_Bond_Count	2
75931	Undefined_Atom_Stereo_Count	0
93922	Isotope_Atom_Count	0
8584	Isotope_Atom_Count	0
11861720	Rotatable_Bond_Count	1
95292	Rotatable_Bond_Count	1
3554	Mono_Isotopic_Weight	783.29064583
135398560	TPSA	204
69589310	Defined_Atom_Stereo_Count	0
135396228	Hydrogen_Bond_Acceptor_Count	3
12656387	Undefined_Bond_Stereo_Count	0
6917662	Hydrogen_Bond_Donor_Count	2
274730	Hydrogen_Bond_Donor_Count	3
13871872	Undefined_Bond_Stereo_Count	0
2777083	Molecular_Weight	126.08
527855	TPSA	12.5
5273569	Undefined_Atom_Stereo_Count	0
4604	TPSA	108
441934	Molecular_Weight	933.1
47027	Hydrogen_Bond_Acceptor_Count	1
72924	Mono_Isotopic_Weight	139.026943022
70769	Covalent_Unit_Count	1
22873	Defined_Atom_Stereo_Count	0
12668	Rotatable_Bond_Count	0
75908	Undefined_Atom_Stereo_Count	0
44455234	Hydrogen_Bond_Donor_Count	4
154730852	Structure_Complexity	1230
11226	Hydrogen_Bond_Donor_Count	1
42094	Undefined_Atom_Stereo_Count	1
129514	Molecular_Weight	431.32
18368760	XLogP3-AA	0.4
10250	Undefined_Atom_Stereo_Count	0
70690020	TPSA	68.2
85924947	Defined_Bond_Stereo_Count	0
23667639	Undefined_Atom_Stereo_Count	0
44339136	Mono_Isotopic_Weight	513.1158910
73885	Non-hydrogen_Atom_Count	7
47462	Undefined_Atom_Stereo_Count	0
3775	Mono_Isotopic_Weight	353.259288680
12285822	Rotatable_Bond_Count	3
907504	Rotatable_Bond_Count	0
91573287	Undefined_Atom_Stereo_Count	0
5277135	Hydrogen_Bond_Donor_Count	2
401234	Total_Formal_Charge	0
11051610	XLogP3-AA	0.2
104766	Covalent_Unit_Count	1
57395613	Isotope_Atom_Count	0
11326928	Defined_Bond_Stereo_Count	0
9919910	Structure_Complexity	2080
17277	TPSA	92.8
19892314	Defined_Atom_Stereo_Count	0
69149458	Undefined_Bond_Stereo_Count	0
61253	Hydrogen_Bond_Donor_Count	3
53983207	Undefined_Bond_Stereo_Count	1
76223588	Total_Formal_Charge	0
131709225	Mono_Isotopic_Weight	908.38775915
6674	XLogP3-AA	2.6
14416506	Total_Formal_Charge	0
524955	Non-hydrogen_Atom_Count	8
10197702	Defined_Atom_Stereo_Count	0
5367460	Exact_Mass	306.255880323
4343483	Mono_Isotopic_Weight	109.9926871
137724	Tautomer_Count	1
6918155	Non-hydrogen_Atom_Count	39
7419	Tautomer_Count	3
24781	Hydrogen_Bond_Donor_Count	1
73951506	Defined_Atom_Stereo_Count	1
96780	Structure_Complexity	203
13529	XLogP3	1.7
19259	Total_Formal_Charge	0
86467	Defined_Bond_Stereo_Count	0
1417	Hydrogen_Bond_Donor_Count	0
14322	Hydrogen_Bond_Donor_Count	1
5281416	Hydrogen_Bond_Donor_Count	2
193504	Mono_Isotopic_Weight	102.115698455
9128	Defined_Atom_Stereo_Count	0
33934	Non-hydrogen_Atom_Count	28
12301251	Isotope_Atom_Count	0
14523483	Undefined_Bond_Stereo_Count	0
10954241	Hydrogen_Bond_Acceptor_Count	6
67505	Molecular_Weight	136.18
443956	Hydrogen_Bond_Donor_Count	10
90431674	Defined_Bond_Stereo_Count	0
33038	Isotope_Atom_Count	0
6161490	Structure_Complexity	234
81097	Mono_Isotopic_Weight	173.0243562
10297008	Hydrogen_Bond_Acceptor_Count	9
9793705	Non-hydrogen_Atom_Count	7
214339	Mono_Isotopic_Weight	352.9614950
17776820	Defined_Bond_Stereo_Count	0
6604100	Defined_Bond_Stereo_Count	1
59742	Structure_Complexity	527
3926	Mono_Isotopic_Weight	491.27481907
5423	Undefined_Atom_Stereo_Count	1
17673	Defined_Atom_Stereo_Count	0
117736505	Molecular_Weight	106.12
12529300	TPSA	26
3372016	Molecular_Weight	524.7
518966	Covalent_Unit_Count	1
9955116	Non-hydrogen_Atom_Count	32
2465	Hydrogen_Bond_Donor_Count	2
47445	Hydrogen_Bond_Donor_Count	2
8121	Undefined_Bond_Stereo_Count	0
5068681	Defined_Atom_Stereo_Count	0
88283211	Undefined_Bond_Stereo_Count	0
4005	Rotatable_Bond_Count	5
752860	Structure_Complexity	391
6488	Tautomer_Count	5
9948	Mono_Isotopic_Weight	196.088815002
20739	Non-hydrogen_Atom_Count	10
97638	Exact_Mass	152.083729621
130000966	Rotatable_Bond_Count	1
76156	Undefined_Bond_Stereo_Count	0
6956	Defined_Atom_Stereo_Count	0
545698	Isotope_Atom_Count	0
1471380	Hydrogen_Bond_Acceptor_Count	5
5284376	Mono_Isotopic_Weight	269.0407907
71228	Total_Formal_Charge	0
97730	Defined_Atom_Stereo_Count	0
53405	TPSA	74.4
15811016	Mono_Isotopic_Weight	182.018755
68026923	Non-hydrogen_Atom_Count	7
15909	Isotope_Atom_Count	0
3723	Mono_Isotopic_Weight	627.7853
135541258	Tautomer_Count	3
10800	TPSA	112
3086514	Tautomer_Count	1
58407	Isotope_Atom_Count	0
20395	Rotatable_Bond_Count	8
57339238	Molecular_Weight	336.21
22162	Undefined_Atom_Stereo_Count	1
417452	Molecular_Weight	823.0
46783812	Covalent_Unit_Count	5
104799	XLogP3-AA	0.9
53316474	Isotope_Atom_Count	0
21584147	Molecular_Weight	100.12
14256301	XLogP3-AA	0.9
12096001	Structure_Complexity	688
66577114	Molecular_Weight	852.8
21952893	TPSA	1
7778	Undefined_Bond_Stereo_Count	0
22447183	Isotope_Atom_Count	0
21152	Non-hydrogen_Atom_Count	16
66826	Total_Formal_Charge	0
122389028	Mono_Isotopic_Weight	376.15220310
10575614	Hydrogen_Bond_Donor_Count	1
54687772	Defined_Atom_Stereo_Count	1
136257950	XLogP3-AA	4.7
42611257	Defined_Atom_Stereo_Count	0
14218	Hydrogen_Bond_Acceptor_Count	4
140738	Molecular_Weight	114.19
23687810	Covalent_Unit_Count	2
616236	XLogP3-AA	2.3
6564	Covalent_Unit_Count	1
136346	Undefined_Bond_Stereo_Count	0
10189783	Undefined_Bond_Stereo_Count	0
60937	Total_Formal_Charge	0
159374	Hydrogen_Bond_Donor_Count	0
24825253	Undefined_Bond_Stereo_Count	0
11293	TPSA	75.9
51042438	Hydrogen_Bond_Acceptor_Count	6
55288485	Total_Formal_Charge	0
8433	Mono_Isotopic_Weight	224.083729621
98648	Defined_Atom_Stereo_Count	0
12856218	TPSA	135
116701105	Molecular_Weight	104.15
52021	Exact_Mass	409.2172423
23136363	Non-hydrogen_Atom_Count	26
95070	TPSA	66.4
90936519	Rotatable_Bond_Count	15
387179	Isotope_Atom_Count	0
118705485	Structure_Complexity	426
123212370	TPSA	0
59983745	TPSA	29.1
143694905	Undefined_Bond_Stereo_Count	0
2987927	Defined_Atom_Stereo_Count	0
91151945	Exact_Mass	342.11621151
80520	Defined_Atom_Stereo_Count	0
216385	Structure_Complexity	467
60910	Covalent_Unit_Count	1
65115	Defined_Bond_Stereo_Count	0
16043	Mono_Isotopic_Weight	166.099379685
651720	Undefined_Atom_Stereo_Count	0
75472	Mono_Isotopic_Weight	171.162314293
5352837	Rotatable_Bond_Count	5
33473	Hydrogen_Bond_Donor_Count	1
44207128	Hydrogen_Bond_Donor_Count	0
68705	Hydrogen_Bond_Donor_Count	1
129688356	Total_Formal_Charge	0
185226	Molecular_Weight	95.14
43636	Rotatable_Bond_Count	0
68601	Undefined_Bond_Stereo_Count	0
81902	Rotatable_Bond_Count	1
162651	Exact_Mass	79.9377699
54455096	Hydrogen_Bond_Donor_Count	0
77801	Mono_Isotopic_Weight	150.115698455
536111	Hydrogen_Bond_Donor_Count	0
61444	Hydrogen_Bond_Acceptor_Count	11
10869981	XLogP3	3.5
158782	Undefined_Atom_Stereo_Count	0
445480	Non-hydrogen_Atom_Count	31
9574101	Undefined_Bond_Stereo_Count	0
5354499	Isotope_Atom_Count	0
21700	TPSA	107
72693	Structure_Complexity	1020
139044268	Hydrogen_Bond_Acceptor_Count	2
9853053	Undefined_Bond_Stereo_Count	0
137554722	Structure_Complexity	151
65837	Tautomer_Count	4
153627081	Rotatable_Bond_Count	2
118701518	Undefined_Bond_Stereo_Count	0
141096113	Isotope_Atom_Count	0
14723648	Defined_Bond_Stereo_Count	0
884462	Covalent_Unit_Count	1
54691418	Exact_Mass	216.06338810
9935073	Covalent_Unit_Count	1
24849168	Exact_Mass	316.14230712
1979	Mono_Isotopic_Weight	169.110278721
136461	Mono_Isotopic_Weight	66.0469501914
2303651	XLogP3-AA	0.5
292925	Exact_Mass	164.131348519
56658432	Undefined_Atom_Stereo_Count	1
57641	Defined_Bond_Stereo_Count	0
68316842	Covalent_Unit_Count	1
53796209	Hydrogen_Bond_Acceptor_Count	2
6318	Total_Formal_Charge	0
62558	Isotope_Atom_Count	0
688669	Covalent_Unit_Count	1
9817140	Non-hydrogen_Atom_Count	21
67266053	Molecular_Weight	99.17
61892972	Defined_Bond_Stereo_Count	0
10457	TPSA	74.6
3506	Covalent_Unit_Count	1
105075	Defined_Atom_Stereo_Count	0
3182	Defined_Atom_Stereo_Count	0
15277906	Hydrogen_Bond_Donor_Count	2
5362894	Covalent_Unit_Count	1
71305059	Isotope_Atom_Count	0
91819762	Hydrogen_Bond_Acceptor_Count	12
73830	Total_Formal_Charge	0
23723027	Hydrogen_Bond_Donor_Count	0
13057924	Rotatable_Bond_Count	0
44119980	Hydrogen_Bond_Donor_Count	5
234735	Total_Formal_Charge	0
525785	Molecular_Weight	111.14
8112	Isotope_Atom_Count	0
344865	Hydrogen_Bond_Donor_Count	0
21278826	Molecular_Weight	98.15
89416	Defined_Bond_Stereo_Count	0
78012803	Isotope_Atom_Count	0
543047	Total_Formal_Charge	0
65589	Defined_Atom_Stereo_Count	0
5798	Rotatable_Bond_Count	0
692587	XLogP3-AA	4.7
1639804	XLogP3-AA	2.5
15939272	Rotatable_Bond_Count	0
91722674	XLogP3-AA	4.2
22218878	Exact_Mass	83.037113783
141363	Undefined_Atom_Stereo_Count	0
9841	Undefined_Bond_Stereo_Count	0
90429111	Total_Formal_Charge	0
6919175	Undefined_Bond_Stereo_Count	0
7934	Defined_Atom_Stereo_Count	0
3050	Undefined_Bond_Stereo_Count	0
71583274	Hydrogen_Bond_Donor_Count	2
10975460	Structure_Complexity	106
9176	Defined_Bond_Stereo_Count	0
6918336	Defined_Bond_Stereo_Count	0
165151	Molecular_Weight	306.21
15853020	Undefined_Bond_Stereo_Count	0
572086	XLogP3-AA	0.7
19078029	Structure_Complexity	119
53631403	Covalent_Unit_Count	1
5224	Defined_Bond_Stereo_Count	0
4573	Tautomer_Count	1
152821976	Isotope_Atom_Count	0
68616	Covalent_Unit_Count	1
461128	Structure_Complexity	666
9797055	Total_Formal_Charge	0
53387035	Covalent_Unit_Count	1
53320169	Covalent_Unit_Count	1
55509	Defined_Atom_Stereo_Count	0
54936	Mono_Isotopic_Weight	269.940598
13205839	Defined_Atom_Stereo_Count	0
2825062	Non-hydrogen_Atom_Count	41
10066	Mono_Isotopic_Weight	361.875716
2734164	Hydrogen_Bond_Donor_Count	0
118024074	Hydrogen_Bond_Donor_Count	2
24774737	Defined_Bond_Stereo_Count	0
13379149	Tautomer_Count	1
54289557	Undefined_Atom_Stereo_Count	0
9848869	TPSA	143
31205	Hydrogen_Bond_Donor_Count	0
91507903	Hydrogen_Bond_Acceptor_Count	3
403821	Undefined_Atom_Stereo_Count	1
656804	Tautomer_Count	40
638116	Exact_Mass	116.065741536
639420	Defined_Atom_Stereo_Count	0
25072741	Molecular_Weight	431.4
8654	Undefined_Bond_Stereo_Count	0
11547499	TPSA	132
95162413	Mono_Isotopic_Weight	342.11621151
166957	Exact_Mass	196.96721
13293130	XLogP3-AA	0
12339043	Hydrogen_Bond_Acceptor_Count	1
72187524	Defined_Bond_Stereo_Count	2
15969	Tautomer_Count	2
56662035	Non-hydrogen_Atom_Count	37
53822827	Defined_Atom_Stereo_Count	0
54350	Non-hydrogen_Atom_Count	27
1201518	Molecular_Weight	154.25
21455617	Rotatable_Bond_Count	0
43834	Tautomer_Count	1
12021642	TPSA	35.8
12021	Undefined_Atom_Stereo_Count	0
71450703	XLogP3-AA	2.7
2998624	XLogP3-AA	2.5
12037	Mono_Isotopic_Weight	354.13617637
429819	Undefined_Atom_Stereo_Count	0
12374	Mono_Isotopic_Weight	118.099379685
5281912	Non-hydrogen_Atom_Count	24
9961192	Hydrogen_Bond_Acceptor_Count	9
24611	Hydrogen_Bond_Acceptor_Count	0
117616350	Defined_Atom_Stereo_Count	6
12076	Undefined_Bond_Stereo_Count	0
3033943	Undefined_Bond_Stereo_Count	0
344693	Mono_Isotopic_Weight	226.099379685
70523	Total_Formal_Charge	0
1791111	Defined_Bond_Stereo_Count	0
10749156	Molecular_Weight	113.16
18934502	Hydrogen_Bond_Acceptor_Count	2
4041	Defined_Atom_Stereo_Count	0
657238	Hydrogen_Bond_Donor_Count	2
136333	Non-hydrogen_Atom_Count	5
64459	Non-hydrogen_Atom_Count	20
5748551	Exact_Mass	284.06847348
68780878	Mono_Isotopic_Weight	398.17427596
24759	TPSA	400
9823775	Mono_Isotopic_Weight	426.17908655
10931393	Covalent_Unit_Count	1
25263111	Undefined_Bond_Stereo_Count	0
441344	Defined_Bond_Stereo_Count	0
2773450	Hydrogen_Bond_Donor_Count	1
456255	Undefined_Atom_Stereo_Count	0
7048538	Mono_Isotopic_Weight	299.201105100
10994	Total_Formal_Charge	0
130013569	Total_Formal_Charge	0
625305	Undefined_Atom_Stereo_Count	9
1517	XLogP3-AA	7.5
45359047	Mono_Isotopic_Weight	372.24922409
11759286	Structure_Complexity	421
72712745	Covalent_Unit_Count	1
154544	Defined_Atom_Stereo_Count	0
54216748	Rotatable_Bond_Count	2
12344797	Rotatable_Bond_Count	1
16003447	Molecular_Weight	286.29
101008927	Undefined_Atom_Stereo_Count	1
13317841	Molecular_Weight	112.13
8271	Defined_Bond_Stereo_Count	0
12266719	Undefined_Bond_Stereo_Count	0
130124661	Structure_Complexity	79.3
160556	Defined_Bond_Stereo_Count	0
25015694	Undefined_Bond_Stereo_Count	0
79161	TPSA	0
9835303	Hydrogen_Bond_Acceptor_Count	2
135422052	Molecular_Weight	488.5
32816	XLogP3	3.2
23724965	Tautomer_Count	2
20648653	XLogP3-AA	0.9
88267	Rotatable_Bond_Count	2
107647	Tautomer_Count	1
8748	Molecular_Weight	154.25
6099917	Non-hydrogen_Atom_Count	12
27124	Undefined_Bond_Stereo_Count	1
11636326	Structure_Complexity	606
83095	Non-hydrogen_Atom_Count	10
5477380	Covalent_Unit_Count	1
68312	Total_Formal_Charge	0
2724629	Exact_Mass	353.16270821
4369414	Hydrogen_Bond_Donor_Count	1
89629295	Hydrogen_Bond_Acceptor_Count	2
6426742	Hydrogen_Bond_Acceptor_Count	7
5368053	Hydrogen_Bond_Acceptor_Count	5
36190	Hydrogen_Bond_Donor_Count	0
71435578	TPSA	34.1
148184759	XLogP3-AA	1.1
2812	Mono_Isotopic_Weight	344.1080262
163988282	Rotatable_Bond_Count	1
1550234	Molecular_Weight	366.4
444913	Undefined_Atom_Stereo_Count	0
67528035	Undefined_Atom_Stereo_Count	0
35763	Defined_Atom_Stereo_Count	0
11840927	Total_Formal_Charge	0
674879	Isotope_Atom_Count	0
145971	Defined_Atom_Stereo_Count	0
123187306	Rotatable_Bond_Count	1
18626413	Non-hydrogen_Atom_Count	8
26662	Hydrogen_Bond_Donor_Count	0
94781	Rotatable_Bond_Count	4
87491756	Non-hydrogen_Atom_Count	8
69244	Rotatable_Bond_Count	2
5890	Isotope_Atom_Count	0
45614	Rotatable_Bond_Count	7
582251	TPSA	45.8
418587	TPSA	238
69532978	Mono_Isotopic_Weight	115.063328530
105093	Molecular_Weight	196.96657
664081	Structure_Complexity	399
21117215	Undefined_Atom_Stereo_Count	2
10025615	TPSA	40.5
6323	TPSA	0
79267	Hydrogen_Bond_Donor_Count	1
1444	Undefined_Bond_Stereo_Count	3
5284513	Mono_Isotopic_Weight	326.18819469
12295187	Rotatable_Bond_Count	0
16102853	Defined_Atom_Stereo_Count	1
82593562	Structure_Complexity	78.4
11407637	XLogP3-AA	2.4
14552327	TPSA	20.2
54682463	Total_Formal_Charge	0
151069	Rotatable_Bond_Count	7
11083859	Defined_Atom_Stereo_Count	0
73425158	Hydrogen_Bond_Acceptor_Count	1
2058	Exact_Mass	322.13174244
1815	Covalent_Unit_Count	1
19757680	Hydrogen_Bond_Donor_Count	2
65752	Rotatable_Bond_Count	0
153722581	TPSA	76.2
11182588	Hydrogen_Bond_Donor_Count	1
133478	Mono_Isotopic_Weight	284.131348519
73648	XLogP3-AA	3.2
70693265	TPSA	89.2
12248306	Rotatable_Bond_Count	3
6538897	Isotope_Atom_Count	0
25548	Hydrogen_Bond_Acceptor_Count	14
446727	Structure_Complexity	450
154104	Structure_Complexity	499
59830693	Undefined_Bond_Stereo_Count	0
13810450	Rotatable_Bond_Count	0
18692	TPSA	40.5
46587	Mono_Isotopic_Weight	253.15521754
8779	Isotope_Atom_Count	0
2955894	Exact_Mass	407.20697307
9852746	Defined_Atom_Stereo_Count	0
12089	Exact_Mass	152.058577502
6852393	Tautomer_Count	3
66316	Mono_Isotopic_Weight	204.078644241
54445182	Undefined_Atom_Stereo_Count	3
5460504	Undefined_Atom_Stereo_Count	0
81923	Defined_Atom_Stereo_Count	0
12872197	Structure_Complexity	96.3
24848191	Isotope_Atom_Count	0
5573	Defined_Atom_Stereo_Count	0
69484	Isotope_Atom_Count	0
4459	Molecular_Weight	302.4
32176	Isotope_Atom_Count	0
8026	Hydrogen_Bond_Acceptor_Count	3
12244	Covalent_Unit_Count	1
60155366	Hydrogen_Bond_Donor_Count	0
29976098	Structure_Complexity	596
139585852	Rotatable_Bond_Count	0
4323	Defined_Bond_Stereo_Count	0
115236	Covalent_Unit_Count	1
72296	Undefined_Bond_Stereo_Count	1
119095779	Defined_Bond_Stereo_Count	0
39665	Isotope_Atom_Count	0
2165	Mono_Isotopic_Weight	355.1451400
16737690	Hydrogen_Bond_Acceptor_Count	12
129885959	Hydrogen_Bond_Donor_Count	6
90843502	Mono_Isotopic_Weight	112.052429494
22033948	Hydrogen_Bond_Acceptor_Count	3
3754	Covalent_Unit_Count	1
53420035	Undefined_Atom_Stereo_Count	2
49857317	Exact_Mass	394.15535203
59295974	TPSA	133
5497186	Defined_Atom_Stereo_Count	4
102118	Defined_Atom_Stereo_Count	0
10194504	Exact_Mass	413.1142338
131737226	Hydrogen_Bond_Acceptor_Count	6
11526038	Total_Formal_Charge	0
71988	Undefined_Atom_Stereo_Count	0
100886	Exact_Mass	114.104465066
7274	Hydrogen_Bond_Acceptor_Count	2
91667979	Isotope_Atom_Count	4
3782034	Defined_Bond_Stereo_Count	0
91168	TPSA	37.3
10419137	Hydrogen_Bond_Donor_Count	1
13511919	TPSA	20.2
142994149	Molecular_Weight	98.10
6419941	Structure_Complexity	340
12232989	Undefined_Bond_Stereo_Count	0
12608294	Hydrogen_Bond_Donor_Count	1
12532	Total_Formal_Charge	0
220376	Undefined_Atom_Stereo_Count	0
3081361	Undefined_Bond_Stereo_Count	0
2762894	TPSA	38.9
162990682	Exact_Mass	665.30474055
1335	Hydrogen_Bond_Donor_Count	4
105056	Undefined_Atom_Stereo_Count	0
701186	Mono_Isotopic_Weight	304.0614700
60794	Structure_Complexity	1470
767	TPSA	57.5
140695	Hydrogen_Bond_Donor_Count	0
91236903	Hydrogen_Bond_Donor_Count	0
197883	Molecular_Weight	182.2
194791	Exact_Mass	833.27485046
124409111	Mono_Isotopic_Weight	342.11621151
24848788	Structure_Complexity	156
81358402	Structure_Complexity	96.6
22150757	Total_Formal_Charge	0
53635139	Isotope_Atom_Count	0
448223	Covalent_Unit_Count	1
71105	TPSA	71.4
12847948	Structure_Complexity	83.7
7840	Covalent_Unit_Count	1
681701	Total_Formal_Charge	0
3541	Structure_Complexity	570
21093784	Total_Formal_Charge	0
49858375	Covalent_Unit_Count	1
688091	Defined_Atom_Stereo_Count	0
5353355	Non-hydrogen_Atom_Count	23
95763	Mono_Isotopic_Weight	245.0065981
37175	Defined_Atom_Stereo_Count	0
57249770	TPSA	54.4
67488	Structure_Complexity	114
73919	Hydrogen_Bond_Donor_Count	4
12146767	Molecular_Weight	81.12
22053264	Isotope_Atom_Count	0
68976065	TPSA	12
5464253	Hydrogen_Bond_Acceptor_Count	10
61124202	Undefined_Atom_Stereo_Count	1
3080714	Undefined_Atom_Stereo_Count	0
7578	Tautomer_Count	2
80778	Isotope_Atom_Count	0
62452	Undefined_Bond_Stereo_Count	0
5327065	Isotope_Atom_Count	0
6481	Covalent_Unit_Count	1
7057995	Covalent_Unit_Count	1
147336409	Mono_Isotopic_Weight	94.078250319
5288453	Hydrogen_Bond_Acceptor_Count	12
102120416	Structure_Complexity	966
19962876	Mono_Isotopic_Weight	83.037113783
3246605	Structure_Complexity	398
11001318	Tautomer_Count	1
592645	Covalent_Unit_Count	1
919792	Undefined_Atom_Stereo_Count	0
69046	Molecular_Weight	277.3
8916	Mono_Isotopic_Weight	157.183049738
20056625	Isotope_Atom_Count	0
7749	Exact_Mass	102.068079557
96356	Covalent_Unit_Count	1
59116084	TPSA	90.2
74353448	Hydrogen_Bond_Donor_Count	4
75005	Defined_Bond_Stereo_Count	0
38350	Isotope_Atom_Count	0
1018	Total_Formal_Charge	0
45934213	Undefined_Bond_Stereo_Count	0
2745	Undefined_Atom_Stereo_Count	5
117899707	Structure_Complexity	74.6
2021	Mono_Isotopic_Weight	332.15835111
3613389	Non-hydrogen_Atom_Count	11
446578	Hydrogen_Bond_Donor_Count	3
135409535	Hydrogen_Bond_Donor_Count	4
35	Rotatable_Bond_Count	2
91936863	Total_Formal_Charge	0
80369	Total_Formal_Charge	0
9837124	Isotope_Atom_Count	0
6584	Molecular_Weight	74.08
169371	TPSA	219
5225	Exact_Mass	420.09912215
78202	Rotatable_Bond_Count	14
134688323	Covalent_Unit_Count	1
3184	TPSA	90.2
581206	Isotope_Atom_Count	0
108156	Structure_Complexity	546
5460037	Structure_Complexity	625
21327	TPSA	67.6
69840958	Non-hydrogen_Atom_Count	7
14839575	Non-hydrogen_Atom_Count	17
67634	TPSA	17.1
98097	Mono_Isotopic_Weight	226.099379685
490561	Isotope_Atom_Count	0
5282402	Isotope_Atom_Count	0
4339626	Molecular_Weight	101.19
13019066	Exact_Mass	416.32904526
819	Defined_Atom_Stereo_Count	0
21679899	Hydrogen_Bond_Acceptor_Count	1
9877357	Structure_Complexity	89.8
19418150	Hydrogen_Bond_Acceptor_Count	0
415267	Hydrogen_Bond_Donor_Count	0
23679004	Total_Formal_Charge	0
3038501	Undefined_Atom_Stereo_Count	0
83909	Molecular_Weight	360.3
21180574	Rotatable_Bond_Count	0
25127713	Undefined_Bond_Stereo_Count	0
17321	XLogP3	5.2
6871216	Exact_Mass	511.99526894
157917	Molecular_Weight	648.2
5230	Hydrogen_Bond_Donor_Count	2
92020576	Exact_Mass	146.05790880
23505018	Structure_Complexity	61.5
20739	XLogP3	2.6
7939	TPSA	51.8
13947131	Defined_Atom_Stereo_Count	0
165600653	Total_Formal_Charge	0
119435	XLogP3	3.4
76198	Isotope_Atom_Count	0
54270986	Molecular_Weight	340.3
62354	Exact_Mass	620.28327683
12597	Covalent_Unit_Count	1
54466147	Isotope_Atom_Count	0
5932	Rotatable_Bond_Count	2
25021359	Defined_Atom_Stereo_Count	2
94034	Total_Formal_Charge	0
11344002	Defined_Atom_Stereo_Count	0
10225191	Undefined_Atom_Stereo_Count	0
7608	Covalent_Unit_Count	1
6711153	XLogP3-AA	7.5
13224	Undefined_Bond_Stereo_Count	0
4839	Defined_Bond_Stereo_Count	0
22419332	Hydrogen_Bond_Acceptor_Count	2
55918	Defined_Atom_Stereo_Count	0
86240135	Rotatable_Bond_Count	1
9798222	Tautomer_Count	7
21753162	Structure_Complexity	74.1
4274588	Defined_Bond_Stereo_Count	0
443951	Covalent_Unit_Count	1
44591583	Total_Formal_Charge	0
539244	Mono_Isotopic_Weight	478.20029610
76365	Defined_Atom_Stereo_Count	0
6914131	Undefined_Bond_Stereo_Count	0
98719	Molecular_Weight	255.40
10131842	Rotatable_Bond_Count	8
5729	XLogP3-AA	1.8
20678	Isotope_Atom_Count	0
16049024	Total_Formal_Charge	0
42614	Non-hydrogen_Atom_Count	14
146158340	Non-hydrogen_Atom_Count	36
43146	Total_Formal_Charge	0
98265	Structure_Complexity	71.1
9797059	Defined_Bond_Stereo_Count	0
18530	Total_Formal_Charge	0
107917	Defined_Bond_Stereo_Count	0
905454	Rotatable_Bond_Count	4
5554	Exact_Mass	520.39164552
75816	Undefined_Atom_Stereo_Count	0
59398673	Mono_Isotopic_Weight	96.021129366
54871	Covalent_Unit_Count	2
44462985	Defined_Bond_Stereo_Count	0
31117	Molecular_Weight	283.4
11660192	Tautomer_Count	8
5353622	Undefined_Bond_Stereo_Count	0
9822866	Exact_Mass	410.1761058
85826247	Exact_Mass	114.068079557
168	Undefined_Atom_Stereo_Count	10
9833407	Defined_Atom_Stereo_Count	7
62961	Non-hydrogen_Atom_Count	33
12282	Undefined_Bond_Stereo_Count	0
12769779	TPSA	12
135403804	Undefined_Bond_Stereo_Count	0
13318273	Hydrogen_Bond_Donor_Count	0
108381	Hydrogen_Bond_Donor_Count	2
44596665	Hydrogen_Bond_Acceptor_Count	14
70685495	Total_Formal_Charge	0
2524	Hydrogen_Bond_Donor_Count	3
12904	Rotatable_Bond_Count	6
73896891	Defined_Atom_Stereo_Count	12
11717831	Non-hydrogen_Atom_Count	27
15145	Mono_Isotopic_Weight	84.057514874
394156	Structure_Complexity	282
21252133	Non-hydrogen_Atom_Count	8
7879	Rotatable_Bond_Count	34
134695314	Defined_Atom_Stereo_Count	9
10909529	Total_Formal_Charge	0
224392	Defined_Atom_Stereo_Count	0
4019	Defined_Atom_Stereo_Count	0
6323236	Exact_Mass	582.24783482
13069	Total_Formal_Charge	0
129821327	Total_Formal_Charge	0
44571098	Molecular_Weight	462.9
53814234	Hydrogen_Bond_Donor_Count	1
984396	Isotope_Atom_Count	0
9862272	Exact_Mass	328.1142544
12740455	Covalent_Unit_Count	1
5284361	Undefined_Atom_Stereo_Count	6
441254	Isotope_Atom_Count	0
155292829	Hydrogen_Bond_Donor_Count	6
62512	XLogP3-AA	9.7
2922	Covalent_Unit_Count	1
3081884	Isotope_Atom_Count	0
123348667	Covalent_Unit_Count	1
98306	Defined_Bond_Stereo_Count	0
91543	Mono_Isotopic_Weight	493.71285
3053	Hydrogen_Bond_Acceptor_Count	13
70754	Covalent_Unit_Count	1
13207	Undefined_Atom_Stereo_Count	0
101050964	XLogP3-AA	1.1
55298701	Total_Formal_Charge	0
17841212	Hydrogen_Bond_Acceptor_Count	3
11147674	Hydrogen_Bond_Donor_Count	1
702015	Defined_Atom_Stereo_Count	0
274412	Non-hydrogen_Atom_Count	8
441979	TPSA	53.4
19819	Molecular_Weight	297.13
68986	Defined_Atom_Stereo_Count	0
21614503	Isotope_Atom_Count	0
15174929	XLogP3	1.2
23073857	Defined_Bond_Stereo_Count	0
65157	Structure_Complexity	739
21490213	Hydrogen_Bond_Acceptor_Count	2
837	Defined_Atom_Stereo_Count	0
81466	Structure_Complexity	129
38013	Rotatable_Bond_Count	1
9793707	Molecular_Weight	102.09
104610	Defined_Atom_Stereo_Count	0
5482	Hydrogen_Bond_Donor_Count	0
13207	Structure_Complexity	101
67615000	Undefined_Atom_Stereo_Count	1
398569	Mono_Isotopic_Weight	315.14705815
68871182	TPSA	23.8
9576891	Total_Formal_Charge	0
25273215	TPSA	52.8
590907	XLogP3-AA	4.5
6035	Structure_Complexity	386
10569	TPSA	37.3
71698	Molecular_Weight	262.35
62662	Undefined_Atom_Stereo_Count	0
20137	Structure_Complexity	72.1
2122	Covalent_Unit_Count	1
102738	Hydrogen_Bond_Acceptor_Count	2
3634	Total_Formal_Charge	0
16130571	Undefined_Atom_Stereo_Count	0
15885752	Rotatable_Bond_Count	2
88554936	Exact_Mass	112.088815002
59561	Hydrogen_Bond_Acceptor_Count	2
101574147	Mono_Isotopic_Weight	813.32364278
137321858	Defined_Bond_Stereo_Count	0
3012	Undefined_Atom_Stereo_Count	0
543129	Covalent_Unit_Count	1
54675830	Hydrogen_Bond_Acceptor_Count	3
220338	Tautomer_Count	1
339455	Structure_Complexity	542
12623293	XLogP3-AA	2.6
71872	Rotatable_Bond_Count	3
54582822	Total_Formal_Charge	0
601880	Mono_Isotopic_Weight	180.04225873
15677	Mono_Isotopic_Weight	285.18008961
5365773	Isotope_Atom_Count	0
59483386	Covalent_Unit_Count	1
16240279	Undefined_Atom_Stereo_Count	0
11967617	TPSA	12
54582797	Defined_Atom_Stereo_Count	0
14045178	Covalent_Unit_Count	1
80045	Structure_Complexity	224
8430	Covalent_Unit_Count	1
15853200	Covalent_Unit_Count	1
136307	Rotatable_Bond_Count	2
5259916	Hydrogen_Bond_Donor_Count	2
66714960	Mono_Isotopic_Weight	183.05449518
77507	Structure_Complexity	243
72200876	Hydrogen_Bond_Acceptor_Count	7
49868142	Structure_Complexity	12
44554	Structure_Complexity	945
42884	Undefined_Bond_Stereo_Count	0
72032	Undefined_Bond_Stereo_Count	0
54236977	Undefined_Atom_Stereo_Count	2
19835	Hydrogen_Bond_Acceptor_Count	2
13973648	Non-hydrogen_Atom_Count	10
163050676	Rotatable_Bond_Count	0
168076	Rotatable_Bond_Count	2
74077706	Isotope_Atom_Count	0
46926350	Molecular_Weight	396.5
16211948	Defined_Bond_Stereo_Count	0
82505	Defined_Bond_Stereo_Count	0
23355	XLogP3	0
40127	Tautomer_Count	3
5365369	Rotatable_Bond_Count	19
91688	Exact_Mass	281.0407907
138510	Total_Formal_Charge	0
3035829	Rotatable_Bond_Count	4
154731207	Hydrogen_Bond_Acceptor_Count	13
65331	TPSA	475
135408511	XLogP3-AA	4.5
8916	Rotatable_Bond_Count	8
227260	XLogP3-AA	2.2
5367760	Undefined_Bond_Stereo_Count	0
406870	Isotope_Atom_Count	0
7068	Defined_Bond_Stereo_Count	0
12184591	Undefined_Atom_Stereo_Count	0
15301081	Defined_Bond_Stereo_Count	0
23666830	Total_Formal_Charge	0
5486172	Hydrogen_Bond_Donor_Count	6
819109	Undefined_Bond_Stereo_Count	0
61631	Mono_Isotopic_Weight	170.130679813
5481173	Tautomer_Count	14
248	Isotope_Atom_Count	0
441401	Molecular_Weight	337.35
25203153	Defined_Atom_Stereo_Count	0
3783165	Non-hydrogen_Atom_Count	7
9794126	Undefined_Atom_Stereo_Count	0
11197931	Rotatable_Bond_Count	1
11543205	Structure_Complexity	278
11100989	Hydrogen_Bond_Donor_Count	0
659218	XLogP3-AA	1.6
198707	Tautomer_Count	2
5702132	Mono_Isotopic_Weight	277.07324176
135400456	Defined_Bond_Stereo_Count	0
1471775	Mono_Isotopic_Weight	396.12561169
71474517	Structure_Complexity	1840
67416	Rotatable_Bond_Count	8
135403828	Total_Formal_Charge	0
829795	XLogP3-AA	0.4
138979	Defined_Atom_Stereo_Count	0
130150414	Mono_Isotopic_Weight	118.02660867
16759993	Defined_Atom_Stereo_Count	2
118210452	Isotope_Atom_Count	0
6131	Hydrogen_Bond_Donor_Count	5
5151436	Undefined_Atom_Stereo_Count	1
22990584	Defined_Bond_Stereo_Count	0
51371486	Mono_Isotopic_Weight	309.06575108
4285	Molecular_Weight	327.5
520911	Covalent_Unit_Count	1
123688932	Defined_Atom_Stereo_Count	0
558546	XLogP3-AA	0.6
71451733	Mono_Isotopic_Weight	372.19615422
3916	Tautomer_Count	1
2797779	Defined_Atom_Stereo_Count	0
439213	Rotatable_Bond_Count	1
10104005	TPSA	38.4
2756390	Structure_Complexity	269
18302	Defined_Atom_Stereo_Count	0
6914	Hydrogen_Bond_Donor_Count	1
49866901	Isotope_Atom_Count	0
85538179	Rotatable_Bond_Count	0
9552079	Isotope_Atom_Count	0
2822	Covalent_Unit_Count	1
12927947	Covalent_Unit_Count	1
3687	Hydrogen_Bond_Donor_Count	3
667684	Hydrogen_Bond_Donor_Count	1
71388	Non-hydrogen_Atom_Count	20
20136721	Undefined_Bond_Stereo_Count	0
16220118	Rotatable_Bond_Count	4
98043897	TPSA	60.7
87401	Defined_Bond_Stereo_Count	0
22348641	Total_Formal_Charge	0
30292	TPSA	30.7
657180	Undefined_Bond_Stereo_Count	0
12814873	Structure_Complexity	415
102175	Defined_Bond_Stereo_Count	0
6445562	Hydrogen_Bond_Acceptor_Count	7
516	Structure_Complexity	388
11105318	Hydrogen_Bond_Acceptor_Count	1
154	Structure_Complexity	413
33251	Covalent_Unit_Count	1
16213698	Total_Formal_Charge	0
6214	Isotope_Atom_Count	0
558148	Exact_Mass	98.084398327
68056645	Non-hydrogen_Atom_Count	8
57401680	Hydrogen_Bond_Acceptor_Count	5
163255537	Hydrogen_Bond_Donor_Count	0
140233815	Molecular_Weight	114.19
72199429	Covalent_Unit_Count	1
79484	XLogP3	1.2
5375	TPSA	171
71391	Undefined_Bond_Stereo_Count	0
24860538	Hydrogen_Bond_Acceptor_Count	0
45046	Undefined_Atom_Stereo_Count	0
12791421	Defined_Atom_Stereo_Count	0
44321290	Covalent_Unit_Count	1
67322	Exact_Mass	236.17360725
14388239	Rotatable_Bond_Count	1
58247682	Covalent_Unit_Count	1
18541897	XLogP3-AA	0.8
15188270	Defined_Bond_Stereo_Count	0
13314	Non-hydrogen_Atom_Count	22
124040753	Hydrogen_Bond_Acceptor_Count	6
56659408	Rotatable_Bond_Count	13
23662389	Mono_Isotopic_Weight	361.03445057
72441	TPSA	144
40467109	Molecular_Weight	349.4
54575456	XLogP3-AA	1.3
2967	Tautomer_Count	3
4168	Structure_Complexity	300
44758	Defined_Atom_Stereo_Count	0
57399142	Defined_Atom_Stereo_Count	0
694466	Total_Formal_Charge	0
560878	TPSA	40.5
85925	Molecular_Weight	142.28
32329	Molecular_Weight	273.37
96160	Structure_Complexity	47.9
14169893	Undefined_Atom_Stereo_Count	0
90486	Non-hydrogen_Atom_Count	16
107760	Non-hydrogen_Atom_Count	31
71812105	Exact_Mass	291.18344366
28118	Undefined_Atom_Stereo_Count	0
60196302	Molecular_Weight	378.5
71640	Total_Formal_Charge	0
57874	Exact_Mass	312.183778013
17581	Defined_Atom_Stereo_Count	0
194338	Hydrogen_Bond_Donor_Count	2
136657690	Hydrogen_Bond_Donor_Count	4
53867497	Non-hydrogen_Atom_Count	11
122452208	Defined_Atom_Stereo_Count	0
6485793	Non-hydrogen_Atom_Count	28
57445155	Covalent_Unit_Count	1
59347	Exact_Mass	241.0869564
57404062	Isotope_Atom_Count	0
83517	Mono_Isotopic_Weight	487.49806
12302694	Isotope_Atom_Count	0
88273595	Molecular_Weight	116.12
522596	Undefined_Atom_Stereo_Count	0
20100130	Non-hydrogen_Atom_Count	18
11137239	Covalent_Unit_Count	1
53939339	TPSA	21.6
3979	XLogP3-AA	6.2
2764068	Rotatable_Bond_Count	4
6392641	Mono_Isotopic_Weight	824.368622
2741326	Isotope_Atom_Count	0
123698	Molecular_Weight	295.8
6061	Undefined_Bond_Stereo_Count	0
88974	Tautomer_Count	9
11669698	Mono_Isotopic_Weight	456.10564683
13595226	Defined_Bond_Stereo_Count	0
53954226	Hydrogen_Bond_Acceptor_Count	2
161930	Structure_Complexity	502
11477651	Isotope_Atom_Count	0
17787271	Covalent_Unit_Count	1
25904	Covalent_Unit_Count	1
565932	XLogP3-AA	4.3
4627783	TPSA	17.1
18819	Exact_Mass	246.12873571
216227	Isotope_Atom_Count	0
6001	Non-hydrogen_Atom_Count	20
5114908	Hydrogen_Bond_Acceptor_Count	1
11569967	Structure_Complexity	730
618542	Total_Formal_Charge	0
61305	Covalent_Unit_Count	1
63119	XLogP3-AA	1.5
95456	Hydrogen_Bond_Acceptor_Count	2
204506	Tautomer_Count	3
97135	Non-hydrogen_Atom_Count	16
91754	Hydrogen_Bond_Donor_Count	0
15568242	Rotatable_Bond_Count	1
5983	Isotope_Atom_Count	0
98850	Isotope_Atom_Count	0
115071571	Structure_Complexity	94.7
5702237	Mono_Isotopic_Weight	317.11106656
45073462	Mono_Isotopic_Weight	448.1109187
13319222	Exact_Mass	103.099714038
117965	Covalent_Unit_Count	2
11779028	Rotatable_Bond_Count	2
55285553	Exact_Mass	101.084063974
154361546	Molecular_Weight	101.15
91196148	Mono_Isotopic_Weight	1201.84136802
399235	Total_Formal_Charge	0
151090	Hydrogen_Bond_Donor_Count	1
9985155	Undefined_Bond_Stereo_Count	0
4520	XLogP3-AA	0.1
25006687	Hydrogen_Bond_Donor_Count	2
12040509	Structure_Complexity	533
54732122	TPSA	83.8
635186	Isotope_Atom_Count	0
69160	Hydrogen_Bond_Donor_Count	3
928095	XLogP3-AA	1.1
700140	Undefined_Atom_Stereo_Count	0
179336	Rotatable_Bond_Count	0
12668	Structure_Complexity	121
87315833	Structure_Complexity	31
1257	Undefined_Atom_Stereo_Count	2
129320410	Rotatable_Bond_Count	8
60196321	Defined_Bond_Stereo_Count	0
54595803	Undefined_Bond_Stereo_Count	0
6227	Tautomer_Count	1
299	Structure_Complexity	631
53259022	XLogP3-AA	4.7
21841	TPSA	104
60153262	Mono_Isotopic_Weight	406.07042274
136430	Defined_Bond_Stereo_Count	0
73557521	Defined_Bond_Stereo_Count	0
65837	Covalent_Unit_Count	1
124019740	Undefined_Bond_Stereo_Count	0
138358	Mono_Isotopic_Weight	98.109550447
20298594	XLogP3-AA	0.3
70995	Tautomer_Count	1
65802	TPSA	87.2
51174	Structure_Complexity	623
18376592	Hydrogen_Bond_Donor_Count	2
44073	Structure_Complexity	484
8027	Undefined_Atom_Stereo_Count	0
12642	Total_Formal_Charge	0
3752	Molecular_Weight	256.09
22841634	Rotatable_Bond_Count	2
25072741	Exact_Mass	431.14567599
90479276	Structure_Complexity	1410
53317992	Defined_Atom_Stereo_Count	0
8678	Defined_Bond_Stereo_Count	0
140607	Hydrogen_Bond_Donor_Count	0
18680274	Structure_Complexity	519
45116665	Exact_Mass	110.084398327
54092188	Isotope_Atom_Count	0
9852519	Covalent_Unit_Count	1
84986	Mono_Isotopic_Weight	210.0798001
42602351	Undefined_Bond_Stereo_Count	0
11147714	Undefined_Atom_Stereo_Count	0
40784491	Undefined_Atom_Stereo_Count	0
17071	TPSA	20.3
68110	Defined_Bond_Stereo_Count	0
25674	Hydrogen_Bond_Acceptor_Count	4
228864	Hydrogen_Bond_Acceptor_Count	2
46841787	Hydrogen_Bond_Acceptor_Count	13
87501539	Exact_Mass	107.037113783
6327514	Defined_Atom_Stereo_Count	0
123134657	Defined_Bond_Stereo_Count	1
475825	Isotope_Atom_Count	0
72734520	Undefined_Bond_Stereo_Count	0
136451	Covalent_Unit_Count	1
21894213	Defined_Bond_Stereo_Count	0
26970	Tautomer_Count	1
129486	Hydrogen_Bond_Donor_Count	0
136721436	Isotope_Atom_Count	0
23552426	TPSA	38.9
13432	Covalent_Unit_Count	1
46853873	Defined_Atom_Stereo_Count	14
20289356	TPSA	49.7
106823823	Exact_Mass	116.083729621
8130	Hydrogen_Bond_Donor_Count	0
125564	Mono_Isotopic_Weight	367.24237613
23207406	Undefined_Bond_Stereo_Count	0
12358803	Rotatable_Bond_Count	10
83644	XLogP3-AA	3.3
53861228	TPSA	9.2
6961	Rotatable_Bond_Count	4
91667979	Non-hydrogen_Atom_Count	21
452126	Hydrogen_Bond_Acceptor_Count	9
6984	Hydrogen_Bond_Acceptor_Count	1
55434	Hydrogen_Bond_Acceptor_Count	4
83679654	Hydrogen_Bond_Acceptor_Count	3
6450531	Undefined_Atom_Stereo_Count	0
83445	Structure_Complexity	290
10329946	Exact_Mass	181.06674293
135413546	Molecular_Weight	324.13
5784745	Defined_Bond_Stereo_Count	1
809629	Mono_Isotopic_Weight	321.04710720
22016574	Mono_Isotopic_Weight	99.068413911
46877881	Mono_Isotopic_Weight	813.42859314
409	XLogP3-AA	0.7
11764	Rotatable_Bond_Count	0
117326	Molecular_Weight	103.16
20056950	Mono_Isotopic_Weight	440.16000488
881	Hydrogen_Bond_Donor_Count	0
11789162	Non-hydrogen_Atom_Count	8
87349895	Molecular_Weight	419.7
123964585	Isotope_Atom_Count	0
18698	TPSA	26.3
12749319	Undefined_Atom_Stereo_Count	1
129747104	Total_Formal_Charge	0
9905438	Molecular_Weight	327.2
11829386	Total_Formal_Charge	0
57642301	Undefined_Atom_Stereo_Count	2
3162	Exact_Mass	270.173213330
3078952	Molecular_Weight	254.26
11256587	Tautomer_Count	42
19928662	Hydrogen_Bond_Donor_Count	1
124541742	Molecular_Weight	378.5
70682213	Mono_Isotopic_Weight	429.19132300
15031772	Isotope_Atom_Count	0
44263854	Hydrogen_Bond_Acceptor_Count	8
90495	Defined_Atom_Stereo_Count	0
129848667	Non-hydrogen_Atom_Count	29
55303612	Total_Formal_Charge	0
419490	Isotope_Atom_Count	0
580518	Structure_Complexity	265
24414	TPSA	88.6
517827	Undefined_Bond_Stereo_Count	0
163321054	TPSA	441
11543205	Total_Formal_Charge	0
24410	Non-hydrogen_Atom_Count	5
10146470	TPSA	115
6919	Undefined_Atom_Stereo_Count	0
155907170	Undefined_Atom_Stereo_Count	0
52949613	Total_Formal_Charge	0
637927	Mono_Isotopic_Weight	88.052429494
122403924	Rotatable_Bond_Count	30
4912932	Structure_Complexity	127
430245	Isotope_Atom_Count	0
171092	Molecular_Weight	264.4
129722163	Defined_Atom_Stereo_Count	0
34005	Structure_Complexity	56
8534	Non-hydrogen_Atom_Count	22
10909485	Non-hydrogen_Atom_Count	6
3661	Total_Formal_Charge	0
123133886	Undefined_Atom_Stereo_Count	1
90957031	Covalent_Unit_Count	1
21943184	Total_Formal_Charge	0
79013	Hydrogen_Bond_Acceptor_Count	2
54544033	Hydrogen_Bond_Acceptor_Count	9
18738120	XLogP3-AA	13.1
3351	Rotatable_Bond_Count	5
54043984	Mono_Isotopic_Weight	202.078250319
10736576	Isotope_Atom_Count	0
6431	Defined_Atom_Stereo_Count	0
87310	Undefined_Atom_Stereo_Count	1
71019	Isotope_Atom_Count	0
20907	Hydrogen_Bond_Donor_Count	3
188414	Defined_Atom_Stereo_Count	0
5282229	TPSA	101
5363097	Total_Formal_Charge	0
6672	Structure_Complexity	143
77009	Total_Formal_Charge	0
92272	TPSA	63.6
59899303	TPSA	36
78747	Molecular_Weight	95.10
67050751	Structure_Complexity	70.1
70308	XLogP3	3
13270940	Non-hydrogen_Atom_Count	7
23713799	Total_Formal_Charge	0
91339524	Mono_Isotopic_Weight	96.068748264
3081387	Hydrogen_Bond_Acceptor_Count	18
44392148	Rotatable_Bond_Count	9
47628	Covalent_Unit_Count	1
445258	Structure_Complexity	60.4
69170	Non-hydrogen_Atom_Count	16
71583378	XLogP3-AA	3.4
8441	Undefined_Bond_Stereo_Count	0
452254	Exact_Mass	355.94971
68678	Exact_Mass	287.0971445
69332601	Hydrogen_Bond_Acceptor_Count	3
87048	Molecular_Weight	141.13
166796	Structure_Complexity	596
32698	Total_Formal_Charge	0
519726	Hydrogen_Bond_Donor_Count	1
20129993	Rotatable_Bond_Count	3
232651	Hydrogen_Bond_Donor_Count	1
71761627	Hydrogen_Bond_Donor_Count	3
543	Total_Formal_Charge	0
138148	Molecular_Weight	100.16
52993101	Covalent_Unit_Count	1
44392244	Defined_Bond_Stereo_Count	0
5282948	Hydrogen_Bond_Donor_Count	2
5723	Hydrogen_Bond_Acceptor_Count	6
154474735	Hydrogen_Bond_Donor_Count	0
1549016	Defined_Atom_Stereo_Count	0
10390369	Covalent_Unit_Count	1
490561	Structure_Complexity	977
239041	Isotope_Atom_Count	0
21768	Exact_Mass	149.120449483
27697	Exact_Mass	201.151749610
1140	Undefined_Atom_Stereo_Count	0
31244	Covalent_Unit_Count	1
9789	Structure_Complexity	146
3862646	Mono_Isotopic_Weight	612.7618
132575067	Non-hydrogen_Atom_Count	20
130608736	Undefined_Atom_Stereo_Count	2
9415	Defined_Bond_Stereo_Count	0
84883	Defined_Bond_Stereo_Count	0
134129849	XLogP3-AA	1.8
20200448	Undefined_Bond_Stereo_Count	0
5282433	Defined_Atom_Stereo_Count	0
83756	Structure_Complexity	89.6
6748	Rotatable_Bond_Count	0
15096	Undefined_Bond_Stereo_Count	0
25526	Structure_Complexity	1150
396765	Undefined_Bond_Stereo_Count	4
62816	Mono_Isotopic_Weight	281.1982382
12675	Exact_Mass	287.9808379
79089	Mono_Isotopic_Weight	112.03467143
10877079	Hydrogen_Bond_Donor_Count	1
52942212	Exact_Mass	443.12683226
62280	Hydrogen_Bond_Donor_Count	5
123917	Defined_Bond_Stereo_Count	0
487	Structure_Complexity	103
6710780	Undefined_Bond_Stereo_Count	0
8283	TPSA	20.2
59638	Mono_Isotopic_Weight	309.278012748
5329056	XLogP3-AA	4.9
23667651	Non-hydrogen_Atom_Count	9
853747	XLogP3-AA	2.6
28187	Non-hydrogen_Atom_Count	14
197006	Undefined_Bond_Stereo_Count	0
3843	Mono_Isotopic_Weight	495.17942091
13195837	Isotope_Atom_Count	0
53462066	Undefined_Bond_Stereo_Count	0
2218	Non-hydrogen_Atom_Count	24
11340940	Non-hydrogen_Atom_Count	34
19676	Isotope_Atom_Count	0
87468122	Defined_Bond_Stereo_Count	0
7181	Non-hydrogen_Atom_Count	18
536431	Mono_Isotopic_Weight	116.083729621
68953	Mono_Isotopic_Weight	299.97859
58054368	Structure_Complexity	911
10975462	Structure_Complexity	70.1
69251960	Undefined_Atom_Stereo_Count	0
33377	Structure_Complexity	76.2
320459	TPSA	75.1
7090	Exact_Mass	162.079312947
53664307	Covalent_Unit_Count	1
73795	Covalent_Unit_Count	1
529448	Defined_Bond_Stereo_Count	0
101049151	Isotope_Atom_Count	0
3086257	TPSA	152
640429	Hydrogen_Bond_Donor_Count	1
46204457	Undefined_Bond_Stereo_Count	0
66112	Hydrogen_Bond_Donor_Count	0
57401683	Undefined_Atom_Stereo_Count	0
54581630	Mono_Isotopic_Weight	254.05790880
5281168	Covalent_Unit_Count	1
4202	Hydrogen_Bond_Acceptor_Count	8
70542877	Mono_Isotopic_Weight	97.027611728
5288703	Non-hydrogen_Atom_Count	25
71325379	Exact_Mass	108.057514874
2771919	Defined_Atom_Stereo_Count	0
1858	Total_Formal_Charge	0
137319715	Hydrogen_Bond_Acceptor_Count	2
72699435	Total_Formal_Charge	0
609	Total_Formal_Charge	0
12156911	Mono_Isotopic_Weight	91.042199164
447043	Mono_Isotopic_Weight	748.50852574
219023	Hydrogen_Bond_Donor_Count	1
16726	TPSA	69.7
59040622	Structure_Complexity	151
97660	Total_Formal_Charge	0
134019	Undefined_Bond_Stereo_Count	0
135421442	Molecular_Weight	516.7
5038	Defined_Atom_Stereo_Count	0
23269081	Exact_Mass	108.093900383
131673970	TPSA	85.4
70881	Hydrogen_Bond_Acceptor_Count	3
56677275	TPSA	100
12727651	Non-hydrogen_Atom_Count	7
11078406	Defined_Bond_Stereo_Count	0
14803791	TPSA	26.3
5167	Undefined_Atom_Stereo_Count	1
16076883	TPSA	191
89125265	Total_Formal_Charge	0
9230	Mono_Isotopic_Weight	117.057849228
73024	Defined_Bond_Stereo_Count	0
153373905	Hydrogen_Bond_Acceptor_Count	1
5859	Undefined_Atom_Stereo_Count	0
47544	TPSA	21.7
655797	XLogP3-AA	1.8
105427022	Molecular_Weight	114.10
59177	Isotope_Atom_Count	0
768	Isotope_Atom_Count	0
20055509	Undefined_Bond_Stereo_Count	0
10220680	Molecular_Weight	254.69
20336998	Structure_Complexity	41.4
146540	Exact_Mass	194.0377538
91438571	XLogP3-AA	1.5
16217	Undefined_Bond_Stereo_Count	0
980	Covalent_Unit_Count	1
91589	Total_Formal_Charge	0
5351811	TPSA	65
16211948	Isotope_Atom_Count	0
3083544	Non-hydrogen_Atom_Count	25
60196338	Mono_Isotopic_Weight	935.47259372
448222	Molecular_Weight	308.29
4077	Hydrogen_Bond_Acceptor_Count	4
131704	Mono_Isotopic_Weight	414.13146766
125449602	Exact_Mass	114.068079557
101924284	Isotope_Atom_Count	0
149433	Rotatable_Bond_Count	1
56055	Undefined_Bond_Stereo_Count	1
45488108	Undefined_Atom_Stereo_Count	0
118210808	Rotatable_Bond_Count	0
152943	Undefined_Bond_Stereo_Count	0
162302	TPSA	41.5
47372	Hydrogen_Bond_Donor_Count	0
89206022	Rotatable_Bond_Count	13
24728610	Undefined_Bond_Stereo_Count	0
139078863	Hydrogen_Bond_Donor_Count	1
57057991	Defined_Atom_Stereo_Count	0
50901	TPSA	68.9
1099	Structure_Complexity	18.8
123215474	Hydrogen_Bond_Donor_Count	3
4614	Covalent_Unit_Count	1
123200332	Defined_Atom_Stereo_Count	0
31265	Hydrogen_Bond_Acceptor_Count	2
21498	Structure_Complexity	116
4322479	TPSA	62.7
11966129	Isotope_Atom_Count	0
9548696	Total_Formal_Charge	0
65646	Structure_Complexity	868
366731	Non-hydrogen_Atom_Count	18
749	Mono_Isotopic_Weight	434.23113938
13204	Structure_Complexity	98.7
9904	Molecular_Weight	274.4
56626310	Isotope_Atom_Count	0
24765417	Defined_Atom_Stereo_Count	0
65256	Rotatable_Bond_Count	0
19606581	Mono_Isotopic_Weight	208.07355886
6918204	Rotatable_Bond_Count	29
121595921	Mono_Isotopic_Weight	868.56604061
60712	TPSA	114
10134310	Defined_Atom_Stereo_Count	0
5364361	TPSA	0
15528723	Undefined_Bond_Stereo_Count	0
135516644	Rotatable_Bond_Count	3
441667	Exact_Mass	449.10838648
90708518	Undefined_Atom_Stereo_Count	0
12576852	Structure_Complexity	74.4
129491	Non-hydrogen_Atom_Count	36
3588	Structure_Complexity	634
139254656	Mono_Isotopic_Weight	242.07251349
14173662	Mono_Isotopic_Weight	111.032028402
21566834	Rotatable_Bond_Count	1
12425308	Hydrogen_Bond_Acceptor_Count	3
54684286	Exact_Mass	243.07428713
55298701	Non-hydrogen_Atom_Count	7
227085	Covalent_Unit_Count	1
135465079	Covalent_Unit_Count	1
137716	Undefined_Atom_Stereo_Count	0
11974213	XLogP3-AA	5.5
15352	Tautomer_Count	1
84354	Tautomer_Count	3
71622385	Molecular_Weight	152.19
71612	Undefined_Atom_Stereo_Count	1
117683867	Defined_Atom_Stereo_Count	11
24879665	Undefined_Bond_Stereo_Count	0
117881739	Defined_Bond_Stereo_Count	0
5289247	Undefined_Bond_Stereo_Count	0
2332	Hydrogen_Bond_Acceptor_Count	1
55560	Mono_Isotopic_Weight	554.33558719
251143	Rotatable_Bond_Count	1
9917013	Structure_Complexity	1150
3452	Total_Formal_Charge	0
95285	Tautomer_Count	4
69332716	Undefined_Bond_Stereo_Count	0
37419	Hydrogen_Bond_Donor_Count	1
129674754	Defined_Bond_Stereo_Count	0
3823887	Undefined_Bond_Stereo_Count	0
14421	Undefined_Bond_Stereo_Count	0
59809	Defined_Atom_Stereo_Count	0
5784745	Molecular_Weight	247.3
62706165	Structure_Complexity	822
7474	Undefined_Bond_Stereo_Count	0
68119	XLogP3	1.2
14988402	Mono_Isotopic_Weight	99.104799419
7806	Structure_Complexity	66.9
519971	Molecular_Weight	109.13
9821	Undefined_Bond_Stereo_Count	0
57572416	Hydrogen_Bond_Donor_Count	4
7670	Defined_Bond_Stereo_Count	0
12978170	Hydrogen_Bond_Acceptor_Count	0
329983	TPSA	13.1
22264	Hydrogen_Bond_Donor_Count	3
12021	Non-hydrogen_Atom_Count	6
403648	Mono_Isotopic_Weight	382.98249
882889	Defined_Atom_Stereo_Count	0
68260	Exact_Mass	210.140850574
2734236	Structure_Complexity	93.3
44609163	XLogP3-AA	2.6
54581630	Isotope_Atom_Count	0
179849	Total_Formal_Charge	0
2712	Undefined_Bond_Stereo_Count	0
133568445	Defined_Atom_Stereo_Count	18
5321318	Covalent_Unit_Count	1
222171	Total_Formal_Charge	0
6361	Exact_Mass	78.0236279
13351946	Mono_Isotopic_Weight	125.058911855
45344	TPSA	22.9
53323075	Hydrogen_Bond_Acceptor_Count	8
5702236	Molecular_Weight	261.34
16907	Rotatable_Bond_Count	2
91902981	Mono_Isotopic_Weight	665.30474055
453359	Undefined_Atom_Stereo_Count	0
19022508	Rotatable_Bond_Count	5
5282548	Hydrogen_Bond_Donor_Count	0
5953	Hydrogen_Bond_Acceptor_Count	4
11414	Defined_Atom_Stereo_Count	0
5284452	Defined_Bond_Stereo_Count	0
52918384	XLogP3-AA	2
12867358	Covalent_Unit_Count	1
45190	Hydrogen_Bond_Acceptor_Count	4
54095609	Undefined_Atom_Stereo_Count	1
23690449	Molecular_Weight	506.86
449488	Undefined_Bond_Stereo_Count	0
17754007	Undefined_Bond_Stereo_Count	0
94462	Undefined_Atom_Stereo_Count	0
46907953	TPSA	49.3
10228095	Covalent_Unit_Count	1
133612499	Exact_Mass	1033.54575866
5282360	Non-hydrogen_Atom_Count	21
182176	Isotope_Atom_Count	0
509554	XLogP3-AA	4.7
12220383	Exact_Mass	111.068413911
114681	Covalent_Unit_Count	1
1810	Structure_Complexity	386
36572	Mono_Isotopic_Weight	406.1560391
5311052	Non-hydrogen_Atom_Count	28
8888	Undefined_Atom_Stereo_Count	1
12687005	Molecular_Weight	303.4
159325	Tautomer_Count	1
56619338	TPSA	117
22753620	Exact_Mass	108.068748264
70040	Defined_Bond_Stereo_Count	0
13068894	TPSA	17.1
135347950	Undefined_Bond_Stereo_Count	0
23270355	TPSA	20.2
11870469	Hydrogen_Bond_Donor_Count	2
27756	Defined_Atom_Stereo_Count	0
886088	Mono_Isotopic_Weight	338.0921014
5232593	Non-hydrogen_Atom_Count	5
59390227	Isotope_Atom_Count	0
2968	Total_Formal_Charge	2
27941	Total_Formal_Charge	0
72725	Isotope_Atom_Count	0
164075219	Rotatable_Bond_Count	0
52945260	Mono_Isotopic_Weight	353.13103142
54739048	Total_Formal_Charge	0
21844441	Isotope_Atom_Count	0
62956	Hydrogen_Bond_Acceptor_Count	5
88314154	XLogP3-AA	0.4
137699188	Molecular_Weight	1526.8
11442891	Structure_Complexity	731
11768718	Mono_Isotopic_Weight	147.03539970
45484851	XLogP3-AA	5.1
159190124	Rotatable_Bond_Count	15
73423	Hydrogen_Bond_Donor_Count	2
15765	Defined_Atom_Stereo_Count	0
2375	Defined_Bond_Stereo_Count	0
561096	TPSA	0
7270	XLogP3	4.6
96356	Exact_Mass	219.9935200
36273	Rotatable_Bond_Count	3
558889	Total_Formal_Charge	0
3090	Defined_Atom_Stereo_Count	0
10920474	Undefined_Bond_Stereo_Count	0
57077234	Total_Formal_Charge	0
3373	Hydrogen_Bond_Acceptor_Count	5
77050446	Defined_Atom_Stereo_Count	0
17673	Hydrogen_Bond_Donor_Count	0
45120354	Tautomer_Count	1
55804	Defined_Bond_Stereo_Count	0
73648	Undefined_Atom_Stereo_Count	0
348256	Isotope_Atom_Count	0
118499237	Isotope_Atom_Count	0
140988277	Defined_Bond_Stereo_Count	0
680429	Defined_Bond_Stereo_Count	0
151182	Structure_Complexity	285
81864	Non-hydrogen_Atom_Count	8
73640	Non-hydrogen_Atom_Count	24
20055083	Defined_Bond_Stereo_Count	3
81729	Defined_Atom_Stereo_Count	0
7473	Non-hydrogen_Atom_Count	10
439680	Undefined_Bond_Stereo_Count	0
23164725	Molecular_Weight	113.11
21924868	Undefined_Atom_Stereo_Count	7
16049289	Hydrogen_Bond_Acceptor_Count	7
222714	Undefined_Bond_Stereo_Count	0
14268486	Structure_Complexity	90.6
6553	Mono_Isotopic_Weight	199.88363
11788284	Molecular_Weight	114.19
25002426	Total_Formal_Charge	0
56669107	Undefined_Bond_Stereo_Count	0
20220664	Structure_Complexity	86.5
12559270	Total_Formal_Charge	0
161094262	Molecular_Weight	86.14
106228050	Exact_Mass	111.068413911
11970261	Covalent_Unit_Count	3
486543	Exact_Mass	589.32239674
13624278	Hydrogen_Bond_Acceptor_Count	3
11684	Hydrogen_Bond_Acceptor_Count	2
596091	Rotatable_Bond_Count	4
22065216	Defined_Atom_Stereo_Count	0
86	Non-hydrogen_Atom_Count	11
66577114	Structure_Complexity	1650
3049771	Mono_Isotopic_Weight	169.085126602
65635	Hydrogen_Bond_Acceptor_Count	4
44308032	TPSA	56.9
122005	Isotope_Atom_Count	0
216454	TPSA	65.2
91400094	Rotatable_Bond_Count	6
8427	Mono_Isotopic_Weight	233.9850495
40539	Hydrogen_Bond_Donor_Count	3
159157	Mono_Isotopic_Weight	208.04054465
17822053	Undefined_Bond_Stereo_Count	0
19603047	Molecular_Weight	114.19
6916033	Tautomer_Count	1
70686474	Rotatable_Bond_Count	7
6780	TPSA	34.1
5282315	Defined_Bond_Stereo_Count	2
5329016	Total_Formal_Charge	0
5791	Exact_Mass	275.1288213
62963	Total_Formal_Charge	0
12579403	Rotatable_Bond_Count	1
59896759	Mono_Isotopic_Weight	225.0449137
34313	Defined_Atom_Stereo_Count	0
2981	Non-hydrogen_Atom_Count	16
7826	Non-hydrogen_Atom_Count	10
5478936	Total_Formal_Charge	0
157692	Hydrogen_Bond_Donor_Count	2
3035451	Defined_Atom_Stereo_Count	4
58708317	Hydrogen_Bond_Acceptor_Count	8
11446361	Covalent_Unit_Count	1
17613	Exact_Mass	150.0811428
6604492	Rotatable_Bond_Count	7
15412	Total_Formal_Charge	0
65970	Total_Formal_Charge	0
90427261	TPSA	20.2
3100	Undefined_Bond_Stereo_Count	0
161988362	XLogP3-AA	1.6
125127453	Undefined_Atom_Stereo_Count	0
5287969	Defined_Bond_Stereo_Count	0
129209	Tautomer_Count	1
7072	Undefined_Atom_Stereo_Count	0
208907	Isotope_Atom_Count	0
15510	Molecular_Weight	102.20
7386	Rotatable_Bond_Count	0
257950	Isotope_Atom_Count	0
71957	Defined_Atom_Stereo_Count	2
25167777	TPSA	115
57563	Undefined_Atom_Stereo_Count	0
15368893	Isotope_Atom_Count	0
54419	Structure_Complexity	291
20793238	Rotatable_Bond_Count	1
17846631	Mono_Isotopic_Weight	224.08136064
11377211	Defined_Atom_Stereo_Count	6
15081	Defined_Bond_Stereo_Count	0
123611214	Isotope_Atom_Count	0
210172	Mono_Isotopic_Weight	457.1898973
62165	XLogP3-AA	7.7
58737	XLogP3-AA	4.9
71616	Undefined_Bond_Stereo_Count	0
72200409	Structure_Complexity	877
12609623	Hydrogen_Bond_Acceptor_Count	2
71622	Undefined_Bond_Stereo_Count	0
6733	Isotope_Atom_Count	0
441130	Rotatable_Bond_Count	5
11474262	Undefined_Bond_Stereo_Count	0
54086435	Rotatable_Bond_Count	1
24582	Undefined_Bond_Stereo_Count	0
78170	Non-hydrogen_Atom_Count	18
93798	Defined_Bond_Stereo_Count	0
7067897	Hydrogen_Bond_Donor_Count	6
2766305	Defined_Bond_Stereo_Count	0
25227436	Molecular_Weight	428.9
125409	Non-hydrogen_Atom_Count	10
534258	TPSA	20.2
9800065	Structure_Complexity	519
555949	Total_Formal_Charge	0
56663313	Hydrogen_Bond_Acceptor_Count	8
65820	Exact_Mass	499.27225866
72073	Defined_Atom_Stereo_Count	0
12723336	Total_Formal_Charge	0
41596	Hydrogen_Bond_Donor_Count	2
129027658	Hydrogen_Bond_Acceptor_Count	1
20392754	Covalent_Unit_Count	1
6432709	XLogP3-AA	3.9
81512	Rotatable_Bond_Count	0
8095	XLogP3-AA	0.3
40438	Structure_Complexity	330
10456134	TPSA	101
230976	Hydrogen_Bond_Acceptor_Count	5
62510	Non-hydrogen_Atom_Count	7
69994	Rotatable_Bond_Count	2
3863	Rotatable_Bond_Count	6
12298493	Hydrogen_Bond_Acceptor_Count	2
71785	Defined_Bond_Stereo_Count	0
16684171	Defined_Bond_Stereo_Count	0
439207	Structure_Complexity	1210
259331	Exact_Mass	439.1680992
78284	Molecular_Weight	132.59
44925	Tautomer_Count	1
2735107	Defined_Atom_Stereo_Count	0
7906	Hydrogen_Bond_Donor_Count	0
84759	Mono_Isotopic_Weight	145.063997236
58714	Structure_Complexity	187
9860424	Defined_Bond_Stereo_Count	0
119830	Defined_Bond_Stereo_Count	0
16678941	Hydrogen_Bond_Acceptor_Count	8
117965	Exact_Mass	324.1968412
21948548	Covalent_Unit_Count	1
522609	XLogP3-AA	3.1
71986	Undefined_Bond_Stereo_Count	0
16211283	Exact_Mass	396.1815851
20372730	Molecular_Weight	116.16
8296	Undefined_Bond_Stereo_Count	0
87425	Isotope_Atom_Count	0
10934636	Exact_Mass	274.04773803
165574	Defined_Atom_Stereo_Count	0
75505	Defined_Atom_Stereo_Count	0
96160	Rotatable_Bond_Count	1
109325	Non-hydrogen_Atom_Count	13
75090	Non-hydrogen_Atom_Count	22
1218	Hydrogen_Bond_Acceptor_Count	3
2794833	Covalent_Unit_Count	1
4915	Undefined_Atom_Stereo_Count	0
8497	Hydrogen_Bond_Acceptor_Count	4
1549521	Rotatable_Bond_Count	2
53846429	Hydrogen_Bond_Donor_Count	3
81971	Defined_Bond_Stereo_Count	0
53652433	Mono_Isotopic_Weight	112.052429494
6476333	Structure_Complexity	936
91996283	Total_Formal_Charge	0
9305	Undefined_Bond_Stereo_Count	0
139244568	Hydrogen_Bond_Donor_Count	1
133612130	Rotatable_Bond_Count	44
10290764	Hydrogen_Bond_Donor_Count	2
17904650	Isotope_Atom_Count	0
2734445	Non-hydrogen_Atom_Count	10
95941	Defined_Bond_Stereo_Count	0
16290686	Covalent_Unit_Count	1
63546	Non-hydrogen_Atom_Count	38
11586735	TPSA	54.7
455799	Covalent_Unit_Count	2
13930075	Exact_Mass	113.084063974
3437285	Defined_Atom_Stereo_Count	0
124846	Total_Formal_Charge	0
180576	Rotatable_Bond_Count	3
4158	Molecular_Weight	233.31
3585	Rotatable_Bond_Count	3
92058	Molecular_Weight	186.29
7989	TPSA	17.1
9265	Mono_Isotopic_Weight	98.109550447
72392	Mono_Isotopic_Weight	322.18523456
17769889	Hydrogen_Bond_Donor_Count	1
18430531	Covalent_Unit_Count	1
81346	Defined_Atom_Stereo_Count	0
90488914	Rotatable_Bond_Count	6
225564	Hydrogen_Bond_Acceptor_Count	1
41368	Defined_Bond_Stereo_Count	0
9974756	Undefined_Atom_Stereo_Count	0
141725394	Exact_Mass	103.063328530
39688	Hydrogen_Bond_Acceptor_Count	6
11990	Rotatable_Bond_Count	0
11497836	Defined_Bond_Stereo_Count	0
90397060	Defined_Bond_Stereo_Count	1
93128	TPSA	35.5
11126191	Molecular_Weight	102.13
12711598	Hydrogen_Bond_Acceptor_Count	2
7841	Undefined_Bond_Stereo_Count	0
67818	Total_Formal_Charge	0
54682461	Defined_Atom_Stereo_Count	2
26576	TPSA	50.8
87527569	Hydrogen_Bond_Acceptor_Count	4
7714	Hydrogen_Bond_Donor_Count	0
530132	Mono_Isotopic_Weight	217.092290636
253602	TPSA	67.8
72325	Molecular_Weight	422.5
127382	Undefined_Bond_Stereo_Count	0
5702068	Non-hydrogen_Atom_Count	29
155087254	Isotope_Atom_Count	0
102614	TPSA	64.2
24642	Exact_Mass	239.94328
36652	Covalent_Unit_Count	1
126011	Undefined_Atom_Stereo_Count	7
5460188	Defined_Atom_Stereo_Count	6
137993	Isotope_Atom_Count	0
3342768	Hydrogen_Bond_Acceptor_Count	13
104806	Covalent_Unit_Count	1
46916	Undefined_Atom_Stereo_Count	0
10285780	Isotope_Atom_Count	0
44249711	Defined_Atom_Stereo_Count	0
21426352	Total_Formal_Charge	0
5459124	Undefined_Bond_Stereo_Count	0
11520	Non-hydrogen_Atom_Count	8
11009	Undefined_Bond_Stereo_Count	0
72296	Non-hydrogen_Atom_Count	20
3037565	Undefined_Atom_Stereo_Count	0
38771	Defined_Atom_Stereo_Count	0
151257062	Defined_Atom_Stereo_Count	0
14325610	Isotope_Atom_Count	0
4362	Structure_Complexity	166
143647928	Mono_Isotopic_Weight	97.052763847
57827330	Rotatable_Bond_Count	4
21700	Exact_Mass	520.2227812
126969054	TPSA	60.7
20791685	Isotope_Atom_Count	0
11258980	TPSA	92.3
59883	Hydrogen_Bond_Donor_Count	1
5043	Molecular_Weight	570.4
24414	Undefined_Atom_Stereo_Count	0
55296078	Rotatable_Bond_Count	1
8252	Tautomer_Count	1
15482356	Undefined_Atom_Stereo_Count	1
546946	Tautomer_Count	2
4017	Undefined_Bond_Stereo_Count	0
11675	Rotatable_Bond_Count	1
4041	Hydrogen_Bond_Donor_Count	0
68958	Covalent_Unit_Count	1
69982	XLogP3	1.7
443037	Covalent_Unit_Count	1
636402	Rotatable_Bond_Count	4
14706	Structure_Complexity	432
3082127	Hydrogen_Bond_Acceptor_Count	4
24901416	XLogP3-AA	3.4
752860	XLogP3-AA	3.9
12608294	Structure_Complexity	77.6
70046010	Structure_Complexity	108
70106	TPSA	17.1
36082	Hydrogen_Bond_Donor_Count	1
5305	Non-hydrogen_Atom_Count	29
5815211	Undefined_Bond_Stereo_Count	0
60201265	Defined_Atom_Stereo_Count	2
53326398	Structure_Complexity	1110
439569	Isotope_Atom_Count	0
642792	Undefined_Bond_Stereo_Count	0
596244	Defined_Atom_Stereo_Count	0
183729	Hydrogen_Bond_Donor_Count	0
56218	Molecular_Weight	184.28
5365247	Undefined_Atom_Stereo_Count	0
7401	Structure_Complexity	224
12536731	Non-hydrogen_Atom_Count	8
55716	TPSA	90.5
90102662	Non-hydrogen_Atom_Count	8
38382	Tautomer_Count	1
126	Structure_Complexity	93.1
56673014	Hydrogen_Bond_Donor_Count	1
12817963	Total_Formal_Charge	0
135400183	Covalent_Unit_Count	1
11000	Covalent_Unit_Count	1
92163	Total_Formal_Charge	0
10198719	Mono_Isotopic_Weight	243.08301860
11977	Non-hydrogen_Atom_Count	10
71834	Undefined_Bond_Stereo_Count	0
71814	Isotope_Atom_Count	0
11548000	Molecular_Weight	510.7
16115747	Molecular_Weight	420.5
10797	Isotope_Atom_Count	0
140793266	Undefined_Atom_Stereo_Count	0
65513	Molecular_Weight	307.14
23063800	XLogP3-AA	0.2
71602	Molecular_Weight	179.18
148676572	Exact_Mass	108.093900383
68740500	Undefined_Bond_Stereo_Count	0
9909392	TPSA	83.8
6950273	Rotatable_Bond_Count	2
631779	Exact_Mass	352.101702159
53324425	Isotope_Atom_Count	0
57358782	Total_Formal_Charge	0
8784	Isotope_Atom_Count	0
5289158	Rotatable_Bond_Count	2
555285	Molecular_Weight	106.12
6361	Isotope_Atom_Count	0
13349549	Isotope_Atom_Count	0
85812	Molecular_Weight	202.25
12274	Total_Formal_Charge	0
5437	Covalent_Unit_Count	1
548545	Total_Formal_Charge	0
57121306	Mono_Isotopic_Weight	100.052429494
83134	Mono_Isotopic_Weight	223.10558726
16719220	Defined_Bond_Stereo_Count	0
4029	Defined_Atom_Stereo_Count	0
76673	Defined_Bond_Stereo_Count	0
79875564	Undefined_Atom_Stereo_Count	0
52105	Defined_Bond_Stereo_Count	0
3418	Isotope_Atom_Count	0
65649	Non-hydrogen_Atom_Count	12
71743736	Undefined_Atom_Stereo_Count	1
375912	Rotatable_Bond_Count	1
114911	Undefined_Bond_Stereo_Count	0
3083758	Molecular_Weight	145.55
61396	Hydrogen_Bond_Donor_Count	1
135409347	Hydrogen_Bond_Acceptor_Count	6
408714	Hydrogen_Bond_Acceptor_Count	1
54732122	Exact_Mass	324.09977361
83815	Rotatable_Bond_Count	2
69052440	Total_Formal_Charge	0
23724819	Tautomer_Count	3
701718	Hydrogen_Bond_Acceptor_Count	5
5779	Hydrogen_Bond_Acceptor_Count	5
128913	Tautomer_Count	1
1241420	Isotope_Atom_Count	0
5311271	Hydrogen_Bond_Acceptor_Count	5
11681588	Non-hydrogen_Atom_Count	25
68737	Covalent_Unit_Count	3
10197665	Rotatable_Bond_Count	0
52766	Exact_Mass	274.11398438
92427	Rotatable_Bond_Count	0
163779583	XLogP3-AA	1.7
72758138	Non-hydrogen_Atom_Count	32
91809622	Hydrogen_Bond_Acceptor_Count	8
76661607	Molecular_Weight	104.15
13620760	Undefined_Atom_Stereo_Count	1
86042	Hydrogen_Bond_Donor_Count	2
95299	Hydrogen_Bond_Donor_Count	2
127757	Exact_Mass	452.22122615
5282403	Hydrogen_Bond_Donor_Count	2
129630422	Hydrogen_Bond_Acceptor_Count	22
154091501	Non-hydrogen_Atom_Count	8
44410959	Structure_Complexity	617
14570995	Rotatable_Bond_Count	1
569599	Mono_Isotopic_Weight	284.06194880
13511141	Non-hydrogen_Atom_Count	13
140152057	Undefined_Bond_Stereo_Count	0
8747	Undefined_Atom_Stereo_Count	0
26248	Total_Formal_Charge	0
5702251	Mono_Isotopic_Weight	234.0326684
149086	Structure_Complexity	1450
64371	XLogP3-AA	3.5
97383	Exact_Mass	208.9713554
53828439	Defined_Bond_Stereo_Count	0
12144388	Non-hydrogen_Atom_Count	8
69173085	Exact_Mass	99.104799419
123610848	TPSA	27.1
6435	Defined_Atom_Stereo_Count	0
60196304	TPSA	138
176448	XLogP3-AA	0.6
15047014	Rotatable_Bond_Count	1
5281080	Structure_Complexity	1550
100933147	Mono_Isotopic_Weight	748.38813582
12094059	Covalent_Unit_Count	1
18755011	Hydrogen_Bond_Donor_Count	1
86435	Undefined_Bond_Stereo_Count	0
9282	Defined_Atom_Stereo_Count	0
17858	Undefined_Bond_Stereo_Count	0
22421116	Hydrogen_Bond_Donor_Count	0
72302	Total_Formal_Charge	0
443732	Exact_Mass	71.073499291
73005	Defined_Atom_Stereo_Count	0
54682507	Undefined_Bond_Stereo_Count	0
6189	Structure_Complexity	635
82418987	Mono_Isotopic_Weight	111.068413911
688691	Undefined_Bond_Stereo_Count	0
49517	Non-hydrogen_Atom_Count	41
58860	Isotope_Atom_Count	0
74320	Exact_Mass	412.84097
5372405	Covalent_Unit_Count	1
13389	Mono_Isotopic_Weight	107.037113783
70543261	Defined_Bond_Stereo_Count	0
4320774	XLogP3-AA	3.1
123861	Defined_Bond_Stereo_Count	0
515	Hydrogen_Bond_Acceptor_Count	7
10224181	Mono_Isotopic_Weight	424.14230712
657255	Isotope_Atom_Count	0
941651	Undefined_Atom_Stereo_Count	0
28499	Rotatable_Bond_Count	8
96335	Isotope_Atom_Count	0
194953	Mono_Isotopic_Weight	202.09535693
6800	Defined_Bond_Stereo_Count	0
57395447	Defined_Bond_Stereo_Count	0
24603	Covalent_Unit_Count	1
17253	Structure_Complexity	427
69109362	Exact_Mass	101.047678466
57928403	XLogP3-AA	1.9
65706	Hydrogen_Bond_Donor_Count	1
413505	Hydrogen_Bond_Acceptor_Count	4
214398	Undefined_Bond_Stereo_Count	0
24848068	Undefined_Bond_Stereo_Count	0
3010818	Exact_Mass	679.40573244
186183	Undefined_Bond_Stereo_Count	0
10080354	TPSA	17.1
1148	Undefined_Atom_Stereo_Count	1
445501	Defined_Atom_Stereo_Count	1
3000469	Exact_Mass	312.19367399
22628	Rotatable_Bond_Count	1
123683	Rotatable_Bond_Count	5
4953	TPSA	74.6
1515	Tautomer_Count	1
17522	Tautomer_Count	1
141300213	Non-hydrogen_Atom_Count	8
433	Total_Formal_Charge	0
165717	Exact_Mass	100.052429494
558092	Structure_Complexity	75.6
12563868	Total_Formal_Charge	0
9816483	XLogP3-AA	3
6438712	XLogP3-AA	3
6420050	Exact_Mass	341.1605153
146472812	Mono_Isotopic_Weight	486.0841144
527633	Exact_Mass	117.078978594
2608576	Non-hydrogen_Atom_Count	22
57547	Tautomer_Count	1
9886249	Molecular_Weight	382.4
21680724	Undefined_Bond_Stereo_Count	0
6608	Defined_Bond_Stereo_Count	0
2752648	Mono_Isotopic_Weight	110.073164938
54359	Mono_Isotopic_Weight	370.204513457
21547072	Undefined_Atom_Stereo_Count	0
3966	Defined_Atom_Stereo_Count	0
10160238	Total_Formal_Charge	0
715567	Covalent_Unit_Count	1
71887	Molecular_Weight	248.28
74823	Structure_Complexity	241
11966129	Exact_Mass	943.16255437
23667303	Isotope_Atom_Count	0
513956	XLogP3-AA	4.7
908836	Isotope_Atom_Count	0
119032	TPSA	108
22227092	Exact_Mass	96.057514874
1051	Structure_Complexity	292
145994360	Covalent_Unit_Count	1
12176	Hydrogen_Bond_Donor_Count	1
23729666	Total_Formal_Charge	0
3058754	Hydrogen_Bond_Acceptor_Count	8
15466978	Total_Formal_Charge	0
49869313	Non-hydrogen_Atom_Count	25
104865206	Hydrogen_Bond_Acceptor_Count	3
1179	Molecular_Weight	836.8
91558	Exact_Mass	360.1604557
24900749	Defined_Atom_Stereo_Count	1
12233	Hydrogen_Bond_Donor_Count	1
3033984	Total_Formal_Charge	0
71750	Rotatable_Bond_Count	0
101835694	Mono_Isotopic_Weight	94.078250319
83150	Undefined_Bond_Stereo_Count	0
41539	Hydrogen_Bond_Acceptor_Count	2
83191	Structure_Complexity	42.2
7848	Undefined_Bond_Stereo_Count	0
71356656	Hydrogen_Bond_Donor_Count	0
162639137	Exact_Mass	422.15115773
798232	Molecular_Weight	340.8
57406717	Covalent_Unit_Count	1
388029	Defined_Bond_Stereo_Count	0
51086	Undefined_Atom_Stereo_Count	0
38971	Non-hydrogen_Atom_Count	29
550525	Undefined_Bond_Stereo_Count	0
5518	Structure_Complexity	380
55595	Exact_Mass	324.12090297
20198022	Undefined_Bond_Stereo_Count	0
9871	Non-hydrogen_Atom_Count	7
5169	Non-hydrogen_Atom_Count	25
25912	Total_Formal_Charge	0
7526	Undefined_Atom_Stereo_Count	0
26049	Total_Formal_Charge	0
6419708	Molecular_Weight	300.4
371715	Rotatable_Bond_Count	1
5232618	Mono_Isotopic_Weight	295.217423870
5071450	Mono_Isotopic_Weight	157.04874109
52944681	Exact_Mass	399.13944780
20690429	Rotatable_Bond_Count	8
21202	XLogP3-AA	5.3
54677470	Molecular_Weight	351.4
54556623	Hydrogen_Bond_Donor_Count	2
11655511	Undefined_Atom_Stereo_Count	0
1464	Covalent_Unit_Count	1
49869040	Rotatable_Bond_Count	3
94926	Hydrogen_Bond_Acceptor_Count	4
70684819	Undefined_Bond_Stereo_Count	0
44442027	Covalent_Unit_Count	1
92043507	Total_Formal_Charge	0
85705001	Rotatable_Bond_Count	0
77037484	TPSA	41.8
6011	Covalent_Unit_Count	1
83656	Molecular_Weight	310.5
14284	Defined_Atom_Stereo_Count	0
6957672	Isotope_Atom_Count	0
49865493	Defined_Bond_Stereo_Count	0
54006622	Defined_Atom_Stereo_Count	0
4261	Defined_Atom_Stereo_Count	0
123788466	Exact_Mass	95.048347172
9741	Structure_Complexity	64.9
53921527	TPSA	26.3
5606	Undefined_Bond_Stereo_Count	0
20385080	Covalent_Unit_Count	1
656575	Isotope_Atom_Count	0
2795115	Total_Formal_Charge	0
584645	Molecular_Weight	302.3
10424358	Isotope_Atom_Count	0
657378	Total_Formal_Charge	0
15213029	TPSA	38.6
10937607	Covalent_Unit_Count	1
10154060	TPSA	43.4
5284363	Isotope_Atom_Count	0
13220626	Undefined_Atom_Stereo_Count	4
18186100	Mono_Isotopic_Weight	101.00476828
83242	XLogP3	2.4
8041	Hydrogen_Bond_Acceptor_Count	2
320263	Rotatable_Bond_Count	2
15256327	Exact_Mass	115.063328530
13363033	Defined_Bond_Stereo_Count	0
19471	Defined_Atom_Stereo_Count	0
5352130	Isotope_Atom_Count	0
62871	Undefined_Bond_Stereo_Count	0
5281042	Molecular_Weight	1029.3
5059	TPSA	42.4
44144	Structure_Complexity	619
7825	Defined_Bond_Stereo_Count	0
9821849	Molecular_Weight	391.5
136069	Exact_Mass	130.053098200
74570	Hydrogen_Bond_Donor_Count	1
12397138	Undefined_Atom_Stereo_Count	3
165653078	Isotope_Atom_Count	0
12697524	Molecular_Weight	370.4
13598997	Covalent_Unit_Count	1
5288769	Structure_Complexity	382
123801	Structure_Complexity	174
801132	Non-hydrogen_Atom_Count	25
4432690	Defined_Bond_Stereo_Count	0
135398698	Non-hydrogen_Atom_Count	16
70692035	Hydrogen_Bond_Donor_Count	1
20372060	Molecular_Weight	113.11
71300726	Isotope_Atom_Count	0
76692	Non-hydrogen_Atom_Count	6
23916	Mono_Isotopic_Weight	140.156500638
22061818	Mono_Isotopic_Weight	112.063662883
9821217	Tautomer_Count	1
64033	Non-hydrogen_Atom_Count	19
65409	Exact_Mass	324.89063
517414	Structure_Complexity	231
21987892	Hydrogen_Bond_Donor_Count	0
525424	Mono_Isotopic_Weight	86.01902136
67979331	Structure_Complexity	701
91663303	Rotatable_Bond_Count	9
12387212	Total_Formal_Charge	0
41386	Hydrogen_Bond_Donor_Count	1
15940170	Rotatable_Bond_Count	7
9877351	Isotope_Atom_Count	0
53318411	Hydrogen_Bond_Acceptor_Count	4
23277870	Rotatable_Bond_Count	3
85693614	Rotatable_Bond_Count	3
9883259	Tautomer_Count	5
59392388	Undefined_Atom_Stereo_Count	0
8590	XLogP3-AA	3.8
11768526	Undefined_Bond_Stereo_Count	0
130779	Rotatable_Bond_Count	2
272282	Defined_Bond_Stereo_Count	0
393602	Exact_Mass	434.17293854
53245646	Rotatable_Bond_Count	7
12962854	Defined_Bond_Stereo_Count	0
6787	Undefined_Bond_Stereo_Count	0
17522	TPSA	83.6
3051	Covalent_Unit_Count	1
44310707	Hydrogen_Bond_Donor_Count	1
46836890	TPSA	84.9
57507663	Rotatable_Bond_Count	0
25008120	Covalent_Unit_Count	3
44144474	Molecular_Weight	631.8
79358	Structure_Complexity	186
16220095	Non-hydrogen_Atom_Count	38
87820	Defined_Atom_Stereo_Count	0
146199	Undefined_Atom_Stereo_Count	0
2737168	Structure_Complexity	115
5484444	XLogP3	2.9
439302	Molecular_Weight	1007.2
3699841	Rotatable_Bond_Count	2
102318232	Undefined_Atom_Stereo_Count	0
53297383	XLogP3	3.2
45266826	Defined_Atom_Stereo_Count	0
20749	TPSA	0
2072949	Undefined_Atom_Stereo_Count	0
71454287	Hydrogen_Bond_Donor_Count	2
68093	Non-hydrogen_Atom_Count	17
10462	Hydrogen_Bond_Donor_Count	2
9921	Total_Formal_Charge	0
16126651	Defined_Bond_Stereo_Count	0
61953	XLogP3-AA	3
10206	Structure_Complexity	994
290223	Defined_Atom_Stereo_Count	0
609844	Total_Formal_Charge	0
151746651	Undefined_Atom_Stereo_Count	0
636	Exact_Mass	251.10183929
66342	Molecular_Weight	292.3
46926350	Undefined_Atom_Stereo_Count	0
67258704	TPSA	35.3
10862733	Rotatable_Bond_Count	0
11586735	Defined_Atom_Stereo_Count	0
5311360	Tautomer_Count	1
5283324	Mono_Isotopic_Weight	126.104465066
55291103	Defined_Bond_Stereo_Count	0
101289807	Hydrogen_Bond_Donor_Count	0
4226	Covalent_Unit_Count	1
688323	Total_Formal_Charge	0
123561422	Molecular_Weight	86.14
73480	Hydrogen_Bond_Donor_Count	2
419182	Defined_Bond_Stereo_Count	0
17912027	Isotope_Atom_Count	0
260496	Undefined_Bond_Stereo_Count	0
53442174	Defined_Bond_Stereo_Count	0
798232	Undefined_Atom_Stereo_Count	0
567098	Hydrogen_Bond_Acceptor_Count	1
5282367	Mono_Isotopic_Weight	444.302830514
86122	Total_Formal_Charge	0
1892	Hydrogen_Bond_Donor_Count	1
116863532	Structure_Complexity	96.6
2733335	Defined_Bond_Stereo_Count	0
6918486	Tautomer_Count	1001
21041053	Hydrogen_Bond_Donor_Count	0
12111	Mono_Isotopic_Weight	200.083729621
137798	Mono_Isotopic_Weight	166.08162162
9817917	TPSA	135
7351	Undefined_Bond_Stereo_Count	0
7415	Exact_Mass	127.136099547
6140	Covalent_Unit_Count	1
144895707	Undefined_Atom_Stereo_Count	3
4830	Hydrogen_Bond_Donor_Count	1
69834	Undefined_Atom_Stereo_Count	0
119084740	Undefined_Atom_Stereo_Count	0
3720192	Undefined_Atom_Stereo_Count	0
18518868	Hydrogen_Bond_Acceptor_Count	3
122214878	Undefined_Bond_Stereo_Count	0
92185	Covalent_Unit_Count	1
166556	Isotope_Atom_Count	0
14190	Hydrogen_Bond_Acceptor_Count	8
442793	Non-hydrogen_Atom_Count	21
49863420	Exact_Mass	667.18292334
10267079	Total_Formal_Charge	0
24066	Tautomer_Count	3
141758017	Exact_Mass	116.047344113
212229	Exact_Mass	316.0745332
7159	Mono_Isotopic_Weight	235.95366166
5325710	Molecular_Weight	97.12
9831581	Defined_Bond_Stereo_Count	0
92729	Covalent_Unit_Count	1
470375	Defined_Atom_Stereo_Count	4
95447	TPSA	40.5
8134	Non-hydrogen_Atom_Count	8
161259	Structure_Complexity	1000
23519852	Defined_Bond_Stereo_Count	0
53806232	Non-hydrogen_Atom_Count	7
9812772	Hydrogen_Bond_Acceptor_Count	2
11919	Isotope_Atom_Count	0
67156338	Undefined_Bond_Stereo_Count	0
12495	Hydrogen_Bond_Donor_Count	0
60561	Covalent_Unit_Count	1
7196	XLogP3	0.4
48103	Tautomer_Count	1
439888	Undefined_Bond_Stereo_Count	0
21354407	XLogP3-AA	3.3
20024	Rotatable_Bond_Count	1
5916968	Rotatable_Bond_Count	13
139181052	Total_Formal_Charge	0
18622368	Total_Formal_Charge	0
5352449	Total_Formal_Charge	0
61056	Exact_Mass	186.198365449
18349198	Hydrogen_Bond_Donor_Count	1
56841628	TPSA	170
31230	Undefined_Bond_Stereo_Count	0
130956	Defined_Bond_Stereo_Count	0
72685	Hydrogen_Bond_Donor_Count	6
46783063	Covalent_Unit_Count	2
13698369	Undefined_Bond_Stereo_Count	0
22024814	Molecular_Weight	98.14
11170934	Molecular_Weight	108.14
46889118	Molecular_Weight	281.31
92850	Hydrogen_Bond_Donor_Count	0
84986	Molecular_Weight	210.68
75581	Rotatable_Bond_Count	0
5363229	Rotatable_Bond_Count	4
12720	Structure_Complexity	51.7
6629	Non-hydrogen_Atom_Count	11
16685	Tautomer_Count	1
21455617	Undefined_Atom_Stereo_Count	0
47676	Covalent_Unit_Count	1
54467044	Undefined_Atom_Stereo_Count	1
81255	Defined_Bond_Stereo_Count	0
53464	Non-hydrogen_Atom_Count	19
6602308	Rotatable_Bond_Count	11
22094	Non-hydrogen_Atom_Count	22
4400696	Rotatable_Bond_Count	3
422478	Defined_Bond_Stereo_Count	0
116	Defined_Bond_Stereo_Count	0
8369	Exact_Mass	126.031694049
86154978	Hydrogen_Bond_Acceptor_Count	10
86691500	Exact_Mass	164.076974926
151446	Undefined_Atom_Stereo_Count	1
16560	Total_Formal_Charge	0
6335499	Molecular_Weight	85.911167
17460	Undefined_Bond_Stereo_Count	0
135436539	Undefined_Atom_Stereo_Count	0
2529	Hydrogen_Bond_Donor_Count	6
24462	TPSA	88.6
1345	XLogP3-AA	5.5
2528	XLogP3-AA	1.9
72165	Molecular_Weight	284.35
9829639	Hydrogen_Bond_Acceptor_Count	11
64992857	Molecular_Weight	113.16
59883	Exact_Mass	417.24162724
9874175	TPSA	123
6931238	Structure_Complexity	171
101100163	Non-hydrogen_Atom_Count	18
6917857	Total_Formal_Charge	0
57928403	Hydrogen_Bond_Donor_Count	4
55900	Structure_Complexity	483
15900	Defined_Bond_Stereo_Count	0
104865206	TPSA	41.8
137319715	Defined_Bond_Stereo_Count	0
68783	Isotope_Atom_Count	0
83904773	Total_Formal_Charge	0
94242	Exact_Mass	152.0392780
153196846	Hydrogen_Bond_Acceptor_Count	1
53838967	Undefined_Atom_Stereo_Count	0
15004706	Isotope_Atom_Count	0
82703	Rotatable_Bond_Count	1
59811194	TPSA	0
139592645	Covalent_Unit_Count	1
25253556	Tautomer_Count	2
138979	Hydrogen_Bond_Donor_Count	0
17258	Defined_Bond_Stereo_Count	0
656685	Structure_Complexity	665
87212	Undefined_Bond_Stereo_Count	0
78220	Hydrogen_Bond_Donor_Count	1
46886975	Exact_Mass	378.10718492
11814656	TPSA	223
72679314	Molecular_Weight	378.5
35823	Covalent_Unit_Count	1
161091	Undefined_Atom_Stereo_Count	0
5311272	Molecular_Weight	432.5
14510872	Covalent_Unit_Count	1
6324659	Hydrogen_Bond_Donor_Count	5
5460495	Mono_Isotopic_Weight	115.063328530
109094	Hydrogen_Bond_Acceptor_Count	3
1381	Mono_Isotopic_Weight	408.18886022
6435	Tautomer_Count	15
51003123	Structure_Complexity	740
136316	XLogP3-AA	2.1
135536952	Structure_Complexity	1100
135413518	Total_Formal_Charge	0
8478	TPSA	18.5
133633	Structure_Complexity	416
839562	Molecular_Weight	316.4
71587288	Non-hydrogen_Atom_Count	33
445638	Exact_Mass	254.224580195
69301	TPSA	27.7
132940892	Exact_Mass	555.27517176
60196396	Isotope_Atom_Count	0
11751490	Defined_Atom_Stereo_Count	1
53315818	Hydrogen_Bond_Donor_Count	2
6437808	Undefined_Bond_Stereo_Count	0
13699300	Mono_Isotopic_Weight	116.047344113
21997268	Exact_Mass	534.36688732
82593533	Covalent_Unit_Count	1
107280	Hydrogen_Bond_Acceptor_Count	6
2122	Non-hydrogen_Atom_Count	22
51136560	Non-hydrogen_Atom_Count	63
11977753	Molecular_Weight	469.5
29625	Defined_Bond_Stereo_Count	0
8398	Non-hydrogen_Atom_Count	25
9961878	Defined_Bond_Stereo_Count	0
160534	Defined_Bond_Stereo_Count	0
139637653	TPSA	40.5
639095	Non-hydrogen_Atom_Count	7
305444	Covalent_Unit_Count	1
137967	Undefined_Bond_Stereo_Count	0
13800357	Covalent_Unit_Count	1
3082717	Isotope_Atom_Count	0
9831652	Defined_Bond_Stereo_Count	0
339	Defined_Bond_Stereo_Count	0
123298537	Non-hydrogen_Atom_Count	8
60594	Defined_Bond_Stereo_Count	0
86165635	TPSA	32.8
25116186	Non-hydrogen_Atom_Count	29
16212610	Structure_Complexity	382
77441779	Undefined_Atom_Stereo_Count	2
642324	XLogP3-AA	1.4
91463	Molecular_Weight	170.25
9800	Defined_Bond_Stereo_Count	0
24208748	Undefined_Bond_Stereo_Count	0
4655	TPSA	32.3
101176453	Total_Formal_Charge	0
2760056	Isotope_Atom_Count	0
154562176	Total_Formal_Charge	0
13379559	Structure_Complexity	111
10162742	Structure_Complexity	686
135456058	Undefined_Bond_Stereo_Count	0
83478498	Hydrogen_Bond_Donor_Count	1
28	Structure_Complexity	229
118797420	Molecular_Weight	186.11
676399	Rotatable_Bond_Count	5
35949	Total_Formal_Charge	0
31099	Tautomer_Count	2
122528532	Hydrogen_Bond_Acceptor_Count	3
14823	Tautomer_Count	1
11788284	Defined_Bond_Stereo_Count	0
4451502	Rotatable_Bond_Count	2
652019	Undefined_Atom_Stereo_Count	1
6061	TPSA	38
2778	Non-hydrogen_Atom_Count	49
2833	Undefined_Atom_Stereo_Count	1
135566069	Non-hydrogen_Atom_Count	108
70681602	Isotope_Atom_Count	0
53311	Defined_Atom_Stereo_Count	0
89219185	Structure_Complexity	61.1
66487	Tautomer_Count	30
46783864	Hydrogen_Bond_Acceptor_Count	4
640096	Undefined_Atom_Stereo_Count	0
522996	Covalent_Unit_Count	1
19606817	Molecular_Weight	96.13
2762919	Rotatable_Bond_Count	0
91169414	Defined_Atom_Stereo_Count	0
261407	Total_Formal_Charge	0
41466	Mono_Isotopic_Weight	130.074227566
71448903	TPSA	389
44560619	Covalent_Unit_Count	1
71651624	Molecular_Weight	97.12
58227482	Covalent_Unit_Count	1
48870	TPSA	73.1
92140	Undefined_Atom_Stereo_Count	0
37825	Structure_Complexity	441
10654192	TPSA	33.4
403803	Undefined_Bond_Stereo_Count	0
87552098	Undefined_Bond_Stereo_Count	0
11569	Molecular_Weight	136.15
55423	Total_Formal_Charge	0
60196262	Defined_Atom_Stereo_Count	13
21584701	Undefined_Bond_Stereo_Count	0
60702533	Undefined_Bond_Stereo_Count	0
6914	TPSA	20.2
58505	TPSA	86.9
115235	Covalent_Unit_Count	2
129800133	Non-hydrogen_Atom_Count	7
22607	Total_Formal_Charge	0
14352519	Hydrogen_Bond_Acceptor_Count	2
60209624	Hydrogen_Bond_Donor_Count	2
78802	Molecular_Weight	226.10
11594966	Non-hydrogen_Atom_Count	24
38855	Mono_Isotopic_Weight	356.29265975
11243969	Exact_Mass	315.19467705
96395	Exact_Mass	193.085126602
39764	Hydrogen_Bond_Donor_Count	0
5367785	TPSA	26.3
81099	Undefined_Atom_Stereo_Count	0
13600903	Undefined_Atom_Stereo_Count	0
23681223	Isotope_Atom_Count	0
5311093	Undefined_Bond_Stereo_Count	0
4454	Defined_Bond_Stereo_Count	0
34831	Total_Formal_Charge	0
70498808	Defined_Bond_Stereo_Count	0
255	Undefined_Bond_Stereo_Count	0
123895	Defined_Bond_Stereo_Count	0
84954	Covalent_Unit_Count	1
83678852	Hydrogen_Bond_Acceptor_Count	4
62859	Covalent_Unit_Count	3
6441068	Hydrogen_Bond_Donor_Count	0
6992284	TPSA	31.8
70697627	Defined_Bond_Stereo_Count	0
148837046	Hydrogen_Bond_Donor_Count	1
13017912	Isotope_Atom_Count	0
3727	Covalent_Unit_Count	1
129720364	Molecular_Weight	283.33
35949	Non-hydrogen_Atom_Count	28
5491906	Undefined_Bond_Stereo_Count	0
1257	Defined_Bond_Stereo_Count	0
70516989	Hydrogen_Bond_Donor_Count	1
77332	Mono_Isotopic_Weight	114.104465066
21538770	Total_Formal_Charge	0
57521	XLogP3-AA	4.3
21701560	Structure_Complexity	390
44560574	Covalent_Unit_Count	1
85773920	Undefined_Atom_Stereo_Count	2
3890	Rotatable_Bond_Count	14
2734672	Rotatable_Bond_Count	1
21899743	Total_Formal_Charge	0
9552077	Isotope_Atom_Count	0
156186164	Non-hydrogen_Atom_Count	8
15399127	TPSA	29.5
5459830	Rotatable_Bond_Count	3
7138	Exact_Mass	157.089149355
888	Undefined_Bond_Stereo_Count	0
104866516	Hydrogen_Bond_Acceptor_Count	2
55288363	Hydrogen_Bond_Donor_Count	1
363121	Exact_Mass	236.07970687
5287851	Hydrogen_Bond_Acceptor_Count	4
11567473	Structure_Complexity	806
47765	Molecular_Weight	312.39
22866	Hydrogen_Bond_Acceptor_Count	14
5207587	Structure_Complexity	6.1
25102847	Hydrogen_Bond_Donor_Count	2
38085	Molecular_Weight	313.15
86052146	Rotatable_Bond_Count	3
8167	Total_Formal_Charge	0
398641	Total_Formal_Charge	0
21365956	Covalent_Unit_Count	1
6973628	Isotope_Atom_Count	0
9826358	Exact_Mass	478.20029610
3036931	Total_Formal_Charge	0
79337	Non-hydrogen_Atom_Count	16
945	XLogP3-AA	0.2
638144	Hydrogen_Bond_Acceptor_Count	4
8633	Tautomer_Count	4
5783	Isotope_Atom_Count	0
53956489	Hydrogen_Bond_Donor_Count	1
441477	Molecular_Weight	179.17
138402870	Non-hydrogen_Atom_Count	77
11921	Defined_Bond_Stereo_Count	0
6420023	Isotope_Atom_Count	0
149164152	Defined_Bond_Stereo_Count	0
72884	TPSA	58.2
16732312	Undefined_Atom_Stereo_Count	0
6474640	Isotope_Atom_Count	0
2484	XLogP3	6.3
4278	Non-hydrogen_Atom_Count	12
86751	Structure_Complexity	97
20132002	Covalent_Unit_Count	1
61833	Tautomer_Count	1
14880677	Undefined_Atom_Stereo_Count	0
146571	Isotope_Atom_Count	0
23505018	Undefined_Bond_Stereo_Count	0
4320947	Tautomer_Count	1
198747	Covalent_Unit_Count	1
446094	Molecular_Weight	154.3
16076883	Undefined_Bond_Stereo_Count	0
20116902	Undefined_Atom_Stereo_Count	2
9793707	Defined_Atom_Stereo_Count	0
16850	Exact_Mass	332.06847348
97982	Undefined_Bond_Stereo_Count	0
63974	Exact_Mass	404.14845513
54180751	Structure_Complexity	85.4
21703153	Covalent_Unit_Count	1
96238	Exact_Mass	124.088815002
5246202	Molecular_Weight	290.23
1242943	Undefined_Atom_Stereo_Count	0
28292	Undefined_Atom_Stereo_Count	0
13559279	Rotatable_Bond_Count	3
123870	TPSA	26
522708	XLogP3-AA	1.6
8246	Mono_Isotopic_Weight	302.06299
12382883	Mono_Isotopic_Weight	213.10481667
115225	Non-hydrogen_Atom_Count	20
633526	TPSA	27.7
139352	Hydrogen_Bond_Acceptor_Count	3
566735	Molecular_Weight	98.10
15741339	Hydrogen_Bond_Acceptor_Count	1
14221107	Exact_Mass	98.073164938
19092	Isotope_Atom_Count	0
78747	Isotope_Atom_Count	0
49142	Hydrogen_Bond_Donor_Count	3
13393280	Rotatable_Bond_Count	3
443958	Defined_Atom_Stereo_Count	8
3434472	XLogP3	4.8
27914	Molecular_Weight	196.04
5514	Rotatable_Bond_Count	3
17882607	XLogP3-AA	0.6
136411580	Hydrogen_Bond_Donor_Count	5
165956322	Total_Formal_Charge	0
22424	Non-hydrogen_Atom_Count	29
2187	Molecular_Weight	293.4
72187524	Undefined_Bond_Stereo_Count	0
32413	Hydrogen_Bond_Acceptor_Count	3
69912	TPSA	43.1
534838	Undefined_Bond_Stereo_Count	1
57735	Mono_Isotopic_Weight	294.19434270
11159325	Defined_Atom_Stereo_Count	0
198243	Defined_Bond_Stereo_Count	0
36023	TPSA	23.8
8799	Hydrogen_Bond_Donor_Count	2
71356554	Defined_Atom_Stereo_Count	1
14238	Undefined_Bond_Stereo_Count	1
1069125	Hydrogen_Bond_Acceptor_Count	2
6400	Tautomer_Count	1
42928	Molecular_Weight	237.64
68861	Mono_Isotopic_Weight	311.188529040
5475462	Exact_Mass	153.151749610
3032279	Undefined_Bond_Stereo_Count	0
57697	Structure_Complexity	489
154518370	Covalent_Unit_Count	1
111	Exact_Mass	132.05349212
98488	Defined_Atom_Stereo_Count	0
16067950	Undefined_Atom_Stereo_Count	0
243556	Undefined_Bond_Stereo_Count	0
79828	Undefined_Atom_Stereo_Count	0
12734620	Exact_Mass	126.104465066
9595290	Undefined_Bond_Stereo_Count	0
6918852	Hydrogen_Bond_Donor_Count	2
5460044	Hydrogen_Bond_Donor_Count	6
66117	Mono_Isotopic_Weight	174.11167570
442912	Hydrogen_Bond_Donor_Count	1
81946	Structure_Complexity	268
14714336	Non-hydrogen_Atom_Count	8
281995	Hydrogen_Bond_Donor_Count	0
21242611	Exact_Mass	309.17357019
60155097	Defined_Bond_Stereo_Count	0
61389	Structure_Complexity	971
78220	Non-hydrogen_Atom_Count	12
88371993	Defined_Bond_Stereo_Count	0
43102	Undefined_Atom_Stereo_Count	0
41191	Defined_Atom_Stereo_Count	0
4652	Mono_Isotopic_Weight	199.0400063
29742	Hydrogen_Bond_Acceptor_Count	5
57916384	Isotope_Atom_Count	0
66811197	Hydrogen_Bond_Acceptor_Count	10
88709052	Mono_Isotopic_Weight	103.063328530
10400	Undefined_Bond_Stereo_Count	0
102102069	Rotatable_Bond_Count	2
698364	Undefined_Bond_Stereo_Count	0
8119	Isotope_Atom_Count	0
139024568	Defined_Bond_Stereo_Count	0
9574343	Covalent_Unit_Count	1
96251	Defined_Bond_Stereo_Count	0
162501	Exact_Mass	321.07258686
89036	TPSA	66.4
11344362	Molecular_Weight	181.15
414773	Undefined_Atom_Stereo_Count	0
54758501	Defined_Atom_Stereo_Count	0
24848382	Mono_Isotopic_Weight	152.107539070
205970	TPSA	42.8
11587	Covalent_Unit_Count	1
9863	Covalent_Unit_Count	1
6657	Non-hydrogen_Atom_Count	7
705472	Defined_Atom_Stereo_Count	0
18327808	Defined_Atom_Stereo_Count	0
135846942	Molecular_Weight	327.5
139584807	Hydrogen_Bond_Donor_Count	1
52943718	XLogP3-AA	3.6
564890	Exact_Mass	291.100776666
24004	Isotope_Atom_Count	0
129801083	Defined_Atom_Stereo_Count	0
71196	Defined_Bond_Stereo_Count	0
53361968	Undefined_Bond_Stereo_Count	0
77072	Total_Formal_Charge	1
11804674	TPSA	17.1
22910010	Undefined_Bond_Stereo_Count	0
10473088	Defined_Atom_Stereo_Count	3
15570	XLogP3	0.5
522549	Undefined_Atom_Stereo_Count	2
2064030	Hydrogen_Bond_Acceptor_Count	1
24714	Rotatable_Bond_Count	9
53778	Defined_Atom_Stereo_Count	0
37993	Undefined_Atom_Stereo_Count	0
54059092	Rotatable_Bond_Count	0
5798	Molecular_Weight	118.14
611945	Total_Formal_Charge	0
96237	XLogP3	0.2
149798	Total_Formal_Charge	0
2176	XLogP3	4
131673820	Defined_Atom_Stereo_Count	12
87081618	Defined_Bond_Stereo_Count	0
373077	Tautomer_Count	7
52941030	Defined_Atom_Stereo_Count	1
154059	Mono_Isotopic_Weight	362.199428076
17326	Undefined_Atom_Stereo_Count	0
6451325	Defined_Atom_Stereo_Count	4
22976356	Non-hydrogen_Atom_Count	10
62305	Hydrogen_Bond_Acceptor_Count	9
6918537	Mono_Isotopic_Weight	303.19467705
443041	XLogP3-AA	3.4
129627802	Mono_Isotopic_Weight	842.51400504
101650201	Exact_Mass	364.09200289
86882	TPSA	26.3
185914	Isotope_Atom_Count	0
70945	Mono_Isotopic_Weight	126.068079557
6602383	Undefined_Bond_Stereo_Count	0
44916	Defined_Atom_Stereo_Count	0
20527	XLogP3-AA	2.4
26533	Mono_Isotopic_Weight	223.10308534
126975912	Undefined_Bond_Stereo_Count	0
16073666	Exact_Mass	650.20959912
4636	Structure_Complexity	345
189562	Undefined_Bond_Stereo_Count	0
21889836	Defined_Bond_Stereo_Count	0
74062	Defined_Atom_Stereo_Count	0
53862531	Covalent_Unit_Count	1
59630	Molecular_Weight	297.5
124005380	Exact_Mass	110.109550447
5311035	Covalent_Unit_Count	1
63002	Hydrogen_Bond_Donor_Count	4
3799953	Exact_Mass	78.03774543
4141522	Molecular_Weight	169.20
9799888	Hydrogen_Bond_Donor_Count	1
12705073	Structure_Complexity	116
19360868	Defined_Atom_Stereo_Count	0
12295520	Defined_Bond_Stereo_Count	0
17275	Hydrogen_Bond_Acceptor_Count	2
300166	Total_Formal_Charge	0
75987479	Defined_Atom_Stereo_Count	0
22812306	Defined_Bond_Stereo_Count	0
72732	Molecular_Weight	242.27
9890250	Non-hydrogen_Atom_Count	31
1999	Molecular_Weight	248.28
161656	Isotope_Atom_Count	0
90390	Rotatable_Bond_Count	2
17754220	Undefined_Atom_Stereo_Count	0
57927934	Hydrogen_Bond_Donor_Count	2
59310309	Undefined_Atom_Stereo_Count	0
19709	TPSA	26
123597	Total_Formal_Charge	0
23676225	Structure_Complexity	682
145130580	Exact_Mass	96.057514874
54610537	Hydrogen_Bond_Acceptor_Count	4
2947	Hydrogen_Bond_Donor_Count	1
54265485	Structure_Complexity	86.5
23532162	Undefined_Atom_Stereo_Count	0
3420996	Isotope_Atom_Count	0
90479798	Structure_Complexity	1940
5463081	Exact_Mass	120.093900383
129636048	Defined_Atom_Stereo_Count	6
398517	Exact_Mass	410.14126175
2762894	Structure_Complexity	72.9
61184	Structure_Complexity	86.9
13388558	Molecular_Weight	310.27
5367588	Hydrogen_Bond_Acceptor_Count	0
18316	Exact_Mass	254.224580195
138115739	Covalent_Unit_Count	4
14266	Hydrogen_Bond_Donor_Count	0
4529	Non-hydrogen_Atom_Count	53
10559	XLogP3-AA	2.8
35343	TPSA	0
56679001	Isotope_Atom_Count	0
56666341	Defined_Bond_Stereo_Count	0
859783	Undefined_Bond_Stereo_Count	0
78032	Hydrogen_Bond_Acceptor_Count	7
16698	Undefined_Bond_Stereo_Count	0
20626699	Defined_Atom_Stereo_Count	0
71401	Isotope_Atom_Count	0
131705644	Total_Formal_Charge	0
3000667	Mono_Isotopic_Weight	319.14197277
87279996	Hydrogen_Bond_Donor_Count	1
11386761	Covalent_Unit_Count	1
45488116	Isotope_Atom_Count	0
42648	Total_Formal_Charge	0
10162742	Exact_Mass	478.30562448
404566	Non-hydrogen_Atom_Count	23
139631450	XLogP3-AA	1
92563	Defined_Bond_Stereo_Count	0
22137184	Mono_Isotopic_Weight	98.073164938
88850	Defined_Bond_Stereo_Count	0
1518	Mono_Isotopic_Weight	242.154489261
153305234	Rotatable_Bond_Count	4
18626415	Structure_Complexity	63.1
6610	Tautomer_Count	4
67403	TPSA	60.7
991601	Defined_Bond_Stereo_Count	0
26903	Covalent_Unit_Count	1
175512	Rotatable_Bond_Count	8
91601	Defined_Atom_Stereo_Count	0
32575	Non-hydrogen_Atom_Count	21
3000825	Total_Formal_Charge	0
1951	Defined_Bond_Stereo_Count	0
1647	TPSA	49.8
142552	Defined_Bond_Stereo_Count	0
6335487	Hydrogen_Bond_Acceptor_Count	7
1169	Non-hydrogen_Atom_Count	44
66827	Hydrogen_Bond_Acceptor_Count	2
20387241	Defined_Atom_Stereo_Count	0
12425338	Undefined_Bond_Stereo_Count	0
135643052	Defined_Bond_Stereo_Count	1
254021	Mono_Isotopic_Weight	223.063328530
3029	Structure_Complexity	751
4916	Undefined_Bond_Stereo_Count	0
9411	Covalent_Unit_Count	1
13166771	TPSA	9.2
409471	Isotope_Atom_Count	0
101012	Mono_Isotopic_Weight	220.98165005
4168142	Defined_Atom_Stereo_Count	0
78362	Mono_Isotopic_Weight	158.011627311
151085	XLogP3-AA	0.2
36663	Rotatable_Bond_Count	3
135539077	Total_Formal_Charge	0
58516110	Hydrogen_Bond_Donor_Count	2
4809	Non-hydrogen_Atom_Count	43
2724123	Mono_Isotopic_Weight	111.068413911
7951	Rotatable_Bond_Count	0
449284	Non-hydrogen_Atom_Count	29
23691042	Undefined_Bond_Stereo_Count	0
135678081	Hydrogen_Bond_Acceptor_Count	12
10887853	TPSA	28.2
141691	Undefined_Bond_Stereo_Count	0
5305	Exact_Mass	390.230728204
12386878	Defined_Bond_Stereo_Count	0
101094784	Hydrogen_Bond_Acceptor_Count	5
521993	XLogP3-AA	0.5
87757577	Defined_Bond_Stereo_Count	0
5463081	Tautomer_Count	1
6736	Defined_Atom_Stereo_Count	0
616236	Hydrogen_Bond_Acceptor_Count	3
53364498	Undefined_Bond_Stereo_Count	0
12553930	Covalent_Unit_Count	1
73219	Exact_Mass	234.161979940
94675	Molecular_Weight	262.23
19954	Exact_Mass	186.090546336
70693267	Exact_Mass	529.1629153
7225	Mono_Isotopic_Weight	133.052763847
70190	Defined_Bond_Stereo_Count	0
20220682	Hydrogen_Bond_Acceptor_Count	2
14017	Isotope_Atom_Count	0
75800	Defined_Atom_Stereo_Count	0
141630	Defined_Atom_Stereo_Count	0
54901	Defined_Bond_Stereo_Count	0
83053	Non-hydrogen_Atom_Count	15
6918188	Exact_Mass	733.15140
521962	XLogP3-AA	3.2
129858308	XLogP3-AA	0.9
165892084	Rotatable_Bond_Count	0
57136377	Structure_Complexity	62.7
8523	TPSA	23.6
62779	Undefined_Atom_Stereo_Count	0
4937	Molecular_Weight	229.71
11412863	Exact_Mass	192.0828400
52948200	Defined_Atom_Stereo_Count	1
85289	Non-hydrogen_Atom_Count	40
25352	Total_Formal_Charge	0
56683653	Defined_Bond_Stereo_Count	0
50918929	Undefined_Bond_Stereo_Count	0
115157	Defined_Bond_Stereo_Count	0
443604	Mono_Isotopic_Weight	493.32258015
419176	Defined_Atom_Stereo_Count	0
25245167	Exact_Mass	122.98472060
7055	Total_Formal_Charge	0
130554629	Undefined_Bond_Stereo_Count	0
1746	TPSA	79.8
60195813	Structure_Complexity	434
40467008	Defined_Bond_Stereo_Count	0
9824345	TPSA	108
181674	Covalent_Unit_Count	1
5351548	TPSA	215
14420972	Mono_Isotopic_Weight	140.076974926
6478035	Tautomer_Count	2
6514	Total_Formal_Charge	0
162652	Tautomer_Count	1
44366214	Exact_Mass	1034.55759593
117915	Structure_Complexity	105
67533	TPSA	6.5
62708	Undefined_Bond_Stereo_Count	0
1804	Hydrogen_Bond_Donor_Count	1
134688691	Total_Formal_Charge	0
26868	Molecular_Weight	535.5
75834	Structure_Complexity	228
51055169	Covalent_Unit_Count	1
706167	Molecular_Weight	325.69
70580528	Defined_Atom_Stereo_Count	7
3544	Mono_Isotopic_Weight	251.07284784
12313776	Isotope_Atom_Count	0
92211533	Hydrogen_Bond_Acceptor_Count	7
247769	Hydrogen_Bond_Donor_Count	1
9973799	XLogP3-AA	4.6
90165975	Defined_Atom_Stereo_Count	6
71435	Covalent_Unit_Count	3
65043	Undefined_Atom_Stereo_Count	0
67329	Isotope_Atom_Count	0
8501	Undefined_Atom_Stereo_Count	0
86287410	Molecular_Weight	315.4
2122	Structure_Complexity	614
15891	Tautomer_Count	1
6316	Isotope_Atom_Count	0
140734	XLogP3-AA	1.2
133083713	Covalent_Unit_Count	1
137553932	Mono_Isotopic_Weight	354.15646954
14967651	TPSA	17.1
139066803	Mono_Isotopic_Weight	440.20009678
6604561	Total_Formal_Charge	0
99404	Isotope_Atom_Count	0
447634	Undefined_Atom_Stereo_Count	0
3796816	Total_Formal_Charge	0
12263	Hydrogen_Bond_Acceptor_Count	2
85760873	XLogP3-AA	2.2
51392	Hydrogen_Bond_Acceptor_Count	2
62760	Tautomer_Count	1
67807	Defined_Bond_Stereo_Count	0
6529	Molecular_Weight	368.4
12275548	Mono_Isotopic_Weight	376.07943208
19998	Rotatable_Bond_Count	2
81233	Non-hydrogen_Atom_Count	14
23678591	Defined_Atom_Stereo_Count	0
415984	Defined_Bond_Stereo_Count	0
57280823	Covalent_Unit_Count	1
19754146	Undefined_Bond_Stereo_Count	0
12359154	Non-hydrogen_Atom_Count	20
194519	Hydrogen_Bond_Donor_Count	0
72929	Undefined_Atom_Stereo_Count	0
54688694	Structure_Complexity	1010
66573	Exact_Mass	240.089877630
55288256	Covalent_Unit_Count	1
155804760	Defined_Bond_Stereo_Count	0
18616052	Non-hydrogen_Atom_Count	8
10772948	Hydrogen_Bond_Donor_Count	0
11612445	Undefined_Bond_Stereo_Count	0
12855889	Structure_Complexity	1950
53708	Hydrogen_Bond_Donor_Count	2
132837	Undefined_Atom_Stereo_Count	0
20194949	Mono_Isotopic_Weight	114.02294089
21450089	TPSA	9.2
21903	Defined_Bond_Stereo_Count	0
5005498	Defined_Bond_Stereo_Count	0
159772	Tautomer_Count	4
24829330	Hydrogen_Bond_Acceptor_Count	6
298	Isotope_Atom_Count	0
9964258	Non-hydrogen_Atom_Count	12
220212	Non-hydrogen_Atom_Count	8
23695542	TPSA	74.8
68869	Total_Formal_Charge	0
7819	XLogP3	2.2
9567537	Covalent_Unit_Count	1
134158431	Exact_Mass	245.16270821
5363685	Total_Formal_Charge	0
90181814	Total_Formal_Charge	0
71857	Non-hydrogen_Atom_Count	27
14079973	Hydrogen_Bond_Acceptor_Count	3
33474	Hydrogen_Bond_Acceptor_Count	3
23038090	Total_Formal_Charge	0
5748846	Molecular_Weight	523.6
66823423	Mono_Isotopic_Weight	135.00447060
93535113	Non-hydrogen_Atom_Count	19
54110642	Total_Formal_Charge	0
677105	Defined_Bond_Stereo_Count	0
941361	Non-hydrogen_Atom_Count	30
14523552	Covalent_Unit_Count	1
10628031	Non-hydrogen_Atom_Count	45
193653	Hydrogen_Bond_Donor_Count	3
96033	Defined_Atom_Stereo_Count	0
6321405	Hydrogen_Bond_Donor_Count	1
81325	Non-hydrogen_Atom_Count	12
71773445	Exact_Mass	552.03040840
73707	XLogP3-AA	5.5
5284600	Hydrogen_Bond_Acceptor_Count	5
16005120	Hydrogen_Bond_Acceptor_Count	1
12989	Covalent_Unit_Count	1
998	Isotope_Atom_Count	0
9806063	Isotope_Atom_Count	0
13352438	Hydrogen_Bond_Acceptor_Count	2
94960	Hydrogen_Bond_Acceptor_Count	3
5243	Molecular_Weight	437.4
10200813	Total_Formal_Charge	0
11908488	Undefined_Bond_Stereo_Count	0
15951489	Molecular_Weight	372.4
12096001	Isotope_Atom_Count	0
19816560	Molecular_Weight	103.16
68120	Hydrogen_Bond_Acceptor_Count	2
11526038	Molecular_Weight	490.5
4971	Isotope_Atom_Count	0
123963	Mono_Isotopic_Weight	204.089877630
3299	Total_Formal_Charge	0
26129	Undefined_Atom_Stereo_Count	0
20093437	Total_Formal_Charge	0
718862	Structure_Complexity	347
10491069	Molecular_Weight	253.21
625277	Defined_Bond_Stereo_Count	0
70682213	Undefined_Atom_Stereo_Count	0
7165	Structure_Complexity	126
57236595	TPSA	46.5
95961	Hydrogen_Bond_Donor_Count	1
69236	Total_Formal_Charge	0
46201499	Non-hydrogen_Atom_Count	11
11768523	Mono_Isotopic_Weight	106.053098200
163781	Tautomer_Count	1000
33190	Hydrogen_Bond_Acceptor_Count	12
11643846	Exact_Mass	1201.84136802
39912	Total_Formal_Charge	0
71449989	Defined_Bond_Stereo_Count	0
637563	TPSA	9.2
57303454	Non-hydrogen_Atom_Count	7
164333	Isotope_Atom_Count	0
26868	Defined_Atom_Stereo_Count	0
25256833	Mono_Isotopic_Weight	275.18584370
7274	Exact_Mass	126.068079557
10409	Undefined_Atom_Stereo_Count	0
5282474	Non-hydrogen_Atom_Count	35
4011	Defined_Bond_Stereo_Count	0
98651	Undefined_Atom_Stereo_Count	0
57249823	XLogP3-AA	1.1
16759177	Non-hydrogen_Atom_Count	26
968688	Hydrogen_Bond_Donor_Count	0
13615995	Mono_Isotopic_Weight	204.13615911
134393564	Isotope_Atom_Count	0
125889	Exact_Mass	159.125928785
13501022	Defined_Bond_Stereo_Count	0
68651	Defined_Atom_Stereo_Count	0
142834	Defined_Atom_Stereo_Count	0
133090	Defined_Bond_Stereo_Count	0
64423	Non-hydrogen_Atom_Count	22
123224323	Isotope_Atom_Count	0
124427842	Total_Formal_Charge	0
5808883	Defined_Atom_Stereo_Count	0
41897	Isotope_Atom_Count	0
47319	XLogP3-AA	7.9
237766	Non-hydrogen_Atom_Count	19
566455	Total_Formal_Charge	0
5053	Tautomer_Count	1
14147082	Defined_Atom_Stereo_Count	0
13285535	Mono_Isotopic_Weight	226.074227566
11672764	Total_Formal_Charge	0
548945	XLogP3-AA	3.5
12116	Structure_Complexity	193
51763	Non-hydrogen_Atom_Count	16
146158340	TPSA	157
34260	Undefined_Atom_Stereo_Count	2
77487	Structure_Complexity	118
15053	XLogP3-AA	0.8
135403804	Rotatable_Bond_Count	2
71758314	TPSA	37.3
10298	Hydrogen_Bond_Acceptor_Count	3
11260	Undefined_Atom_Stereo_Count	1
12749319	XLogP3-AA	1.7
649230	Exact_Mass	424.16343649
44525553	Hydrogen_Bond_Acceptor_Count	6
65079	Covalent_Unit_Count	1
74195	Undefined_Atom_Stereo_Count	0
20035332	Undefined_Atom_Stereo_Count	0
11617559	Covalent_Unit_Count	1
13199930	Tautomer_Count	1
21255244	Hydrogen_Bond_Acceptor_Count	3
54682938	Undefined_Bond_Stereo_Count	0
22947120	Structure_Complexity	126
657731	Exact_Mass	292.02113
118984355	Undefined_Bond_Stereo_Count	0
44521018	Total_Formal_Charge	0
139383946	Isotope_Atom_Count	0
10028830	Hydrogen_Bond_Donor_Count	4
40428945	Exact_Mass	123.019452343
15179723	Structure_Complexity	62.7
12694695	Covalent_Unit_Count	1
66545764	Rotatable_Bond_Count	8
11771234	Hydrogen_Bond_Donor_Count	2
6620134	Exact_Mass	445.20015635
7200	XLogP3	1.5
89268685	Covalent_Unit_Count	1
3913	Undefined_Bond_Stereo_Count	0
15586	Defined_Atom_Stereo_Count	0
10080395	Molecular_Weight	120.58
8799	Mono_Isotopic_Weight	359.960203
3540	Undefined_Atom_Stereo_Count	0
108108	Total_Formal_Charge	0
21185399	Structure_Complexity	72.5
9912474	Total_Formal_Charge	0
122672078	XLogP3-AA	1.2
88953	Exact_Mass	409.23654186
30140	Non-hydrogen_Atom_Count	10
135398655	Molecular_Weight	589.3
1009	Defined_Bond_Stereo_Count	0
5491295	Non-hydrogen_Atom_Count	32
13207481	Defined_Bond_Stereo_Count	0
10161305	Hydrogen_Bond_Donor_Count	2
11988953	Undefined_Atom_Stereo_Count	0
4178	Hydrogen_Bond_Acceptor_Count	2
138275	Structure_Complexity	138
87187299	Non-hydrogen_Atom_Count	14
11347670	Exact_Mass	317.152812238
101100163	Undefined_Bond_Stereo_Count	0
80252	Tautomer_Count	1
163317	Defined_Bond_Stereo_Count	0
57829	Isotope_Atom_Count	0
6717	Total_Formal_Charge	0
72015	Mono_Isotopic_Weight	339.12527733
1479778	Undefined_Bond_Stereo_Count	0
92139	Defined_Bond_Stereo_Count	0
2723772	Tautomer_Count	3
13889162	Molecular_Weight	354.35
339213	Undefined_Atom_Stereo_Count	0
8201	Covalent_Unit_Count	1
61524	Defined_Bond_Stereo_Count	0
6627	Hydrogen_Bond_Acceptor_Count	0
70696850	Rotatable_Bond_Count	6
34408	Hydrogen_Bond_Donor_Count	0
69049742	Total_Formal_Charge	0
10777574	Exact_Mass	258.05581460
164652	Hydrogen_Bond_Donor_Count	4
57394389	Covalent_Unit_Count	1
90904309	Defined_Bond_Stereo_Count	0
533662	TPSA	9.2
90937445	Molecular_Weight	905.0
139063576	Hydrogen_Bond_Acceptor_Count	4
163316	Tautomer_Count	2
11705141	XLogP3-AA	4.5
145913182	Undefined_Bond_Stereo_Count	0
134150	Undefined_Atom_Stereo_Count	0
21778241	Undefined_Bond_Stereo_Count	0
71301229	Molecular_Weight	754.6
3032307	Defined_Bond_Stereo_Count	0
643312	Hydrogen_Bond_Donor_Count	2
86767860	Isotope_Atom_Count	0
61151	Mono_Isotopic_Weight	166.062994177
13189	Tautomer_Count	1
46216142	Rotatable_Bond_Count	3
19966840	Rotatable_Bond_Count	0
62576	Rotatable_Bond_Count	4
6585	Non-hydrogen_Atom_Count	5
46631	Total_Formal_Charge	0
136920818	Defined_Bond_Stereo_Count	0
9085	Undefined_Atom_Stereo_Count	0
1615208	TPSA	70.1
81080	Exact_Mass	254.15180918
82412	Defined_Atom_Stereo_Count	0
40469150	Hydrogen_Bond_Acceptor_Count	11
30251	Defined_Atom_Stereo_Count	0
68157	Tautomer_Count	1
4451	Undefined_Atom_Stereo_Count	5
73353803	Defined_Atom_Stereo_Count	1
9571016	Mono_Isotopic_Weight	576.156552
123392765	Exact_Mass	363.19467705
735833	Exact_Mass	166.04300762
285097	Molecular_Weight	184.27
96335	Defined_Atom_Stereo_Count	0
67108333	Isotope_Atom_Count	0
19587	Defined_Atom_Stereo_Count	0
25015692	Rotatable_Bond_Count	7
14577084	Rotatable_Bond_Count	0
62531	Defined_Bond_Stereo_Count	0
72378	Isotope_Atom_Count	0
21989049	Isotope_Atom_Count	0
516872	Molecular_Weight	97.18
17522	Molecular_Weight	243.22
14920523	Hydrogen_Bond_Donor_Count	0
165339206	Undefined_Atom_Stereo_Count	0
7338	TPSA	29.5
5365585	Hydrogen_Bond_Acceptor_Count	0
57286318	TPSA	45.4
19543	Defined_Atom_Stereo_Count	0
24883	Defined_Bond_Stereo_Count	0
4136	Hydrogen_Bond_Donor_Count	1
9356	Tautomer_Count	1
866430	Rotatable_Bond_Count	3
11105318	TPSA	26
5276520	Undefined_Atom_Stereo_Count	0
44590447	Defined_Bond_Stereo_Count	0
21977681	Rotatable_Bond_Count	6
19787449	Total_Formal_Charge	0
139291707	Exact_Mass	1137.4964
281459	Hydrogen_Bond_Acceptor_Count	2
11252	Defined_Atom_Stereo_Count	0
249006	Hydrogen_Bond_Donor_Count	2
5810	Rotatable_Bond_Count	1
443310	Defined_Atom_Stereo_Count	0
65983891	Molecular_Weight	98.10
101771	Exact_Mass	334.25079494
66755	Defined_Atom_Stereo_Count	0
101602	Rotatable_Bond_Count	2
11412	Exact_Mass	114.140850574
6158	Undefined_Bond_Stereo_Count	0
15559317	Mono_Isotopic_Weight	842.51400504
25203302	Covalent_Unit_Count	1
5281794	Defined_Atom_Stereo_Count	0
5282110	Undefined_Atom_Stereo_Count	0
15213038	Non-hydrogen_Atom_Count	6
26747	Rotatable_Bond_Count	7
65410	Undefined_Atom_Stereo_Count	2
135692718	TPSA	50.7
21914506	Undefined_Atom_Stereo_Count	2
45006125	Total_Formal_Charge	0
3083868	Tautomer_Count	1
92270	Defined_Bond_Stereo_Count	0
123208701	Rotatable_Bond_Count	1
6815	Molecular_Weight	382.6
86200	Non-hydrogen_Atom_Count	17
691409	Exact_Mass	319.06267708
197861	Mono_Isotopic_Weight	195.162314293
129319344	Hydrogen_Bond_Acceptor_Count	2
2775003	Undefined_Bond_Stereo_Count	0
59111489	Undefined_Atom_Stereo_Count	6
24436	Tautomer_Count	1
5284594	Molecular_Weight	339.4
2734931	Rotatable_Bond_Count	2
25015463	Mono_Isotopic_Weight	521.31143813
92722	Defined_Atom_Stereo_Count	3
1374121	Defined_Atom_Stereo_Count	0
1810216	Defined_Atom_Stereo_Count	0
6445786	Undefined_Atom_Stereo_Count	2
16683012	Isotope_Atom_Count	0
76579279	TPSA	40.5
58247512	XLogP3-AA	1.3
49808	Rotatable_Bond_Count	6
118285	Hydrogen_Bond_Donor_Count	2
134694634	XLogP3-AA	6
76344	Rotatable_Bond_Count	4
40100	TPSA	144
54587226	Molecular_Weight	366.4
79045	Isotope_Atom_Count	0
66708	XLogP3-AA	2
91017818	Undefined_Bond_Stereo_Count	0
61899	Tautomer_Count	1
4459	Isotope_Atom_Count	0
3553	Undefined_Atom_Stereo_Count	8
86388	Molecular_Weight	335.4
39622	Structure_Complexity	529
2781329	Non-hydrogen_Atom_Count	8
70682212	Hydrogen_Bond_Donor_Count	1
14840499	Defined_Bond_Stereo_Count	0
9571009	Isotope_Atom_Count	0
45791267	Defined_Bond_Stereo_Count	0
44404657	Rotatable_Bond_Count	11
134593	Non-hydrogen_Atom_Count	8
706	Mono_Isotopic_Weight	382.13102722
14294923	Hydrogen_Bond_Donor_Count	1
14535399	Undefined_Atom_Stereo_Count	1
146157727	Total_Formal_Charge	0
3811100	Covalent_Unit_Count	1
3715739	Molecular_Weight	219.27
134919	Undefined_Atom_Stereo_Count	0
66545743	Hydrogen_Bond_Donor_Count	1
840853	Non-hydrogen_Atom_Count	13
98675	Isotope_Atom_Count	0
6441388	Non-hydrogen_Atom_Count	44
15559317	XLogP3-AA	2.1
5019	Total_Formal_Charge	0
9838022	Rotatable_Bond_Count	5
3014295	Total_Formal_Charge	0
2844	Molecular_Weight	612.7
53507	Non-hydrogen_Atom_Count	24
55802	Structure_Complexity	164
11985	Rotatable_Bond_Count	0
22096568	Mono_Isotopic_Weight	63.02684640
71336	Isotope_Atom_Count	0
165363121	Undefined_Bond_Stereo_Count	0
10176082	Rotatable_Bond_Count	0
10895	Non-hydrogen_Atom_Count	9
21651128	Molecular_Weight	117.15
62783	Undefined_Bond_Stereo_Count	0
53326857	XLogP3-AA	2.3
72823952	Undefined_Bond_Stereo_Count	0
36750	Molecular_Weight	341.4
42291	Undefined_Bond_Stereo_Count	0
96670	TPSA	50.4
16555	TPSA	104
119097556	Undefined_Bond_Stereo_Count	0
161588	Rotatable_Bond_Count	3
18343309	Rotatable_Bond_Count	2
89159	XLogP3-AA	1.6
168083	Undefined_Bond_Stereo_Count	0
62865	Undefined_Bond_Stereo_Count	0
90722224	Mono_Isotopic_Weight	112.088815002
10181898	Rotatable_Bond_Count	5
90472752	Tautomer_Count	1
55352	Defined_Bond_Stereo_Count	0
7977	Rotatable_Bond_Count	0
11370864	Mono_Isotopic_Weight	327.1156697
10402760	Rotatable_Bond_Count	6
16211761	XLogP3-AA	6.1
197344	Structure_Complexity	388
24901348	Rotatable_Bond_Count	11
453131	Exact_Mass	343.14197277
16665100	Mono_Isotopic_Weight	461.23145648
8512	Molecular_Weight	224.21
65057	Defined_Bond_Stereo_Count	0
5101	Defined_Atom_Stereo_Count	0
65105	TPSA	52.3
5491930	Exact_Mass	78.00654193
42985	Exact_Mass	495.33083616
5352845	XLogP3-AA	4.6
67520	Exact_Mass	81.032697108
315201	Undefined_Atom_Stereo_Count	2
239819	Defined_Bond_Stereo_Count	0
20493118	Undefined_Atom_Stereo_Count	2
135413508	Non-hydrogen_Atom_Count	81
45357563	Exact_Mass	406.21555225
9936746	Molecular_Weight	492.0
3664740	Structure_Complexity	509
8203	Non-hydrogen_Atom_Count	21
446201	Undefined_Atom_Stereo_Count	0
12008703	Mono_Isotopic_Weight	105.057849228
24892722	Structure_Complexity	151
528917	Hydrogen_Bond_Donor_Count	0
2673	Isotope_Atom_Count	0
7510	Hydrogen_Bond_Acceptor_Count	2
5358907	Structure_Complexity	391
132998	Non-hydrogen_Atom_Count	30
133655777	Rotatable_Bond_Count	6
18101	Total_Formal_Charge	0
359231	TPSA	20.2
42890	Undefined_Bond_Stereo_Count	0
5311032	Rotatable_Bond_Count	14
54581861	Hydrogen_Bond_Donor_Count	1
25246317	Exact_Mass	1092.64306214
49867936	Exact_Mass	516.0873659
9641	Structure_Complexity	200
6914282	Hydrogen_Bond_Donor_Count	3
115157	Isotope_Atom_Count	0
129533	Rotatable_Bond_Count	3
25715	Hydrogen_Bond_Acceptor_Count	9
22129000	Covalent_Unit_Count	1
52948146	Rotatable_Bond_Count	5
25100740	Undefined_Atom_Stereo_Count	0
83403	Molecular_Weight	200.23
107780	Isotope_Atom_Count	0
441290	Hydrogen_Bond_Donor_Count	1
19974934	Hydrogen_Bond_Donor_Count	0
84506	Hydrogen_Bond_Acceptor_Count	6
54677674	Rotatable_Bond_Count	6
118210179	Hydrogen_Bond_Acceptor_Count	4
439224	Exact_Mass	226.10659032
71335	Hydrogen_Bond_Acceptor_Count	7
30489	Hydrogen_Bond_Acceptor_Count	1
68072	Defined_Atom_Stereo_Count	0
18598488	Structure_Complexity	119
83295	Non-hydrogen_Atom_Count	29
91881846	Undefined_Bond_Stereo_Count	0
163321054	Hydrogen_Bond_Donor_Count	8
9574768	XLogP3-AA	1.9
71371762	Isotope_Atom_Count	0
22084396	Defined_Bond_Stereo_Count	0
22418719	Total_Formal_Charge	0
12406	Mono_Isotopic_Weight	352.406901659
15903	Hydrogen_Bond_Donor_Count	0
95200	Hydrogen_Bond_Donor_Count	0
21326740	Hydrogen_Bond_Donor_Count	2
2783176	XLogP3-AA	1.4
3083444	TPSA	761
31011	Rotatable_Bond_Count	3
149519	Non-hydrogen_Atom_Count	26
16659682	Rotatable_Bond_Count	6
50224	Undefined_Bond_Stereo_Count	0
8742	Non-hydrogen_Atom_Count	12
68078	Hydrogen_Bond_Acceptor_Count	2
6557	Total_Formal_Charge	0
15932798	Isotope_Atom_Count	0
123909	Undefined_Atom_Stereo_Count	1
16033	Undefined_Bond_Stereo_Count	0
157857	Hydrogen_Bond_Donor_Count	1
5284350	Isotope_Atom_Count	0
21805409	Non-hydrogen_Atom_Count	7
148362624	Defined_Bond_Stereo_Count	0
818	Total_Formal_Charge	0
1561	Undefined_Atom_Stereo_Count	0
13854	Non-hydrogen_Atom_Count	7
9945927	Rotatable_Bond_Count	5
6708	Covalent_Unit_Count	1
134826475	Structure_Complexity	809
70689065	Defined_Atom_Stereo_Count	0
134754219	Covalent_Unit_Count	1
3034655	Isotope_Atom_Count	0
23268532	Defined_Bond_Stereo_Count	0
23725063	TPSA	141
46782362	Tautomer_Count	1
649	Hydrogen_Bond_Donor_Count	2
18336916	Exact_Mass	97.089149355
12542	Undefined_Bond_Stereo_Count	0
1718	Defined_Atom_Stereo_Count	0
3082780	Hydrogen_Bond_Acceptor_Count	2
10125048	Hydrogen_Bond_Donor_Count	2
102657	Undefined_Bond_Stereo_Count	0
71171	Exact_Mass	679.26758446
551434	Hydrogen_Bond_Acceptor_Count	2
56683653	Exact_Mass	546.2258500
67240072	Undefined_Atom_Stereo_Count	0
63801	Non-hydrogen_Atom_Count	37
15927	Covalent_Unit_Count	2
102146	Exact_Mass	316.240230259
2734040	Hydrogen_Bond_Acceptor_Count	2
70580528	Isotope_Atom_Count	0
4011971	Undefined_Bond_Stereo_Count	0
17593	Hydrogen_Bond_Acceptor_Count	2
17751002	Defined_Atom_Stereo_Count	3
68702	Hydrogen_Bond_Donor_Count	1
76538949	Mono_Isotopic_Weight	102.079312947
54530170	Isotope_Atom_Count	0
10784	Molecular_Weight	220.01
83064	Exact_Mass	318.09508215
167811	Exact_Mass	407.18616006
718618	Hydrogen_Bond_Acceptor_Count	4
64819	Defined_Bond_Stereo_Count	0
58098237	Defined_Bond_Stereo_Count	0
12252708	Hydrogen_Bond_Donor_Count	2
12124007	Defined_Bond_Stereo_Count	0
54886	Hydrogen_Bond_Donor_Count	0
19784587	Undefined_Atom_Stereo_Count	1
351795	Molecular_Weight	156.18
2752588	Hydrogen_Bond_Donor_Count	1
96350	Tautomer_Count	1
14982	XLogP3-AA	3.7
9136	Structure_Complexity	266
11370864	Tautomer_Count	1
10059810	Hydrogen_Bond_Donor_Count	3
52949760	Mono_Isotopic_Weight	369.18748367
141959525	TPSA	12
222714	Undefined_Atom_Stereo_Count	1
47326	Mono_Isotopic_Weight	349.16779360
69229	Mono_Isotopic_Weight	182.06914219
826479	Mono_Isotopic_Weight	236.08441558
520305	Defined_Atom_Stereo_Count	0
77756	Structure_Complexity	179
367985	Mono_Isotopic_Weight	257.07351655
11993	Total_Formal_Charge	0
6918686	TPSA	119
77763	Hydrogen_Bond_Donor_Count	1
49865493	Defined_Atom_Stereo_Count	0
66374	Hydrogen_Bond_Donor_Count	0
42373	Tautomer_Count	4
44119603	Covalent_Unit_Count	1
12872197	XLogP3-AA	0
11372270	Structure_Complexity	624
94297	Hydrogen_Bond_Donor_Count	0
71406	XLogP3-AA	9.9
86733068	Defined_Atom_Stereo_Count	0
39268	Structure_Complexity	436
136382971	Covalent_Unit_Count	1
1083	Tautomer_Count	4
6451257	XLogP3	0.9
135554441	Rotatable_Bond_Count	6
9012	Covalent_Unit_Count	1
75341	XLogP3	2.2
127150	Hydrogen_Bond_Acceptor_Count	7
40585	Undefined_Bond_Stereo_Count	0
676157	Tautomer_Count	11
8109	Molecular_Weight	104.15
520527	Mono_Isotopic_Weight	80.062600255
6537488	Covalent_Unit_Count	1
75502	Exact_Mass	342.27700969
12711588	Mono_Isotopic_Weight	116.047344113
11286501	Defined_Bond_Stereo_Count	0
4494	Total_Formal_Charge	0
9886249	Structure_Complexity	698
208880	XLogP3-AA	0.5
69318	Tautomer_Count	1
4011	Isotope_Atom_Count	0
519247	XLogP3-AA	1.1
95961	Molecular_Weight	140.14
68245262	Covalent_Unit_Count	1
67533	Mono_Isotopic_Weight	338.1316542
25271979	Structure_Complexity	405
46900403	Undefined_Atom_Stereo_Count	1
7861	Structure_Complexity	17.2
7945	Undefined_Atom_Stereo_Count	0
36688490	Covalent_Unit_Count	1
8272	Hydrogen_Bond_Donor_Count	2
20498	Total_Formal_Charge	0
74170	Non-hydrogen_Atom_Count	6
53627566	Hydrogen_Bond_Donor_Count	0
42104317	Undefined_Atom_Stereo_Count	0
4927	Covalent_Unit_Count	1
65492	Mono_Isotopic_Weight	776.8541
14121451	Covalent_Unit_Count	1
58996537	Defined_Atom_Stereo_Count	0
68157	TPSA	21.6
403016	Molecular_Weight	455.5
15442732	Defined_Atom_Stereo_Count	0
46882191	Rotatable_Bond_Count	4
98324	Non-hydrogen_Atom_Count	12
164912	Undefined_Atom_Stereo_Count	0
83346	Hydrogen_Bond_Acceptor_Count	2
522636	Non-hydrogen_Atom_Count	25
53735	Hydrogen_Bond_Acceptor_Count	4
21453	Total_Formal_Charge	0
24211936	XLogP3	0.9
158524	Hydrogen_Bond_Donor_Count	0
9164	Mono_Isotopic_Weight	278.109550447
14720269	Tautomer_Count	1
15222	Exact_Mass	253.204179104
17111	Defined_Bond_Stereo_Count	0
7292	Covalent_Unit_Count	1
26470525	Molecular_Weight	342.30
2734163	Covalent_Unit_Count	2
9799	Exact_Mass	394.21555225
68059	Undefined_Atom_Stereo_Count	0
2040	Defined_Bond_Stereo_Count	0
963424	Mono_Isotopic_Weight	314.05475542
2487	Undefined_Atom_Stereo_Count	3
52230	Molecular_Weight	290.31
7405	TPSA	66.4
82755	TPSA	60.7
572802	Undefined_Bond_Stereo_Count	0
86018330	Mono_Isotopic_Weight	92.062600255
11636795	Covalent_Unit_Count	1
9890377	Covalent_Unit_Count	1
63893	Defined_Atom_Stereo_Count	0
70400	Hydrogen_Bond_Donor_Count	0
5280570	Undefined_Bond_Stereo_Count	0
19987011	Structure_Complexity	125
69244	Mono_Isotopic_Weight	97.089149355
13754	Molecular_Weight	288.28
8422	Mono_Isotopic_Weight	202.062994177
443943	Non-hydrogen_Atom_Count	31
6415	Molecular_Weight	296.74
123672484	TPSA	21.6
92187	Hydrogen_Bond_Acceptor_Count	3
54184524	Hydrogen_Bond_Donor_Count	1
61660	Tautomer_Count	1
30550	Structure_Complexity	651
2811	TPSA	60.9
24757924	Undefined_Bond_Stereo_Count	0
34755	Structure_Complexity	527
129873330	Molecular_Weight	98.10
3354	Non-hydrogen_Atom_Count	29
6374	Non-hydrogen_Atom_Count	4
19768890	Total_Formal_Charge	0
57402175	Hydrogen_Bond_Acceptor_Count	11
5863	Defined_Atom_Stereo_Count	7
25171662	Defined_Bond_Stereo_Count	0
74080	Molecular_Weight	106.13
57396607	Molecular_Weight	465.5
194383	Hydrogen_Bond_Donor_Count	6
890070	Defined_Bond_Stereo_Count	1
63333521	Defined_Bond_Stereo_Count	0
21470	Hydrogen_Bond_Donor_Count	0
94418	Isotope_Atom_Count	0
23622607	Molecular_Weight	503.6
3073	Total_Formal_Charge	0
77245	Total_Formal_Charge	0
10762413	Hydrogen_Bond_Acceptor_Count	3
18606	Hydrogen_Bond_Donor_Count	0
1155	TPSA	58.9
2226	Covalent_Unit_Count	1
41245	Defined_Atom_Stereo_Count	0
117938207	Isotope_Atom_Count	0
10064061	Defined_Atom_Stereo_Count	2
31263	Rotatable_Bond_Count	4
82464	Defined_Atom_Stereo_Count	0
28145931	Structure_Complexity	437
20848883	Molecular_Weight	562.1
12201380	Hydrogen_Bond_Donor_Count	0
67502	Undefined_Atom_Stereo_Count	0
75810	TPSA	55.1
11589590	Isotope_Atom_Count	0
8020	Rotatable_Bond_Count	2
58391580	XLogP3-AA	0.7
68663	Rotatable_Bond_Count	5
1394	Defined_Bond_Stereo_Count	0
53316380	TPSA	61.6
53388942	Molecular_Weight	471.5
53569	Isotope_Atom_Count	0
117709	Molecular_Weight	151.16
513886	TPSA	89.8
162569	Defined_Bond_Stereo_Count	0
5280891	XLogP3-AA	2.6
56840904	Covalent_Unit_Count	3
13715986	Total_Formal_Charge	0
11341	Tautomer_Count	1
54584098	TPSA	46.5
69975	Defined_Atom_Stereo_Count	0
44120020	Defined_Bond_Stereo_Count	0
135747	XLogP3-AA	0.3
942	Isotope_Atom_Count	0
151205	TPSA	88.6
129627867	Rotatable_Bond_Count	5
2893	Total_Formal_Charge	0
2315	Undefined_Atom_Stereo_Count	1
176170	Undefined_Atom_Stereo_Count	0
11455317	TPSA	85.1
58640	Hydrogen_Bond_Acceptor_Count	5
11842633	Defined_Atom_Stereo_Count	3
11412527	Hydrogen_Bond_Donor_Count	1
10180201	Covalent_Unit_Count	1
11608582	Covalent_Unit_Count	1
53143	TPSA	132
5362451	Defined_Bond_Stereo_Count	0
40469421	Undefined_Atom_Stereo_Count	0
65510	Total_Formal_Charge	0
134688993	TPSA	74.6
87452564	Rotatable_Bond_Count	3
9570071	Hydrogen_Bond_Acceptor_Count	4
6918003	TPSA	50.2
6386	TPSA	20.2
101191397	Hydrogen_Bond_Acceptor_Count	2
13034799	Isotope_Atom_Count	0
27197	Covalent_Unit_Count	1
74454	Total_Formal_Charge	0
15983549	Covalent_Unit_Count	1
9811353	Exact_Mass	862.34118563
57340467	Molecular_Weight	344.3
73759809	Hydrogen_Bond_Donor_Count	3
57486971	Undefined_Atom_Stereo_Count	0
70695634	Tautomer_Count	1
749	Hydrogen_Bond_Donor_Count	8
63096	Isotope_Atom_Count	0
20769610	Non-hydrogen_Atom_Count	8
25078013	Defined_Atom_Stereo_Count	0
5280724	Defined_Bond_Stereo_Count	4
20325315	Total_Formal_Charge	0
6808	Structure_Complexity	221
80426	Defined_Bond_Stereo_Count	0
690109	Rotatable_Bond_Count	1
6419	Tautomer_Count	1
4627	XLogP3-AA	1.7
13050	TPSA	46.5
12036417	Defined_Atom_Stereo_Count	0
6842999	Hydrogen_Bond_Donor_Count	0
12351158	Isotope_Atom_Count	0
78422653	Covalent_Unit_Count	1
3002003	Non-hydrogen_Atom_Count	24
133119249	Defined_Atom_Stereo_Count	5
3081078	TPSA	23.6
98051220	Defined_Atom_Stereo_Count	6
45269673	Hydrogen_Bond_Donor_Count	1
44571868	Mono_Isotopic_Weight	403.18959167
6456015	Hydrogen_Bond_Donor_Count	6
21638785	Undefined_Atom_Stereo_Count	0
9831417	Defined_Atom_Stereo_Count	2
57484	Defined_Bond_Stereo_Count	0
5287792	Covalent_Unit_Count	1
78431	Exact_Mass	239.09799996
45142026	Hydrogen_Bond_Donor_Count	2
90558	Exact_Mass	144.04225873
13194811	Rotatable_Bond_Count	3
449435	Exact_Mass	591.23157562
24721009	Tautomer_Count	1
49789564	Non-hydrogen_Atom_Count	21
175534	Mono_Isotopic_Weight	319.1702921
64962	Isotope_Atom_Count	0
2415	Undefined_Bond_Stereo_Count	0
13327309	Molecular_Weight	116.16
123133975	Defined_Atom_Stereo_Count	11
30550	Total_Formal_Charge	0
16682935	Defined_Atom_Stereo_Count	0
131698851	Rotatable_Bond_Count	10
177085	Undefined_Atom_Stereo_Count	0
51622	Molecular_Weight	268.27
5026	Non-hydrogen_Atom_Count	26
16070030	Hydrogen_Bond_Acceptor_Count	0
7991	Structure_Complexity	59.1
7165	Rotatable_Bond_Count	3
4369579	Defined_Bond_Stereo_Count	0
9903291	Molecular_Weight	259.31
5353593	Total_Formal_Charge	0
3614551	Total_Formal_Charge	0
60196336	Undefined_Bond_Stereo_Count	0
65557	Mono_Isotopic_Weight	419.24604391
10465	Exact_Mass	270.255880323
95496	Molecular_Weight	195.20
8818	Molecular_Weight	142.20
163578456	Exact_Mass	115.063328530
14066	Undefined_Atom_Stereo_Count	0
599239	Covalent_Unit_Count	1
50538	Non-hydrogen_Atom_Count	21
65275	Non-hydrogen_Atom_Count	12
32742	Defined_Bond_Stereo_Count	0
3796640	Mono_Isotopic_Weight	265.13274550
62873	Structure_Complexity	678
4017	Hydrogen_Bond_Donor_Count	18
66425	Exact_Mass	286.193280068
142809	Defined_Atom_Stereo_Count	0
325	Undefined_Bond_Stereo_Count	0
2274	Undefined_Atom_Stereo_Count	2
143494565	Exact_Mass	109.063997236
13694	Hydrogen_Bond_Acceptor_Count	0
71624469	Rotatable_Bond_Count	1
9811353	Undefined_Atom_Stereo_Count	0
21150622	Structure_Complexity	545
13388323	Defined_Atom_Stereo_Count	0
10295295	Undefined_Bond_Stereo_Count	0
6918078	Rotatable_Bond_Count	8
446320	Covalent_Unit_Count	1
57515953	Exact_Mass	460.108726
170231	Undefined_Atom_Stereo_Count	0
123959	Molecular_Weight	950.1
84361	Exact_Mass	308.11160159
887824	XLogP3-AA	2.4
3045400	Hydrogen_Bond_Acceptor_Count	5
630355	Undefined_Atom_Stereo_Count	0
84597	Covalent_Unit_Count	1
1219	Structure_Complexity	237
548945	Hydrogen_Bond_Donor_Count	0
71305057	Total_Formal_Charge	0
22512	Isotope_Atom_Count	0
143716909	Exact_Mass	112.088815002
4228493	XLogP3-AA	1.8
114612	Total_Formal_Charge	0
538333	Defined_Bond_Stereo_Count	0
20548464	Total_Formal_Charge	0
70685697	Structure_Complexity	491
30175	Isotope_Atom_Count	0
15817841	Hydrogen_Bond_Donor_Count	3
1597	Molecular_Weight	554.8
87985	Rotatable_Bond_Count	3
440466	Undefined_Bond_Stereo_Count	0
551174	Undefined_Atom_Stereo_Count	0
3178	Molecular_Weight	443.5
22125	Structure_Complexity	395
98954	Mono_Isotopic_Weight	156.115029749
92028754	Mono_Isotopic_Weight	69.9665510
15150444	Molecular_Weight	83.13
153884978	XLogP3-AA	0.8
11787	TPSA	20.2
12201383	Exact_Mass	107.048347172
14677	Structure_Complexity	339
441467	Hydrogen_Bond_Acceptor_Count	7
680036	Undefined_Atom_Stereo_Count	0
115116	Hydrogen_Bond_Acceptor_Count	3
70129	Structure_Complexity	139
57396473	Undefined_Atom_Stereo_Count	0
643984	Hydrogen_Bond_Donor_Count	1
11126361	Covalent_Unit_Count	1
240	Defined_Atom_Stereo_Count	0
79618	Hydrogen_Bond_Acceptor_Count	2
11374	Mono_Isotopic_Weight	145.052763847
14911569	Total_Formal_Charge	0
12040509	Mono_Isotopic_Weight	503.13471767
67413	TPSA	284
2529	Total_Formal_Charge	0
2218	Undefined_Atom_Stereo_Count	0
71449585	Defined_Atom_Stereo_Count	0
135529432	Hydrogen_Bond_Donor_Count	3
67387401	Rotatable_Bond_Count	0
459971	Mono_Isotopic_Weight	376.19106883
5280637	Total_Formal_Charge	0
7392	Structure_Complexity	143
101103333	TPSA	0
11815279	Rotatable_Bond_Count	2
12416832	Isotope_Atom_Count	0
740525	Isotope_Atom_Count	0
11120	Structure_Complexity	92.6
9549168	Undefined_Bond_Stereo_Count	0
8425	Molecular_Weight	218.68
18850	Exact_Mass	82.078250319
65576	Isotope_Atom_Count	0
13659	Hydrogen_Bond_Donor_Count	0
50222	Non-hydrogen_Atom_Count	31
5927	Tautomer_Count	1
91864743	Mono_Isotopic_Weight	521.8583111
17586	Hydrogen_Bond_Donor_Count	0
6672	Mono_Isotopic_Weight	151.063328530
10031812	Molecular_Weight	620.7
85988	Hydrogen_Bond_Acceptor_Count	5
16222096	TPSA	64.6
10474	Undefined_Atom_Stereo_Count	0
12284	Structure_Complexity	125
10498042	XLogP3-AA	6.2
93128	Defined_Atom_Stereo_Count	0
5280493	Undefined_Atom_Stereo_Count	0
213013	Covalent_Unit_Count	1
82406	Hydrogen_Bond_Donor_Count	0
9934492	Hydrogen_Bond_Donor_Count	7
74168	Structure_Complexity	67.4
65394	Isotope_Atom_Count	0
247573	Rotatable_Bond_Count	2
12209629	Defined_Bond_Stereo_Count	0
643833	Exact_Mass	95.9533555
156838775	TPSA	23.8
446355	Mono_Isotopic_Weight	209.06880783
11355455	Hydrogen_Bond_Donor_Count	0
71611	Undefined_Atom_Stereo_Count	0
13905	Rotatable_Bond_Count	5
18495	Defined_Bond_Stereo_Count	0
11643926	Covalent_Unit_Count	1
150901	Rotatable_Bond_Count	1
5351	XLogP3-AA	1.2
145712239	TPSA	304
44717198	Tautomer_Count	1
11170991	Undefined_Atom_Stereo_Count	0
57410	TPSA	61.8
259992	Isotope_Atom_Count	0
214038	Exact_Mass	496.2623340
10802	Isotope_Atom_Count	0
57704514	Structure_Complexity	384
5487496	Exact_Mass	509.28897135
15926139	Defined_Bond_Stereo_Count	0
53671850	Total_Formal_Charge	0
7824	Rotatable_Bond_Count	5
819440	Hydrogen_Bond_Acceptor_Count	3
91713	Defined_Atom_Stereo_Count	2
44392167	Hydrogen_Bond_Acceptor_Count	5
5149	Total_Formal_Charge	0
22523	Defined_Bond_Stereo_Count	0
45972	XLogP3-AA	4
10771356	TPSA	180
1163242	XLogP3-AA	4.5
118218024	Undefined_Bond_Stereo_Count	0
129629061	Hydrogen_Bond_Donor_Count	0
23642301	Total_Formal_Charge	0
60585	Covalent_Unit_Count	2
16133899	Exact_Mass	6093.0853594
77082	Mono_Isotopic_Weight	393.077760
71764	Molecular_Weight	425.9
63420	Hydrogen_Bond_Acceptor_Count	3
3097	Isotope_Atom_Count	0
139086367	Mono_Isotopic_Weight	392.09022504
20684386	Undefined_Bond_Stereo_Count	0
17820196	Defined_Atom_Stereo_Count	0
46936357	Hydrogen_Bond_Donor_Count	2
164005849	Exact_Mass	111.079647300
143034	Hydrogen_Bond_Donor_Count	0
24819	Rotatable_Bond_Count	0
22420437	Defined_Atom_Stereo_Count	0
173604	Tautomer_Count	1
57121306	Isotope_Atom_Count	0
167195	Defined_Bond_Stereo_Count	0
954673	Structure_Complexity	360
4264	Hydrogen_Bond_Donor_Count	4
71081	Structure_Complexity	60.5
140560	Tautomer_Count	1
8730	Tautomer_Count	2
141445129	Total_Formal_Charge	0
717663	Undefined_Bond_Stereo_Count	1
9469	Undefined_Bond_Stereo_Count	0
1095	Rotatable_Bond_Count	3
71007	Mono_Isotopic_Weight	199.136099547
66628308	Isotope_Atom_Count	0
59216333	Mono_Isotopic_Weight	111.043261792
135441757	Defined_Bond_Stereo_Count	0
58714	Molecular_Weight	197.23
11921	Defined_Atom_Stereo_Count	0
82467716	Undefined_Bond_Stereo_Count	0
12940701	Hydrogen_Bond_Acceptor_Count	5
92879	Exact_Mass	378.12494298
5277135	XLogP3-AA	5.3
85824359	Non-hydrogen_Atom_Count	8
444837	Undefined_Bond_Stereo_Count	0
16421	Defined_Bond_Stereo_Count	0
23663985	Isotope_Atom_Count	0
591313	Total_Formal_Charge	0
39485	Defined_Atom_Stereo_Count	0
65940	Molecular_Weight	341.4
9939627	Hydrogen_Bond_Acceptor_Count	11
11954041	Non-hydrogen_Atom_Count	24
6426740	Isotope_Atom_Count	0
143047391	Undefined_Atom_Stereo_Count	0
10313382	Undefined_Atom_Stereo_Count	0
440735	Undefined_Atom_Stereo_Count	0
10219402	Structure_Complexity	136
12336305	Rotatable_Bond_Count	0
2752647	TPSA	17.1
5715107	Mono_Isotopic_Weight	186.079312947
8489	Hydrogen_Bond_Acceptor_Count	2
101297691	Rotatable_Bond_Count	9
580481	Non-hydrogen_Atom_Count	15
153754883	Defined_Bond_Stereo_Count	0
32429	Undefined_Atom_Stereo_Count	0
751	TPSA	57.5
56036	Covalent_Unit_Count	1
138148	Defined_Atom_Stereo_Count	0
33353	Structure_Complexity	834
21321822	Total_Formal_Charge	0
55255285	Undefined_Bond_Stereo_Count	0
121207396	Undefined_Bond_Stereo_Count	0
19662	Mono_Isotopic_Weight	242.9756919
54169147	Defined_Atom_Stereo_Count	0
8292	Rotatable_Bond_Count	7
49937	Non-hydrogen_Atom_Count	10
64594	Structure_Complexity	562
19657	Exact_Mass	216.00100232
137512	Covalent_Unit_Count	1
588151	Tautomer_Count	2
129758641	Covalent_Unit_Count	2
9939892	XLogP3-AA	7.1
12244237	Mono_Isotopic_Weight	77.97755048
5282164	Hydrogen_Bond_Donor_Count	1
45711	Defined_Atom_Stereo_Count	0
56670167	Rotatable_Bond_Count	4
70690020	Non-hydrogen_Atom_Count	31
61828	Mono_Isotopic_Weight	239.93012
6427135	Non-hydrogen_Atom_Count	11
142210	Hydrogen_Bond_Acceptor_Count	3
173548	Defined_Bond_Stereo_Count	0
20936	Exact_Mass	204.10064299
23712865	Hydrogen_Bond_Donor_Count	0
3084250	Total_Formal_Charge	0
135705228	Isotope_Atom_Count	0
156419	Non-hydrogen_Atom_Count	26
12116	Exact_Mass	230.07653624
1219914	XLogP3-AA	3.5
87476740	Isotope_Atom_Count	0
13389	Undefined_Bond_Stereo_Count	0
1201386	Rotatable_Bond_Count	0
5175	TPSA	54.6
142798	Total_Formal_Charge	0
224844	Isotope_Atom_Count	0
4180	Non-hydrogen_Atom_Count	17
39503	TPSA	42
101625661	Non-hydrogen_Atom_Count	29
5311123	TPSA	138
123679079	Undefined_Atom_Stereo_Count	2
141096113	Undefined_Atom_Stereo_Count	2
11687	Non-hydrogen_Atom_Count	25
25209	Covalent_Unit_Count	1
11500273	Non-hydrogen_Atom_Count	20
100930731	Hydrogen_Bond_Donor_Count	0
75477	Exact_Mass	230.15180918
70689385	Covalent_Unit_Count	1
16219127	Hydrogen_Bond_Acceptor_Count	6
9955820	Defined_Atom_Stereo_Count	0
12561666	Hydrogen_Bond_Acceptor_Count	1
14924951	Isotope_Atom_Count	0
40320	Defined_Bond_Stereo_Count	0
54133029	Mono_Isotopic_Weight	113.047678466
458139	Hydrogen_Bond_Acceptor_Count	1
9812772	Exact_Mass	116.083729621
10285778	Rotatable_Bond_Count	2
10496	Exact_Mass	192.04225873
24771	Covalent_Unit_Count	1
49342	Non-hydrogen_Atom_Count	16
118451841	Non-hydrogen_Atom_Count	20
61028	Defined_Bond_Stereo_Count	0
7529	Undefined_Bond_Stereo_Count	0
23725051	Hydrogen_Bond_Acceptor_Count	2
9869776	Hydrogen_Bond_Acceptor_Count	10
28064676	Rotatable_Bond_Count	1
96583	Tautomer_Count	3
11326	Covalent_Unit_Count	1
734215	Hydrogen_Bond_Donor_Count	1
90125683	Hydrogen_Bond_Donor_Count	0
57399909	Non-hydrogen_Atom_Count	32
5460185	Defined_Bond_Stereo_Count	0
111509	Defined_Bond_Stereo_Count	0
15906	Undefined_Bond_Stereo_Count	0
39	XLogP3-AA	0.6
57370827	Tautomer_Count	1
9925873	TPSA	50.7
147895	Defined_Atom_Stereo_Count	11
54544621	Rotatable_Bond_Count	2
11217523	Defined_Atom_Stereo_Count	2
146159909	Isotope_Atom_Count	0
1549065	Structure_Complexity	426
15981397	Hydrogen_Bond_Acceptor_Count	5
86856	Tautomer_Count	1
7034	XLogP3	4.9
8157	Defined_Atom_Stereo_Count	0
11463807	XLogP3-AA	3.6
34052	Defined_Bond_Stereo_Count	0
8276	Defined_Atom_Stereo_Count	0
684	Covalent_Unit_Count	1
6918186	Structure_Complexity	522
25023856	Non-hydrogen_Atom_Count	34
9967055	Undefined_Atom_Stereo_Count	0
76134	Total_Formal_Charge	0
121494085	Undefined_Bond_Stereo_Count	0
26035	Rotatable_Bond_Count	4
40326	Rotatable_Bond_Count	7
118892880	Undefined_Atom_Stereo_Count	0
65662	XLogP3-AA	2.7
83644	Defined_Bond_Stereo_Count	0
9807600	Rotatable_Bond_Count	7
45282362	Hydrogen_Bond_Acceptor_Count	4
80168	Undefined_Atom_Stereo_Count	0
73278	Covalent_Unit_Count	1
139352	TPSA	54.4
22463	Exact_Mass	350.04352203
21187507	Undefined_Atom_Stereo_Count	0
185588	XLogP3	3.1
91326539	Undefined_Atom_Stereo_Count	0
121025	Non-hydrogen_Atom_Count	14
790	Covalent_Unit_Count	1
18683475	Hydrogen_Bond_Donor_Count	1
71270	Molecular_Weight	335.4
46936190	Non-hydrogen_Atom_Count	23
11601544	Defined_Atom_Stereo_Count	1
61196	Total_Formal_Charge	0
2462	Undefined_Atom_Stereo_Count	9
1479479	Hydrogen_Bond_Donor_Count	0
79998	Defined_Atom_Stereo_Count	0
123316507	Molecular_Weight	1202.6
129694674	Molecular_Weight	166.2
57704514	Defined_Bond_Stereo_Count	0
56659	Mono_Isotopic_Weight	245.08743528
6621	Structure_Complexity	306
115089	Defined_Bond_Stereo_Count	0
33068	Tautomer_Count	3
443866	Covalent_Unit_Count	2
360	Defined_Atom_Stereo_Count	0
103648	Undefined_Bond_Stereo_Count	0
104933	Hydrogen_Bond_Donor_Count	1
21501	Tautomer_Count	2
3082393	Rotatable_Bond_Count	10
79856	Mono_Isotopic_Weight	166.062994177
5353985	Hydrogen_Bond_Acceptor_Count	11
129800133	Defined_Bond_Stereo_Count	0
3063289	Undefined_Bond_Stereo_Count	0
101250074	TPSA	118
5158	Hydrogen_Bond_Acceptor_Count	26
55091	Structure_Complexity	123
52038	Defined_Bond_Stereo_Count	0
43032	Hydrogen_Bond_Acceptor_Count	3
39765	Tautomer_Count	1
69342090	Hydrogen_Bond_Acceptor_Count	2
44395101	Covalent_Unit_Count	1
3034285	Structure_Complexity	646
129674572	Hydrogen_Bond_Acceptor_Count	3
21168	Undefined_Atom_Stereo_Count	0
557495	Mono_Isotopic_Weight	100.052429494
12673	Covalent_Unit_Count	1
57306415	Isotope_Atom_Count	0
157903531	Mono_Isotopic_Weight	99.068413911
24868270	Undefined_Atom_Stereo_Count	0
66016	Exact_Mass	178.146998583
10883551	Exact_Mass	100.052429494
154474487	Undefined_Bond_Stereo_Count	0
838844	Molecular_Weight	239.07
54519	Structure_Complexity	317
74952	Defined_Atom_Stereo_Count	0
5211	Non-hydrogen_Atom_Count	26
10473	Defined_Bond_Stereo_Count	0
57560	Total_Formal_Charge	0
12816253	Molecular_Weight	117.15
2706	Exact_Mass	526.27913494
65920	Undefined_Bond_Stereo_Count	0
140659510	Rotatable_Bond_Count	1
15951485	Undefined_Atom_Stereo_Count	1
53763878	Hydrogen_Bond_Donor_Count	0
637584	Isotope_Atom_Count	0
442461	Isotope_Atom_Count	0
8249	Defined_Bond_Stereo_Count	0
4226	Hydrogen_Bond_Acceptor_Count	5
11285	Rotatable_Bond_Count	1
16667743	TPSA	128
53323740	Defined_Atom_Stereo_Count	0
26859	Exact_Mass	275.16337692
18915596	TPSA	26
342378	Covalent_Unit_Count	1
9048	Hydrogen_Bond_Donor_Count	3
56846451	Defined_Atom_Stereo_Count	0
163921573	Rotatable_Bond_Count	3
44445387	Hydrogen_Bond_Acceptor_Count	4
162883454	Total_Formal_Charge	0
4389	Rotatable_Bond_Count	4
80426	Isotope_Atom_Count	0
28620	TPSA	282
76168	Exact_Mass	318.0326684
46173802	Exact_Mass	562.09649219
2735122	Hydrogen_Bond_Donor_Count	0
148022	Structure_Complexity	119
546957	Mono_Isotopic_Weight	171.173547683
22965786	Rotatable_Bond_Count	0
24182914	Hydrogen_Bond_Donor_Count	0
104967	Rotatable_Bond_Count	0
441415	Undefined_Bond_Stereo_Count	0
66323	Molecular_Weight	199.59
36405	Hydrogen_Bond_Donor_Count	0
6427102	Total_Formal_Charge	0
95170	Structure_Complexity	227
9958995	XLogP3-AA	6.5
11263492	XLogP3-AA	2.2
20379467	Covalent_Unit_Count	1
7551	Isotope_Atom_Count	0
54071	Structure_Complexity	197
62398142	Molecular_Weight	110.16
72155	Total_Formal_Charge	0
28284151	Rotatable_Bond_Count	2
85782230	TPSA	26.3
40697	XLogP3-AA	4.5
12358742	Undefined_Atom_Stereo_Count	1
25654	Molecular_Weight	389.4
12171	Structure_Complexity	73.3
14379227	XLogP3-AA	0.5
147983909	Covalent_Unit_Count	1
28837	XLogP3	6.6
1317	Rotatable_Bond_Count	9
28343	Tautomer_Count	1
342403	Mono_Isotopic_Weight	137.047678466
16220015	Non-hydrogen_Atom_Count	26
129692694	Hydrogen_Bond_Donor_Count	0
10080510	Isotope_Atom_Count	0
153812233	Defined_Bond_Stereo_Count	0
41867	Rotatable_Bond_Count	5
31398	Rotatable_Bond_Count	0
19860177	Total_Formal_Charge	0
10444765	Undefined_Atom_Stereo_Count	0
107970	Mono_Isotopic_Weight	307.251129295
10276962	Undefined_Atom_Stereo_Count	0
21702770	XLogP3-AA	0.1
92374	Mono_Isotopic_Weight	236.04669266
591	Hydrogen_Bond_Acceptor_Count	22
23533634	Hydrogen_Bond_Donor_Count	1
70681028	TPSA	69.3
85694	Molecular_Weight	398.6
58247571	Undefined_Bond_Stereo_Count	0
136305612	Mono_Isotopic_Weight	110.059246208
565391	Hydrogen_Bond_Donor_Count	0
139044268	Molecular_Weight	324.4
52942503	Mono_Isotopic_Weight	385.0418534
65709	Rotatable_Bond_Count	8
226057	Undefined_Bond_Stereo_Count	0
25195294	Exact_Mass	406.19059473
45117185	Non-hydrogen_Atom_Count	15
16969	Exact_Mass	120.093900383
6432591	Molecular_Weight	38.05
3035406	Covalent_Unit_Count	1
79143	Hydrogen_Bond_Donor_Count	1
24848345	Defined_Atom_Stereo_Count	0
19814	Isotope_Atom_Count	0
12318317	Hydrogen_Bond_Donor_Count	0
13198436	Exact_Mass	102.031694049
9795291	Exact_Mass	265.09866828
43432	Covalent_Unit_Count	1
29093	Covalent_Unit_Count	1
66379	Isotope_Atom_Count	0
82982	Molecular_Weight	572.6
16274	Mono_Isotopic_Weight	353.0270760
92	Undefined_Atom_Stereo_Count	4
21679899	Isotope_Atom_Count	0
455041	Defined_Atom_Stereo_Count	2
38622	Undefined_Atom_Stereo_Count	1
37545	Structure_Complexity	31.2
136159800	Exact_Mass	110.02286070
6271	Defined_Bond_Stereo_Count	0
668081	TPSA	61.8
4357	Non-hydrogen_Atom_Count	17
65909	Covalent_Unit_Count	1
16722126	XLogP3-AA	2.1
141343693	Mono_Isotopic_Weight	113.084063974
9584	Mono_Isotopic_Weight	111.048427358
71840	Structure_Complexity	256
57930746	Molecular_Weight	109.13
5311466	Isotope_Atom_Count	0
92546	Exact_Mass	224.07970687
26106	Rotatable_Bond_Count	3
3000391	TPSA	196
54074602	XLogP3-AA	1.4
3680	Rotatable_Bond_Count	4
6989253	Structure_Complexity	93.1
6040503	Undefined_Atom_Stereo_Count	0
2734086	Molecular_Weight	446.7
15926139	Non-hydrogen_Atom_Count	11
9953769	Hydrogen_Bond_Donor_Count	1
85983	Hydrogen_Bond_Acceptor_Count	4
15608605	XLogP3-AA	3.9
528604	Isotope_Atom_Count	0
35654	Defined_Bond_Stereo_Count	0
13586013	Defined_Atom_Stereo_Count	0
107649	Total_Formal_Charge	2
184495	Tautomer_Count	3
13285535	Total_Formal_Charge	0
24530	Non-hydrogen_Atom_Count	3
242436	Exact_Mass	357.15762283
147707445	Covalent_Unit_Count	1
85576	Structure_Complexity	136
9855476	Undefined_Atom_Stereo_Count	0
533432	TPSA	20.2
6166	Mono_Isotopic_Weight	330.21949481
40895	Isotope_Atom_Count	0
56955180	TPSA	56.7
6917941	Hydrogen_Bond_Acceptor_Count	3
5360460	Covalent_Unit_Count	1
10034060	TPSA	515
5078	Undefined_Atom_Stereo_Count	0
411312	Undefined_Bond_Stereo_Count	0
639420	Defined_Bond_Stereo_Count	0
11138428	Structure_Complexity	151
11434448	Total_Formal_Charge	0
11017510	TPSA	36.9
21585139	Covalent_Unit_Count	2
45375946	TPSA	123
5282425	Rotatable_Bond_Count	3
69347707	Defined_Atom_Stereo_Count	0
18377249	Defined_Atom_Stereo_Count	0
10158453	Hydrogen_Bond_Donor_Count	1
156212	Covalent_Unit_Count	1
7767	Undefined_Atom_Stereo_Count	0
12598	Tautomer_Count	2
10558	Covalent_Unit_Count	1
21118222	Defined_Atom_Stereo_Count	1
24848235	Hydrogen_Bond_Donor_Count	1
8079	Non-hydrogen_Atom_Count	6
385	Undefined_Bond_Stereo_Count	0
12898	Undefined_Bond_Stereo_Count	0
121397587	Non-hydrogen_Atom_Count	33
66261	Hydrogen_Bond_Donor_Count	0
141010	Defined_Atom_Stereo_Count	0
21854522	Hydrogen_Bond_Acceptor_Count	18
70250504	Molecular_Weight	544.6
76592	Total_Formal_Charge	0
13586830	Undefined_Atom_Stereo_Count	0
6380	Covalent_Unit_Count	1
6850791	Isotope_Atom_Count	0
22715624	Mono_Isotopic_Weight	84.057514874
10780	Tautomer_Count	1
645886	Defined_Bond_Stereo_Count	0
129626607	Non-hydrogen_Atom_Count	14
215932	TPSA	87.8
14484	Undefined_Bond_Stereo_Count	0
959571	Undefined_Atom_Stereo_Count	0
52948146	Hydrogen_Bond_Donor_Count	1
2852	Defined_Bond_Stereo_Count	0
21720742	Structure_Complexity	98.7
3032361	Hydrogen_Bond_Acceptor_Count	2
129010061	Exact_Mass	560.27338086
80466	Covalent_Unit_Count	1
3031	Rotatable_Bond_Count	0
557495	Non-hydrogen_Atom_Count	7
75357	Rotatable_Bond_Count	0
782	Undefined_Atom_Stereo_Count	1
76589	TPSA	55.8
89000581	Molecular_Weight	180.16
26651	Hydrogen_Bond_Donor_Count	7
22002061	Molecular_Weight	116.16
14233	Non-hydrogen_Atom_Count	8
11768551	Covalent_Unit_Count	1
68583	Structure_Complexity	901
55288840	Structure_Complexity	161
47294	Defined_Atom_Stereo_Count	0
72002	Hydrogen_Bond_Donor_Count	2
165704207	Covalent_Unit_Count	1
133667882	Exact_Mass	110.073164938
2762887	Exact_Mass	113.027691913
7814	Exact_Mass	108.068748264
23667636	Isotope_Atom_Count	1
1396	Hydrogen_Bond_Acceptor_Count	7
270299	Total_Formal_Charge	0
11073379	Covalent_Unit_Count	1
284948	Defined_Bond_Stereo_Count	0
1443	Tautomer_Count	7
65484	Isotope_Atom_Count	0
70783	Undefined_Bond_Stereo_Count	0
16124688	Rotatable_Bond_Count	1
9090	Undefined_Atom_Stereo_Count	0
71116366	Non-hydrogen_Atom_Count	41
118010650	Undefined_Bond_Stereo_Count	0
445750	Isotope_Atom_Count	0
9835852	Covalent_Unit_Count	1
409474	Mono_Isotopic_Weight	283.157228913
124201874	TPSA	155
36978	Non-hydrogen_Atom_Count	21
87075443	Undefined_Bond_Stereo_Count	0
5364628	Isotope_Atom_Count	0
153664867	Total_Formal_Charge	0
10186986	Rotatable_Bond_Count	12
53775252	Non-hydrogen_Atom_Count	8
165337	Hydrogen_Bond_Donor_Count	0
15178986	Total_Formal_Charge	0
56008	Structure_Complexity	710
688267	Defined_Atom_Stereo_Count	2
44565798	Non-hydrogen_Atom_Count	23
54580844	Isotope_Atom_Count	0
130804	Defined_Bond_Stereo_Count	0
62616	Undefined_Atom_Stereo_Count	0
6453	Covalent_Unit_Count	1
53806072	Undefined_Bond_Stereo_Count	0
4618	Undefined_Atom_Stereo_Count	1
9418	Covalent_Unit_Count	2
112499971	Molecular_Weight	674.5
101289807	Defined_Bond_Stereo_Count	0
9800555	Defined_Bond_Stereo_Count	1
21552585	Undefined_Atom_Stereo_Count	0
79050	Total_Formal_Charge	0
11074101	Undefined_Atom_Stereo_Count	0
8168	Structure_Complexity	110
637776	TPSA	18.5
126710233	Exact_Mass	100.100048391
18223	Hydrogen_Bond_Donor_Count	0
5288365	Covalent_Unit_Count	1
15981323	Undefined_Atom_Stereo_Count	0
9075	Tautomer_Count	1
10796	Tautomer_Count	1
22762494	Structure_Complexity	40.8
40512	Undefined_Bond_Stereo_Count	0
136893	TPSA	18.5
2058	Non-hydrogen_Atom_Count	24
97252	Rotatable_Bond_Count	0
48670	TPSA	39.2
88983603	Non-hydrogen_Atom_Count	7
5289104	Non-hydrogen_Atom_Count	44
132035918	Undefined_Atom_Stereo_Count	0
636362	Exact_Mass	533.1452592
11128	Non-hydrogen_Atom_Count	17
140069478	Defined_Atom_Stereo_Count	0
25054	Defined_Bond_Stereo_Count	0
147097491	TPSA	9.2
21751982	Molecular_Weight	117.15
44430313	Total_Formal_Charge	0
11587584	Hydrogen_Bond_Donor_Count	1
60196402	Hydrogen_Bond_Donor_Count	2
83079	Non-hydrogen_Atom_Count	20
68201	Molecular_Weight	225.35
6973643	Hydrogen_Bond_Acceptor_Count	1
87367	Exact_Mass	293.16584950
139085145	Undefined_Bond_Stereo_Count	0
20639618	Undefined_Atom_Stereo_Count	0
25242	Mono_Isotopic_Weight	53.00770536
121232443	Undefined_Atom_Stereo_Count	0
59648875	Total_Formal_Charge	0
3001	Hydrogen_Bond_Donor_Count	0
18347297	Undefined_Atom_Stereo_Count	0
134692058	Exact_Mass	448.17333247
283654	Molecular_Weight	264.32
2101	Rotatable_Bond_Count	2
53936528	Covalent_Unit_Count	1
7182	Defined_Atom_Stereo_Count	0
135399833	Covalent_Unit_Count	4
56283	Hydrogen_Bond_Acceptor_Count	7
69332648	Hydrogen_Bond_Donor_Count	2
133568304	XLogP3-AA	6.4
68094	Hydrogen_Bond_Acceptor_Count	3
54373	Undefined_Atom_Stereo_Count	8
66992840	Non-hydrogen_Atom_Count	19
127441	Isotope_Atom_Count	0
172469	Hydrogen_Bond_Acceptor_Count	18
24838	Hydrogen_Bond_Donor_Count	0
449284	Mono_Isotopic_Weight	384.19501140
44224066	Molecular_Weight	700.8
139584100	Non-hydrogen_Atom_Count	92
498233	Undefined_Bond_Stereo_Count	0
10290773	Hydrogen_Bond_Acceptor_Count	3
24825264	Covalent_Unit_Count	1
18815	Non-hydrogen_Atom_Count	19
89121960	Total_Formal_Charge	0
57557625	XLogP3-AA	4
5283344	Isotope_Atom_Count	0
1452	Undefined_Bond_Stereo_Count	1
30461	Molecular_Weight	206.24
56663314	Mono_Isotopic_Weight	511.1290284
23673837	Hydrogen_Bond_Donor_Count	0
15715874	Hydrogen_Bond_Donor_Count	1
41211	Non-hydrogen_Atom_Count	23
67615000	Isotope_Atom_Count	0
14539800	Isotope_Atom_Count	0
26398	Undefined_Atom_Stereo_Count	0
78858	XLogP3	0.9
154101	Isotope_Atom_Count	0
139291730	Undefined_Atom_Stereo_Count	0
11593	Isotope_Atom_Count	0
4369502	Isotope_Atom_Count	0
19883347	Tautomer_Count	1
18805	Undefined_Bond_Stereo_Count	0
76548	Exact_Mass	164.131348519
3658056	Isotope_Atom_Count	0
58475	Mono_Isotopic_Weight	244.157563266
24477	Rotatable_Bond_Count	0
15825450	Molecular_Weight	98.14
56927690	Isotope_Atom_Count	0
95571	Hydrogen_Bond_Acceptor_Count	2
22608833	Non-hydrogen_Atom_Count	5
11697697	Total_Formal_Charge	0
3899	Undefined_Bond_Stereo_Count	0
13462200	Defined_Bond_Stereo_Count	0
46782942	Mono_Isotopic_Weight	513.7957108
102201652	Rotatable_Bond_Count	19
11648276	Mono_Isotopic_Weight	460.15109573
4117	XLogP3	2.6
162501	Rotatable_Bond_Count	4
12560918	Defined_Bond_Stereo_Count	0
19870792	Defined_Bond_Stereo_Count	0
89143818	Isotope_Atom_Count	0
88974141	Total_Formal_Charge	0
64432	Total_Formal_Charge	0
9817381	Isotope_Atom_Count	0
11052038	Non-hydrogen_Atom_Count	6
17882722	Hydrogen_Bond_Donor_Count	0
13101	Covalent_Unit_Count	1
76564	Hydrogen_Bond_Donor_Count	0
121861	Undefined_Atom_Stereo_Count	0
5284584	Exact_Mass	367.0934984
129738033	Defined_Bond_Stereo_Count	0
54584775	Hydrogen_Bond_Donor_Count	1
101180753	Covalent_Unit_Count	1
93032	Isotope_Atom_Count	0
65677	Covalent_Unit_Count	1
14116441	Undefined_Atom_Stereo_Count	0
3584	Rotatable_Bond_Count	11
9903930	Hydrogen_Bond_Acceptor_Count	4
10130120	Hydrogen_Bond_Donor_Count	2
44345559	Defined_Atom_Stereo_Count	9
64487	Total_Formal_Charge	0
68551	Hydrogen_Bond_Donor_Count	1
9812414	Rotatable_Bond_Count	10
170327	XLogP3-AA	7.7
164705778	Molecular_Weight	342.30
6919170	Mono_Isotopic_Weight	329.16875960
6436059	Defined_Bond_Stereo_Count	2
129829002	Structure_Complexity	212
135403805	TPSA	102
142552	Defined_Atom_Stereo_Count	0
87243	Undefined_Atom_Stereo_Count	0
11271	Structure_Complexity	72.4
159889	Rotatable_Bond_Count	4
12303047	Total_Formal_Charge	0
441404	Molecular_Weight	412.6
42609626	Exact_Mass	203.0713064
75806	Rotatable_Bond_Count	3
191468	Covalent_Unit_Count	1
74506	Isotope_Atom_Count	0
95162415	Undefined_Atom_Stereo_Count	0
79960033	Undefined_Atom_Stereo_Count	1
3047855	Structure_Complexity	1450
6541	Rotatable_Bond_Count	8
20849107	Mono_Isotopic_Weight	353.23279915
82261	Molecular_Weight	212.74
1096	Covalent_Unit_Count	2
12240	Undefined_Atom_Stereo_Count	0
7432	Undefined_Atom_Stereo_Count	0
165687912	Hydrogen_Bond_Donor_Count	0
6918286	Non-hydrogen_Atom_Count	26
84647663	Molecular_Weight	112.13
18475804	Hydrogen_Bond_Donor_Count	0
98365	Defined_Bond_Stereo_Count	0
53346602	Mono_Isotopic_Weight	116.047344113
2161	Non-hydrogen_Atom_Count	22
40240	Undefined_Atom_Stereo_Count	0
135415794	Undefined_Bond_Stereo_Count	0
71584271	Undefined_Atom_Stereo_Count	0
146265392	Rotatable_Bond_Count	1
36689718	Mono_Isotopic_Weight	117.078978594
551240	Covalent_Unit_Count	1
9941306	Hydrogen_Bond_Donor_Count	12
138471783	Rotatable_Bond_Count	3
736858	Non-hydrogen_Atom_Count	12
11504350	Exact_Mass	505.2132196
10877967	Rotatable_Bond_Count	2
5280954	Total_Formal_Charge	0
58265153	Covalent_Unit_Count	1
59401	Hydrogen_Bond_Acceptor_Count	4
162639102	Mono_Isotopic_Weight	411.00600498
133520	Rotatable_Bond_Count	1
70689350	Covalent_Unit_Count	2
53484567	Molecular_Weight	114.14
135565596	Covalent_Unit_Count	1
6323491	Molecular_Weight	364.8
87300	Hydrogen_Bond_Donor_Count	1
145151604	TPSA	56.2
39468	Mono_Isotopic_Weight	291.18344366
360901	Structure_Complexity	988
11013485	Tautomer_Count	1
519907	Covalent_Unit_Count	1
12711601	Covalent_Unit_Count	1
11136668	Non-hydrogen_Atom_Count	63
158729741	Mono_Isotopic_Weight	125.04523368
127909	Total_Formal_Charge	0
135942119	Undefined_Atom_Stereo_Count	0
67570	Defined_Bond_Stereo_Count	0
21133161	Hydrogen_Bond_Acceptor_Count	4
163872485	Structure_Complexity	2330
5365022	Exact_Mass	490.547752233
137938996	Exact_Mass	114.068079557
2723617	Defined_Atom_Stereo_Count	1
15004	Hydrogen_Bond_Acceptor_Count	5
19032309	Undefined_Atom_Stereo_Count	1
18338555	TPSA	61.7
58506875	Mono_Isotopic_Weight	285.209264485
2562	Tautomer_Count	1
24198694	Non-hydrogen_Atom_Count	28
81762	Covalent_Unit_Count	1
16211656	Undefined_Bond_Stereo_Count	0
66016	Total_Formal_Charge	0
3264	TPSA	52.6
1344	XLogP3	0.1
1044	Tautomer_Count	4
6673	Hydrogen_Bond_Donor_Count	0
117979204	Covalent_Unit_Count	1
60196407	Rotatable_Bond_Count	13
135889896	Defined_Bond_Stereo_Count	5
79798	Undefined_Atom_Stereo_Count	0
25072736	Non-hydrogen_Atom_Count	30
349713	Exact_Mass	114.068079557
5242433	Total_Formal_Charge	1
20312691	TPSA	53.3
214347	Molecular_Weight	329.4
101798	Defined_Atom_Stereo_Count	5
4056	Undefined_Atom_Stereo_Count	0
52361	Undefined_Atom_Stereo_Count	1
12040508	Structure_Complexity	457
721456	TPSA	67.4
5282182	Rotatable_Bond_Count	15
139585898	Total_Formal_Charge	0
449293	XLogP3-AA	0.8
6432469	Tautomer_Count	3
229075	Molecular_Weight	110.12
102248333	Structure_Complexity	1280
12870232	TPSA	20.2
15766	Non-hydrogen_Atom_Count	13
22260381	Hydrogen_Bond_Acceptor_Count	3
122403016	Hydrogen_Bond_Acceptor_Count	97
163563466	TPSA	3
2583694	Rotatable_Bond_Count	4
68983	Mono_Isotopic_Weight	76.044187285
23238195	Defined_Bond_Stereo_Count	0
54978	Non-hydrogen_Atom_Count	22
50905713	Undefined_Bond_Stereo_Count	0
10898649	Mono_Isotopic_Weight	97.063997236
88007	Undefined_Atom_Stereo_Count	0
15450	Non-hydrogen_Atom_Count	9
25132953	XLogP3-AA	2.3
92855	Defined_Atom_Stereo_Count	6
11069	Defined_Bond_Stereo_Count	0
21816393	Defined_Bond_Stereo_Count	0
10985889	Hydrogen_Bond_Acceptor_Count	0
61900360	Structure_Complexity	134
3015783	Molecular_Weight	558.83
43331	Defined_Bond_Stereo_Count	0
9863043	Undefined_Bond_Stereo_Count	0
449392	Rotatable_Bond_Count	4
15565266	Defined_Bond_Stereo_Count	0
1390	Defined_Atom_Stereo_Count	0
15185934	Isotope_Atom_Count	0
518760	Non-hydrogen_Atom_Count	7
124933	Defined_Atom_Stereo_Count	6
53262012	Undefined_Atom_Stereo_Count	1
71679	Isotope_Atom_Count	0
128815	Hydrogen_Bond_Acceptor_Count	8
1249	Undefined_Atom_Stereo_Count	2
11909	Hydrogen_Bond_Donor_Count	0
11750474	Defined_Bond_Stereo_Count	0
136920818	Hydrogen_Bond_Acceptor_Count	3
4278369	Defined_Atom_Stereo_Count	0
15130858	Undefined_Bond_Stereo_Count	0
65506	Mono_Isotopic_Weight	536.30172086
12246933	Rotatable_Bond_Count	2
129010364	Molecular_Weight	665.7
66327	Total_Formal_Charge	0
4141783	Undefined_Bond_Stereo_Count	0
21962760	Undefined_Atom_Stereo_Count	0
5656	Undefined_Bond_Stereo_Count	0
53655	Non-hydrogen_Atom_Count	63
53373584	Isotope_Atom_Count	0
143713444	Hydrogen_Bond_Acceptor_Count	1
44125988	XLogP3-AA	2.6
25021359	Structure_Complexity	233
54025583	Defined_Bond_Stereo_Count	0
44556162	Exact_Mass	676.30972162
10219414	Defined_Atom_Stereo_Count	0
16495	Hydrogen_Bond_Donor_Count	0
16738693	Defined_Atom_Stereo_Count	2
815404	Undefined_Atom_Stereo_Count	0
16218740	Defined_Atom_Stereo_Count	0
12508473	Isotope_Atom_Count	0
16008685	Covalent_Unit_Count	1
124143	Isotope_Atom_Count	0
101320272	Rotatable_Bond_Count	5
97886	Molecular_Weight	242.31
63245	Undefined_Bond_Stereo_Count	0
12254	Non-hydrogen_Atom_Count	6
10130524	Covalent_Unit_Count	1
10103118	Defined_Atom_Stereo_Count	0
14923	Tautomer_Count	1
6962	Non-hydrogen_Atom_Count	16
14027329	Undefined_Bond_Stereo_Count	0
5284551	Isotope_Atom_Count	0
21906940	Covalent_Unit_Count	1
157903531	Defined_Atom_Stereo_Count	0
60196431	Molecular_Weight	361.3
92781	Hydrogen_Bond_Acceptor_Count	6
96583	TPSA	73
71332025	Undefined_Bond_Stereo_Count	1
44183	Tautomer_Count	1
145307712	Mono_Isotopic_Weight	107.037113783
44258	Defined_Atom_Stereo_Count	0
140	Structure_Complexity	624
117899707	Rotatable_Bond_Count	1
49864533	Rotatable_Bond_Count	6
25127299	TPSA	67.9
14786268	Mono_Isotopic_Weight	114.068079557
7648	Defined_Atom_Stereo_Count	0
87595	Undefined_Bond_Stereo_Count	0
54375073	Hydrogen_Bond_Acceptor_Count	1
86446	TPSA	68.8
6917674	Mono_Isotopic_Weight	514.10931017
6436059	Covalent_Unit_Count	1
7130	Defined_Atom_Stereo_Count	0
14808025	Mono_Isotopic_Weight	101.047678466
5484735	Defined_Atom_Stereo_Count	2
5311104	Isotope_Atom_Count	0
24860971	Covalent_Unit_Count	1
9934033	Undefined_Bond_Stereo_Count	0
11496886	Non-hydrogen_Atom_Count	26
817096	XLogP3-AA	1.3
117126701	Defined_Bond_Stereo_Count	0
117188816	XLogP3-AA	0.3
70662752	Molecular_Weight	112.17
23976	Isotope_Atom_Count	0
93005	Tautomer_Count	2
24946105	TPSA	108
4435	Undefined_Atom_Stereo_Count	6
497698	Covalent_Unit_Count	1
439524	Rotatable_Bond_Count	3
8211	Molecular_Weight	241.46
71345	Non-hydrogen_Atom_Count	27
23657865	Hydrogen_Bond_Donor_Count	3
15448870	TPSA	0
89000581	Covalent_Unit_Count	1
11446301	XLogP3-AA	0
53859	Structure_Complexity	416
20226552	Rotatable_Bond_Count	0
344888	Hydrogen_Bond_Acceptor_Count	2
64488	Undefined_Bond_Stereo_Count	0
15643399	Undefined_Bond_Stereo_Count	0
545831	Undefined_Atom_Stereo_Count	1
657250	Non-hydrogen_Atom_Count	47
41280	Defined_Atom_Stereo_Count	0
45488112	Exact_Mass	456.14092497
11542775	Defined_Atom_Stereo_Count	0
53698003	Rotatable_Bond_Count	0
9246	Total_Formal_Charge	0
534838	Exact_Mass	94.053098200
117768413	TPSA	110
5264	Exact_Mass	465.34573470
6921821	Undefined_Bond_Stereo_Count	0
135458645	Defined_Bond_Stereo_Count	0
705672	Total_Formal_Charge	0
17845829	Mono_Isotopic_Weight	113.058911855
45255840	Hydrogen_Bond_Acceptor_Count	4
6406	Total_Formal_Charge	0
551387	Structure_Complexity	203
24860971	Structure_Complexity	410
129692694	Molecular_Weight	110.15
3049	Molecular_Weight	266.3
15232	Hydrogen_Bond_Donor_Count	6
13522	Defined_Bond_Stereo_Count	0
19111	Defined_Bond_Stereo_Count	0
71453749	Non-hydrogen_Atom_Count	30
64973730	Rotatable_Bond_Count	3
44392161	Mono_Isotopic_Weight	451.262362685
14295	TPSA	20.2
810	Structure_Complexity	1450
638678	Defined_Bond_Stereo_Count	0
68321730	Structure_Complexity	657
5711036	Exact_Mass	179.05171847
57401682	Undefined_Atom_Stereo_Count	0
67439664	Undefined_Atom_Stereo_Count	0
131705759	Exact_Mass	303.14705815
9247	Undefined_Bond_Stereo_Count	0
90707927	Molecular_Weight	108.18
8534	Hydrogen_Bond_Donor_Count	3
169573	Undefined_Atom_Stereo_Count	0
56841980	Molecular_Weight	744.7
115171944	Covalent_Unit_Count	1
9787	Structure_Complexity	1350
657085	TPSA	124
7115	Hydrogen_Bond_Acceptor_Count	0
21863	Undefined_Bond_Stereo_Count	0
72026	Defined_Atom_Stereo_Count	0
122345	Undefined_Atom_Stereo_Count	1
114994	Defined_Atom_Stereo_Count	0
9244	Exact_Mass	84.057514874
446257	Defined_Atom_Stereo_Count	0
5284583	Undefined_Bond_Stereo_Count	0
10832	Total_Formal_Charge	0
9500	Isotope_Atom_Count	0
5364711	XLogP3-AA	6.9
5045	Undefined_Atom_Stereo_Count	0
52346	TPSA	66.9
5324720	Tautomer_Count	3
55582	Defined_Atom_Stereo_Count	0
5354043	XLogP3	5.7
774	TPSA	54.7
77051	XLogP3-AA	1.4
58173	Tautomer_Count	13
15660	Non-hydrogen_Atom_Count	15
41743	Defined_Bond_Stereo_Count	0
6410621	Undefined_Atom_Stereo_Count	0
91461198	Covalent_Unit_Count	1
71584162	Undefined_Atom_Stereo_Count	0
159739	Covalent_Unit_Count	5
2203	Undefined_Atom_Stereo_Count	3
72201	Tautomer_Count	3
3052772	Structure_Complexity	412
45934626	Covalent_Unit_Count	1
37463	Structure_Complexity	84.4
119047	Covalent_Unit_Count	1
129627867	Defined_Atom_Stereo_Count	0
106824140	Molecular_Weight	115.13
71464039	Mono_Isotopic_Weight	98.048012819
135505	Undefined_Bond_Stereo_Count	0
57692074	Isotope_Atom_Count	0
44320150	Defined_Atom_Stereo_Count	6
772	Hydrogen_Bond_Donor_Count	15
79724	Hydrogen_Bond_Acceptor_Count	8
208898	XLogP3-AA	7.2
10478142	Non-hydrogen_Atom_Count	28
10044510	Hydrogen_Bond_Donor_Count	1
10006	Total_Formal_Charge	0
24526	Molecular_Weight	70.90
92515	Mono_Isotopic_Weight	208.109944368
154416437	Hydrogen_Bond_Acceptor_Count	1
118023034	Total_Formal_Charge	0
15030236	XLogP3-AA	2.6
134735	Hydrogen_Bond_Donor_Count	0
5328940	Non-hydrogen_Atom_Count	36
5469424	Non-hydrogen_Atom_Count	25
160866	Structure_Complexity	107
5363527	Total_Formal_Charge	0
11556910	Hydrogen_Bond_Acceptor_Count	11
89518751	Mono_Isotopic_Weight	342.11621151
19989310	Undefined_Atom_Stereo_Count	1
11029769	Hydrogen_Bond_Acceptor_Count	1
129816	Mono_Isotopic_Weight	387.14705815
11374717	Defined_Atom_Stereo_Count	1
44324941	Undefined_Atom_Stereo_Count	0
80296	Hydrogen_Bond_Acceptor_Count	10
146465392	Defined_Atom_Stereo_Count	0
162955682	Rotatable_Bond_Count	4
15001198	Undefined_Bond_Stereo_Count	0
12214987	TPSA	0
31493	Undefined_Bond_Stereo_Count	0
16130140	Isotope_Atom_Count	0
2723872	Hydrogen_Bond_Acceptor_Count	6
21698963	Covalent_Unit_Count	1
60966	Hydrogen_Bond_Acceptor_Count	1
134593	Structure_Complexity	131
30278	Undefined_Bond_Stereo_Count	0
5472	Hydrogen_Bond_Acceptor_Count	2
528143	Covalent_Unit_Count	1
297930	Non-hydrogen_Atom_Count	44
12749319	Isotope_Atom_Count	0
8077	Hydrogen_Bond_Acceptor_Count	2
65731	Structure_Complexity	405
129662986	Defined_Bond_Stereo_Count	0
11126230	TPSA	29.5
84954	Structure_Complexity	440
112	Hydrogen_Bond_Donor_Count	3
6918204	Molecular_Weight	1058.1
1720	Hydrogen_Bond_Acceptor_Count	3
14758064	Mono_Isotopic_Weight	131.048347172
11968014	Isotope_Atom_Count	0
12089	Covalent_Unit_Count	1
12059918	TPSA	0
13028028	Molecular_Weight	103.12
134687906	Hydrogen_Bond_Acceptor_Count	16
75496	Tautomer_Count	1
321710	TPSA	29.1
38769	TPSA	50.6
28397	Structure_Complexity	311
20255128	Undefined_Bond_Stereo_Count	0
21973740	Undefined_Atom_Stereo_Count	2
580057	Defined_Atom_Stereo_Count	0
1012	Defined_Atom_Stereo_Count	0
70689065	Hydrogen_Bond_Donor_Count	0
202225	Molecular_Weight	814.0
9865442	TPSA	83.8
129814671	Total_Formal_Charge	0
19802062	Defined_Bond_Stereo_Count	0
5463411	XLogP3-AA	3.6
18908	XLogP3-AA	3.4
3790	Covalent_Unit_Count	1
38200	Non-hydrogen_Atom_Count	21
123892631	Undefined_Atom_Stereo_Count	1
16606	Undefined_Bond_Stereo_Count	0
10498206	Covalent_Unit_Count	1
23736	Hydrogen_Bond_Acceptor_Count	2
81080	Rotatable_Bond_Count	11
15774	Exact_Mass	481.20108287
22385728	Total_Formal_Charge	0
15186998	Undefined_Bond_Stereo_Count	0
2797779	Defined_Bond_Stereo_Count	0
15567528	Hydrogen_Bond_Donor_Count	2
95400	Molecular_Weight	186.29
21702776	Non-hydrogen_Atom_Count	8
15256279	Non-hydrogen_Atom_Count	7
6713428	Rotatable_Bond_Count	1
52940942	Exact_Mass	417.13002593
91473751	Undefined_Bond_Stereo_Count	0
67805120	Covalent_Unit_Count	1
23128	TPSA	0
49865963	Defined_Bond_Stereo_Count	0
14806	Tautomer_Count	3
5288615	Non-hydrogen_Atom_Count	26
90622	Undefined_Atom_Stereo_Count	0
88344183	Defined_Bond_Stereo_Count	0
72392	Isotope_Atom_Count	0
62436	Hydrogen_Bond_Acceptor_Count	1
11450633	Covalent_Unit_Count	1
17948	Covalent_Unit_Count	2
90087	Molecular_Weight	225.5
520445	Molecular_Weight	118.13
11625778	Undefined_Atom_Stereo_Count	0
59184	Isotope_Atom_Count	0
6633	Molecular_Weight	253.36
20723390	Defined_Atom_Stereo_Count	0
59664	Molecular_Weight	354.14
61539	Hydrogen_Bond_Acceptor_Count	0
317852	Structure_Complexity	434
30292	Total_Formal_Charge	0
56680335	Undefined_Atom_Stereo_Count	0
15950520	XLogP3-AA	1.6
29685	Isotope_Atom_Count	0
129317	TPSA	77.8
1091	Structure_Complexity	26.3
104881	XLogP3-AA	4.9
71591488	Rotatable_Bond_Count	0
14434846	Undefined_Bond_Stereo_Count	0
77676	Total_Formal_Charge	0
44404642	Hydrogen_Bond_Acceptor_Count	5
7124	Mono_Isotopic_Weight	173.047678466
14057	Undefined_Atom_Stereo_Count	0
5284462	TPSA	44.8
9919942	Structure_Complexity	1900
6917795	Mono_Isotopic_Weight	406.27192431
122327	Hydrogen_Bond_Acceptor_Count	4
71452498	Undefined_Atom_Stereo_Count	0
7567	Defined_Bond_Stereo_Count	0
88290	Molecular_Weight	132.23
61541	Non-hydrogen_Atom_Count	3
124918412	XLogP3-AA	2.7
35023	Total_Formal_Charge	0
42623223	Structure_Complexity	543
137705128	Covalent_Unit_Count	1
23694213	Defined_Atom_Stereo_Count	3
57395974	Exact_Mass	442.33077660
3034828	Hydrogen_Bond_Donor_Count	9
55300514	Defined_Atom_Stereo_Count	0
11651149	Covalent_Unit_Count	1
7348	Isotope_Atom_Count	0
49864536	Rotatable_Bond_Count	6
53243273	Exact_Mass	115.063328530
44392087	Rotatable_Bond_Count	11
3696	Non-hydrogen_Atom_Count	21
1396	Mono_Isotopic_Weight	444.97074
44258737	Defined_Bond_Stereo_Count	0
89143843	Mono_Isotopic_Weight	110.084398327
616651	Hydrogen_Bond_Donor_Count	1
56955068	Defined_Bond_Stereo_Count	0
5389	Rotatable_Bond_Count	8
6435808	Rotatable_Bond_Count	2
141289	Molecular_Weight	94.15
42580057	Covalent_Unit_Count	1
227430	Non-hydrogen_Atom_Count	18
150929	Covalent_Unit_Count	1
72074	XLogP3-AA	0.4
5622	TPSA	72.9
6971	Non-hydrogen_Atom_Count	13
2963	Hydrogen_Bond_Acceptor_Count	3
447078	Exact_Mass	747.57780557
23317073	Non-hydrogen_Atom_Count	7
440577	TPSA	240
20299950	Total_Formal_Charge	0
89356917	Covalent_Unit_Count	1
72924	Hydrogen_Bond_Acceptor_Count	3
296732	Non-hydrogen_Atom_Count	17
83979	TPSA	206
23114997	XLogP3-AA	1.3
5678496	Total_Formal_Charge	0
61370	Exact_Mass	100.088815002
62398693	Non-hydrogen_Atom_Count	7
44455116	Non-hydrogen_Atom_Count	26
14417041	Exact_Mass	113.084063974
53472153	Defined_Atom_Stereo_Count	0
20226581	Non-hydrogen_Atom_Count	8
86488	Structure_Complexity	321
9844	Defined_Atom_Stereo_Count	0
523	Hydrogen_Bond_Acceptor_Count	4
143009217	Mono_Isotopic_Weight	111.068413911
21139953	Isotope_Atom_Count	0
94215	Hydrogen_Bond_Donor_Count	2
12132667	Molecular_Weight	96.13
90859735	Hydrogen_Bond_Donor_Count	0
17994152	Mono_Isotopic_Weight	62.036779430
11032	Undefined_Atom_Stereo_Count	0
18555	Defined_Bond_Stereo_Count	0
10785	Hydrogen_Bond_Donor_Count	1
131700865	Non-hydrogen_Atom_Count	37
57400694	Undefined_Atom_Stereo_Count	0
21954	Structure_Complexity	143
60790	Mono_Isotopic_Weight	384.16852187
4432690	TPSA	321
13619723	Hydrogen_Bond_Donor_Count	1
18759	Rotatable_Bond_Count	0
14523552	Molecular_Weight	378.4
9688	Structure_Complexity	317
8920	Mono_Isotopic_Weight	185.214349865
160944	Covalent_Unit_Count	2
10197643	Total_Formal_Charge	0
61235	Molecular_Weight	142.24
14535399	Exact_Mass	106.9899821
11126361	Defined_Atom_Stereo_Count	2
9930243	Defined_Bond_Stereo_Count	0
4535	Molecular_Weight	265.3
24180824	Hydrogen_Bond_Acceptor_Count	3
78224604	Defined_Atom_Stereo_Count	2
14985552	Undefined_Atom_Stereo_Count	0
139154214	Hydrogen_Bond_Acceptor_Count	7
126968495	Undefined_Bond_Stereo_Count	2
62930	Covalent_Unit_Count	1
6386647	Tautomer_Count	3
522841	Hydrogen_Bond_Donor_Count	0
23693092	Hydrogen_Bond_Acceptor_Count	6
129859783	Hydrogen_Bond_Donor_Count	1
1	Covalent_Unit_Count	1
2783176	Exact_Mass	115.02335542
77763	TPSA	20.2
135398645	Defined_Bond_Stereo_Count	0
95934	Total_Formal_Charge	0
5280450	Molecular_Weight	280.4
18521191	Tautomer_Count	1
23978	Tautomer_Count	9
44349142	Hydrogen_Bond_Donor_Count	2
46229348	Rotatable_Bond_Count	2
5379102	Total_Formal_Charge	0
101191397	TPSA	26.3
12213589	Defined_Atom_Stereo_Count	0
6509724	Defined_Bond_Stereo_Count	1
11954292	Mono_Isotopic_Weight	856.46898685
6444834	Non-hydrogen_Atom_Count	22
135349	Molecular_Weight	465.4
109195	Defined_Bond_Stereo_Count	0
206527	Molecular_Weight	407.5
54422686	Structure_Complexity	55.7
9723	Mono_Isotopic_Weight	278.17427596
5312115	Undefined_Atom_Stereo_Count	0
12149091	Non-hydrogen_Atom_Count	42
20190406	Non-hydrogen_Atom_Count	8
136515	Non-hydrogen_Atom_Count	8
40218	Total_Formal_Charge	0
5284391	Undefined_Bond_Stereo_Count	0
24838310	Hydrogen_Bond_Donor_Count	3
5311055	Undefined_Atom_Stereo_Count	0
183809	Mono_Isotopic_Weight	368.16371127
533866	Isotope_Atom_Count	0
550525	Exact_Mass	339.961063
15529	Defined_Bond_Stereo_Count	0
78382	Non-hydrogen_Atom_Count	12
57992030	Undefined_Atom_Stereo_Count	0
44629591	Exact_Mass	572.31581775
67643	Molecular_Weight	410.06
900	Undefined_Atom_Stereo_Count	5
20226563	Undefined_Atom_Stereo_Count	0
12747510	Covalent_Unit_Count	1
81760	Total_Formal_Charge	0
3033825	Non-hydrogen_Atom_Count	21
23270355	Covalent_Unit_Count	1
68392349	Defined_Bond_Stereo_Count	0
135409409	Hydrogen_Bond_Acceptor_Count	6
124220089	Exact_Mass	416.32904526
15904	Defined_Atom_Stereo_Count	0
636857	XLogP3-AA	3.1
3008895	Hydrogen_Bond_Acceptor_Count	20
106824140	Non-hydrogen_Atom_Count	8
25104740	Covalent_Unit_Count	1
640091	Rotatable_Bond_Count	1
77338	Undefined_Bond_Stereo_Count	0
270362	Hydrogen_Bond_Acceptor_Count	2
197344	Defined_Atom_Stereo_Count	0
9000	Defined_Atom_Stereo_Count	0
31307	XLogP3	1.2
11566	Mono_Isotopic_Weight	114.104465066
124769752	Hydrogen_Bond_Donor_Count	1
156616838	Exact_Mass	342.11621151
51921894	Non-hydrogen_Atom_Count	23
688323	Exact_Mass	238.204513457
443157	Total_Formal_Charge	0
160876	Undefined_Atom_Stereo_Count	0
77342	Rotatable_Bond_Count	0
70383887	Covalent_Unit_Count	1
759785	TPSA	114
6538981	Defined_Bond_Stereo_Count	0
66704605	Undefined_Bond_Stereo_Count	1
30323	Mono_Isotopic_Weight	527.17914612
406793	Hydrogen_Bond_Donor_Count	1
71453559	Undefined_Atom_Stereo_Count	0
14866914	Hydrogen_Bond_Acceptor_Count	3
135437285	Rotatable_Bond_Count	2
11637983	Total_Formal_Charge	0
545093	Hydrogen_Bond_Acceptor_Count	1
19016	Tautomer_Count	1
71645	Exact_Mass	242.094294304
13487685	Structure_Complexity	58.6
139920	Exact_Mass	116.120115130
59296073	Undefined_Atom_Stereo_Count	0
430996	XLogP3-AA	4.2
14826608	Mono_Isotopic_Weight	99.032028402
600269	Hydrogen_Bond_Acceptor_Count	2
85728	Exact_Mass	162.068079557
84715968	Non-hydrogen_Atom_Count	7
11339	Undefined_Bond_Stereo_Count	0
13635	Rotatable_Bond_Count	1
1550470	TPSA	26.3
409836	Rotatable_Bond_Count	4
7294	Mono_Isotopic_Weight	86.036779430
10466908	TPSA	62.2
12005	Non-hydrogen_Atom_Count	9
52427	Isotope_Atom_Count	0
3603	Defined_Bond_Stereo_Count	0
131968259	Rotatable_Bond_Count	3
71648	Undefined_Atom_Stereo_Count	0
9537	Isotope_Atom_Count	0
16222096	Structure_Complexity	624
44324020	Exact_Mass	284.16237386
11715	Molecular_Weight	136.98
21832123	TPSA	51.8
69990	Structure_Complexity	148
11957635	Molecular_Weight	246.73
4284720	Rotatable_Bond_Count	5
12590456	Hydrogen_Bond_Donor_Count	1
2752648	Rotatable_Bond_Count	1
6479	Isotope_Atom_Count	0
268473	Isotope_Atom_Count	0
3843	Isotope_Atom_Count	0
20648899	Non-hydrogen_Atom_Count	8
544613	Structure_Complexity	98.7
140143509	Non-hydrogen_Atom_Count	7
76539	Molecular_Weight	403.6
17074527	Hydrogen_Bond_Donor_Count	1
194670	Exact_Mass	193.110278721
17506	Undefined_Atom_Stereo_Count	0
23646072	Mono_Isotopic_Weight	515.22810243
104711138	Undefined_Atom_Stereo_Count	1
88402	Defined_Atom_Stereo_Count	0
90495	Defined_Bond_Stereo_Count	0
152119	Covalent_Unit_Count	1
10643636	Non-hydrogen_Atom_Count	27
9795291	Molecular_Weight	265.33
18218196	Hydrogen_Bond_Acceptor_Count	6
11127402	Non-hydrogen_Atom_Count	15
2786	Tautomer_Count	2
68880	Rotatable_Bond_Count	7
58752	Defined_Bond_Stereo_Count	0
9934032	Hydrogen_Bond_Acceptor_Count	7
16375	Covalent_Unit_Count	1
283992	Mono_Isotopic_Weight	118.062994177
12059	XLogP3	2.7
14235	Hydrogen_Bond_Donor_Count	0
154112533	Defined_Atom_Stereo_Count	0
60152109	TPSA	95.1
642	Structure_Complexity	1100
668390	XLogP3-AA	2
9743	Exact_Mass	112.032442941
44129647	Rotatable_Bond_Count	4
102019	Mono_Isotopic_Weight	161.0607417
1921	Hydrogen_Bond_Donor_Count	1
54698175	Exact_Mass	542.17049376
74470	Isotope_Atom_Count	0
72187569	Structure_Complexity	557
12175949	Non-hydrogen_Atom_Count	29
14103059	Molecular_Weight	897.2
134129703	Rotatable_Bond_Count	16
20448997	Undefined_Atom_Stereo_Count	2
833466	TPSA	83
69262871	Defined_Atom_Stereo_Count	0
57401368	Mono_Isotopic_Weight	432.21951207
11136	Exact_Mass	393.935436
16114800	Hydrogen_Bond_Donor_Count	4
11492406	Non-hydrogen_Atom_Count	16
66000	TPSA	126
11396	Exact_Mass	156.093900383
64722979	Isotope_Atom_Count	0
34312	Hydrogen_Bond_Acceptor_Count	2
6918840	Mono_Isotopic_Weight	966.43078848
4788452	Covalent_Unit_Count	1
85539715	Covalent_Unit_Count	1
3221	Undefined_Atom_Stereo_Count	0
12293	Molecular_Weight	158.24
6473973	Hydrogen_Bond_Acceptor_Count	14
443874	Defined_Atom_Stereo_Count	3
6850814	Tautomer_Count	1
2413	Exact_Mass	281.08743528
16132416	Total_Formal_Charge	0
148362624	XLogP3-AA	0.9
20473149	Defined_Atom_Stereo_Count	0
9284	Structure_Complexity	330
670359	Structure_Complexity	434
10478302	Defined_Atom_Stereo_Count	0
11604525	Hydrogen_Bond_Acceptor_Count	6
4740	Exact_Mass	278.13789045
9952884	Mono_Isotopic_Weight	401.11577528
730852	Isotope_Atom_Count	0
18363526	Molecular_Weight	114.14
12242919	Structure_Complexity	0
11974214	Non-hydrogen_Atom_Count	34
12471321	Exact_Mass	111.104799419
134695314	TPSA	172
53759539	Molecular_Weight	270.25
502272	Non-hydrogen_Atom_Count	24
9699	Exact_Mass	133.090292168
19176	Exact_Mass	205.019183
2733928	Covalent_Unit_Count	2
10704662	Covalent_Unit_Count	1
44629596	Hydrogen_Bond_Acceptor_Count	4
439709	Structure_Complexity	162
11073365	Isotope_Atom_Count	0
25154249	Defined_Bond_Stereo_Count	0
3955344	Hydrogen_Bond_Donor_Count	2
40473189	Defined_Bond_Stereo_Count	1
62441	Mono_Isotopic_Weight	349.28282334
11867	Total_Formal_Charge	0
44285029	Rotatable_Bond_Count	1
53316390	Defined_Atom_Stereo_Count	0
165340026	Undefined_Bond_Stereo_Count	0
72941442	Isotope_Atom_Count	0
98003	Hydrogen_Bond_Acceptor_Count	2
96910	Molecular_Weight	281.33
25015463	Hydrogen_Bond_Acceptor_Count	8
54345713	Mono_Isotopic_Weight	100.052429494
72187525	Hydrogen_Bond_Donor_Count	0
101888374	Exact_Mass	352.0502366
3373	Covalent_Unit_Count	1
50990560	TPSA	195
129681809	Covalent_Unit_Count	1
318	Exact_Mass	992.513202
123954185	TPSA	3
25227462	Structure_Complexity	747
122706529	Covalent_Unit_Count	1
42337	Tautomer_Count	2
23039770	Mono_Isotopic_Weight	95.037113783
46936772	Total_Formal_Charge	0
14298876	Molecular_Weight	86.14
3081	Undefined_Atom_Stereo_Count	0
50299	Tautomer_Count	2
14140758	Total_Formal_Charge	0
13664903	Undefined_Atom_Stereo_Count	1
558148	Non-hydrogen_Atom_Count	7
143565	Rotatable_Bond_Count	1
86461	Undefined_Atom_Stereo_Count	0
117217480	Isotope_Atom_Count	0
44719848	Hydrogen_Bond_Acceptor_Count	1
36486	Isotope_Atom_Count	0
9904	Total_Formal_Charge	0
71752170	Defined_Bond_Stereo_Count	0
44137674	Rotatable_Bond_Count	7
11545	Defined_Bond_Stereo_Count	0
6080476	Defined_Bond_Stereo_Count	4
68476	Tautomer_Count	3
21688635	Total_Formal_Charge	0
9806063	Covalent_Unit_Count	4
57398392	Undefined_Atom_Stereo_Count	0
54586718	Mono_Isotopic_Weight	313.17902698
159466	Hydrogen_Bond_Acceptor_Count	7
65014	Covalent_Unit_Count	9
7612	Structure_Complexity	58.1
9813985	Molecular_Weight	267.3
63656079	Rotatable_Bond_Count	2
129830713	Non-hydrogen_Atom_Count	15
13785328	Rotatable_Bond_Count	7
9812642	Non-hydrogen_Atom_Count	101
38972	Total_Formal_Charge	0
54761305	XLogP3-AA	2.6
70690637	Molecular_Weight	415.4
71681010	Undefined_Bond_Stereo_Count	0
10563	Isotope_Atom_Count	0
13130	Undefined_Bond_Stereo_Count	0
44719490	Non-hydrogen_Atom_Count	17
69371	Rotatable_Bond_Count	0
12231	Exact_Mass	61.016378338
54602348	Hydrogen_Bond_Acceptor_Count	2
35047	Defined_Atom_Stereo_Count	0
12200	Total_Formal_Charge	0
74236	Tautomer_Count	1
244809	Non-hydrogen_Atom_Count	22
147205698	Non-hydrogen_Atom_Count	7
71206	Defined_Bond_Stereo_Count	0
12556265	Exact_Mass	100.052429494
139061105	Total_Formal_Charge	0
10724	Exact_Mass	146.073164938
86614862	Molecular_Weight	358.2
44555481	Hydrogen_Bond_Donor_Count	0
58746	Undefined_Atom_Stereo_Count	1
7403	Structure_Complexity	183
441856	Tautomer_Count	1
3234	Undefined_Bond_Stereo_Count	1
10991489	Undefined_Bond_Stereo_Count	0
2724552	Defined_Bond_Stereo_Count	0
11983	TPSA	17.1
12309464	Hydrogen_Bond_Acceptor_Count	4
65546	Rotatable_Bond_Count	3
22833317	Molecular_Weight	192.25
57004	Molecular_Weight	218.63
5442	Hydrogen_Bond_Donor_Count	0
24956	Rotatable_Bond_Count	0
124946	Undefined_Atom_Stereo_Count	0
673534	Isotope_Atom_Count	0
25249	Hydrogen_Bond_Donor_Count	2
7118	Structure_Complexity	127
6419884	Covalent_Unit_Count	2
5287855	Hydrogen_Bond_Acceptor_Count	7
11466	Undefined_Bond_Stereo_Count	0
59398673	Covalent_Unit_Count	1
67901	Hydrogen_Bond_Donor_Count	2
702695	Undefined_Atom_Stereo_Count	0
89532783	XLogP3-AA	0.9
713	Rotatable_Bond_Count	0
64980	XLogP3-AA	6.2
14920524	Structure_Complexity	94.4
91301203	Defined_Bond_Stereo_Count	0
11620055	Defined_Atom_Stereo_Count	0
123698	TPSA	20.3
12498	Molecular_Weight	290.19
129662986	Isotope_Atom_Count	0
671690	Mono_Isotopic_Weight	313.0636342
59907918	Isotope_Atom_Count	0
2914	Exact_Mass	416.1754371
39709	Defined_Bond_Stereo_Count	0
40846579	Hydrogen_Bond_Donor_Count	2
135823198	Undefined_Atom_Stereo_Count	1
12302671	TPSA	190
10737	TPSA	20.3
165491	Exact_Mass	665.10096317
73943	XLogP3-AA	0.9
37467	Hydrogen_Bond_Acceptor_Count	2
10441661	Mono_Isotopic_Weight	108.068748264
14683451	Hydrogen_Bond_Acceptor_Count	2
21895383	Defined_Bond_Stereo_Count	0
18868	Undefined_Atom_Stereo_Count	0
76229	Hydrogen_Bond_Donor_Count	1
53316382	Undefined_Atom_Stereo_Count	0
418296	Total_Formal_Charge	0
12500939	Structure_Complexity	80.2
5830	Exact_Mass	178.05984080
41693	Undefined_Atom_Stereo_Count	0
19100566	Hydrogen_Bond_Donor_Count	2
6307	Exact_Mass	289.0287901
5283748	Structure_Complexity	688
594090	TPSA	28.7
7732	Total_Formal_Charge	0
11857488	Defined_Atom_Stereo_Count	2
54227233	Defined_Bond_Stereo_Count	0
66320	Isotope_Atom_Count	0
71478	Molecular_Weight	313.9
62946	Hydrogen_Bond_Donor_Count	2
1615208	Hydrogen_Bond_Acceptor_Count	1
9604654	Covalent_Unit_Count	1
8854	Undefined_Atom_Stereo_Count	0
23683747	TPSA	87.2
93186	Defined_Bond_Stereo_Count	0
85828788	Undefined_Atom_Stereo_Count	0
3086652	Undefined_Atom_Stereo_Count	0
94176	Hydrogen_Bond_Acceptor_Count	4
57394213	Isotope_Atom_Count	0
10931381	Defined_Bond_Stereo_Count	0
55748	Mono_Isotopic_Weight	280.07355886
9961	Mono_Isotopic_Weight	124.03358575
8969	Defined_Bond_Stereo_Count	0
49865963	Isotope_Atom_Count	0
15197399	TPSA	40.4
54111	Undefined_Bond_Stereo_Count	0
502	Total_Formal_Charge	0
11298500	Undefined_Atom_Stereo_Count	0
201618	Structure_Complexity	176
448925	Hydrogen_Bond_Donor_Count	8
57656715	XLogP3-AA	3.5
9855453	Isotope_Atom_Count	0
184820	Covalent_Unit_Count	1
140606019	Undefined_Atom_Stereo_Count	1
8936	Mono_Isotopic_Weight	810.42037944
23662389	Molecular_Weight	361.31
56857	Defined_Atom_Stereo_Count	0
23236224	Undefined_Bond_Stereo_Count	0
13452165	Isotope_Atom_Count	0
442866	Molecular_Weight	261.27
133268468	Mono_Isotopic_Weight	419.34787550
77405	Hydrogen_Bond_Donor_Count	2
154083	Non-hydrogen_Atom_Count	18
71470	Mono_Isotopic_Weight	518.26798174
139292146	Total_Formal_Charge	0
123271707	Covalent_Unit_Count	1
135722088	Total_Formal_Charge	0
146935695	XLogP3-AA	0.8
6262774	Total_Formal_Charge	0
3814	Isotope_Atom_Count	0
150723740	Isotope_Atom_Count	0
135979919	Non-hydrogen_Atom_Count	24
22081700	Hydrogen_Bond_Donor_Count	1
3870203	Covalent_Unit_Count	1
958	Undefined_Bond_Stereo_Count	7
14917	Undefined_Bond_Stereo_Count	0
6620134	Structure_Complexity	702
71733	Mono_Isotopic_Weight	261.172878976
452110	Undefined_Atom_Stereo_Count	0
440995	TPSA	190
24848382	Undefined_Atom_Stereo_Count	0
20239	Structure_Complexity	103
5282452	Hydrogen_Bond_Donor_Count	3
49831162	Total_Formal_Charge	0
82412	Exact_Mass	186.08920892
91688	Tautomer_Count	1
17695	Undefined_Bond_Stereo_Count	0
70128954	Hydrogen_Bond_Acceptor_Count	1
11967214	Defined_Atom_Stereo_Count	0
46485	Rotatable_Bond_Count	9
29647	Exact_Mass	515.99670823
22976356	Total_Formal_Charge	0
65356	Structure_Complexity	423
84614	Hydrogen_Bond_Acceptor_Count	4
7716	Structure_Complexity	133
107760	Isotope_Atom_Count	0
136796	Hydrogen_Bond_Acceptor_Count	0
5312115	Tautomer_Count	1
71584165	Total_Formal_Charge	0
23552407	Total_Formal_Charge	0
8628	Defined_Atom_Stereo_Count	0
8895	Total_Formal_Charge	0
2724951	TPSA	58.2
11403482	Non-hydrogen_Atom_Count	20
91663255	Isotope_Atom_Count	0
18719	Rotatable_Bond_Count	5
638552	Undefined_Atom_Stereo_Count	0
28332	Tautomer_Count	1
93192	Hydrogen_Bond_Donor_Count	2
22078297	Hydrogen_Bond_Donor_Count	0
694146	Rotatable_Bond_Count	1
54712148	Molecular_Weight	429.5
2723816	Tautomer_Count	1
21553255	Hydrogen_Bond_Acceptor_Count	1
11710	Structure_Complexity	71
71311162	Structure_Complexity	385
16732454	Isotope_Atom_Count	0
7304	TPSA	4.9
23714994	Defined_Atom_Stereo_Count	0
408714	Isotope_Atom_Count	0
5086	Covalent_Unit_Count	1
799	Covalent_Unit_Count	1
9106	Rotatable_Bond_Count	0
628181	Hydrogen_Bond_Donor_Count	1
197148	Undefined_Atom_Stereo_Count	0
793	Covalent_Unit_Count	1
70487	Isotope_Atom_Count	0
95433	Undefined_Bond_Stereo_Count	0
81150	Structure_Complexity	415
8507	Covalent_Unit_Count	2
21192822	Non-hydrogen_Atom_Count	29
70699	Rotatable_Bond_Count	0
9256	Isotope_Atom_Count	0
664419	Mono_Isotopic_Weight	340.1090889
852452	TPSA	59.8
21679645	Non-hydrogen_Atom_Count	8
81749	Hydrogen_Bond_Donor_Count	2
140996483	Structure_Complexity	99.9
25001850	Undefined_Atom_Stereo_Count	0
20090050	Hydrogen_Bond_Donor_Count	1
4901	TPSA	40.5
22263119	Rotatable_Bond_Count	1
57392503	Molecular_Weight	403.6
58468	Rotatable_Bond_Count	9
156588466	Molecular_Weight	709.3
13001072	Isotope_Atom_Count	0
39048	Isotope_Atom_Count	0
11217523	Hydrogen_Bond_Donor_Count	2
347402	Hydrogen_Bond_Donor_Count	1
97443	Undefined_Atom_Stereo_Count	0
447407	Mono_Isotopic_Weight	228.11100700
12407016	Non-hydrogen_Atom_Count	8
122214398	Isotope_Atom_Count	0
93279	Defined_Bond_Stereo_Count	0
53893636	Isotope_Atom_Count	0
88638	Hydrogen_Bond_Donor_Count	2
13710569	Total_Formal_Charge	0
14872976	Structure_Complexity	65.1
22269415	Mono_Isotopic_Weight	99.068413911
54587596	Total_Formal_Charge	0
129533	Defined_Atom_Stereo_Count	4
25023853	Covalent_Unit_Count	1
71887	Hydrogen_Bond_Acceptor_Count	6
123924	TPSA	36
29935	TPSA	23.8
73919	Hydrogen_Bond_Acceptor_Count	1
12056760	Molecular_Weight	418.28
984	Tautomer_Count	2
57156265	Hydrogen_Bond_Donor_Count	0
123804924	Non-hydrogen_Atom_Count	8
24771782	XLogP3-AA	4.7
3073763	TPSA	24.9
24958200	Undefined_Atom_Stereo_Count	0
3090	Mono_Isotopic_Weight	141.053826475
125	Mono_Isotopic_Weight	124.052429494
57286318	Structure_Complexity	141
8301	Covalent_Unit_Count	1
5383	Non-hydrogen_Atom_Count	15
7566944	Mono_Isotopic_Weight	342.11621151
3036703	Defined_Bond_Stereo_Count	0
7341	Molecular_Weight	116.16
155803776	Defined_Bond_Stereo_Count	0
77412	Isotope_Atom_Count	0
136231689	Defined_Bond_Stereo_Count	0
10857507	Exact_Mass	238.06886740
17841522	Undefined_Bond_Stereo_Count	0
68787	Total_Formal_Charge	0
536643	Covalent_Unit_Count	1
88559809	XLogP3-AA	1.4
24900942	Structure_Complexity	656
44336199	Covalent_Unit_Count	1
517121	Exact_Mass	218.9214405
62305	Exact_Mass	520.0471473
5356	Undefined_Atom_Stereo_Count	0
44407551	TPSA	151
53668108	Molecular_Weight	112.13
512138	Isotope_Atom_Count	0
84696	Mono_Isotopic_Weight	509.37250772
188987	Defined_Atom_Stereo_Count	0
58516110	Covalent_Unit_Count	1
9793848	Molecular_Weight	150.16
14066	Molecular_Weight	102.13
250074	XLogP3-AA	1.3
53385491	Defined_Bond_Stereo_Count	3
57403154	Structure_Complexity	416
10964417	Mono_Isotopic_Weight	95.073499291
5362123	Molecular_Weight	460.9
8077	Defined_Bond_Stereo_Count	0
60527	Total_Formal_Charge	0
78630	TPSA	25.8
42890	Structure_Complexity	912
19428628	Molecular_Weight	110.11
43013	Structure_Complexity	208
54335228	Defined_Atom_Stereo_Count	0
70484261	Undefined_Bond_Stereo_Count	0
53628842	Exact_Mass	169.0658271
46173707	Defined_Atom_Stereo_Count	15
12319472	Molecular_Weight	277.16
96327588	Molecular_Weight	527.5
70687998	Rotatable_Bond_Count	4
79267	Covalent_Unit_Count	1
3796	Covalent_Unit_Count	1
16049374	Exact_Mass	481.1260618
54511	Mono_Isotopic_Weight	356.1866705
41049	Defined_Atom_Stereo_Count	0
59296010	XLogP3-AA	3.3
91694	Undefined_Bond_Stereo_Count	0
15951487	Non-hydrogen_Atom_Count	28
688145	TPSA	29.1
110835	Covalent_Unit_Count	2
23672568	Exact_Mass	484.05995429
21354474	Hydrogen_Bond_Acceptor_Count	2
54187438	Structure_Complexity	74.2
2689	Rotatable_Bond_Count	1
67781	XLogP3	2
640	Non-hydrogen_Atom_Count	16
40510	Isotope_Atom_Count	0
45214	Undefined_Atom_Stereo_Count	0
3030	XLogP3	2.2
9953630	Hydrogen_Bond_Acceptor_Count	9
141545	XLogP3-AA	1.4
48080	Defined_Bond_Stereo_Count	0
23615703	Molecular_Weight	204.18
10127622	Covalent_Unit_Count	1
6917860	Hydrogen_Bond_Acceptor_Count	9
123388382	Molecular_Weight	98.15
550030	Non-hydrogen_Atom_Count	10
415868	Non-hydrogen_Atom_Count	25
56659844	Total_Formal_Charge	0
71463896	Structure_Complexity	1060
40470	XLogP3	6.7
35329	Non-hydrogen_Atom_Count	39
19860177	Rotatable_Bond_Count	3
17925	Structure_Complexity	413
13236258	Mono_Isotopic_Weight	99.068413911
534204	Non-hydrogen_Atom_Count	7
439524	Defined_Bond_Stereo_Count	0
76374506	Undefined_Bond_Stereo_Count	0
53302268	XLogP3-AA	0
139589863	Covalent_Unit_Count	1
80065	TPSA	78.9
17506	Non-hydrogen_Atom_Count	17
273577	XLogP3-AA	4.4
6418362	Molecular_Weight	287.32
123914282	Undefined_Bond_Stereo_Count	0
9340	Defined_Bond_Stereo_Count	0
135626366	Undefined_Atom_Stereo_Count	0
25111945	TPSA	65.7
11137	Molecular_Weight	139.11
10027816	Rotatable_Bond_Count	8
7232	Structure_Complexity	244
5354789	Exact_Mass	205.085126602
6918852	Hydrogen_Bond_Acceptor_Count	11
3393	Undefined_Atom_Stereo_Count	0
21750168	Rotatable_Bond_Count	1
21092	Rotatable_Bond_Count	4
10254700	Mono_Isotopic_Weight	483.04035
10525838	Structure_Complexity	617
13710589	Undefined_Bond_Stereo_Count	0
9973981	XLogP3-AA	3.6
125892	Non-hydrogen_Atom_Count	53
8986	Molecular_Weight	329.81
10415	XLogP3-AA	2.8
71306720	Covalent_Unit_Count	1
31281	Undefined_Bond_Stereo_Count	0
330740	Hydrogen_Bond_Donor_Count	4
31132	Total_Formal_Charge	0
71460733	Hydrogen_Bond_Acceptor_Count	6
12695798	Molecular_Weight	113.20
1795	Molecular_Weight	299.76
6025	Total_Formal_Charge	0
73921	Covalent_Unit_Count	1
688356	Total_Formal_Charge	0
6871216	Covalent_Unit_Count	1
208925	Total_Formal_Charge	0
2322334	XLogP3-AA	4
76172179	XLogP3-AA	3.1
12209629	Molecular_Weight	127.18
77084	Defined_Atom_Stereo_Count	0
61511	Total_Formal_Charge	0
197998	Exact_Mass	359.1652068
41264	Defined_Atom_Stereo_Count	0
132584645	Hydrogen_Bond_Donor_Count	0
91992733	Isotope_Atom_Count	0
43513	Undefined_Atom_Stereo_Count	0
5355732	Hydrogen_Bond_Donor_Count	0
95162412	Hydrogen_Bond_Donor_Count	8
44485	Tautomer_Count	34
123542468	Exact_Mass	108.093900383
169794	Molecular_Weight	630.9
3032600	Molecular_Weight	425.9
44560806	TPSA	150
25124826	Covalent_Unit_Count	1
135019886	Non-hydrogen_Atom_Count	23
12508224	XLogP3-AA	2
8892	TPSA	37.3
146013258	Structure_Complexity	77.7
146171122	Rotatable_Bond_Count	4
236566	Defined_Atom_Stereo_Count	0
24451	TPSA	130
124905	Total_Formal_Charge	0
13089918	Hydrogen_Bond_Donor_Count	0
154081962	Non-hydrogen_Atom_Count	7
90735699	Mono_Isotopic_Weight	111.068413911
21917771	Undefined_Atom_Stereo_Count	0
23077956	Undefined_Bond_Stereo_Count	0
53387026	Undefined_Bond_Stereo_Count	0
25835	Total_Formal_Charge	0
115368	Molecular_Weight	426.6
148127	Undefined_Atom_Stereo_Count	0
11136	Defined_Bond_Stereo_Count	0
7659	TPSA	26.3
51038316	Tautomer_Count	9
85864685	Undefined_Bond_Stereo_Count	0
49869040	XLogP3-AA	3.3
76223445	TPSA	26
38360	Structure_Complexity	130
18195	Undefined_Bond_Stereo_Count	0
80472	Undefined_Atom_Stereo_Count	0
29083	XLogP3-AA	0.2
433294	Covalent_Unit_Count	2
19217	Defined_Atom_Stereo_Count	0
9536	Rotatable_Bond_Count	8
3778	Total_Formal_Charge	0
4366	Molecular_Weight	188.23
52905	Covalent_Unit_Count	2
71541098	Molecular_Weight	256.17
5702096	Rotatable_Bond_Count	2
71438255	Undefined_Atom_Stereo_Count	0
5752	Structure_Complexity	214
7496	Non-hydrogen_Atom_Count	20
26136	Total_Formal_Charge	0
8606	TPSA	62.7
7369	Mono_Isotopic_Weight	175.9698783
59503411	Undefined_Bond_Stereo_Count	0
156186164	Mono_Isotopic_Weight	113.084063974
6433951	Molecular_Weight	370.4
151592	Covalent_Unit_Count	1
9958278	Mono_Isotopic_Weight	519.13517331
68591	Structure_Complexity	655
11111992	Isotope_Atom_Count	0
56675795	Isotope_Atom_Count	0
758641	Isotope_Atom_Count	0
3413668	Mono_Isotopic_Weight	270.161979940
9543187	Covalent_Unit_Count	1
81655	Total_Formal_Charge	0
158201	Rotatable_Bond_Count	2
43935	Hydrogen_Bond_Acceptor_Count	3
6693	XLogP3	2.3
96420	Defined_Bond_Stereo_Count	0
565600	Hydrogen_Bond_Acceptor_Count	2
163409779	Hydrogen_Bond_Acceptor_Count	4
53914733	Rotatable_Bond_Count	0
76415	Isotope_Atom_Count	0
13000487	Defined_Atom_Stereo_Count	0
300385	XLogP3-AA	3.2
71679410	Mono_Isotopic_Weight	419.34787550
24760653	Rotatable_Bond_Count	5
444913	Total_Formal_Charge	0
118797610	Rotatable_Bond_Count	1
3788074	Exact_Mass	434.02424314
79037	Isotope_Atom_Count	0
10464328	Total_Formal_Charge	0
6855	Non-hydrogen_Atom_Count	19
135411	Mono_Isotopic_Weight	398.18819469
36832	Total_Formal_Charge	0
10772947	Total_Formal_Charge	0
98648	TPSA	92.4
15415	Undefined_Atom_Stereo_Count	1
62098	Molecular_Weight	192.21
6537505	Hydrogen_Bond_Acceptor_Count	3
12998627	Undefined_Bond_Stereo_Count	0
71600	Structure_Complexity	79.1
72618469	Defined_Bond_Stereo_Count	0
68981	XLogP3-AA	0.9
13757192	Non-hydrogen_Atom_Count	8
134693959	Molecular_Weight	461.4
5489120	Undefined_Atom_Stereo_Count	0
11748	Hydrogen_Bond_Acceptor_Count	3
221493	Rotatable_Bond_Count	4
60196352	Undefined_Bond_Stereo_Count	0
98032	Molecular_Weight	238.28
6918606	Undefined_Bond_Stereo_Count	0
227430	Undefined_Bond_Stereo_Count	0
649153	Molecular_Weight	455.5
11271730	TPSA	6.2
20581047	Rotatable_Bond_Count	0
9574101	Structure_Complexity	731
72064	XLogP3-AA	3.5
12164	Covalent_Unit_Count	1
4397	Defined_Bond_Stereo_Count	0
5385314	Exact_Mass	170.05790880
67045	Mono_Isotopic_Weight	284.01030715
88267	Hydrogen_Bond_Acceptor_Count	1
50561	TPSA	99.9
5485193	Structure_Complexity	619
49909	TPSA	36.9
5328791	Isotope_Atom_Count	0
95850	Structure_Complexity	351
101239377	Hydrogen_Bond_Acceptor_Count	10
13798887	Defined_Atom_Stereo_Count	3
9502	Undefined_Bond_Stereo_Count	0
5173	Exact_Mass	204.11100700
53325875	Covalent_Unit_Count	1
70732	XLogP3-AA	1.3
24776149	Defined_Bond_Stereo_Count	0
47936	Tautomer_Count	2
10299410	Defined_Bond_Stereo_Count	0
11700696	Undefined_Bond_Stereo_Count	0
67822523	Covalent_Unit_Count	1
407175	Covalent_Unit_Count	1
71206	Isotope_Atom_Count	0
637758	XLogP3	3
413	Rotatable_Bond_Count	1
84878	Rotatable_Bond_Count	0
53484290	Total_Formal_Charge	0
759	Structure_Complexity	1720
12209630	Defined_Bond_Stereo_Count	0
14306122	Exact_Mass	370.30830982
7193	Molecular_Weight	192.25
24182786	Tautomer_Count	2
3081386	Defined_Atom_Stereo_Count	8
12088	Isotope_Atom_Count	0
139920	Defined_Atom_Stereo_Count	0
519543	TPSA	52.6
26859	Rotatable_Bond_Count	4
71322980	Undefined_Atom_Stereo_Count	0
15652148	Molecular_Weight	125.13
3980	Undefined_Atom_Stereo_Count	10
53299334	Structure_Complexity	520
47471	Hydrogen_Bond_Acceptor_Count	5
9824562	Mono_Isotopic_Weight	441.11476979
132285118	Molecular_Weight	866.1
54037464	Undefined_Atom_Stereo_Count	0
476260	Undefined_Bond_Stereo_Count	0
448601	Defined_Bond_Stereo_Count	0
5354	Undefined_Bond_Stereo_Count	0
133679779	Hydrogen_Bond_Acceptor_Count	1
69089	Covalent_Unit_Count	1
638278	Hydrogen_Bond_Donor_Count	3
289149	Undefined_Bond_Stereo_Count	0
12909725	Hydrogen_Bond_Donor_Count	0
71264	Hydrogen_Bond_Donor_Count	1
84598	Defined_Bond_Stereo_Count	0
57400229	Isotope_Atom_Count	0
5284	Rotatable_Bond_Count	3
444732	Defined_Bond_Stereo_Count	2
6075	Exact_Mass	310.15036988
11967617	Defined_Bond_Stereo_Count	0
53507	Undefined_Atom_Stereo_Count	0
6292	Exact_Mass	250.110613074
12242916	Hydrogen_Bond_Donor_Count	0
6855	Hydrogen_Bond_Acceptor_Count	3
6443013	Rotatable_Bond_Count	14
71308903	XLogP3	2.1
11008865	Defined_Atom_Stereo_Count	2
91301203	Isotope_Atom_Count	0
10032582	Non-hydrogen_Atom_Count	49
83899	Isotope_Atom_Count	0
6918639	Total_Formal_Charge	0
35525	Hydrogen_Bond_Donor_Count	0
6791	Rotatable_Bond_Count	1
2539	Mono_Isotopic_Weight	510.16383041
2337	Defined_Atom_Stereo_Count	0
11647899	Defined_Bond_Stereo_Count	0
448002	Hydrogen_Bond_Donor_Count	2
71829	Undefined_Atom_Stereo_Count	0
36354	TPSA	27.6
573592	Undefined_Bond_Stereo_Count	0
2723631	Rotatable_Bond_Count	0
13435928	Hydrogen_Bond_Acceptor_Count	2
18851	Total_Formal_Charge	0
83096	Defined_Atom_Stereo_Count	0
14120372	Undefined_Atom_Stereo_Count	0
17142	Hydrogen_Bond_Acceptor_Count	6
89986047	XLogP3-AA	1
4630253	Molecular_Weight	408.9
17769620	Isotope_Atom_Count	0
91420197	TPSA	58.3
25185	Total_Formal_Charge	0
23262897	Isotope_Atom_Count	0
962001	Defined_Bond_Stereo_Count	0
13212923	Mono_Isotopic_Weight	99.104799419
12223113	Defined_Bond_Stereo_Count	0
60976	Undefined_Bond_Stereo_Count	0
85988	Hydrogen_Bond_Donor_Count	0
12115801	Rotatable_Bond_Count	0
146027509	Hydrogen_Bond_Donor_Count	11
9828626	Defined_Atom_Stereo_Count	0
44119431	Covalent_Unit_Count	1
547	Hydrogen_Bond_Donor_Count	3
22882	Molecular_Weight	400.0
6436003	Exact_Mass	466.21555225
25195346	Hydrogen_Bond_Donor_Count	3
55255285	Undefined_Atom_Stereo_Count	1
117926	Tautomer_Count	1
3209	Isotope_Atom_Count	0
5702628	Hydrogen_Bond_Acceptor_Count	2
23199087	Covalent_Unit_Count	1
66577116	Undefined_Atom_Stereo_Count	1
1716	Total_Formal_Charge	0
6791	Undefined_Bond_Stereo_Count	0
6427135	Molecular_Weight	170.32
13040867	Defined_Atom_Stereo_Count	0
104163	Exact_Mass	230.21066147
69088	Hydrogen_Bond_Acceptor_Count	1
129010331	Covalent_Unit_Count	1
708857	Covalent_Unit_Count	1
79483	Hydrogen_Bond_Donor_Count	2
32817	Total_Formal_Charge	0
6451477	Non-hydrogen_Atom_Count	7
1714329	Rotatable_Bond_Count	0
25522	Defined_Atom_Stereo_Count	3
430914	Isotope_Atom_Count	0
35754	Isotope_Atom_Count	0
20339874	Undefined_Bond_Stereo_Count	0
44477	Tautomer_Count	1
99058	Hydrogen_Bond_Donor_Count	6
767951	Undefined_Bond_Stereo_Count	0
9956222	Exact_Mass	467.17058756
11867	Exact_Mass	173.99867984
54676825	Undefined_Atom_Stereo_Count	2
656668	Total_Formal_Charge	0
73773	Covalent_Unit_Count	1
5282551	Non-hydrogen_Atom_Count	32
3439	Undefined_Atom_Stereo_Count	1
7392	TPSA	17.1
13561	Non-hydrogen_Atom_Count	12
13925935	Isotope_Atom_Count	0
14449398	Exact_Mass	116.01860440
76957235	Structure_Complexity	593
16005262	Mono_Isotopic_Weight	98.084398327
13068890	Non-hydrogen_Atom_Count	8
54751657	Undefined_Atom_Stereo_Count	0
44455234	Mono_Isotopic_Weight	366.10743665
11732	Rotatable_Bond_Count	1
10039361	Undefined_Atom_Stereo_Count	0
12187	Hydrogen_Bond_Acceptor_Count	1
20439251	Rotatable_Bond_Count	3
139246476	Mono_Isotopic_Weight	186.013186
16120191	TPSA	72.2
23662389	Undefined_Atom_Stereo_Count	0
89990643	TPSA	47.3
11115995	Defined_Atom_Stereo_Count	0
23736	Defined_Bond_Stereo_Count	0
10148984	Undefined_Bond_Stereo_Count	0
152	Non-hydrogen_Atom_Count	18
542372	XLogP3-AA	2.3
123673485	Molecular_Weight	109.17
57403867	Undefined_Bond_Stereo_Count	0
54307121	Defined_Atom_Stereo_Count	0
71406	Non-hydrogen_Atom_Count	41
82650923	Hydrogen_Bond_Donor_Count	0
949	Defined_Atom_Stereo_Count	0
44563068	Isotope_Atom_Count	0
13316162	Exact_Mass	116.120115130
54195578	XLogP3-AA	2.7
606	Exact_Mass	238.03547307
2308	XLogP3	2.2
22082546	Rotatable_Bond_Count	2
67568	XLogP3-AA	3
14365987	Hydrogen_Bond_Donor_Count	0
4577573	Defined_Atom_Stereo_Count	0
328257	Rotatable_Bond_Count	0
201538	Mono_Isotopic_Weight	463.2489364
14974	TPSA	228
68167579	Defined_Atom_Stereo_Count	4
12514401	Covalent_Unit_Count	1
54681623	Non-hydrogen_Atom_Count	23
11257	Rotatable_Bond_Count	3
7512	Total_Formal_Charge	0
168299	Covalent_Unit_Count	3
8158	Isotope_Atom_Count	0
162291	Molecular_Weight	623.0
12171	Molecular_Weight	175.05
3058221	TPSA	108
65238029	Defined_Bond_Stereo_Count	0
24755478	TPSA	166
118578546	Total_Formal_Charge	0
17455	Structure_Complexity	791
3328	Defined_Atom_Stereo_Count	0
1361	Hydrogen_Bond_Acceptor_Count	8
222548	Covalent_Unit_Count	1
22408685	Hydrogen_Bond_Acceptor_Count	2
53848219	Molecular_Weight	100.08
56840998	Exact_Mass	418.013115
64950	Tautomer_Count	2
10707	TPSA	91.6
154000	XLogP3-AA	4
6435812	TPSA	24.8
31200	Total_Formal_Charge	0
123631	Rotatable_Bond_Count	8
2471	Hydrogen_Bond_Donor_Count	3
71469	Undefined_Bond_Stereo_Count	0
3032472	Isotope_Atom_Count	0
12201322	Hydrogen_Bond_Donor_Count	3
70692775	Total_Formal_Charge	0
6433547	Covalent_Unit_Count	1
61032	Undefined_Atom_Stereo_Count	0
2863945	Rotatable_Bond_Count	3
67322	Hydrogen_Bond_Acceptor_Count	6
439846	Exact_Mass	76.052429494
548521	Isotope_Atom_Count	0
520907	Isotope_Atom_Count	0
7474	Exact_Mass	156.9930561
13519	Covalent_Unit_Count	1
864969	Rotatable_Bond_Count	1
76973769	XLogP3-AA	2.5
1714	Non-hydrogen_Atom_Count	23
8026	Tautomer_Count	1
33791	Tautomer_Count	1
51346588	Structure_Complexity	423
479	Non-hydrogen_Atom_Count	18
54929	Undefined_Bond_Stereo_Count	0
151093	Undefined_Atom_Stereo_Count	0
17745	Total_Formal_Charge	0
85538	Isotope_Atom_Count	0
45026	Hydrogen_Bond_Donor_Count	3
290807	Hydrogen_Bond_Acceptor_Count	1
23708	Structure_Complexity	1770
10034991	Exact_Mass	168.078644241
16217852	XLogP3-AA	0.4
44426760	Defined_Bond_Stereo_Count	0
156618042	TPSA	190
57183917	Exact_Mass	111.032028402
129671761	Undefined_Atom_Stereo_Count	2
65084	Structure_Complexity	380
13229	Structure_Complexity	116
21786118	Covalent_Unit_Count	1
91087911	Isotope_Atom_Count	0
31370	Isotope_Atom_Count	0
120737	Hydrogen_Bond_Donor_Count	1
163883593	Mono_Isotopic_Weight	111.079647300
6828	Exact_Mass	268.157563266
282518	Molecular_Weight	311.29
3036703	Isotope_Atom_Count	0
80434	Undefined_Atom_Stereo_Count	0
91053206	Mono_Isotopic_Weight	1201.84136802
853863	Defined_Atom_Stereo_Count	0
964	Hydrogen_Bond_Donor_Count	2
5524	Molecular_Weight	215.29
23663979	Molecular_Weight	371.4
20849290	Structure_Complexity	154
140248	Hydrogen_Bond_Acceptor_Count	5
94297	Defined_Bond_Stereo_Count	0
445904	Hydrogen_Bond_Acceptor_Count	5
20504	Structure_Complexity	198
25185057	Covalent_Unit_Count	1
24848419	Isotope_Atom_Count	0
5411	Hydrogen_Bond_Donor_Count	1
9901	Mono_Isotopic_Weight	312.208930132
79224	Hydrogen_Bond_Donor_Count	0
66545759	XLogP3-AA	1.3
7280190	Defined_Atom_Stereo_Count	0
11249084	Hydrogen_Bond_Acceptor_Count	5
2761399	Undefined_Atom_Stereo_Count	0
15910	Undefined_Bond_Stereo_Count	0
306131	Covalent_Unit_Count	1
5611	Undefined_Atom_Stereo_Count	1
48558	Isotope_Atom_Count	0
142765305	Undefined_Atom_Stereo_Count	0
89440	Undefined_Bond_Stereo_Count	0
12046	Covalent_Unit_Count	1
22277879	Mono_Isotopic_Weight	116.083729621
71464652	Hydrogen_Bond_Donor_Count	2
133621	Isotope_Atom_Count	0
23393	Tautomer_Count	1
973938	Defined_Bond_Stereo_Count	0
95182	Non-hydrogen_Atom_Count	33
38350	Molecular_Weight	321.4
28523	Hydrogen_Bond_Acceptor_Count	22
9952446	Covalent_Unit_Count	1
10534621	Defined_Atom_Stereo_Count	0
19398	Non-hydrogen_Atom_Count	19
5273759	Undefined_Atom_Stereo_Count	0
23978	Mono_Isotopic_Weight	62.929597
14475	Isotope_Atom_Count	0
13404	Covalent_Unit_Count	1
22015260	Defined_Atom_Stereo_Count	0
40933	TPSA	42.2
61664	Non-hydrogen_Atom_Count	7
76964582	Undefined_Bond_Stereo_Count	0
60154328	Defined_Atom_Stereo_Count	0
136585	Hydrogen_Bond_Acceptor_Count	0
54676715	Non-hydrogen_Atom_Count	18
123304022	Molecular_Weight	102.13
6433266	Total_Formal_Charge	0
74802	Undefined_Bond_Stereo_Count	0
156592059	Exact_Mass	895.04440356
71377	Isotope_Atom_Count	0
637932	Undefined_Atom_Stereo_Count	0
367656	Hydrogen_Bond_Donor_Count	0
10217	Exact_Mass	337.13140809
221387	Tautomer_Count	2
21661235	Isotope_Atom_Count	0
20474	Defined_Bond_Stereo_Count	0
7571	Isotope_Atom_Count	0
89512131	Isotope_Atom_Count	0
118705487	Structure_Complexity	160
49838879	Undefined_Bond_Stereo_Count	0
225568	TPSA	43.1
26975	Rotatable_Bond_Count	4
13050	Defined_Atom_Stereo_Count	0
5289501	Defined_Atom_Stereo_Count	0
138851	Mono_Isotopic_Weight	114.042927438
115236	Molecular_Weight	315.39
138107735	Molecular_Weight	527.5
94740	XLogP3-AA	2.2
123751374	Molecular_Weight	1202.6
7937	Exact_Mass	107.073499291
314282	Hydrogen_Bond_Donor_Count	1
26009888	Rotatable_Bond_Count	0
441364	Total_Formal_Charge	0
52941462	Defined_Atom_Stereo_Count	2
95361	TPSA	55.8
69930345	Total_Formal_Charge	0
5252481	Exact_Mass	103.063328530
140945	Hydrogen_Bond_Donor_Count	0
556	Covalent_Unit_Count	1
37037	Undefined_Atom_Stereo_Count	0
5967	Non-hydrogen_Atom_Count	42
18867	Exact_Mass	224.094963011
124201874	Undefined_Bond_Stereo_Count	0
23274077	Defined_Atom_Stereo_Count	0
30529	Molecular_Weight	227.5
59966628	Exact_Mass	416.32904526
4748	XLogP3	4.2
13466096	Total_Formal_Charge	0
28871	XLogP3	5.2
91749	Defined_Atom_Stereo_Count	0
34457	Molecular_Weight	646.6
13223	Covalent_Unit_Count	1
11040651	Defined_Atom_Stereo_Count	0
628202	Structure_Complexity	688
20387201	Defined_Bond_Stereo_Count	0
5360621	Tautomer_Count	2
223578	Defined_Atom_Stereo_Count	0
5984	Rotatable_Bond_Count	5
7530	Undefined_Bond_Stereo_Count	0
57023262	Defined_Bond_Stereo_Count	0
652019	Isotope_Atom_Count	0
453326	Defined_Atom_Stereo_Count	0
4947	Undefined_Atom_Stereo_Count	0
3086637	Hydrogen_Bond_Acceptor_Count	10
21822	Total_Formal_Charge	0
13853	Defined_Bond_Stereo_Count	0
68079	Undefined_Bond_Stereo_Count	0
45488113	TPSA	58.7
5284535	Mono_Isotopic_Weight	392.1390516
55290897	Undefined_Atom_Stereo_Count	0
16132429	Defined_Atom_Stereo_Count	0
11815	Isotope_Atom_Count	0
44719547	Defined_Bond_Stereo_Count	0
6356	Total_Formal_Charge	0
90355769	Undefined_Bond_Stereo_Count	0
3647	Defined_Bond_Stereo_Count	0
49028	Structure_Complexity	294
71343994	Defined_Atom_Stereo_Count	0
12309518	Undefined_Bond_Stereo_Count	0
62530	Mono_Isotopic_Weight	206.167065321
246	TPSA	89
68791	Covalent_Unit_Count	1
720471	Total_Formal_Charge	0
80881	Defined_Atom_Stereo_Count	0
12270637	Hydrogen_Bond_Acceptor_Count	2
49865494	Defined_Atom_Stereo_Count	0
13848132	Undefined_Atom_Stereo_Count	1
6369388	Non-hydrogen_Atom_Count	20
22341299	Hydrogen_Bond_Donor_Count	2
9810601	Tautomer_Count	2
5340	TPSA	122
65991760	Hydrogen_Bond_Donor_Count	1
9297	Undefined_Bond_Stereo_Count	0
928367	XLogP3-AA	1.4
74041115	Covalent_Unit_Count	1
9627	Rotatable_Bond_Count	0
6442439	Covalent_Unit_Count	1
1062	XLogP3-AA	5.3
71306415	Covalent_Unit_Count	2
21282995	Exact_Mass	96.068748264
2422	Covalent_Unit_Count	1
51051642	Hydrogen_Bond_Acceptor_Count	17
46899922	Rotatable_Bond_Count	5
529031	Rotatable_Bond_Count	1
102069	Exact_Mass	422.272199093
1238	Mono_Isotopic_Weight	344.1113975
60651	Covalent_Unit_Count	1
1821	Covalent_Unit_Count	1
65789	Hydrogen_Bond_Acceptor_Count	7
19910037	Structure_Complexity	81.8
124918602	Isotope_Atom_Count	0
160550	Hydrogen_Bond_Donor_Count	1
57744	Rotatable_Bond_Count	12
86322	Molecular_Weight	167.20
55710	Isotope_Atom_Count	0
281135	Isotope_Atom_Count	0
4329	Isotope_Atom_Count	0
90488771	Structure_Complexity	755
68019	Structure_Complexity	144
70008	Rotatable_Bond_Count	0
14146878	Isotope_Atom_Count	0
22833502	Hydrogen_Bond_Acceptor_Count	2
12383778	Defined_Atom_Stereo_Count	0
85294873	Defined_Bond_Stereo_Count	0
562676	XLogP3-AA	2.6
19784171	TPSA	29.1
16659676	Exact_Mass	449.1490768
15684	Molecular_Weight	177.02
86010	Mono_Isotopic_Weight	212.0369090
449462	Mono_Isotopic_Weight	179.07937252
23675737	Undefined_Bond_Stereo_Count	0
697993	TPSA	69.4
20483	Exact_Mass	185.98429308
16129911	Structure_Complexity	2700
5311201	Structure_Complexity	658
57387	Tautomer_Count	1
69826668	Undefined_Atom_Stereo_Count	0
5496539	Covalent_Unit_Count	1
5282219	Hydrogen_Bond_Acceptor_Count	6
12313170	Hydrogen_Bond_Acceptor_Count	10
7791	Hydrogen_Bond_Donor_Count	1
5047019	Defined_Atom_Stereo_Count	0
46910264	Defined_Bond_Stereo_Count	0
25138298	Hydrogen_Bond_Donor_Count	18
6642	Rotatable_Bond_Count	5
56842208	Hydrogen_Bond_Acceptor_Count	4
12302694	Defined_Bond_Stereo_Count	0
135564558	Isotope_Atom_Count	0
5881	Hydrogen_Bond_Donor_Count	1
23283113	Covalent_Unit_Count	1
35801	TPSA	0
70684821	TPSA	100
3385	Total_Formal_Charge	0
13246222	Tautomer_Count	1
19930616	Isotope_Atom_Count	0
67435898	Defined_Atom_Stereo_Count	0
347590	Hydrogen_Bond_Donor_Count	1
65728	XLogP3-AA	8.3
411817	Exact_Mass	282.1498911
21339024	Defined_Atom_Stereo_Count	0
11796	Defined_Bond_Stereo_Count	0
10975431	Rotatable_Bond_Count	1
12491241	Defined_Atom_Stereo_Count	0
123792	Mono_Isotopic_Weight	680.35336251
10871	Hydrogen_Bond_Donor_Count	1
128423	Hydrogen_Bond_Donor_Count	0
5288759	Covalent_Unit_Count	1
81638	Hydrogen_Bond_Acceptor_Count	3
72604488	Structure_Complexity	88.2
5954	Hydrogen_Bond_Acceptor_Count	0
86764	Hydrogen_Bond_Acceptor_Count	4
567118	TPSA	64.9
10219398	Mono_Isotopic_Weight	111.032028402
303	Molecular_Weight	408.6
46964	Non-hydrogen_Atom_Count	16
441411	Total_Formal_Charge	0
825522	TPSA	52.6
82052	Undefined_Bond_Stereo_Count	0
53387504	Isotope_Atom_Count	0
74267	Mono_Isotopic_Weight	398.13532476
79014	Defined_Bond_Stereo_Count	0
13795006	Non-hydrogen_Atom_Count	8
124201453	Undefined_Atom_Stereo_Count	2
7335	Covalent_Unit_Count	1
2092	Hydrogen_Bond_Acceptor_Count	8
6950337	Defined_Bond_Stereo_Count	0
824336	Exact_Mass	348.0335411
80873	Hydrogen_Bond_Donor_Count	4
13413379	XLogP3-AA	0.3
969	Exact_Mass	773.17929631
26139	Undefined_Bond_Stereo_Count	0
12263	Exact_Mass	101.047678466
66760	Exact_Mass	153.0093748
71374162	Undefined_Bond_Stereo_Count	1
3707	Undefined_Bond_Stereo_Count	0
10942665	TPSA	43.4
30951	Undefined_Bond_Stereo_Count	0
642240	Defined_Bond_Stereo_Count	1
6538999	Mono_Isotopic_Weight	485.1385304
12671783	Structure_Complexity	126
82789	Undefined_Bond_Stereo_Count	0
105125	Defined_Atom_Stereo_Count	0
58902739	Undefined_Atom_Stereo_Count	1
69667	Molecular_Weight	104.15
77449069	Undefined_Atom_Stereo_Count	1
5284391	Non-hydrogen_Atom_Count	27
14724482	TPSA	552
53484567	Defined_Bond_Stereo_Count	0
101614363	Molecular_Weight	278.39
446195	Non-hydrogen_Atom_Count	17
42863	Isotope_Atom_Count	0
3678	Non-hydrogen_Atom_Count	21
91820194	Structure_Complexity	283
129019256	Isotope_Atom_Count	0
1115	TPSA	190
3613359	Mono_Isotopic_Weight	72.081324323
19065046	Defined_Bond_Stereo_Count	0
82730	Isotope_Atom_Count	0
20859	Undefined_Atom_Stereo_Count	0
79069	Non-hydrogen_Atom_Count	8
449281	Mono_Isotopic_Weight	607.10531
325003	Undefined_Atom_Stereo_Count	2
5464190	Structure_Complexity	869
16329	Mono_Isotopic_Weight	231.98876
156618073	Rotatable_Bond_Count	4
40361	Rotatable_Bond_Count	5
5352539	Undefined_Atom_Stereo_Count	0
2320	Undefined_Bond_Stereo_Count	1
11374717	Hydrogen_Bond_Donor_Count	1
58031952	Defined_Bond_Stereo_Count	0
219833	Rotatable_Bond_Count	1
146465392	Hydrogen_Bond_Donor_Count	0
134820051	Defined_Atom_Stereo_Count	0
9737	Defined_Bond_Stereo_Count	0
10428273	Defined_Atom_Stereo_Count	0
90441318	Covalent_Unit_Count	1
56842231	Exact_Mass	1140.59812858
66898	Exact_Mass	207.09291458
170563	Hydrogen_Bond_Donor_Count	2
141643	Defined_Atom_Stereo_Count	0
2863	Defined_Bond_Stereo_Count	0
53731118	Rotatable_Bond_Count	1
76980	Defined_Atom_Stereo_Count	0
91976487	Molecular_Weight	1917.0
21932259	Structure_Complexity	467
123190012	Defined_Bond_Stereo_Count	0
50129	Total_Formal_Charge	0
10080379	Defined_Atom_Stereo_Count	0
5152	Molecular_Weight	415.6
6440013	Non-hydrogen_Atom_Count	59
63403	Defined_Atom_Stereo_Count	0
75530159	Undefined_Atom_Stereo_Count	0
137698364	Defined_Bond_Stereo_Count	2
19978898	Defined_Atom_Stereo_Count	0
89748954	XLogP3-AA	1.6
44119664	Total_Formal_Charge	0
2997	Molecular_Weight	270.71
43905	Molecular_Weight	291.27
49843517	Hydrogen_Bond_Donor_Count	2
12302693	Defined_Bond_Stereo_Count	0
12431621	Structure_Complexity	55
101731271	Exact_Mass	97.089149355
87250	XLogP3	3.2
19633	Defined_Bond_Stereo_Count	0
44146477	Exact_Mass	371.1499506
75530316	Rotatable_Bond_Count	5
72271	Structure_Complexity	935
2763080	XLogP3-AA	0.3
14273	Hydrogen_Bond_Acceptor_Count	2
154091501	Defined_Bond_Stereo_Count	0
65092	TPSA	34.5
6559	Molecular_Weight	69.11
105421	Structure_Complexity	207
22833567	Defined_Atom_Stereo_Count	7
18430686	Isotope_Atom_Count	0
54602908	Total_Formal_Charge	0
711468	Non-hydrogen_Atom_Count	17
34633	Exact_Mass	427.15657746
30945	Exact_Mass	98.036779430
5364643	Hydrogen_Bond_Acceptor_Count	1
44305779	Exact_Mass	500.05177
20256	Defined_Bond_Stereo_Count	0
26192	Undefined_Bond_Stereo_Count	0
102515088	Hydrogen_Bond_Acceptor_Count	6
9570290	XLogP3	4.4
11626920	Covalent_Unit_Count	1
71545	Hydrogen_Bond_Donor_Count	0
4910	TPSA	29.5
442882	Covalent_Unit_Count	1
60201425	Isotope_Atom_Count	0
4098	XLogP3-AA	2.6
3335	Structure_Complexity	310
12478167	Defined_Bond_Stereo_Count	0
456161	Undefined_Bond_Stereo_Count	0
8926	Tautomer_Count	1
443046	Non-hydrogen_Atom_Count	31
283637	Molecular_Weight	110.15
55802	Non-hydrogen_Atom_Count	16
3035894	Defined_Bond_Stereo_Count	0
59907918	Exact_Mass	342.11621151
24439	Total_Formal_Charge	0
36307	Molecular_Weight	273.31
5289514	Covalent_Unit_Count	1
34837	Defined_Bond_Stereo_Count	0
102109	Hydrogen_Bond_Acceptor_Count	1
542381	Hydrogen_Bond_Acceptor_Count	3
87605	Defined_Atom_Stereo_Count	0
1245	TPSA	87
91700388	Isotope_Atom_Count	0
544588	Defined_Bond_Stereo_Count	0
5372174	Covalent_Unit_Count	1
162955	Hydrogen_Bond_Acceptor_Count	5
403802	Undefined_Bond_Stereo_Count	0
84339	Covalent_Unit_Count	1
13207	Total_Formal_Charge	0
19779961	Defined_Bond_Stereo_Count	0
5353831	Defined_Atom_Stereo_Count	0
11520	Isotope_Atom_Count	0
696858	Undefined_Bond_Stereo_Count	1
6477715	Hydrogen_Bond_Acceptor_Count	6
108092	Defined_Bond_Stereo_Count	0
8364	Defined_Bond_Stereo_Count	0
8508	Rotatable_Bond_Count	9
57519510	Exact_Mass	490.22295748
71955	Structure_Complexity	278
9521	TPSA	52
953	Hydrogen_Bond_Acceptor_Count	7
2799	Structure_Complexity	401
88937798	XLogP3-AA	0.4
25202592	Total_Formal_Charge	0
6418	Tautomer_Count	1
3344847	Mono_Isotopic_Weight	429.05049494
72200037	Covalent_Unit_Count	1
20219	Rotatable_Bond_Count	9
74574	Molecular_Weight	310.21
50980	Hydrogen_Bond_Acceptor_Count	7
15626755	Isotope_Atom_Count	0
1041	Molecular_Weight	390.07
12622744	Hydrogen_Bond_Donor_Count	0
131162679	Mono_Isotopic_Weight	117.078978594
652	Tautomer_Count	1
656587	Total_Formal_Charge	0
23662871	Exact_Mass	492.01742078
49865863	Covalent_Unit_Count	1
67519	Tautomer_Count	2
21907926	Molecular_Weight	124.06
53944814	Undefined_Bond_Stereo_Count	0
729	Total_Formal_Charge	0
123653016	Hydrogen_Bond_Donor_Count	0
17913	Defined_Bond_Stereo_Count	0
12599600	Defined_Atom_Stereo_Count	0
219023	Covalent_Unit_Count	1
18428533	Undefined_Atom_Stereo_Count	0
96386	Exact_Mass	214.229665576
398661	Hydrogen_Bond_Donor_Count	1
6096206	Mono_Isotopic_Weight	830.24537723
5281417	Non-hydrogen_Atom_Count	24
86240135	Undefined_Bond_Stereo_Count	0
443732	Molecular_Weight	71.12
9606	Hydrogen_Bond_Donor_Count	0
141603887	Undefined_Bond_Stereo_Count	0
79790	Covalent_Unit_Count	1
17865	Undefined_Atom_Stereo_Count	0
6937	Mono_Isotopic_Weight	164.120115130
6971033	Rotatable_Bond_Count	2
6438560	Rotatable_Bond_Count	8
108092	Rotatable_Bond_Count	8
10485	Hydrogen_Bond_Donor_Count	0
6185	Hydrogen_Bond_Donor_Count	3
755686	Structure_Complexity	329
15982019	Molecular_Weight	481.5
2734664	Hydrogen_Bond_Acceptor_Count	1
135409642	XLogP3-AA	4.9
398517	XLogP3-AA	2.5
28871	Isotope_Atom_Count	0
36303	XLogP3-AA	3.2
72849	Molecular_Weight	307.2
9235	Tautomer_Count	1
45051637	Structure_Complexity	19.1
4456	TPSA	29.5
3343558	XLogP3-AA	0.7
129852933	Undefined_Bond_Stereo_Count	0
5362118	TPSA	135
3034047	Defined_Atom_Stereo_Count	2
53851	Structure_Complexity	342
9690122	Non-hydrogen_Atom_Count	16
8033	Rotatable_Bond_Count	3
135398508	Tautomer_Count	9
16760503	Isotope_Atom_Count	0
71335300	TPSA	12.5
430245	TPSA	61.7
2734236	Exact_Mass	218.04186
68414798	Covalent_Unit_Count	3
87573795	Rotatable_Bond_Count	29
114946	Isotope_Atom_Count	0
3714831	Total_Formal_Charge	0
5459958	Exact_Mass	159.06573383
92600	TPSA	74.6
2111	Defined_Bond_Stereo_Count	0
534552	Total_Formal_Charge	0
21115778	TPSA	138
5281881	Defined_Bond_Stereo_Count	1
71671	Undefined_Atom_Stereo_Count	1
6437850	Structure_Complexity	184
582251	Defined_Bond_Stereo_Count	0
252163	Defined_Atom_Stereo_Count	0
441407	Isotope_Atom_Count	0
153791162	Rotatable_Bond_Count	1
65109	Defined_Bond_Stereo_Count	0
89976630	Mono_Isotopic_Weight	107.037113783
46220	Structure_Complexity	152
66663	Covalent_Unit_Count	1
25202562	Hydrogen_Bond_Donor_Count	0
260495	Undefined_Bond_Stereo_Count	0
72523	TPSA	12
7204	Mono_Isotopic_Weight	200.0240218
7636	Molecular_Weight	184.27
13530219	Defined_Bond_Stereo_Count	0
84715968	Mono_Isotopic_Weight	97.089149355
25204	Defined_Atom_Stereo_Count	0
8883	Hydrogen_Bond_Donor_Count	2
20054887	Defined_Atom_Stereo_Count	15
6276645	Total_Formal_Charge	0
14529	Undefined_Atom_Stereo_Count	0
86088606	Exact_Mass	112.052429494
42553	Covalent_Unit_Count	1
413519	Undefined_Bond_Stereo_Count	0
595230	Hydrogen_Bond_Acceptor_Count	2
556380	Mono_Isotopic_Weight	108.057514874
998021	TPSA	125
5288033	Defined_Bond_Stereo_Count	0
68154	Tautomer_Count	1
4103	Hydrogen_Bond_Acceptor_Count	7
6279	Total_Formal_Charge	0
25171648	Mono_Isotopic_Weight	492.22737416
903738	Exact_Mass	338.0491912
139078440	Defined_Bond_Stereo_Count	0
146159661	TPSA	23.5
91936858	Defined_Atom_Stereo_Count	1
4714721	Total_Formal_Charge	0
5362420	Hydrogen_Bond_Acceptor_Count	10
19077520	Exact_Mass	416.1415318
58070804	Hydrogen_Bond_Acceptor_Count	6
12476101	XLogP3-AA	2.7
23687713	Non-hydrogen_Atom_Count	14
90976358	Isotope_Atom_Count	0
95609	Undefined_Atom_Stereo_Count	1
6445008	Defined_Atom_Stereo_Count	0
7729	Hydrogen_Bond_Donor_Count	1
9403	Undefined_Bond_Stereo_Count	0
17995818	Structure_Complexity	94.4
6165447	Covalent_Unit_Count	1
5215	Hydrogen_Bond_Donor_Count	2
138199	Defined_Atom_Stereo_Count	0
11029787	Rotatable_Bond_Count	2
12850184	Molecular_Weight	426.34
23730921	XLogP3-AA	0.3
54080009	Defined_Bond_Stereo_Count	0
69109362	Hydrogen_Bond_Acceptor_Count	3
59703138	Hydrogen_Bond_Acceptor_Count	4
46934729	Hydrogen_Bond_Acceptor_Count	2
1118	Defined_Atom_Stereo_Count	0
76965007	Structure_Complexity	506
67805120	Exact_Mass	96.093900383
85178	Structure_Complexity	281
21880519	Exact_Mass	144.151415257
16213473	Hydrogen_Bond_Acceptor_Count	8
8058	Tautomer_Count	1
12240030	Covalent_Unit_Count	1
44630107	Undefined_Atom_Stereo_Count	1
101643292	Covalent_Unit_Count	4
12363650	Molecular_Weight	115.09
3674	Undefined_Bond_Stereo_Count	1
70454767	Hydrogen_Bond_Acceptor_Count	2
144531850	Mono_Isotopic_Weight	109.063997236
1960	Undefined_Bond_Stereo_Count	0
5206	XLogP3-AA	2.8
71453775	Non-hydrogen_Atom_Count	33
403165	Mono_Isotopic_Weight	339.98474
861	Undefined_Atom_Stereo_Count	1
4096517	Rotatable_Bond_Count	3
57398254	Undefined_Bond_Stereo_Count	0
6321422	Structure_Complexity	643
10231705	Defined_Atom_Stereo_Count	0
191109	Exact_Mass	131.037113783
46936572	Undefined_Atom_Stereo_Count	0
665387	Hydrogen_Bond_Donor_Count	1
136183442	Hydrogen_Bond_Donor_Count	4
32048	Total_Formal_Charge	0
5287468	Exact_Mass	526.18860586
16051040	Covalent_Unit_Count	1
165901	Structure_Complexity	317
60167543	Total_Formal_Charge	0
15405197	TPSA	6.5
11517146	XLogP3-AA	4.3
66908	Covalent_Unit_Count	1
129696858	Hydrogen_Bond_Acceptor_Count	8
12578534	TPSA	33
6053	Structure_Complexity	236
91166722	Hydrogen_Bond_Donor_Count	1
6434144	Covalent_Unit_Count	2
16005120	Isotope_Atom_Count	0
24878	Hydrogen_Bond_Acceptor_Count	2
22198	Structure_Complexity	55.5
6552009	Defined_Bond_Stereo_Count	0
8500	Mono_Isotopic_Weight	134.073164938
68057	Non-hydrogen_Atom_Count	13
18075	Molecular_Weight	210.23
546078	XLogP3-AA	0.3
15842091	Defined_Atom_Stereo_Count	0
9547713	Molecular_Weight	114.15
13099193	Mono_Isotopic_Weight	113.084063974
136266076	Mono_Isotopic_Weight	318.01162
6437065	Covalent_Unit_Count	2
12746990	Rotatable_Bond_Count	0
530132	Covalent_Unit_Count	1
380	Covalent_Unit_Count	1
48918	Molecular_Weight	269.34
6328250	TPSA	30.2
436542	Tautomer_Count	1
77048	Isotope_Atom_Count	0
6347	Hydrogen_Bond_Acceptor_Count	2
59034276	Exact_Mass	180.06338810
10898648	Rotatable_Bond_Count	0
67782238	XLogP3-AA	0.7
24642	Undefined_Atom_Stereo_Count	0
61140	Mono_Isotopic_Weight	136.0291072
72758138	Covalent_Unit_Count	1
65947	Mono_Isotopic_Weight	461.10568470
2724141	Undefined_Bond_Stereo_Count	0
27774	Defined_Atom_Stereo_Count	0
295763	TPSA	51.8
5284585	Rotatable_Bond_Count	4
84623	Defined_Bond_Stereo_Count	0
54309225	Non-hydrogen_Atom_Count	7
88344183	Defined_Atom_Stereo_Count	0
85299214	Defined_Bond_Stereo_Count	0
5317	Covalent_Unit_Count	1
36673	XLogP3	4.5
12228202	Rotatable_Bond_Count	0
37015	Covalent_Unit_Count	1
49800054	XLogP3	3.4
760006	Isotope_Atom_Count	0
98495	Non-hydrogen_Atom_Count	11
53736	Exact_Mass	244.157563266
13447028	Molecular_Weight	111.14
52914324	Isotope_Atom_Count	0
44093	Defined_Bond_Stereo_Count	0
55007	Molecular_Weight	304.3
483407	Molecular_Weight	513.7
6440940	Non-hydrogen_Atom_Count	17
20313	Isotope_Atom_Count	0
559740	Molecular_Weight	129.24
107649	Undefined_Atom_Stereo_Count	0
57393451	Total_Formal_Charge	0
15765418	Undefined_Bond_Stereo_Count	0
104930	Undefined_Atom_Stereo_Count	0
13244862	Isotope_Atom_Count	0
13157	Hydrogen_Bond_Donor_Count	1
12007083	Exact_Mass	420.20088463
65682	Total_Formal_Charge	0
57255355	TPSA	32.8
91683	Mono_Isotopic_Weight	314.0622189
647840	Exact_Mass	337.12602622
131460	Isotope_Atom_Count	0
21026	Undefined_Atom_Stereo_Count	0
222549	Isotope_Atom_Count	0
129636908	Hydrogen_Bond_Acceptor_Count	21
9821545	Undefined_Bond_Stereo_Count	0
62904	Hydrogen_Bond_Donor_Count	0
2881	Defined_Atom_Stereo_Count	0
18644925	Total_Formal_Charge	0
9834478	Hydrogen_Bond_Donor_Count	3
824784	Total_Formal_Charge	0
38853	Undefined_Atom_Stereo_Count	0
10061	Non-hydrogen_Atom_Count	28
12309518	TPSA	45.6
57074	Non-hydrogen_Atom_Count	26
67060	Hydrogen_Bond_Acceptor_Count	5
44229138	Defined_Bond_Stereo_Count	0
22450077	Rotatable_Bond_Count	3
10186986	Exact_Mass	535.21072103
8160	Covalent_Unit_Count	1
2467	Defined_Bond_Stereo_Count	0
23688907	Molecular_Weight	190.09
135564655	TPSA	271
524646	Undefined_Atom_Stereo_Count	2
77991	Tautomer_Count	1
93833	Exact_Mass	515.72168
54890	Undefined_Bond_Stereo_Count	0
5222844	Non-hydrogen_Atom_Count	6
139158	Non-hydrogen_Atom_Count	7
6819	Undefined_Bond_Stereo_Count	0
162743	Undefined_Bond_Stereo_Count	0
16213640	Non-hydrogen_Atom_Count	12
20614524	Hydrogen_Bond_Acceptor_Count	2
12980109	Covalent_Unit_Count	1
60148207	Mono_Isotopic_Weight	734.2492203
577543	Hydrogen_Bond_Donor_Count	1
11749858	Exact_Mass	397.16377084
79956	Mono_Isotopic_Weight	401.05039832
109198	Structure_Complexity	445
51136438	Non-hydrogen_Atom_Count	14
596336	Rotatable_Bond_Count	2
153977505	Molecular_Weight	96.09
20543	Exact_Mass	456.045747
129694466	Undefined_Bond_Stereo_Count	0
1368742	Covalent_Unit_Count	1
6539039	Undefined_Bond_Stereo_Count	0
9244	Rotatable_Bond_Count	0
12278295	Undefined_Atom_Stereo_Count	0
3003	Isotope_Atom_Count	0
62835	Tautomer_Count	2
71986	TPSA	77.3
11855	Isotope_Atom_Count	0
460516	Non-hydrogen_Atom_Count	17
33184	Defined_Bond_Stereo_Count	0
71309	Isotope_Atom_Count	0
2709	Defined_Bond_Stereo_Count	0
5326	TPSA	116
92666	Undefined_Bond_Stereo_Count	0
67978393	Molecular_Weight	96.13
10108830	TPSA	91.4
650960	Covalent_Unit_Count	1
5335	Non-hydrogen_Atom_Count	22
81056	Rotatable_Bond_Count	0
103023	Covalent_Unit_Count	1
5368010	Tautomer_Count	1
5362457	Molecular_Weight	585.8
129146	Structure_Complexity	205
131167766	Undefined_Atom_Stereo_Count	3
153767626	TPSA	29.6
2757950	TPSA	61.1
1979	Defined_Atom_Stereo_Count	0
21937642	Covalent_Unit_Count	1
6137	Isotope_Atom_Count	0
53324128	TPSA	78.3
24257	Structure_Complexity	163
66	TPSA	20.2
22140765	Defined_Atom_Stereo_Count	0
288862	TPSA	0
68624	Rotatable_Bond_Count	3
89200515	Hydrogen_Bond_Donor_Count	5
135398698	Hydrogen_Bond_Acceptor_Count	5
160565	Covalent_Unit_Count	1
72000	Hydrogen_Bond_Acceptor_Count	8
118210659	Rotatable_Bond_Count	0
66162	Molecular_Weight	340.4
12285870	Defined_Atom_Stereo_Count	4
157690	Undefined_Bond_Stereo_Count	0
16664362	Covalent_Unit_Count	1
19063438	Rotatable_Bond_Count	0
11691484	XLogP3-AA	2.5
587369	Mono_Isotopic_Weight	402.0149675
20542	Exact_Mass	332.225248902
441414	Mono_Isotopic_Weight	317.11106656
16076883	Molecular_Weight	748.3
637090	Hydrogen_Bond_Donor_Count	1
6474109	Undefined_Atom_Stereo_Count	0
65575055	Hydrogen_Bond_Acceptor_Count	1
10130270	TPSA	20.2
139060478	Defined_Atom_Stereo_Count	0
11073365	Mono_Isotopic_Weight	108.068748264
14416612	Rotatable_Bond_Count	1
141395	Isotope_Atom_Count	0
10159630	Mono_Isotopic_Weight	428.15835111
170813	Rotatable_Bond_Count	6
21610771	Hydrogen_Bond_Donor_Count	1
80037	Total_Formal_Charge	0
58143010	TPSA	43.4
61489	Hydrogen_Bond_Acceptor_Count	8
8156	Hydrogen_Bond_Donor_Count	0
43095	Molecular_Weight	258.36
85568	Structure_Complexity	158
22563962	Hydrogen_Bond_Donor_Count	0
21031	Hydrogen_Bond_Donor_Count	0
17564	Defined_Bond_Stereo_Count	0
67513158	TPSA	26.3
12275548	Non-hydrogen_Atom_Count	27
656837	Non-hydrogen_Atom_Count	36
2679179	Defined_Bond_Stereo_Count	0
5454	TPSA	77.5
3884	Exact_Mass	242.094294304
7779	Undefined_Atom_Stereo_Count	0
179822	Undefined_Atom_Stereo_Count	0
16421	Hydrogen_Bond_Donor_Count	0
217842	Mono_Isotopic_Weight	313.99188038
445892	Molecular_Weight	165.23
120738	Exact_Mass	261.172878976
42599603	TPSA	86
6400264	Covalent_Unit_Count	1
5361250	Molecular_Weight	198.18
135410875	Non-hydrogen_Atom_Count	31
95934	Non-hydrogen_Atom_Count	22
91447	Undefined_Bond_Stereo_Count	0
100969894	Non-hydrogen_Atom_Count	8
65919	Defined_Atom_Stereo_Count	0
10855394	Hydrogen_Bond_Donor_Count	1
19349372	Rotatable_Bond_Count	1
66503	Hydrogen_Bond_Donor_Count	2
4510	Non-hydrogen_Atom_Count	15
21881641	XLogP3-AA	4.2
18730041	Structure_Complexity	58.4
101136808	TPSA	554
21887872	Mono_Isotopic_Weight	82.0185425
23675349	Mono_Isotopic_Weight	264.09084324
517045	Molecular_Weight	82.03
123835510	TPSA	49.7
61008	Undefined_Atom_Stereo_Count	0
118924468	Rotatable_Bond_Count	1
6539286	XLogP3-AA	3.7
53317110	Non-hydrogen_Atom_Count	19
13195	Undefined_Bond_Stereo_Count	0
44339155	Exact_Mass	458.22392874
45076013	Total_Formal_Charge	0
535197	Exact_Mass	98.073164938
12536731	TPSA	9.2
1548971	Exact_Mass	410.17676144
24961094	Defined_Atom_Stereo_Count	0
17884104	Defined_Bond_Stereo_Count	0
54760130	Hydrogen_Bond_Donor_Count	2
5084	Undefined_Bond_Stereo_Count	0
23661960	Molecular_Weight	160.21
10252	Hydrogen_Bond_Donor_Count	2
78330	Total_Formal_Charge	0
10334	Mono_Isotopic_Weight	156.00674260
114849	Isotope_Atom_Count	0
77927	Defined_Bond_Stereo_Count	0
257950	Defined_Bond_Stereo_Count	0
50023	Structure_Complexity	255
94834	Rotatable_Bond_Count	0
49597	Molecular_Weight	311.76
12367843	Exact_Mass	108.093900383
68226	Defined_Atom_Stereo_Count	0
18402	Isotope_Atom_Count	0
6918405	Rotatable_Bond_Count	9
63855	Undefined_Atom_Stereo_Count	0
20497487	Hydrogen_Bond_Donor_Count	0
40473182	Isotope_Atom_Count	0
688107	Non-hydrogen_Atom_Count	15
9808654	Structure_Complexity	783
10962	Exact_Mass	183.97490
13196775	Rotatable_Bond_Count	2
96299	Mono_Isotopic_Weight	238.110613074
99894	Rotatable_Bond_Count	2
6710664	Rotatable_Bond_Count	5
123791702	Undefined_Bond_Stereo_Count	1
24958528	Structure_Complexity	757
2783	Non-hydrogen_Atom_Count	17
54676715	Undefined_Bond_Stereo_Count	0
8713	Total_Formal_Charge	0
11446308	Exact_Mass	117.053826475
170993	Hydrogen_Bond_Donor_Count	0
66086	Tautomer_Count	1
22052176	Hydrogen_Bond_Donor_Count	1
8527	Defined_Bond_Stereo_Count	0
6941	Tautomer_Count	1
8027	Hydrogen_Bond_Acceptor_Count	0
136120826	Defined_Bond_Stereo_Count	0
15942672	TPSA	63.2
5369209	Defined_Bond_Stereo_Count	1
90753995	Total_Formal_Charge	0
482	Structure_Complexity	824
88322	TPSA	46.9
148191	Rotatable_Bond_Count	11
6323264	Isotope_Atom_Count	0
510	Rotatable_Bond_Count	0
129148	Rotatable_Bond_Count	23
5813717	Defined_Atom_Stereo_Count	0
93074	Covalent_Unit_Count	1
12591942	Rotatable_Bond_Count	1
582408	TPSA	46.2
72326	Structure_Complexity	786
16095274	Covalent_Unit_Count	1
86929	Hydrogen_Bond_Donor_Count	0
53701126	Undefined_Bond_Stereo_Count	0
28080	Rotatable_Bond_Count	9
543909	Defined_Atom_Stereo_Count	0
288862	Non-hydrogen_Atom_Count	18
71342	Total_Formal_Charge	0
656641	Molecular_Weight	582.8
483998	Covalent_Unit_Count	1
96405	Molecular_Weight	147.15
16290686	Hydrogen_Bond_Donor_Count	3
87119	Undefined_Bond_Stereo_Count	0
153648135	Undefined_Atom_Stereo_Count	1
138680	Undefined_Bond_Stereo_Count	0
10290754	Molecular_Weight	102.14
10291132	Undefined_Atom_Stereo_Count	0
152754843	Total_Formal_Charge	0
22772	Tautomer_Count	1
3081078	Hydrogen_Bond_Acceptor_Count	2
421	Covalent_Unit_Count	1
19768091	Hydrogen_Bond_Donor_Count	0
20203832	Covalent_Unit_Count	1
11430856	Mono_Isotopic_Weight	450.26646226
53494972	XLogP3-AA	3.4
135983	Covalent_Unit_Count	1
17948845	Defined_Bond_Stereo_Count	0
666418	Exact_Mass	180.07211956
24972883	Defined_Bond_Stereo_Count	0
9128	XLogP3	6.4
181134	Total_Formal_Charge	0
84589	Rotatable_Bond_Count	15
156580566	XLogP3-AA	3.2
4180	Structure_Complexity	236
734215	XLogP3	4.4
90127741	Defined_Atom_Stereo_Count	0
136115428	Defined_Bond_Stereo_Count	0
4369563	Hydrogen_Bond_Donor_Count	2
78422638	Isotope_Atom_Count	0
10953443	Undefined_Bond_Stereo_Count	0
43436603	TPSA	44
14920524	Covalent_Unit_Count	1
80	Mono_Isotopic_Weight	172.03717335
67944215	Undefined_Atom_Stereo_Count	1
5369258	Defined_Bond_Stereo_Count	1
6999016	Tautomer_Count	1
65124	TPSA	129
86590530	Rotatable_Bond_Count	0
20378083	Structure_Complexity	98.6
59295958	Rotatable_Bond_Count	7
67324	Rotatable_Bond_Count	2
2958	Undefined_Atom_Stereo_Count	6
22385	Hydrogen_Bond_Acceptor_Count	0
5288209	Rotatable_Bond_Count	6
4886	TPSA	30.9
71850	TPSA	0
10500527	Isotope_Atom_Count	0
443040	TPSA	37.4
70689792	Undefined_Bond_Stereo_Count	0
140473289	Defined_Atom_Stereo_Count	12
123894108	Defined_Atom_Stereo_Count	0
3254	Isotope_Atom_Count	0
3722461	Undefined_Bond_Stereo_Count	0
89708952	Exact_Mass	113.047678466
4644996	Mono_Isotopic_Weight	106.98029013
20649100	Isotope_Atom_Count	0
91667752	Defined_Bond_Stereo_Count	0
99382	Undefined_Atom_Stereo_Count	0
129868321	Defined_Atom_Stereo_Count	0
7267	Undefined_Bond_Stereo_Count	0
19979685	Exact_Mass	112.063662883
10196873	Non-hydrogen_Atom_Count	43
436906	Isotope_Atom_Count	0
59021	TPSA	107
9457	Isotope_Atom_Count	0
5160	Covalent_Unit_Count	1
4678317	Hydrogen_Bond_Acceptor_Count	1
69188	Defined_Bond_Stereo_Count	0
123271707	Undefined_Atom_Stereo_Count	5
10873438	Molecular_Weight	416.6
18645875	Isotope_Atom_Count	0
65109	Isotope_Atom_Count	0
150	Hydrogen_Bond_Acceptor_Count	8
72200292	Isotope_Atom_Count	0
22830	TPSA	63.4
50878565	Molecular_Weight	452.5
361739	Undefined_Bond_Stereo_Count	1
12990	TPSA	17.1
4329331	XLogP3-AA	4.7
60165806	Rotatable_Bond_Count	8
136037280	Defined_Atom_Stereo_Count	0
12000240	Rotatable_Bond_Count	11
6405	Isotope_Atom_Count	0
46893453	Defined_Atom_Stereo_Count	0
12966	Exact_Mass	202.12050905
211202	Defined_Atom_Stereo_Count	0
52940942	TPSA	77.2
11009533	XLogP3-AA	2
443933	Isotope_Atom_Count	0
71486	Covalent_Unit_Count	2
49865355	Hydrogen_Bond_Acceptor_Count	4
155560570	Total_Formal_Charge	0
16996	Mono_Isotopic_Weight	179.996103
7397	Undefined_Atom_Stereo_Count	0
13632	Isotope_Atom_Count	0
60196348	Hydrogen_Bond_Donor_Count	1
7657	Structure_Complexity	137
346	Molecular_Weight	272.25
60159	Isotope_Atom_Count	0
95978	TPSA	26.3
98051220	Molecular_Weight	364.9
6940	Undefined_Atom_Stereo_Count	0
62556	Defined_Bond_Stereo_Count	0
13434377	Rotatable_Bond_Count	5
550814	Hydrogen_Bond_Donor_Count	2
21439	Defined_Bond_Stereo_Count	0
21302490	XLogP3-AA	3.8
16049448	Structure_Complexity	581
20262	Tautomer_Count	3
453077	Structure_Complexity	247
14546	Mono_Isotopic_Weight	215.9744848
652019	Structure_Complexity	781
542556	Structure_Complexity	308
13737991	Exact_Mass	88.052429494
44455404	Hydrogen_Bond_Donor_Count	3
102481651	TPSA	9.2
520326	Undefined_Atom_Stereo_Count	1
45791180	Non-hydrogen_Atom_Count	7
38706	Non-hydrogen_Atom_Count	12
129629038	Exact_Mass	181.06674293
135459971	Hydrogen_Bond_Donor_Count	4
3310	TPSA	161
9834591	Isotope_Atom_Count	0
13432441	Hydrogen_Bond_Donor_Count	2
54675866	Defined_Bond_Stereo_Count	0
15088	Molecular_Weight	194.18
18323	TPSA	119
69829	Defined_Bond_Stereo_Count	0
62708	Total_Formal_Charge	0
3055	Non-hydrogen_Atom_Count	23
317542	Mono_Isotopic_Weight	112.088815002
4548	Defined_Atom_Stereo_Count	0
76970981	Hydrogen_Bond_Donor_Count	1
4668904	Mono_Isotopic_Weight	241.8703672
36890	Exact_Mass	371.14812078
643918	Undefined_Atom_Stereo_Count	0
50997747	Total_Formal_Charge	0
13739752	Undefined_Bond_Stereo_Count	0
69810334	Exact_Mass	110.073164938
9840857	Defined_Bond_Stereo_Count	0
60196274	Molecular_Weight	344.8
89144	Structure_Complexity	216
94904	Rotatable_Bond_Count	0
10801933	Exact_Mass	97.089149355
6442568	Non-hydrogen_Atom_Count	12
12040	Tautomer_Count	1
1140	Hydrogen_Bond_Acceptor_Count	0
23689390	TPSA	81.6
95162412	Defined_Bond_Stereo_Count	0
86882	Hydrogen_Bond_Acceptor_Count	2
719704	Undefined_Atom_Stereo_Count	0
54392998	Mono_Isotopic_Weight	117.078978594
122534114	Hydrogen_Bond_Donor_Count	8
8775	Molecular_Weight	366.08
78949	Hydrogen_Bond_Donor_Count	1
5460299	Mono_Isotopic_Weight	146.04533274
98416	Mono_Isotopic_Weight	246.125594432
704232	Mono_Isotopic_Weight	312.14739250
12648080	TPSA	39.4
6389	Total_Formal_Charge	0
14336	Non-hydrogen_Atom_Count	14
10491069	Defined_Bond_Stereo_Count	0
6608	Non-hydrogen_Atom_Count	15
101444	Defined_Bond_Stereo_Count	0
445785	Rotatable_Bond_Count	19
3466040	Exact_Mass	268.1798590
71517868	Defined_Atom_Stereo_Count	1
162127	Defined_Bond_Stereo_Count	0
1201546	Molecular_Weight	133.20
68658	Molecular_Weight	313.22
78131	Undefined_Bond_Stereo_Count	0
8784	Defined_Bond_Stereo_Count	0
13789	Hydrogen_Bond_Donor_Count	0
10219385	Exact_Mass	97.052763847
17195	Non-hydrogen_Atom_Count	26
5355219	TPSA	53.1
714	Exact_Mass	795.11012487
16186582	TPSA	824
25076512	Defined_Bond_Stereo_Count	0
683563	Hydrogen_Bond_Donor_Count	1
21162823	Hydrogen_Bond_Donor_Count	2
146159711	Undefined_Bond_Stereo_Count	5
64	Structure_Complexity	176
14865900	XLogP3-AA	0.2
62753	XLogP3-AA	10.6
66825	Exact_Mass	188.02556330
11612642	Mono_Isotopic_Weight	477.21761793
143888994	Covalent_Unit_Count	1
68169200	Mono_Isotopic_Weight	110.073164938
3034394	Defined_Bond_Stereo_Count	0
85573568	Mono_Isotopic_Weight	97.063997236
1241420	Defined_Bond_Stereo_Count	0
165	Defined_Atom_Stereo_Count	0
7533	Exact_Mass	179.06161445
785244	Hydrogen_Bond_Acceptor_Count	4
13019072	Molecular_Weight	416.6
58195	Total_Formal_Charge	0
21789	XLogP3-AA	1.2
11755113	Undefined_Atom_Stereo_Count	1
9227	Rotatable_Bond_Count	0
5282443	Exact_Mass	278.178298710
28531	Mono_Isotopic_Weight	331.08445790
67432369	Rotatable_Bond_Count	0
56945145	Undefined_Atom_Stereo_Count	1
88464430	Molecular_Weight	117.15
11607904	Defined_Bond_Stereo_Count	0
12682	Non-hydrogen_Atom_Count	9
72930	Hydrogen_Bond_Acceptor_Count	4
239760	Rotatable_Bond_Count	3
93154	Undefined_Atom_Stereo_Count	1
17318	Exact_Mass	248.10800027
156592279	Defined_Bond_Stereo_Count	1
19829703	Structure_Complexity	78.9
537037	TPSA	135
18998026	Structure_Complexity	66.6
84098	Isotope_Atom_Count	0
15739357	Isotope_Atom_Count	0
14920523	Defined_Atom_Stereo_Count	0
12176	Covalent_Unit_Count	1
137699570	Covalent_Unit_Count	1
79043	Undefined_Bond_Stereo_Count	0
90643	Hydrogen_Bond_Acceptor_Count	0
37037	Molecular_Weight	395.3
22591521	Hydrogen_Bond_Acceptor_Count	3
20553	Structure_Complexity	70.9
12245594	Exact_Mass	92.062600255
67808	Rotatable_Bond_Count	1
15257	Total_Formal_Charge	0
41114	Total_Formal_Charge	0
21124335	Tautomer_Count	3
659009	Defined_Atom_Stereo_Count	0
52948154	Total_Formal_Charge	0
136796	Mono_Isotopic_Weight	130.078250319
12671690	Defined_Bond_Stereo_Count	0
135413496	Undefined_Atom_Stereo_Count	0
70681	Tautomer_Count	1
12873460	XLogP3-AA	1
2733294	Hydrogen_Bond_Acceptor_Count	2
16796	Covalent_Unit_Count	1
52421	TPSA	116
163988282	Non-hydrogen_Atom_Count	8
85999939	Defined_Atom_Stereo_Count	0
13270940	Rotatable_Bond_Count	0
70732	TPSA	33.1
50993725	Defined_Bond_Stereo_Count	0
323	Molecular_Weight	146.14
933147	Mono_Isotopic_Weight	293.0138088
24868267	Defined_Atom_Stereo_Count	0
702695	Undefined_Bond_Stereo_Count	0
107349	Defined_Atom_Stereo_Count	0
524655	Total_Formal_Charge	0
71184	Total_Formal_Charge	0
2781	Undefined_Atom_Stereo_Count	2
3246941	Mono_Isotopic_Weight	297.19400834
61534	Undefined_Bond_Stereo_Count	0
54573150	Non-hydrogen_Atom_Count	8
51041322	XLogP3	0.7
44586473	Total_Formal_Charge	0
224243	Undefined_Atom_Stereo_Count	2
24758983	Rotatable_Bond_Count	7
7768	Total_Formal_Charge	0
83528703	Defined_Bond_Stereo_Count	0
53766125	Hydrogen_Bond_Donor_Count	2
505	Rotatable_Bond_Count	5
71730	Covalent_Unit_Count	1
348	Rotatable_Bond_Count	5
21655019	Exact_Mass	84.032362755
11731903	Tautomer_Count	1
15402	Defined_Atom_Stereo_Count	0
88154	Undefined_Atom_Stereo_Count	0
2804997	Undefined_Atom_Stereo_Count	0
135438424	Non-hydrogen_Atom_Count	41
86187	XLogP3-AA	2
91298633	Undefined_Bond_Stereo_Count	0
91168961	Total_Formal_Charge	0
87190	Undefined_Atom_Stereo_Count	0
122499	Isotope_Atom_Count	0
12596780	Molecular_Weight	78.07
67858481	XLogP3-AA	0
13223	Mono_Isotopic_Weight	164.047344113
88928	Undefined_Bond_Stereo_Count	0
446400	XLogP3-AA	6.8
107992	Mono_Isotopic_Weight	198.0672241
5238474	Non-hydrogen_Atom_Count	20
9887537	Molecular_Weight	405.5
12491609	Exact_Mass	112.088815002
130866606	Structure_Complexity	131
68090055	Covalent_Unit_Count	1
11249248	Undefined_Atom_Stereo_Count	0
19518	TPSA	69.2
91809622	Structure_Complexity	474
359778	Molecular_Weight	324.2
4913243	Covalent_Unit_Count	1
44389437	Total_Formal_Charge	0
9187	Defined_Atom_Stereo_Count	0
916113	Mono_Isotopic_Weight	313.08849790
13736253	Defined_Atom_Stereo_Count	0
4128060	Defined_Bond_Stereo_Count	0
8249	TPSA	103
6849	Rotatable_Bond_Count	0
59531373	Defined_Bond_Stereo_Count	0
25027363	Defined_Atom_Stereo_Count	11
97105	Total_Formal_Charge	0
160796	Defined_Atom_Stereo_Count	0
5284385	TPSA	44.5
90579	XLogP3	1.5
10883	Hydrogen_Bond_Acceptor_Count	3
11850983	Non-hydrogen_Atom_Count	17
72332520	Hydrogen_Bond_Donor_Count	0
132575067	Isotope_Atom_Count	0
122	Non-hydrogen_Atom_Count	14
162918375	Defined_Bond_Stereo_Count	1
68396089	Defined_Bond_Stereo_Count	0
642781	Hydrogen_Bond_Donor_Count	0
628889	Mono_Isotopic_Weight	315.0217694
39031	Isotope_Atom_Count	0
47714	Exact_Mass	390.28824308
520148	Exact_Mass	206.130679813
22220113	Hydrogen_Bond_Donor_Count	1
7017101	Undefined_Atom_Stereo_Count	0
93189	Molecular_Weight	178.27
2734898	Covalent_Unit_Count	3
12644711	Total_Formal_Charge	0
574495	Undefined_Atom_Stereo_Count	12
15054176	Covalent_Unit_Count	1
24597	Hydrogen_Bond_Acceptor_Count	4
117188004	Isotope_Atom_Count	0
8843	TPSA	17.1
62484	Isotope_Atom_Count	0
120303	Non-hydrogen_Atom_Count	8
35625	Total_Formal_Charge	0
135413546	Defined_Bond_Stereo_Count	1
5977	Non-hydrogen_Atom_Count	8
130443213	Defined_Bond_Stereo_Count	0
84420187	Defined_Bond_Stereo_Count	0
10081060	Hydrogen_Bond_Donor_Count	5
49865920	Exact_Mass	350.199428076
585785	Defined_Atom_Stereo_Count	0
182362	Molecular_Weight	254.24
57417360	Total_Formal_Charge	0
5282459	Hydrogen_Bond_Donor_Count	0
6887	Isotope_Atom_Count	0
4871	Rotatable_Bond_Count	3
73030065	Covalent_Unit_Count	2
527511	Hydrogen_Bond_Donor_Count	0
53316138	TPSA	170
114823056	Rotatable_Bond_Count	0
11181	Structure_Complexity	79.8
135458645	Mono_Isotopic_Weight	846.44150881
4026	Covalent_Unit_Count	1
25153273	Non-hydrogen_Atom_Count	11
135398634	Hydrogen_Bond_Donor_Count	3
22675	XLogP3-AA	4.1
9793848	Rotatable_Bond_Count	3
6441012	Total_Formal_Charge	0
14151226	TPSA	20.3
28864	Mono_Isotopic_Weight	338.21066147
10527347	Molecular_Weight	446.4
162642814	Undefined_Bond_Stereo_Count	0
52950209	Covalent_Unit_Count	1
20727	Total_Formal_Charge	0
138059757	Non-hydrogen_Atom_Count	31
60196393	Exact_Mass	263.08029903
65787	Undefined_Bond_Stereo_Count	0
80265	TPSA	18.5
22137184	Total_Formal_Charge	0
401234	Exact_Mass	192.06472551
51029964	Defined_Atom_Stereo_Count	1
33599	Defined_Bond_Stereo_Count	0
54292409	Structure_Complexity	98.7
10111431	Defined_Bond_Stereo_Count	0
88793951	Rotatable_Bond_Count	2
83193	Non-hydrogen_Atom_Count	10
90777230	Molecular_Weight	114.10
62530	Structure_Complexity	200
14061673	Isotope_Atom_Count	0
12377442	Defined_Bond_Stereo_Count	0
2453	Hydrogen_Bond_Acceptor_Count	2
73619	Structure_Complexity	1140
13811	Mono_Isotopic_Weight	526.28768825
11508	Defined_Atom_Stereo_Count	0
49862626	TPSA	57.8
135332658	Structure_Complexity	134
60196374	Covalent_Unit_Count	2
79196	Molecular_Weight	114.19
3482402	Covalent_Unit_Count	1
77828	Defined_Bond_Stereo_Count	0
149396638	Hydrogen_Bond_Donor_Count	0
408536	Structure_Complexity	500
17846631	Structure_Complexity	240
16120191	Non-hydrogen_Atom_Count	13
8908	Defined_Bond_Stereo_Count	0
14897272	Exact_Mass	102.079312947
44033	TPSA	16.6
56828	Rotatable_Bond_Count	9
5311424	Rotatable_Bond_Count	5
97886	Defined_Atom_Stereo_Count	0
4501	Undefined_Atom_Stereo_Count	0
11126224	Exact_Mass	116.047344113
6420074	Total_Formal_Charge	0
15702065	XLogP3-AA	0
21307	Defined_Atom_Stereo_Count	0
42725	Mono_Isotopic_Weight	227.105862047
68129	Mono_Isotopic_Weight	112.016043985
13203	Covalent_Unit_Count	1
17884104	Isotope_Atom_Count	0
398640	Undefined_Atom_Stereo_Count	0
2531445	Hydrogen_Bond_Acceptor_Count	6
9053	TPSA	74.6
3032536	Mono_Isotopic_Weight	128.870899
88734521	Undefined_Atom_Stereo_Count	2
204735	Structure_Complexity	103
441302	Undefined_Atom_Stereo_Count	0
79642	Molecular_Weight	231.63
676399	Defined_Atom_Stereo_Count	1
149127983	Molecular_Weight	100.16
78323	Exact_Mass	241.94577
225710	Undefined_Bond_Stereo_Count	0
330395	Mono_Isotopic_Weight	113.084063974
702695	Structure_Complexity	244
30874	Non-hydrogen_Atom_Count	13
4830	Covalent_Unit_Count	1
59221	Total_Formal_Charge	0
15287162	Structure_Complexity	735
16280	Structure_Complexity	212
9862076	Rotatable_Bond_Count	3
5918	Isotope_Atom_Count	0
13163	Total_Formal_Charge	0
86186	Covalent_Unit_Count	1
6975516	Covalent_Unit_Count	1
29801	Tautomer_Count	2
546946	Structure_Complexity	52
19920	Mono_Isotopic_Weight	116.083729621
101181995	Rotatable_Bond_Count	6
315411	Isotope_Atom_Count	0
2131	Exact_Mass	536.2684820
18364059	Mono_Isotopic_Weight	86.036779430
133126687	Total_Formal_Charge	0
214339	XLogP3-AA	4
24963252	Molecular_Weight	504.23
58044734	Exact_Mass	99.068413911
918602	Hydrogen_Bond_Donor_Count	1
75905	Hydrogen_Bond_Donor_Count	1
4120	XLogP3-AA	1.3
62416539	Undefined_Bond_Stereo_Count	0
96891	Defined_Atom_Stereo_Count	0
4265	Structure_Complexity	904
3061	Hydrogen_Bond_Acceptor_Count	13
16490	Defined_Atom_Stereo_Count	9
61101	Tautomer_Count	1
29739	Undefined_Bond_Stereo_Count	0
201538	Covalent_Unit_Count	2
148184759	Undefined_Bond_Stereo_Count	0
24742076	Defined_Bond_Stereo_Count	0
3940691	Non-hydrogen_Atom_Count	16
1476679	Isotope_Atom_Count	0
5475	Undefined_Atom_Stereo_Count	0
137635	Defined_Atom_Stereo_Count	0
3246242	TPSA	62.3
21893625	Defined_Atom_Stereo_Count	0
53917786	Hydrogen_Bond_Donor_Count	1
993	Hydrogen_Bond_Donor_Count	4
674	Exact_Mass	45.057849228
11115995	Hydrogen_Bond_Donor_Count	0
101513786	TPSA	110
34526	Hydrogen_Bond_Donor_Count	0
543565	Rotatable_Bond_Count	3
5462077	Isotope_Atom_Count	0
15788366	TPSA	66.2
135410914	Isotope_Atom_Count	0
10464455	Defined_Atom_Stereo_Count	0
541675	Total_Formal_Charge	0
15587	Covalent_Unit_Count	2
54066875	Undefined_Atom_Stereo_Count	0
135424354	Tautomer_Count	17
10606713	Mono_Isotopic_Weight	113.047678466
19073879	Total_Formal_Charge	0
17572160	Molecular_Weight	863.3
71911	Covalent_Unit_Count	1
62737	Undefined_Bond_Stereo_Count	0
135413536	Undefined_Bond_Stereo_Count	0
135643052	Hydrogen_Bond_Acceptor_Count	5
148816436	Molecular_Weight	112.17
67944	Molecular_Weight	214.3
3080938	Tautomer_Count	1
60652	Structure_Complexity	380
9948102	Hydrogen_Bond_Acceptor_Count	2
342737	Structure_Complexity	590
12500500	Undefined_Atom_Stereo_Count	1
59045964	Exact_Mass	111.068413911
83091	Hydrogen_Bond_Donor_Count	0
410214	Isotope_Atom_Count	0
76206	Mono_Isotopic_Weight	134.0134572
85441390	Non-hydrogen_Atom_Count	7
13786729	Exact_Mass	111.068413911
126981343	Undefined_Bond_Stereo_Count	0
11126361	XLogP3-AA	0.5
89311461	Molecular_Weight	114.15
9995236	Isotope_Atom_Count	0
70695616	TPSA	3080
102601816	TPSA	110
20739	Exact_Mass	142.135765193
17963336	Undefined_Atom_Stereo_Count	0
35781	Molecular_Weight	192.21
20325398	XLogP3-AA	0.5
5352135	Mono_Isotopic_Weight	387.219829168
11161534	Rotatable_Bond_Count	3
800	Defined_Bond_Stereo_Count	0
5352426	Defined_Bond_Stereo_Count	0
198382	Total_Formal_Charge	0
13546	Rotatable_Bond_Count	2
444493	Molecular_Weight	809.6
71309128	Non-hydrogen_Atom_Count	12
164877	Isotope_Atom_Count	0
9874874	Hydrogen_Bond_Acceptor_Count	11
14382273	Molecular_Weight	116.16
24752885	Exact_Mass	270.18310931
11000531	Rotatable_Bond_Count	2
534094	Undefined_Bond_Stereo_Count	0
45280821	Molecular_Weight	1112.4
44512434	Covalent_Unit_Count	1
704481	Non-hydrogen_Atom_Count	24
137170	Exact_Mass	122.073164938
86609	Covalent_Unit_Count	1
42153	XLogP3	2.7
507	Defined_Bond_Stereo_Count	0
151446	Defined_Atom_Stereo_Count	4
77941	Hydrogen_Bond_Donor_Count	1
70688149	Covalent_Unit_Count	1
13930075	Molecular_Weight	113.16
86811213	TPSA	49.8
148201	Covalent_Unit_Count	1
6918837	Exact_Mass	349.17902698
11519069	TPSA	29.5
66545744	Defined_Atom_Stereo_Count	2
124018515	Hydrogen_Bond_Donor_Count	0
131954782	Mono_Isotopic_Weight	1348.60159125
15953	Hydrogen_Bond_Donor_Count	0
16211113	Rotatable_Bond_Count	3
68198	Defined_Bond_Stereo_Count	0
25323	Non-hydrogen_Atom_Count	11
189914	Exact_Mass	450.23257867
80375	XLogP3	4.3
54587229	Non-hydrogen_Atom_Count	28
10532551	Exact_Mass	678.26494143
60947	Defined_Bond_Stereo_Count	0
23724530	Covalent_Unit_Count	1
99271	Total_Formal_Charge	0
20713453	Non-hydrogen_Atom_Count	8
9162	Total_Formal_Charge	0
3264839	Total_Formal_Charge	0
11478	Hydrogen_Bond_Acceptor_Count	7
65902	XLogP3-AA	3.4
32091	Defined_Bond_Stereo_Count	0
475	Non-hydrogen_Atom_Count	15
155713	Non-hydrogen_Atom_Count	16
2756396	Structure_Complexity	58.3
5368451	TPSA	0
890718	Total_Formal_Charge	0
3033817	Undefined_Bond_Stereo_Count	0
135554441	Defined_Atom_Stereo_Count	3
18359433	Total_Formal_Charge	0
82148	Mono_Isotopic_Weight	243.125928785
9832136	Undefined_Atom_Stereo_Count	0
2826036	Hydrogen_Bond_Acceptor_Count	4
439215	Undefined_Atom_Stereo_Count	1
28315	Undefined_Atom_Stereo_Count	0
20617585	Non-hydrogen_Atom_Count	7
77064	Mono_Isotopic_Weight	88.100048391
82738	Non-hydrogen_Atom_Count	49
5311360	Undefined_Atom_Stereo_Count	0
62406	Hydrogen_Bond_Donor_Count	1
3326	Non-hydrogen_Atom_Count	28
443868	Structure_Complexity	917
25203302	Mono_Isotopic_Weight	291.83707
398631	Hydrogen_Bond_Acceptor_Count	4
49865973	XLogP3-AA	2.7
893322	TPSA	92.9
257	Total_Formal_Charge	0
60196431	Exact_Mass	360.1259001
79297905	Undefined_Bond_Stereo_Count	0
135518082	Covalent_Unit_Count	1
31246	TPSA	17.1
2759227	Exact_Mass	253.05863707
232326	Defined_Atom_Stereo_Count	0
66489873	Undefined_Bond_Stereo_Count	0
118210808	Exact_Mass	114.068079557
11460	Undefined_Bond_Stereo_Count	0
54587596	Rotatable_Bond_Count	9
137295283	Mono_Isotopic_Weight	690.11624602
11293303	Structure_Complexity	607
119177	Isotope_Atom_Count	0
71541096	Non-hydrogen_Atom_Count	18
13291788	Undefined_Atom_Stereo_Count	0
4259	Mono_Isotopic_Weight	401.17508442
79048	Molecular_Weight	98.14
9952396	Defined_Bond_Stereo_Count	0
4144353	Undefined_Atom_Stereo_Count	0
31209	Rotatable_Bond_Count	6
706054	Exact_Mass	278.153146591
78352	Defined_Bond_Stereo_Count	0
5288598	Mono_Isotopic_Weight	238.09535693
14139322	Hydrogen_Bond_Acceptor_Count	1
67462786	Undefined_Atom_Stereo_Count	0
117859259	Exact_Mass	108.032362755
22379	Defined_Bond_Stereo_Count	0
14200857	Hydrogen_Bond_Donor_Count	0
39985	Structure_Complexity	358
18636	Molecular_Weight	459.7
23204	Molecular_Weight	204.35
57000164	Defined_Bond_Stereo_Count	0
30154	Mono_Isotopic_Weight	98.950726
1281	Defined_Bond_Stereo_Count	0
2775641	Undefined_Bond_Stereo_Count	0
30196	TPSA	57.5
13197669	Hydrogen_Bond_Donor_Count	1
24737670	Rotatable_Bond_Count	5
22015260	Hydrogen_Bond_Donor_Count	0
2063927	Defined_Atom_Stereo_Count	0
13245696	Total_Formal_Charge	0
3164136	Non-hydrogen_Atom_Count	10
11554076	Structure_Complexity	755
84075989	Non-hydrogen_Atom_Count	8
216258	Defined_Bond_Stereo_Count	0
156428	Hydrogen_Bond_Donor_Count	4
141330	Defined_Atom_Stereo_Count	0
45933929	Defined_Atom_Stereo_Count	3
135429738	Defined_Atom_Stereo_Count	0
87035	Hydrogen_Bond_Donor_Count	2
616630	Hydrogen_Bond_Donor_Count	2
566032	XLogP3-AA	2.4
104944	Mono_Isotopic_Weight	94.041864811
6971016	Covalent_Unit_Count	1
12659781	Non-hydrogen_Atom_Count	6
58071	XLogP3-AA	2.7
15920061	Defined_Bond_Stereo_Count	0
15575	Undefined_Bond_Stereo_Count	0
31336	Defined_Bond_Stereo_Count	0
14417887	Total_Formal_Charge	0
19425	Total_Formal_Charge	0
638011	Defined_Atom_Stereo_Count	0
2724951	Hydrogen_Bond_Acceptor_Count	2
129627802	Molecular_Weight	843.1
4054588	Undefined_Bond_Stereo_Count	1
51066536	Structure_Complexity	675
89229710	Mono_Isotopic_Weight	113.058911855
3229	Mono_Isotopic_Weight	320.12846858
55287240	Defined_Atom_Stereo_Count	0
14117201	Defined_Bond_Stereo_Count	0
5284421	TPSA	26.3
42574	Rotatable_Bond_Count	4
56666742	TPSA	108
59774	Defined_Bond_Stereo_Count	0
5355026	Exact_Mass	218.167065321
47703	Isotope_Atom_Count	0
53734710	Undefined_Bond_Stereo_Count	0
619387	Undefined_Atom_Stereo_Count	1
9907412	Hydrogen_Bond_Acceptor_Count	4
37109	Isotope_Atom_Count	0
9954944	Hydrogen_Bond_Acceptor_Count	11
1596	Total_Formal_Charge	0
636345	Covalent_Unit_Count	1
15560527	Rotatable_Bond_Count	0
16211941	Non-hydrogen_Atom_Count	12
536549	Isotope_Atom_Count	0
10092649	Undefined_Atom_Stereo_Count	0
62669683	Isotope_Atom_Count	0
23341440	Isotope_Atom_Count	0
1201445	Undefined_Bond_Stereo_Count	0
5287855	Defined_Atom_Stereo_Count	0
10029970	Non-hydrogen_Atom_Count	38
61103	Tautomer_Count	1
12711588	Undefined_Atom_Stereo_Count	1
121098	Rotatable_Bond_Count	8
10240	Structure_Complexity	307
55286536	Defined_Bond_Stereo_Count	0
6443795	TPSA	230
83976	Rotatable_Bond_Count	10
24936995	Structure_Complexity	175
86007746	Undefined_Bond_Stereo_Count	0
101222073	Exact_Mass	646.28903092
67948733	Defined_Atom_Stereo_Count	0
4679699	Molecular_Weight	188.57
101938021	TPSA	46.5
6196	XLogP3	2.4
1004	Hydrogen_Bond_Acceptor_Count	4
439263	TPSA	20.2
706485	Defined_Bond_Stereo_Count	0
40466988	XLogP3-AA	1.8
7895	Hydrogen_Bond_Donor_Count	0
9802673	Tautomer_Count	1
126479882	Mono_Isotopic_Weight	637.15978786
4571243	Structure_Complexity	296
6426742	Covalent_Unit_Count	1
14392758	Isotope_Atom_Count	0
141758021	Undefined_Atom_Stereo_Count	0
24742076	Structure_Complexity	642
54870	TPSA	28.5
22016536	Mono_Isotopic_Weight	424.25733687
5363097	Exact_Mass	252.245315640
39688	Isotope_Atom_Count	0
5359967	Hydrogen_Bond_Donor_Count	0
25010775	Non-hydrogen_Atom_Count	25
233979	Hydrogen_Bond_Acceptor_Count	2
192154	Hydrogen_Bond_Donor_Count	0
78808	Non-hydrogen_Atom_Count	6
9708	Covalent_Unit_Count	1
2723772	Exact_Mass	116.01566732
9833652	Total_Formal_Charge	0
5824382	Isotope_Atom_Count	0
83971	Undefined_Bond_Stereo_Count	0
135539077	Rotatable_Bond_Count	7
60753	Structure_Complexity	443
90722224	TPSA	9.2
131737226	Defined_Atom_Stereo_Count	0
81426	Isotope_Atom_Count	0
129754695	Undefined_Atom_Stereo_Count	2
5378708	Undefined_Atom_Stereo_Count	0
21760452	Hydrogen_Bond_Acceptor_Count	3
123966800	Molecular_Weight	111.10
16219580	Mono_Isotopic_Weight	180.06338810
44571098	Hydrogen_Bond_Acceptor_Count	8
429342	Exact_Mass	253.99156
41017	Tautomer_Count	1
161588	Total_Formal_Charge	0
71343994	Structure_Complexity	90.4
56841939	Exact_Mass	420.1928185
53665	Exact_Mass	215.914777
11433190	Structure_Complexity	919
17043	Rotatable_Bond_Count	12
520381	Undefined_Atom_Stereo_Count	6
9486	Defined_Bond_Stereo_Count	0
88901652	Exact_Mass	113.047678466
11829365	Covalent_Unit_Count	1
6917656	Rotatable_Bond_Count	2
639661	Molecular_Weight	84.16
16218739	Molecular_Weight	388.5
11830	Structure_Complexity	202
10149288	Non-hydrogen_Atom_Count	18
10290812	Undefined_Atom_Stereo_Count	0
58196257	Undefined_Bond_Stereo_Count	0
53956489	Covalent_Unit_Count	1
10972	TPSA	66.4
25235992	Undefined_Atom_Stereo_Count	1
14911944	TPSA	29.5
23585071	Undefined_Bond_Stereo_Count	0
13454	Mono_Isotopic_Weight	261.06709375
246206	Non-hydrogen_Atom_Count	21
9942657	Hydrogen_Bond_Acceptor_Count	4
108227	TPSA	90
59301609	Defined_Atom_Stereo_Count	0
85237	Hydrogen_Bond_Donor_Count	1
5319754	Exact_Mass	98.073164938
10143016	TPSA	87.3
3806	Exact_Mass	174.031694049
57390796	Undefined_Bond_Stereo_Count	0
6451148	Hydrogen_Bond_Donor_Count	0
5742590	Tautomer_Count	1
22082546	Non-hydrogen_Atom_Count	7
10493936	Non-hydrogen_Atom_Count	22
49863420	Total_Formal_Charge	1
25015	Defined_Atom_Stereo_Count	4
14675	Structure_Complexity	363
23664054	Molecular_Weight	248.16
446167	TPSA	91.7
162404783	Structure_Complexity	79.1
57750369	Total_Formal_Charge	0
16533	Defined_Bond_Stereo_Count	0
12820525	Non-hydrogen_Atom_Count	7
21885122	Structure_Complexity	228
533427	Molecular_Weight	92.10
412781	Hydrogen_Bond_Acceptor_Count	4
9820073	Total_Formal_Charge	0
31234	Exact_Mass	136.088815002
78373	Undefined_Atom_Stereo_Count	0
5556	Hydrogen_Bond_Donor_Count	0
58881	TPSA	49.8
11205	Molecular_Weight	331.63
13587	Hydrogen_Bond_Donor_Count	0
1365	Structure_Complexity	698
68009	Rotatable_Bond_Count	1
90055716	Non-hydrogen_Atom_Count	36
5464344	Undefined_Atom_Stereo_Count	0
130122746	Non-hydrogen_Atom_Count	8
85939688	XLogP3	5.8
4197	TPSA	65.8
57417192	Hydrogen_Bond_Donor_Count	7
104815	Hydrogen_Bond_Donor_Count	0
13285795	Molecular_Weight	85.10
23678874	Undefined_Bond_Stereo_Count	0
46173365	XLogP3	0.3
278715	Covalent_Unit_Count	1
21501	Hydrogen_Bond_Donor_Count	1
118701498	Mono_Isotopic_Weight	332.23514488
174251	Non-hydrogen_Atom_Count	49
72560	Defined_Bond_Stereo_Count	0
12885796	Defined_Atom_Stereo_Count	0
3048355	Structure_Complexity	432
5368838	TPSA	24.4
68022407	Covalent_Unit_Count	1
70751	Isotope_Atom_Count	0
73437646	Exact_Mass	323.23675420
86851	Molecular_Weight	160.21
12393169	Undefined_Bond_Stereo_Count	0
101946434	Isotope_Atom_Count	0
136582	Undefined_Bond_Stereo_Count	0
134767951	Defined_Atom_Stereo_Count	3
9806063	Non-hydrogen_Atom_Count	34
5311498	Covalent_Unit_Count	3
71277	Isotope_Atom_Count	0
5565	Defined_Atom_Stereo_Count	0
134693124	Isotope_Atom_Count	0
124224930	Undefined_Bond_Stereo_Count	0
45480603	TPSA	158
71226662	Total_Formal_Charge	0
135412609	Undefined_Atom_Stereo_Count	1
32438	Mono_Isotopic_Weight	124.088815002
68764493	Hydrogen_Bond_Donor_Count	1
3230	Mono_Isotopic_Weight	470.33960994
6604009	Non-hydrogen_Atom_Count	29
68809	Tautomer_Count	1
494937	Exact_Mass	345.08082906
54377545	Molecular_Weight	99.13
21651128	Total_Formal_Charge	0
4043	Isotope_Atom_Count	0
102239071	Defined_Bond_Stereo_Count	0
32443	Total_Formal_Charge	0
144459	Molecular_Weight	192.3
138148	Structure_Complexity	55.2
15707	Hydrogen_Bond_Acceptor_Count	0
55284853	Isotope_Atom_Count	0
136498	XLogP3-AA	2
7848	Non-hydrogen_Atom_Count	4
21285	Hydrogen_Bond_Donor_Count	1
17693	Defined_Atom_Stereo_Count	0
62354	Non-hydrogen_Atom_Count	44
91514136	Exact_Mass	100.052429494
72142	Rotatable_Bond_Count	5
28204	Structure_Complexity	578
11930	XLogP3-AA	6.8
34936	Mono_Isotopic_Weight	209.09127461
20708	TPSA	0
18460542	Structure_Complexity	74.6
57395978	Defined_Bond_Stereo_Count	0
154152828	Covalent_Unit_Count	1
9547928	Molecular_Weight	673.9
222549	Defined_Atom_Stereo_Count	4
55329	Non-hydrogen_Atom_Count	19
131676399	Rotatable_Bond_Count	1
9916282	Molecular_Weight	580.7
10784	Hydrogen_Bond_Acceptor_Count	1
19092	Defined_Bond_Stereo_Count	0
524655	Non-hydrogen_Atom_Count	7
53663591	Total_Formal_Charge	0
5460094	Undefined_Atom_Stereo_Count	1
6165447	Mono_Isotopic_Weight	226.03381930
16158207	Exact_Mass	1585.4110510
129669846	Defined_Bond_Stereo_Count	0
12149091	Mono_Isotopic_Weight	556.381749540
66156	Total_Formal_Charge	0
153991111	Undefined_Atom_Stereo_Count	1
30107	XLogP3-AA	4.6
60359	Mono_Isotopic_Weight	449.19844227
22906680	Exact_Mass	109.052763847
69465	Defined_Atom_Stereo_Count	0
6918639	Rotatable_Bond_Count	9
53359023	Undefined_Atom_Stereo_Count	0
5281576	Tautomer_Count	111
71718495	Rotatable_Bond_Count	13
74070	Total_Formal_Charge	0
10975533	Undefined_Bond_Stereo_Count	0
44556162	Hydrogen_Bond_Acceptor_Count	11
7221	Mono_Isotopic_Weight	134.01902136
7098663	Undefined_Bond_Stereo_Count	0
129606990	TPSA	239
2826731	Non-hydrogen_Atom_Count	18
45934213	Hydrogen_Bond_Acceptor_Count	16
7683	Rotatable_Bond_Count	1
664338	XLogP3-AA	4.8
606817	Molecular_Weight	211.13
119086017	Total_Formal_Charge	0
519103	Total_Formal_Charge	0
14280898	Hydrogen_Bond_Donor_Count	2
75184787	Total_Formal_Charge	0
25132952	Rotatable_Bond_Count	4
3036443	Total_Formal_Charge	0
5015	Rotatable_Bond_Count	6
9874875	Structure_Complexity	726
62739	TPSA	65.7
95433	Rotatable_Bond_Count	2
23689036	Hydrogen_Bond_Acceptor_Count	4
53878449	Rotatable_Bond_Count	0
564184	Molecular_Weight	92.10
54686183	Undefined_Atom_Stereo_Count	0
12625720	TPSA	9.2
10898675	Exact_Mass	112.052429494
17754081	Hydrogen_Bond_Donor_Count	4
11549937	Rotatable_Bond_Count	9
551	Rotatable_Bond_Count	4
14020433	Total_Formal_Charge	0
24901285	TPSA	119
199605	Mono_Isotopic_Weight	187.136099547
55287377	Structure_Complexity	94.4
135537958	Undefined_Atom_Stereo_Count	0
80428	Isotope_Atom_Count	0
10844367	Defined_Atom_Stereo_Count	0
70240	Hydrogen_Bond_Acceptor_Count	5
88984133	Total_Formal_Charge	0
13772685	Undefined_Bond_Stereo_Count	0
73697	Mono_Isotopic_Weight	204.043596145
14355861	Isotope_Atom_Count	0
6554040	Defined_Atom_Stereo_Count	3
77781	Mono_Isotopic_Weight	206.06128010
5355858	Tautomer_Count	1
46173802	Non-hydrogen_Atom_Count	36
82191	Defined_Atom_Stereo_Count	0
136843	Hydrogen_Bond_Acceptor_Count	2
498650	Total_Formal_Charge	0
22832	Rotatable_Bond_Count	10
227112	TPSA	74.6
7614	Tautomer_Count	2
1150567	TPSA	38.8
15079262	Hydrogen_Bond_Acceptor_Count	3
443118	Total_Formal_Charge	0
159652940	Non-hydrogen_Atom_Count	6
5360487	Defined_Bond_Stereo_Count	0
2781329	Isotope_Atom_Count	0
75779	Molecular_Weight	452.8
53380818	Rotatable_Bond_Count	5
69480	Rotatable_Bond_Count	4
5281718	Structure_Complexity	506
13698	Isotope_Atom_Count	0
60452	Molecular_Weight	338.4
1311	Undefined_Bond_Stereo_Count	0
71457280	Tautomer_Count	32
11326613	Hydrogen_Bond_Acceptor_Count	4
89283371	Undefined_Atom_Stereo_Count	0
70339927	Non-hydrogen_Atom_Count	6
9984374	Structure_Complexity	1010
527031	Hydrogen_Bond_Donor_Count	0
10976469	Hydrogen_Bond_Donor_Count	4
441242	Isotope_Atom_Count	0
14869	Structure_Complexity	266
8400	Defined_Bond_Stereo_Count	0
71713950	Defined_Bond_Stereo_Count	0
2736256	Total_Formal_Charge	0
44563145	Mono_Isotopic_Weight	382.19173754
135524781	Covalent_Unit_Count	5
601293	Rotatable_Bond_Count	1
3039	Structure_Complexity	181
5281042	Structure_Complexity	1550
58230405	TPSA	151
135442941	Covalent_Unit_Count	2
3681	Hydrogen_Bond_Donor_Count	2
11779786	Molecular_Weight	304.29
320263	XLogP3-AA	3.3
138319688	Undefined_Bond_Stereo_Count	0
101656013	XLogP3-AA	4.5
67614074	TPSA	44.2
69332494	Undefined_Atom_Stereo_Count	0
73549	Defined_Atom_Stereo_Count	0
162649852	Hydrogen_Bond_Acceptor_Count	27
13662	Total_Formal_Charge	0
15973	Mono_Isotopic_Weight	357.11134135
7904	Covalent_Unit_Count	1
4735	Exact_Mass	340.18992602
70240	Undefined_Bond_Stereo_Count	0
452977	Hydrogen_Bond_Acceptor_Count	5
124946	TPSA	46.6
22404995	Isotope_Atom_Count	0
6917852	Molecular_Weight	663.6
157350	Hydrogen_Bond_Donor_Count	1
7774	Molecular_Weight	228.28
90477400	Non-hydrogen_Atom_Count	18
32091	Isotope_Atom_Count	0
9934032	Non-hydrogen_Atom_Count	32
5372813	Rotatable_Bond_Count	2
43215	Isotope_Atom_Count	0
2318	Undefined_Bond_Stereo_Count	0
2513	Molecular_Weight	138.00
1951	Molecular_Weight	564.5
26428	Isotope_Atom_Count	0
1437819	Covalent_Unit_Count	1
16659836	Isotope_Atom_Count	0
11319223	Structure_Complexity	691
15998	Hydrogen_Bond_Acceptor_Count	3
12548640	Rotatable_Bond_Count	2
84036	Structure_Complexity	1510
13436	Exact_Mass	218.02239267
61574	Hydrogen_Bond_Acceptor_Count	3
733076	Structure_Complexity	393
91822	Exact_Mass	235.2066777
638088	Defined_Bond_Stereo_Count	1
73174	Hydrogen_Bond_Acceptor_Count	2
129689816	Defined_Bond_Stereo_Count	0
71242808	Total_Formal_Charge	0
59600546	XLogP3-AA	0.8
72070	Tautomer_Count	1
87833	Covalent_Unit_Count	1
21692	Defined_Atom_Stereo_Count	2
74889149	Defined_Atom_Stereo_Count	0
10226045	Structure_Complexity	730
5169	TPSA	61.8
163090691	Mono_Isotopic_Weight	842.51400504
61503	Defined_Atom_Stereo_Count	1
60196329	Hydrogen_Bond_Acceptor_Count	6
6413	Hydrogen_Bond_Donor_Count	0
12347357	Undefined_Bond_Stereo_Count	0
16323	Hydrogen_Bond_Donor_Count	0
300	Defined_Bond_Stereo_Count	0
5776	Defined_Bond_Stereo_Count	0
115087054	Total_Formal_Charge	0
71916	TPSA	78.8
135458645	Undefined_Bond_Stereo_Count	3
476260	XLogP3-AA	3.2
3034319	Rotatable_Bond_Count	1
839431	Isotope_Atom_Count	0
86308574	Undefined_Bond_Stereo_Count	0
7116	Tautomer_Count	1
135565932	Undefined_Bond_Stereo_Count	0
74190	Non-hydrogen_Atom_Count	7
239	Structure_Complexity	52.8
9989	Hydrogen_Bond_Donor_Count	1
601293	XLogP3	2.9
156580566	Undefined_Atom_Stereo_Count	0
64992139	Total_Formal_Charge	0
44450793	Isotope_Atom_Count	0
91585	Undefined_Atom_Stereo_Count	1
7941	Isotope_Atom_Count	0
157955	Defined_Bond_Stereo_Count	0
699222	TPSA	77
10466948	Total_Formal_Charge	0
23238238	TPSA	168
6918493	Undefined_Atom_Stereo_Count	0
73949	Hydrogen_Bond_Donor_Count	1
5311053	Undefined_Atom_Stereo_Count	0
1102	Structure_Complexity	56.8
135398654	Hydrogen_Bond_Acceptor_Count	6
57057991	Molecular_Weight	116.11
2572037	XLogP3-AA	3.3
87237616	Mono_Isotopic_Weight	836.79854718
91649	Undefined_Bond_Stereo_Count	0
31191	Molecular_Weight	129.16
6539003	Hydrogen_Bond_Donor_Count	3
5460263	Undefined_Bond_Stereo_Count	0
57465	Total_Formal_Charge	1
6850813	Exact_Mass	255.162314293
78601	Hydrogen_Bond_Donor_Count	0
67979	Non-hydrogen_Atom_Count	11
53631526	Undefined_Bond_Stereo_Count	0
36879	Exact_Mass	190.07759887
2284	Structure_Complexity	191
14815775	Exact_Mass	111.068413911
120081	Non-hydrogen_Atom_Count	16
74236	Mono_Isotopic_Weight	321.20311
12236939	Structure_Complexity	74.1
90766	TPSA	21.3
23409	Hydrogen_Bond_Donor_Count	1
21895931	Covalent_Unit_Count	1
167085	Rotatable_Bond_Count	0
25058186	Defined_Bond_Stereo_Count	0
23690449	Hydrogen_Bond_Acceptor_Count	6
50397	Hydrogen_Bond_Donor_Count	1
3671	Structure_Complexity	288
22967022	Defined_Bond_Stereo_Count	0
36900	Hydrogen_Bond_Acceptor_Count	3
77038	Rotatable_Bond_Count	4
671175	Structure_Complexity	402
12243027	Undefined_Bond_Stereo_Count	0
216293	Molecular_Weight	812.4
13170	Structure_Complexity	254
123133978	Defined_Atom_Stereo_Count	8
17739	Mono_Isotopic_Weight	166.099379685
23681107	Molecular_Weight	325.12
140789	Undefined_Atom_Stereo_Count	0
5368831	Molecular_Weight	138.16
7848	Exact_Mass	76.03467143
101609	Defined_Atom_Stereo_Count	4
101248703	Hydrogen_Bond_Acceptor_Count	7
71825	Hydrogen_Bond_Donor_Count	1
53245646	XLogP3-AA	3.1
73101855	Rotatable_Bond_Count	11
200424	Undefined_Atom_Stereo_Count	0
91713	Covalent_Unit_Count	1
123840	Defined_Atom_Stereo_Count	0
25184541	Total_Formal_Charge	0
21847	Mono_Isotopic_Weight	362.199428076
11976366	Mono_Isotopic_Weight	334.14814140
13516401	Defined_Atom_Stereo_Count	0
1548898	Rotatable_Bond_Count	1
9883002	Molecular_Weight	306.4
88547603	Hydrogen_Bond_Donor_Count	5
166754	Tautomer_Count	4
5003	Undefined_Atom_Stereo_Count	0
3001860	Covalent_Unit_Count	1
63650	Exact_Mass	603.16337
21997268	Isotope_Atom_Count	0
129890070	Hydrogen_Bond_Donor_Count	0
24214097	Hydrogen_Bond_Acceptor_Count	4
135491728	Molecular_Weight	359.9
77009	Structure_Complexity	176
51055169	Hydrogen_Bond_Donor_Count	3
12997	Tautomer_Count	1
14417	Non-hydrogen_Atom_Count	26
444005	Rotatable_Bond_Count	14
25008249	Rotatable_Bond_Count	8
28620	Isotope_Atom_Count	0
170317	Non-hydrogen_Atom_Count	23
501640	Defined_Bond_Stereo_Count	0
887824	Rotatable_Bond_Count	3
1877	Rotatable_Bond_Count	16
71713950	Isotope_Atom_Count	0
59325013	Structure_Complexity	88.1
731747	Hydrogen_Bond_Donor_Count	2
92283	Non-hydrogen_Atom_Count	12
139057938	Defined_Atom_Stereo_Count	0
57625	Covalent_Unit_Count	3
82464	Isotope_Atom_Count	0
2724290	Hydrogen_Bond_Donor_Count	2
70540665	Defined_Atom_Stereo_Count	0
115366	Mono_Isotopic_Weight	419.0264073
11263727	Isotope_Atom_Count	0
10214	Tautomer_Count	3
94330	Undefined_Atom_Stereo_Count	0
62816	Non-hydrogen_Atom_Count	18
105130	Rotatable_Bond_Count	0
1024	Molecular_Weight	330.21
18831	Mono_Isotopic_Weight	145.0155228
3505109	Hydrogen_Bond_Donor_Count	2
65064	Total_Formal_Charge	0
62580	Undefined_Atom_Stereo_Count	0
23665647	Mono_Isotopic_Weight	112.02904639
6996	Hydrogen_Bond_Donor_Count	0
2723877	Total_Formal_Charge	0
6195	Tautomer_Count	1
138975	Molecular_Weight	194.19
80542	Undefined_Bond_Stereo_Count	0
441071	Tautomer_Count	2
7067772	TPSA	152
9461	Covalent_Unit_Count	1
3257	Hydrogen_Bond_Acceptor_Count	13
523048	Hydrogen_Bond_Donor_Count	0
59018485	Total_Formal_Charge	0
319701	XLogP3-AA	0.9
24899382	Covalent_Unit_Count	1
13684986	Molecular_Weight	99.13
69497	Covalent_Unit_Count	1
88402732	Total_Formal_Charge	0
5354133	Mono_Isotopic_Weight	312.26644501
13316167	Non-hydrogen_Atom_Count	11
19846	Structure_Complexity	52.5
123452974	XLogP3-AA	1.2
135399748	Defined_Bond_Stereo_Count	0
5289295	Isotope_Atom_Count	0
3327	Undefined_Atom_Stereo_Count	0
11843834	Undefined_Atom_Stereo_Count	0
85495	Undefined_Bond_Stereo_Count	0
54760134	Structure_Complexity	683
12210512	Total_Formal_Charge	0
12774540	Covalent_Unit_Count	1
146156882	Undefined_Bond_Stereo_Count	0
25015692	Hydrogen_Bond_Acceptor_Count	9
77077	Molecular_Weight	176.66
5140	Molecular_Weight	392.5
19078026	Undefined_Bond_Stereo_Count	0
5283324	Total_Formal_Charge	0
130032075	XLogP3-AA	0.8
44394119	Mono_Isotopic_Weight	599.23778211
45408	Isotope_Atom_Count	0
10343454	Non-hydrogen_Atom_Count	30
68162	Tautomer_Count	1
14517	Hydrogen_Bond_Donor_Count	0
3662392	Undefined_Atom_Stereo_Count	0
545268	TPSA	12.5
67239	Undefined_Atom_Stereo_Count	0
13380150	Molecular_Weight	114.19
17242	Rotatable_Bond_Count	9
11389356	Hydrogen_Bond_Donor_Count	0
70337	Defined_Atom_Stereo_Count	0
110821	Total_Formal_Charge	0
12734620	Molecular_Weight	126.20
601577	Hydrogen_Bond_Acceptor_Count	2
449107	Covalent_Unit_Count	1
38127	Structure_Complexity	545
5035	TPSA	98.2
18357	Mono_Isotopic_Weight	195.068413911
643835	Hydrogen_Bond_Donor_Count	0
5440	Total_Formal_Charge	0
28803	Molecular_Weight	302.32
10430450	Structure_Complexity	566
398635	XLogP3-AA	5
92775	Molecular_Weight	272.25
130659	Hydrogen_Bond_Acceptor_Count	15
74764517	Structure_Complexity	537
70690020	Exact_Mass	417.21647512
194674	Hydrogen_Bond_Acceptor_Count	4
9445	Structure_Complexity	186
8711	Molecular_Weight	111.10
23483	Tautomer_Count	1
98043898	Mono_Isotopic_Weight	416.32904526
12933763	Structure_Complexity	128
675239	Undefined_Atom_Stereo_Count	0
20591	Exact_Mass	151.063328530
68356363	Covalent_Unit_Count	1
135436520	Covalent_Unit_Count	2
101875160	Molecular_Weight	99.13
86277430	TPSA	86
160666	Undefined_Atom_Stereo_Count	0
139355316	Exact_Mass	342.11621151
80487728	Molecular_Weight	114.11
72200850	XLogP3-AA	4.6
135513267	Undefined_Bond_Stereo_Count	0
135564890	Undefined_Atom_Stereo_Count	0
91348407	Covalent_Unit_Count	1
11957521	Defined_Atom_Stereo_Count	6
114853	Non-hydrogen_Atom_Count	1
12562238	Rotatable_Bond_Count	2
59296073	TPSA	111
439839	Isotope_Atom_Count	0
172309	Molecular_Weight	304.31
46233311	Rotatable_Bond_Count	8
58376816	Defined_Bond_Stereo_Count	0
136266076	Covalent_Unit_Count	1
72800595	Molecular_Weight	114.14
5311360	XLogP3	5.9
4289	Covalent_Unit_Count	1
2087	Total_Formal_Charge	0
23680530	Tautomer_Count	6
54338696	Undefined_Bond_Stereo_Count	1
439352	TPSA	42.5
448372	Covalent_Unit_Count	1
66733	Defined_Bond_Stereo_Count	0
22500965	Molecular_Weight	138.17
107526	TPSA	118
12358373	XLogP3-AA	0.9
57031835	Hydrogen_Bond_Acceptor_Count	1
7985	Non-hydrogen_Atom_Count	25
163962080	XLogP3-AA	0.2
10866290	Hydrogen_Bond_Donor_Count	0
4202286	Non-hydrogen_Atom_Count	50
216416	Exact_Mass	413.235479232
132263855	Exact_Mass	342.11621151
129721137	Isotope_Atom_Count	0
135423770	Total_Formal_Charge	0
12977	Isotope_Atom_Count	0
12494974	Hydrogen_Bond_Acceptor_Count	2
13330488	Molecular_Weight	84.12
54429344	Undefined_Bond_Stereo_Count	0
36582	Hydrogen_Bond_Donor_Count	0
693959	XLogP3-AA	2.9
92139	Non-hydrogen_Atom_Count	15
14143179	XLogP3-AA	0.5
23615430	Hydrogen_Bond_Acceptor_Count	5
23160059	Tautomer_Count	1
49858377	Structure_Complexity	566
11076461	Non-hydrogen_Atom_Count	11
77129	Structure_Complexity	46.8
19385693	Exact_Mass	107.048347172
450601	Undefined_Atom_Stereo_Count	0
52948843	Structure_Complexity	429
10444160	Mono_Isotopic_Weight	237.10010796
45488107	Structure_Complexity	722
95652	Undefined_Atom_Stereo_Count	1
114751	Tautomer_Count	3
164511668	Molecular_Weight	230.22
54726192	Non-hydrogen_Atom_Count	40
73082918	Hydrogen_Bond_Donor_Count	3
55285439	Rotatable_Bond_Count	0
56643412	Undefined_Atom_Stereo_Count	0
37901	Defined_Atom_Stereo_Count	0
51380890	Defined_Atom_Stereo_Count	0
1794427	Structure_Complexity	534
54581861	Rotatable_Bond_Count	6
2737408	Undefined_Atom_Stereo_Count	0
5765	Molecular_Weight	191.01
30858	Undefined_Bond_Stereo_Count	0
26880	Covalent_Unit_Count	1
131704481	Structure_Complexity	1290
131451246	Non-hydrogen_Atom_Count	7
9794712	Rotatable_Bond_Count	6
3033151	Rotatable_Bond_Count	6
71622	Structure_Complexity	612
101808860	TPSA	20.2
23521244	Hydrogen_Bond_Acceptor_Count	0
118701617	Defined_Atom_Stereo_Count	11
54676539	Structure_Complexity	1040
21908476	Hydrogen_Bond_Donor_Count	1
5311054	Mono_Isotopic_Weight	1154.74992724
130271321	XLogP3-AA	0.8
45358511	Molecular_Weight	620.6
74735	Undefined_Atom_Stereo_Count	0
66707439	Exact_Mass	166.01268994
20387237	Undefined_Bond_Stereo_Count	0
9906028	Defined_Atom_Stereo_Count	1
53678373	Rotatable_Bond_Count	0
274075	TPSA	58.1
10256440	Hydrogen_Bond_Acceptor_Count	9
15939	Mono_Isotopic_Weight	186.115698455
21049457	Defined_Bond_Stereo_Count	0
69341050	Defined_Atom_Stereo_Count	0
22833341	Rotatable_Bond_Count	17
162817	Molecular_Weight	280.4
540877	Undefined_Atom_Stereo_Count	6
24892775	Exact_Mass	530.07027744
5496862	TPSA	117
16217359	Defined_Atom_Stereo_Count	0
23983765	Structure_Complexity	191
1550489	Non-hydrogen_Atom_Count	7
985126	Covalent_Unit_Count	1
6642	Molecular_Weight	214.28
12456	Covalent_Unit_Count	2
9829639	Rotatable_Bond_Count	4
11886769	Covalent_Unit_Count	1
5361467	Non-hydrogen_Atom_Count	35
925739	Hydrogen_Bond_Acceptor_Count	4
76981	Undefined_Bond_Stereo_Count	0
19919	Mono_Isotopic_Weight	102.068079557
2405	Isotope_Atom_Count	0
638071	Undefined_Atom_Stereo_Count	0
1150344	Covalent_Unit_Count	1
76121	Non-hydrogen_Atom_Count	6
603946	Hydrogen_Bond_Acceptor_Count	3
54076653	Undefined_Bond_Stereo_Count	0
657073	Defined_Bond_Stereo_Count	0
9245	Non-hydrogen_Atom_Count	7
4538	Non-hydrogen_Atom_Count	11
44404716	Exact_Mass	543.25556322
637668	Mono_Isotopic_Weight	178.062994177
49427	Defined_Bond_Stereo_Count	0
67236	Mono_Isotopic_Weight	264.078644241
10953453	Non-hydrogen_Atom_Count	8
528856	Exact_Mass	196.04141403
10709065	Undefined_Bond_Stereo_Count	0
593379	Defined_Bond_Stereo_Count	0
25011	TPSA	18.5
8275	Defined_Bond_Stereo_Count	0
53422654	Total_Formal_Charge	0
16212081	TPSA	59.4
9817917	Covalent_Unit_Count	1
224243	Defined_Bond_Stereo_Count	0
13611196	XLogP3-AA	2.1
76035516	Exact_Mass	409.215412493
14453684	Exact_Mass	100.088815002
24901143	Undefined_Bond_Stereo_Count	0
125127453	Rotatable_Bond_Count	3
18366133	Isotope_Atom_Count	0
53627718	Exact_Mass	109.089149355
4914	Hydrogen_Bond_Acceptor_Count	4
4136	Covalent_Unit_Count	1
56955285	Hydrogen_Bond_Donor_Count	1
49852291	Hydrogen_Bond_Acceptor_Count	6
85829	Defined_Bond_Stereo_Count	0
15737685	Hydrogen_Bond_Donor_Count	0
11658655	XLogP3-AA	3
131170	Defined_Bond_Stereo_Count	0
13787747	Covalent_Unit_Count	3
517296	Total_Formal_Charge	0
5281706	Undefined_Bond_Stereo_Count	0
72142	Hydrogen_Bond_Acceptor_Count	4
7015191	Covalent_Unit_Count	1
398743	Defined_Bond_Stereo_Count	0
5283338	Defined_Bond_Stereo_Count	1
11988	Isotope_Atom_Count	0
12302695	Isotope_Atom_Count	0
68216	Non-hydrogen_Atom_Count	16
11789141	Total_Formal_Charge	0
16395512	Non-hydrogen_Atom_Count	58
17736	Undefined_Atom_Stereo_Count	0
3476986	Hydrogen_Bond_Donor_Count	1
13075	Mono_Isotopic_Weight	240.11817103
10203245	Hydrogen_Bond_Acceptor_Count	9
60196420	Rotatable_Bond_Count	0
67850	Structure_Complexity	134
89332529	Exact_Mass	180.06338810
23647685	TPSA	186
25171665	Hydrogen_Bond_Acceptor_Count	9
21998683	XLogP3-AA	0.7
66369	Tautomer_Count	1
65453	TPSA	214
57478179	Undefined_Bond_Stereo_Count	0
53317813	Rotatable_Bond_Count	6
688400	Undefined_Atom_Stereo_Count	0
10027781	Hydrogen_Bond_Donor_Count	4
62857	Molecular_Weight	345.8
22055193	Total_Formal_Charge	0
77721	Structure_Complexity	297
84098	Defined_Atom_Stereo_Count	0
119828	Undefined_Atom_Stereo_Count	0
338812	Isotope_Atom_Count	0
118856278	Undefined_Bond_Stereo_Count	0
159952	Defined_Bond_Stereo_Count	0
14040	Defined_Atom_Stereo_Count	0
15209807	Undefined_Bond_Stereo_Count	0
23247721	XLogP3-AA	2.7
54292763	Mono_Isotopic_Weight	102.068079557
6853	Hydrogen_Bond_Acceptor_Count	0
68365444	Hydrogen_Bond_Acceptor_Count	2
20653	TPSA	37.3
54688683	Molecular_Weight	626.7
126994353	Isotope_Atom_Count	0
45116616	Hydrogen_Bond_Acceptor_Count	2
31982	XLogP3-AA	2
58247618	Covalent_Unit_Count	1
4356	Hydrogen_Bond_Acceptor_Count	6
124427925	Covalent_Unit_Count	1
7817	Structure_Complexity	116
54688694	Tautomer_Count	288
2724682	Isotope_Atom_Count	0
643798	Non-hydrogen_Atom_Count	9
263077	Total_Formal_Charge	0
22061626	Covalent_Unit_Count	1
398729	Total_Formal_Charge	0
57114132	Isotope_Atom_Count	0
154724068	Hydrogen_Bond_Acceptor_Count	6
8706	XLogP3	1.9
5310957	Total_Formal_Charge	0
21868524	Isotope_Atom_Count	0
114864	Tautomer_Count	13
411580	Covalent_Unit_Count	1
123451	Total_Formal_Charge	0
122449120	Rotatable_Bond_Count	0
12938	Rotatable_Bond_Count	3
138961	Covalent_Unit_Count	1
20387201	TPSA	3
10493732	Rotatable_Bond_Count	9
10394740	Structure_Complexity	1150
56955933	Hydrogen_Bond_Donor_Count	0
3014955	Defined_Bond_Stereo_Count	0
101094784	Mono_Isotopic_Weight	384.19367399
208916	Mono_Isotopic_Weight	189.151749610
19665	Total_Formal_Charge	0
11114	Isotope_Atom_Count	0
36816	Undefined_Bond_Stereo_Count	0
134688015	Defined_Atom_Stereo_Count	0
2723949	TPSA	58.1
171075	Isotope_Atom_Count	0
3255344	Mono_Isotopic_Weight	354.255880323
62306	Molecular_Weight	260.11
23347	Undefined_Bond_Stereo_Count	0
58880543	Undefined_Bond_Stereo_Count	0
123628	Total_Formal_Charge	0
33919	Structure_Complexity	414
135421876	Mono_Isotopic_Weight	137.03375974
10243599	Defined_Bond_Stereo_Count	0
20379467	Structure_Complexity	81.8
131878633	Covalent_Unit_Count	1
108046	Molecular_Weight	348.4
23666110	Structure_Complexity	408
5359367	Undefined_Atom_Stereo_Count	0
84598	Exact_Mass	815.4704
13058233	Isotope_Atom_Count	0
7851	Hydrogen_Bond_Acceptor_Count	1
138059757	Defined_Atom_Stereo_Count	8
10953453	Defined_Atom_Stereo_Count	0
131852189	Structure_Complexity	303
98181817	Isotope_Atom_Count	0
688009	Isotope_Atom_Count	0
6645	Non-hydrogen_Atom_Count	12
66950	Defined_Atom_Stereo_Count	0
5280581	Undefined_Bond_Stereo_Count	0
3037705	Mono_Isotopic_Weight	302.224580195
12521030	Exact_Mass	223.98509127
5280490	Undefined_Bond_Stereo_Count	0
7677	Defined_Bond_Stereo_Count	0
71840	Undefined_Atom_Stereo_Count	0
220861	Mono_Isotopic_Weight	710.35135639
77405	Covalent_Unit_Count	1
38018	Hydrogen_Bond_Acceptor_Count	0
11988286	Covalent_Unit_Count	1
76127	Mono_Isotopic_Weight	226.01350
11804674	Mono_Isotopic_Weight	82.041864811
6016	Covalent_Unit_Count	1
91635	Non-hydrogen_Atom_Count	18
60751	Covalent_Unit_Count	1
91163310	Hydrogen_Bond_Donor_Count	0
108675	TPSA	0
9855081	Total_Formal_Charge	0
78236	Isotope_Atom_Count	0
2366	Mono_Isotopic_Weight	136.100048391
11398	Total_Formal_Charge	0
54682536	Rotatable_Bond_Count	4
20312691	Hydrogen_Bond_Acceptor_Count	3
155294764	Rotatable_Bond_Count	14
23675747	Undefined_Bond_Stereo_Count	0
170295	Tautomer_Count	1
49750	Hydrogen_Bond_Donor_Count	1
25780	Undefined_Atom_Stereo_Count	0
10781	Structure_Complexity	274
79117672	Mono_Isotopic_Weight	111.068413911
593919	Non-hydrogen_Atom_Count	10
22314	Molecular_Weight	382.6
43962	Undefined_Atom_Stereo_Count	0
657237	Mono_Isotopic_Weight	285.08733204
4442	Undefined_Bond_Stereo_Count	0
57410	Molecular_Weight	436.14
135410916	Hydrogen_Bond_Donor_Count	1
17559	TPSA	205
71469	Defined_Atom_Stereo_Count	27
13652343	Defined_Bond_Stereo_Count	0
13349549	Defined_Atom_Stereo_Count	0
131428459	Mono_Isotopic_Weight	97.052763847
62669683	Defined_Atom_Stereo_Count	0
22227528	Defined_Atom_Stereo_Count	0
12592	Molecular_Weight	338.7
4224596	Defined_Bond_Stereo_Count	0
24946456	Non-hydrogen_Atom_Count	30
62875	Tautomer_Count	1
5479527	Defined_Atom_Stereo_Count	2
69462477	Structure_Complexity	76.8
28467	TPSA	86.8
97868	Hydrogen_Bond_Donor_Count	2
11803	Total_Formal_Charge	0
6171	TPSA	70.4
276224	Structure_Complexity	77.7
122356	TPSA	55.1
18509075	Undefined_Bond_Stereo_Count	0
15559221	Defined_Bond_Stereo_Count	0
60966	Exact_Mass	91.099714038
12487261	Defined_Bond_Stereo_Count	0
75312	Molecular_Weight	259.43
12346042	Structure_Complexity	43.7
13460228	Isotope_Atom_Count	0
162291	TPSA	52.6
75055	Defined_Atom_Stereo_Count	0
66906036	Total_Formal_Charge	0
2468	Exact_Mass	157.13274550
5505	TPSA	83.6
5684	Defined_Atom_Stereo_Count	0
56840904	Non-hydrogen_Atom_Count	29
53773588	Isotope_Atom_Count	0
7407	Total_Formal_Charge	0
16028	XLogP3-AA	5.3
439791	Undefined_Bond_Stereo_Count	0
9552077	Covalent_Unit_Count	7
21595393	Hydrogen_Bond_Donor_Count	1
12004215	TPSA	487
41506	Tautomer_Count	1
7274	Tautomer_Count	1
20542700	Structure_Complexity	112
90825254	Non-hydrogen_Atom_Count	25
53677339	Defined_Bond_Stereo_Count	0
77084	Molecular_Weight	188.34
17820198	Defined_Bond_Stereo_Count	0
91501507	Isotope_Atom_Count	0
40466858	Hydrogen_Bond_Donor_Count	1
13191	Isotope_Atom_Count	0
30020	Isotope_Atom_Count	0
77016	Hydrogen_Bond_Acceptor_Count	4
688015	Non-hydrogen_Atom_Count	17
16847	Structure_Complexity	496
62546	Structure_Complexity	361
15786916	Molecular_Weight	60.03
223579	Defined_Bond_Stereo_Count	0
23389448	Isotope_Atom_Count	0
49866692	Exact_Mass	293.1294900
21942786	Hydrogen_Bond_Donor_Count	1
701542	Undefined_Atom_Stereo_Count	0
441383	Rotatable_Bond_Count	8
70297750	Undefined_Atom_Stereo_Count	1
44418576	Structure_Complexity	346
71515466	Rotatable_Bond_Count	36
31257	Total_Formal_Charge	0
16760159	Defined_Bond_Stereo_Count	0
3776	Hydrogen_Bond_Donor_Count	1
53678561	Undefined_Atom_Stereo_Count	0
74789	TPSA	77.3
569599	TPSA	79.5
146256	Undefined_Atom_Stereo_Count	1
207292	Undefined_Bond_Stereo_Count	0
239071	Exact_Mass	252.08585488
102492967	Rotatable_Bond_Count	6
85538179	Undefined_Atom_Stereo_Count	0
10964421	XLogP3	1.6
6067	Defined_Bond_Stereo_Count	0
79224	Defined_Bond_Stereo_Count	0
136253316	Total_Formal_Charge	1
49993	Hydrogen_Bond_Donor_Count	0
2394	Exact_Mass	1156.40524244
15266968	Tautomer_Count	1
703047	Total_Formal_Charge	0
54585373	TPSA	87.6
6435335	Non-hydrogen_Atom_Count	30
409347	Rotatable_Bond_Count	7
57303	Tautomer_Count	2
53798643	Isotope_Atom_Count	0
5352624	Rotatable_Bond_Count	4
58091261	TPSA	20.1
12201322	Covalent_Unit_Count	2
10329304	Hydrogen_Bond_Acceptor_Count	2
131954673	Exact_Mass	1254.62847470
7156899	Mono_Isotopic_Weight	342.11621151
101008927	Hydrogen_Bond_Acceptor_Count	2
6918178	Hydrogen_Bond_Acceptor_Count	7
11586912	Rotatable_Bond_Count	4
21769	Isotope_Atom_Count	0
10578	Defined_Atom_Stereo_Count	0
40469210	Mono_Isotopic_Weight	384.07215933
25244048	Exact_Mass	139.063328530
70752	Rotatable_Bond_Count	1
5307	Hydrogen_Bond_Donor_Count	3
24977223	Structure_Complexity	124
123347340	Hydrogen_Bond_Donor_Count	0
146767	XLogP3-AA	1.6
98397	XLogP3-AA	3.5
24873157	Defined_Atom_Stereo_Count	0
950480	Undefined_Atom_Stereo_Count	0
67000	Structure_Complexity	212
22170247	Isotope_Atom_Count	0
16639	Hydrogen_Bond_Acceptor_Count	2
398652	Molecular_Weight	429.5
2723787	Rotatable_Bond_Count	0
21100	Total_Formal_Charge	0
155032	Rotatable_Bond_Count	8
53870	Non-hydrogen_Atom_Count	18
3195	Molecular_Weight	294.4
44338763	Defined_Bond_Stereo_Count	0
290223	Mono_Isotopic_Weight	196.06703418
21312677	Defined_Bond_Stereo_Count	0
12124	Defined_Atom_Stereo_Count	0
11635763	Undefined_Atom_Stereo_Count	1
24884255	Isotope_Atom_Count	0
5483624	Defined_Bond_Stereo_Count	0
71713951	TPSA	106
4847	Hydrogen_Bond_Donor_Count	0
43833377	Rotatable_Bond_Count	0
711	TPSA	201
69462477	Defined_Atom_Stereo_Count	0
20607	Mono_Isotopic_Weight	183.162314293
131254	Structure_Complexity	729
53839028	Non-hydrogen_Atom_Count	7
12865500	Non-hydrogen_Atom_Count	8
108046	Covalent_Unit_Count	1
24868287	Covalent_Unit_Count	6
2724564	Total_Formal_Charge	0
45358014	Total_Formal_Charge	0
77338	Undefined_Atom_Stereo_Count	0
11284169	Exact_Mass	543.26545920
23729666	Hydrogen_Bond_Acceptor_Count	2
4594	Hydrogen_Bond_Acceptor_Count	6
91280177	Mono_Isotopic_Weight	110.109550447
285366	Total_Formal_Charge	0
638178	Covalent_Unit_Count	2
91845299	Non-hydrogen_Atom_Count	23
644241	Hydrogen_Bond_Donor_Count	2
89178	Defined_Bond_Stereo_Count	0
9947	Undefined_Atom_Stereo_Count	0
656954	Exact_Mass	271.06447134
82050	Non-hydrogen_Atom_Count	2
68891	Molecular_Weight	409.7
10986159	Defined_Atom_Stereo_Count	0
26651	Defined_Bond_Stereo_Count	0
738681	Undefined_Atom_Stereo_Count	0
70691154	XLogP3-AA	3.3
25608	Tautomer_Count	1
13900354	Hydrogen_Bond_Acceptor_Count	1
2520	Mono_Isotopic_Weight	454.28315770
22948535	Hydrogen_Bond_Donor_Count	0
146158693	TPSA	58.9
269	Isotope_Atom_Count	0
19962939	Undefined_Atom_Stereo_Count	0
7963	Structure_Complexity	46.1
89651175	Defined_Bond_Stereo_Count	0
9805635	Mono_Isotopic_Weight	491.23212518
78236	Non-hydrogen_Atom_Count	10
362	Rotatable_Bond_Count	0
60152109	Molecular_Weight	691.0
135515574	Defined_Atom_Stereo_Count	0
18759351	Undefined_Bond_Stereo_Count	0
71449805	TPSA	58.7
21390696	TPSA	49.8
23675737	Tautomer_Count	4
16141	Undefined_Bond_Stereo_Count	0
24199050	Covalent_Unit_Count	1
152306	Total_Formal_Charge	0
5086465	XLogP3-AA	0.8
494123	Hydrogen_Bond_Acceptor_Count	1
191014	Undefined_Bond_Stereo_Count	0
66251	Tautomer_Count	1
25014844	Defined_Atom_Stereo_Count	0
18542136	Structure_Complexity	488
118098295	Undefined_Atom_Stereo_Count	4
92044408	Mono_Isotopic_Weight	1525.3899216
6386307	Undefined_Bond_Stereo_Count	0
19933060	TPSA	34.1
65659	XLogP3-AA	1.8
22475863	Non-hydrogen_Atom_Count	7
18974460	Total_Formal_Charge	0
5414	Mono_Isotopic_Weight	306.24062418
91185266	Mono_Isotopic_Weight	114.068079557
85610	TPSA	37.5
9378	Mono_Isotopic_Weight	182.05790880
62309	Defined_Bond_Stereo_Count	0
15148131	Defined_Bond_Stereo_Count	0
24561	Molecular_Weight	143.32
84081255	Non-hydrogen_Atom_Count	8
93227	Molecular_Weight	269.2
163050679	Non-hydrogen_Atom_Count	20
13382	Total_Formal_Charge	0
93162	Defined_Bond_Stereo_Count	0
1946	Undefined_Atom_Stereo_Count	0
135398510	Tautomer_Count	36
524894	Defined_Bond_Stereo_Count	0
4126474	Defined_Atom_Stereo_Count	0
80676	Hydrogen_Bond_Acceptor_Count	2
12018	Tautomer_Count	1
8073	Non-hydrogen_Atom_Count	6
21311941	Defined_Bond_Stereo_Count	0
176166	Defined_Atom_Stereo_Count	0
118	Molecular_Weight	87.12
6507267	Total_Formal_Charge	0
444008	Exact_Mass	312.208930132
74440	Defined_Bond_Stereo_Count	0
126624267	Defined_Atom_Stereo_Count	1
99025	Mono_Isotopic_Weight	228.0454260
54726191	Defined_Bond_Stereo_Count	0
3081077	Exact_Mass	392.118897
15144	Rotatable_Bond_Count	2
164034646	Mono_Isotopic_Weight	100.063662883
72142	Hydrogen_Bond_Donor_Count	1
88093948	Exact_Mass	416.32904526
92877	Exact_Mass	276.245315640
69299	Rotatable_Bond_Count	3
589209	Hydrogen_Bond_Donor_Count	0
74141	Structure_Complexity	114
5280934	Covalent_Unit_Count	1
2336530	Defined_Atom_Stereo_Count	0
9609	TPSA	25.3
91523740	Molecular_Weight	110.20
19375411	Structure_Complexity	119
71449859	XLogP3-AA	3.2
57485872	TPSA	63.3
61041	Undefined_Bond_Stereo_Count	0
22639586	TPSA	38
6324103	Rotatable_Bond_Count	3
70671195	Defined_Bond_Stereo_Count	0
24848788	Defined_Atom_Stereo_Count	0
13570516	Covalent_Unit_Count	1
5494414	Structure_Complexity	454
68019	Mono_Isotopic_Weight	206.0638410
157727	Covalent_Unit_Count	1
151419	Covalent_Unit_Count	1
66545	TPSA	115
11345692	Covalent_Unit_Count	2
7672	Undefined_Bond_Stereo_Count	0
49869312	Defined_Atom_Stereo_Count	0
23662139	Exact_Mass	138.02928836
4095	Defined_Bond_Stereo_Count	0
66615619	Hydrogen_Bond_Acceptor_Count	6
2565	Hydrogen_Bond_Acceptor_Count	5
54255838	Non-hydrogen_Atom_Count	8
15071433	Defined_Atom_Stereo_Count	4
5352062	Total_Formal_Charge	0
12095999	Covalent_Unit_Count	1
3000450	Hydrogen_Bond_Acceptor_Count	6
71737801	Isotope_Atom_Count	0
99058	Molecular_Weight	260.14
10350317	Undefined_Atom_Stereo_Count	0
328	Undefined_Atom_Stereo_Count	1
11420409	Mono_Isotopic_Weight	488.13498116
10117987	Mono_Isotopic_Weight	503.23933582
154404053	Undefined_Bond_Stereo_Count	0
3532561	Mono_Isotopic_Weight	86.084398327
451417	Molecular_Weight	679.8
16295	Hydrogen_Bond_Donor_Count	0
9897412	Rotatable_Bond_Count	11
26440	Defined_Atom_Stereo_Count	0
165880629	TPSA	41.2
57401684	TPSA	102
47297	Defined_Atom_Stereo_Count	0
32804	Rotatable_Bond_Count	0
23985	TPSA	0
51577	Total_Formal_Charge	0
12755	Exact_Mass	109.052763847
54536507	Hydrogen_Bond_Acceptor_Count	4
59999517	Hydrogen_Bond_Acceptor_Count	2
143495144	Non-hydrogen_Atom_Count	8
23914	Covalent_Unit_Count	1
11957654	Structure_Complexity	518
51683	Isotope_Atom_Count	0
85668777	Total_Formal_Charge	0
135989	Molecular_Weight	82.14
17076	Isotope_Atom_Count	0
156614059	Hydrogen_Bond_Acceptor_Count	5
11501341	Mono_Isotopic_Weight	358.192206
59834563	Mono_Isotopic_Weight	372.16985928
751826	Covalent_Unit_Count	1
19458	Mono_Isotopic_Weight	473.94157537
8108	Hydrogen_Bond_Acceptor_Count	1
12196274	Defined_Atom_Stereo_Count	0
44792	Mono_Isotopic_Weight	173.177964357
50856	Exact_Mass	216.1029409
74651	Mono_Isotopic_Weight	166.062994177
820103	XLogP3-AA	4.2
5473268	Non-hydrogen_Atom_Count	27
2219	Isotope_Atom_Count	0
106999	Undefined_Bond_Stereo_Count	0
4394	XLogP3-AA	2.5
13483800	Undefined_Bond_Stereo_Count	0
19594968	Structure_Complexity	31.9
448285	Molecular_Weight	359.9
13810419	Non-hydrogen_Atom_Count	8
10704	Hydrogen_Bond_Acceptor_Count	1
12842598	Mono_Isotopic_Weight	87.068413911
23681559	Tautomer_Count	6
5310983	Mono_Isotopic_Weight	552.98346781
58612101	Isotope_Atom_Count	0
28620	Exact_Mass	942.48243013
69601	Mono_Isotopic_Weight	116.062600255
64334	Total_Formal_Charge	0
5353760	Molecular_Weight	268.39
17475	TPSA	29.1
68653619	Non-hydrogen_Atom_Count	17
6604333	Isotope_Atom_Count	0
6326996	Covalent_Unit_Count	1
10310632	Hydrogen_Bond_Acceptor_Count	5
5370325	Undefined_Bond_Stereo_Count	0
5487068	Undefined_Bond_Stereo_Count	0
5324781	TPSA	41.8
8372	Undefined_Bond_Stereo_Count	0
25024304	Structure_Complexity	690
3330	Non-hydrogen_Atom_Count	18
13003479	Undefined_Atom_Stereo_Count	2
80283	Non-hydrogen_Atom_Count	7
134085	Undefined_Atom_Stereo_Count	1
143403310	Hydrogen_Bond_Donor_Count	2
75318	Hydrogen_Bond_Donor_Count	1
18398	Exact_Mass	114.068079557
888457	Exact_Mass	341.0488569
122672156	TPSA	52.1
21075	Covalent_Unit_Count	1
71782	Rotatable_Bond_Count	5
3225	Covalent_Unit_Count	1
68075820	Non-hydrogen_Atom_Count	8
16752772	Tautomer_Count	1
168625	Rotatable_Bond_Count	2
129681809	Structure_Complexity	225
10299410	TPSA	70.2
59050126	Covalent_Unit_Count	1
7160	TPSA	35.5
9939627	Total_Formal_Charge	0
20483595	Isotope_Atom_Count	0
79577298	TPSA	29.5
6537493	Mono_Isotopic_Weight	867.49802062
2735045	Hydrogen_Bond_Donor_Count	0
13297684	Covalent_Unit_Count	1
9912	Isotope_Atom_Count	0
137281577	Total_Formal_Charge	0
65679	Isotope_Atom_Count	0
53918	Defined_Bond_Stereo_Count	0
24865264	Defined_Atom_Stereo_Count	1
9905875	Mono_Isotopic_Weight	338.11879497
19938019	Isotope_Atom_Count	0
30921	Exact_Mass	297.1495567
102515	Total_Formal_Charge	0
23675339	Undefined_Bond_Stereo_Count	0
540327	Structure_Complexity	415
9075	Structure_Complexity	65
3082	TPSA	105
7621	Rotatable_Bond_Count	8
5940	Exact_Mass	280.90199
20463	Isotope_Atom_Count	0
9661	Structure_Complexity	233
3793	Undefined_Bond_Stereo_Count	0
74195	Hydrogen_Bond_Acceptor_Count	0
53470	TPSA	40.5
344865	Rotatable_Bond_Count	6
138107	Undefined_Bond_Stereo_Count	0
6441388	TPSA	127
16021	Isotope_Atom_Count	0
11528340	Mono_Isotopic_Weight	118.074227566
3692772	Structure_Complexity	171
344793	TPSA	38.7
41583	Defined_Atom_Stereo_Count	0
65573725	Non-hydrogen_Atom_Count	7
45789647	Undefined_Atom_Stereo_Count	1
4593	TPSA	70.2
90019226	Mono_Isotopic_Weight	103.063328530
61341	Undefined_Atom_Stereo_Count	0
57403815	Exact_Mass	539.22426310
131801066	Defined_Bond_Stereo_Count	0
32797	Mono_Isotopic_Weight	410.1660152
65043	Mono_Isotopic_Weight	263.0283962
93131	Tautomer_Count	1
5287620	Total_Formal_Charge	0
6843	Molecular_Weight	294.39
104981	Defined_Atom_Stereo_Count	0
66572376	Exact_Mass	122.00376522
139030531	XLogP3-AA	4.1
9865421	Mono_Isotopic_Weight	394.20049070
9894291	Structure_Complexity	459
98500	Structure_Complexity	234
131721456	Structure_Complexity	386
23137	Non-hydrogen_Atom_Count	13
70248	Exact_Mass	148.121177757
16091096	Non-hydrogen_Atom_Count	46
17244	TPSA	17.1
5280953	Covalent_Unit_Count	1
6857497	Rotatable_Bond_Count	0
50614	Hydrogen_Bond_Donor_Count	4
30318	Undefined_Bond_Stereo_Count	0
6444186	Undefined_Atom_Stereo_Count	2
5885	Non-hydrogen_Atom_Count	48
1855	Non-hydrogen_Atom_Count	15
53693033	Rotatable_Bond_Count	2
9013	Defined_Atom_Stereo_Count	0
544627	Hydrogen_Bond_Acceptor_Count	1
408714	XLogP3-AA	0.3
13065896	Hydrogen_Bond_Donor_Count	0
44251425	Defined_Atom_Stereo_Count	1
20100130	Structure_Complexity	420
53685821	Mono_Isotopic_Weight	102.079312947
3420996	Exact_Mass	184.182715385
89904392	Hydrogen_Bond_Acceptor_Count	3
33960	Rotatable_Bond_Count	4
15458	Structure_Complexity	119
54144657	Undefined_Bond_Stereo_Count	1
87505	Total_Formal_Charge	1
73111	Rotatable_Bond_Count	9
25133631	Mono_Isotopic_Weight	380.16485409
295763	Hydrogen_Bond_Acceptor_Count	3
12309465	Exact_Mass	405.813931
72327	Mono_Isotopic_Weight	260.08084968
6433117	Isotope_Atom_Count	0
60025	Undefined_Atom_Stereo_Count	0
12256	Hydrogen_Bond_Acceptor_Count	1
24198	Total_Formal_Charge	0
6852406	TPSA	62.3
159871	Undefined_Atom_Stereo_Count	1
123543	Defined_Atom_Stereo_Count	0
26318	Tautomer_Count	1
638083	Covalent_Unit_Count	1
61420	Defined_Bond_Stereo_Count	0
821645	Defined_Bond_Stereo_Count	1
92155	Structure_Complexity	730
14865900	Total_Formal_Charge	0
3033825	Rotatable_Bond_Count	3
20342	Isotope_Atom_Count	0
79783	Structure_Complexity	54.3
11519069	Exact_Mass	507.17729
57349445	Isotope_Atom_Count	0
12062	TPSA	89.3
426409	Hydrogen_Bond_Donor_Count	3
107977	Exact_Mass	143.131014166
30251	Mono_Isotopic_Weight	283.0894550
12634655	Structure_Complexity	109
15644502	Defined_Atom_Stereo_Count	0
25335	Tautomer_Count	1
946372	Structure_Complexity	492
70991	Structure_Complexity	179
3032572	Molecular_Weight	226.4
71759	Defined_Atom_Stereo_Count	0
330654	Non-hydrogen_Atom_Count	7
1550823	Undefined_Atom_Stereo_Count	0
10290728	Undefined_Bond_Stereo_Count	0
52508	Undefined_Atom_Stereo_Count	1
3035668	Rotatable_Bond_Count	1
12441659	Hydrogen_Bond_Donor_Count	0
5288998	Mono_Isotopic_Weight	237.06372245
70652	Rotatable_Bond_Count	4
16628	Total_Formal_Charge	0
30552	Tautomer_Count	1
23622607	Structure_Complexity	610
65820	TPSA	66.8
71312102	Covalent_Unit_Count	5
74096	Covalent_Unit_Count	1
3743617	Defined_Atom_Stereo_Count	0
130349042	Undefined_Atom_Stereo_Count	0
145068	TPSA	18.1
16219784	Isotope_Atom_Count	0
4866	Covalent_Unit_Count	1
6102820	Rotatable_Bond_Count	3
756229	Non-hydrogen_Atom_Count	24
12295391	Hydrogen_Bond_Acceptor_Count	4
638011	Hydrogen_Bond_Donor_Count	0
23706212	Total_Formal_Charge	0
67979	Defined_Atom_Stereo_Count	0
11306073	Defined_Bond_Stereo_Count	0
54580	TPSA	106
126627233	Structure_Complexity	62.5
139133	Exact_Mass	114.068079557
25113157	TPSA	178
11073538	Isotope_Atom_Count	0
21585056	Hydrogen_Bond_Acceptor_Count	2
60202105	Covalent_Unit_Count	1
229295	Mono_Isotopic_Weight	410.28209507
7499	Total_Formal_Charge	0
123880197	Non-hydrogen_Atom_Count	8
67137411	Molecular_Weight	111.06
5363685	Molecular_Weight	206.28
6028462	Structure_Complexity	72
18956015	Non-hydrogen_Atom_Count	8
102004571	Covalent_Unit_Count	1
4343483	Molecular_Weight	109.80
5320250	Undefined_Bond_Stereo_Count	0
67128140	Non-hydrogen_Atom_Count	8
23549397	Total_Formal_Charge	0
71624688	Hydrogen_Bond_Acceptor_Count	3
76460	Exact_Mass	714.51294241
92272	Non-hydrogen_Atom_Count	16
1899	Isotope_Atom_Count	0
114751	Covalent_Unit_Count	1
23667627	Total_Formal_Charge	0
5459220	Total_Formal_Charge	0
12271363	Structure_Complexity	137
15567528	Mono_Isotopic_Weight	112.063662883
1194	Total_Formal_Charge	0
101589314	Hydrogen_Bond_Acceptor_Count	4
85576	TPSA	33
73895182	Mono_Isotopic_Weight	315.04913502
3206	Undefined_Bond_Stereo_Count	0
11957535	Structure_Complexity	318
57054055	Isotope_Atom_Count	0
2351	Structure_Complexity	382
133562737	TPSA	161
518733	Hydrogen_Bond_Donor_Count	1
9574960	XLogP3-AA	2.3
13992155	Hydrogen_Bond_Acceptor_Count	8
688043	Rotatable_Bond_Count	1
135484549	Isotope_Atom_Count	0
129738943	Structure_Complexity	129
11527774	Non-hydrogen_Atom_Count	38
24949245	XLogP3-AA	3.8
18569	Non-hydrogen_Atom_Count	6
22477643	Mono_Isotopic_Weight	106.053098200
25142312	XLogP3-AA	3.1
132157	Defined_Atom_Stereo_Count	0
13166771	Defined_Atom_Stereo_Count	0
31284	Defined_Atom_Stereo_Count	0
20652538	Structure_Complexity	97.5
151318	Hydrogen_Bond_Acceptor_Count	3
139242912	Non-hydrogen_Atom_Count	57
33838	Mono_Isotopic_Weight	240.968878
87139265	Rotatable_Bond_Count	2
85760873	Non-hydrogen_Atom_Count	7
13424661	TPSA	126
9548595	Mono_Isotopic_Weight	426.386166214
3586	TPSA	70.1
446113	Undefined_Bond_Stereo_Count	0
18002315	Structure_Complexity	113
65708	Exact_Mass	190.074227566
53326315	Structure_Complexity	648
70815	Structure_Complexity	239
5281249	Undefined_Bond_Stereo_Count	0
5323974	Covalent_Unit_Count	1
7862	Defined_Atom_Stereo_Count	0
456297	Mono_Isotopic_Weight	569.29082182
18929959	Total_Formal_Charge	0
11326613	Non-hydrogen_Atom_Count	29
259992	Defined_Bond_Stereo_Count	0
13574952	Rotatable_Bond_Count	1
20578853	Defined_Bond_Stereo_Count	0
69550	Defined_Atom_Stereo_Count	0
24891700	Exact_Mass	427.20082506
65360	Molecular_Weight	207.25
137184495	Undefined_Bond_Stereo_Count	0
83163	Undefined_Atom_Stereo_Count	0
69401	Covalent_Unit_Count	2
2463138	Rotatable_Bond_Count	2
12920383	Defined_Atom_Stereo_Count	0
24706	Structure_Complexity	1110
124037382	Covalent_Unit_Count	1
43029	Rotatable_Bond_Count	6
75317	Undefined_Atom_Stereo_Count	0
1476857	Non-hydrogen_Atom_Count	18
140211	Undefined_Atom_Stereo_Count	0
1096	Mono_Isotopic_Weight	921.249292
59601793	XLogP3-AA	1.2
21896651	Hydrogen_Bond_Acceptor_Count	47
9884833	XLogP3-AA	3.2
9953590	Mono_Isotopic_Weight	414.20423867
131668508	TPSA	332
2752638	Non-hydrogen_Atom_Count	13
81836	Total_Formal_Charge	0
34072	Defined_Bond_Stereo_Count	0
11953153	Molecular_Weight	489.4
123164	Exact_Mass	14.0156500638
78297	Defined_Atom_Stereo_Count	0
53304446	Undefined_Atom_Stereo_Count	0
19014	Non-hydrogen_Atom_Count	14
74405857	Undefined_Bond_Stereo_Count	0
1995	Hydrogen_Bond_Donor_Count	2
57121306	Defined_Bond_Stereo_Count	0
22661080	Total_Formal_Charge	0
65595	Isotope_Atom_Count	0
11365506	Undefined_Atom_Stereo_Count	0
1093	Undefined_Bond_Stereo_Count	0
10417847	Defined_Bond_Stereo_Count	0
51635	Total_Formal_Charge	0
9807	Hydrogen_Bond_Donor_Count	0
4913256	Isotope_Atom_Count	0
60196390	Hydrogen_Bond_Acceptor_Count	6
24825758	Hydrogen_Bond_Acceptor_Count	18
24946799	Undefined_Atom_Stereo_Count	1
4895	Non-hydrogen_Atom_Count	29
77082	Covalent_Unit_Count	2
604767	Defined_Atom_Stereo_Count	0
36688115	Isotope_Atom_Count	0
60988	Defined_Bond_Stereo_Count	0
701038	Rotatable_Bond_Count	2
136592	Defined_Bond_Stereo_Count	0
62731702	TPSA	48.9
522741	Molecular_Weight	406.5
12259682	Structure_Complexity	414
45086592	TPSA	83.6
54149606	Covalent_Unit_Count	1
519946	Undefined_Atom_Stereo_Count	0
42623223	Undefined_Bond_Stereo_Count	0
18671478	Rotatable_Bond_Count	1
6358	Hydrogen_Bond_Acceptor_Count	0
89423	Exact_Mass	124.052429494
78960	Undefined_Bond_Stereo_Count	0
102692	Structure_Complexity	43.7
564980	Hydrogen_Bond_Acceptor_Count	3
59966656	Undefined_Atom_Stereo_Count	2
152997633	Undefined_Atom_Stereo_Count	0
534451	TPSA	12.5
19094	Structure_Complexity	179
445318	Non-hydrogen_Atom_Count	20
497803	Structure_Complexity	572
3023651	Isotope_Atom_Count	0
536086	Hydrogen_Bond_Acceptor_Count	2
95946	Defined_Bond_Stereo_Count	0
20514191	Rotatable_Bond_Count	0
6293	Mono_Isotopic_Weight	240.04225873
5284442	XLogP3-AA	4
15273943	XLogP3-AA	1.4
11974215	Exact_Mass	511.22309724
98497	Covalent_Unit_Count	1
54445182	TPSA	110
15731	Defined_Bond_Stereo_Count	0
1524	Defined_Bond_Stereo_Count	0
12551755	Covalent_Unit_Count	1
158782	Rotatable_Bond_Count	26
16065391	XLogP3-AA	5
6588	Rotatable_Bond_Count	1
21139953	Hydrogen_Bond_Acceptor_Count	2
14251035	Structure_Complexity	53.6
4302963	Covalent_Unit_Count	1
91301938	TPSA	26.3
53316417	Structure_Complexity	446
124844	Undefined_Bond_Stereo_Count	0
157882	Total_Formal_Charge	0
53906657	Undefined_Bond_Stereo_Count	1
90420227	Molecular_Weight	114.15
272833	Mono_Isotopic_Weight	364.10929292
451674	Rotatable_Bond_Count	4
12264	Undefined_Bond_Stereo_Count	0
161973	TPSA	0
4916	Non-hydrogen_Atom_Count	21
17151	Undefined_Bond_Stereo_Count	0
9373	Hydrogen_Bond_Donor_Count	1
13785328	Structure_Complexity	590
24352	Undefined_Bond_Stereo_Count	0
10704662	Undefined_Atom_Stereo_Count	1
63801	Covalent_Unit_Count	2
68871	TPSA	12.5
233552	Rotatable_Bond_Count	4
968645	Rotatable_Bond_Count	3
11106352	Rotatable_Bond_Count	0
60196297	Structure_Complexity	377
66954934	Hydrogen_Bond_Acceptor_Count	1
23665763	Mono_Isotopic_Weight	103.95440935
36660	Molecular_Weight	234.25
131430882	Covalent_Unit_Count	1
17617	Tautomer_Count	1
73920	Mono_Isotopic_Weight	342.06405680
12502857	Non-hydrogen_Atom_Count	7
703965	Covalent_Unit_Count	1
74440	Isotope_Atom_Count	0
23675242	Tautomer_Count	1
10117987	Defined_Bond_Stereo_Count	0
14672754	Total_Formal_Charge	0
73078	Defined_Bond_Stereo_Count	0
4475481	Exact_Mass	447.1228804
23676225	Tautomer_Count	2
16137271	Non-hydrogen_Atom_Count	413
11420	Non-hydrogen_Atom_Count	8
67317342	Hydrogen_Bond_Donor_Count	1
74	Tautomer_Count	60
14454	Covalent_Unit_Count	1
14781	Undefined_Atom_Stereo_Count	0
22224184	Total_Formal_Charge	0
1964	Non-hydrogen_Atom_Count	23
177085	XLogP3-AA	2.2
10548	Defined_Bond_Stereo_Count	0
65359	Covalent_Unit_Count	1
152943	Mono_Isotopic_Weight	379.17433553
6854	Non-hydrogen_Atom_Count	13
12205	Hydrogen_Bond_Donor_Count	4
21916	TPSA	12.5
5876	Total_Formal_Charge	0
161988362	Exact_Mass	112.088815002
6604472	Hydrogen_Bond_Donor_Count	3
53319933	Exact_Mass	242.05138412
57707	Mono_Isotopic_Weight	305.0949343
22082547	Structure_Complexity	77.7
16315	Defined_Bond_Stereo_Count	0
60712	Hydrogen_Bond_Donor_Count	2
4424	Undefined_Bond_Stereo_Count	2
6321411	Undefined_Bond_Stereo_Count	0
58559	Undefined_Bond_Stereo_Count	0
228506	Mono_Isotopic_Weight	140.02219199
68381	Covalent_Unit_Count	1
11829397	TPSA	25.1
95456	Mono_Isotopic_Weight	117.078978594
577022	Hydrogen_Bond_Donor_Count	1
65495	Exact_Mass	458.997796
25295	Defined_Bond_Stereo_Count	0
13391464	Exact_Mass	229.06987046
54477013	Structure_Complexity	753
5459830	Isotope_Atom_Count	0
139020	Covalent_Unit_Count	1
556998	Undefined_Bond_Stereo_Count	0
164075219	Hydrogen_Bond_Acceptor_Count	0
53326688	Molecular_Weight	463.0
3923	Defined_Bond_Stereo_Count	0
76335	Hydrogen_Bond_Acceptor_Count	1
9870843	Defined_Bond_Stereo_Count	2
31953	Undefined_Atom_Stereo_Count	0
58750499	TPSA	29.6
53364498	XLogP3-AA	5.5
84912	Hydrogen_Bond_Acceptor_Count	3
54585	Molecular_Weight	357.32
135686255	Non-hydrogen_Atom_Count	17
101838	Defined_Atom_Stereo_Count	0
73889	Mono_Isotopic_Weight	285.06122053
5460822	Non-hydrogen_Atom_Count	13
64627	Mono_Isotopic_Weight	356.22122615
59390227	Mono_Isotopic_Weight	463.22485769
12181	Structure_Complexity	84.1
23662383	Mono_Isotopic_Weight	232.07452447
12656856	Total_Formal_Charge	0
40273	Total_Formal_Charge	0
74120	Tautomer_Count	1
21922278	Non-hydrogen_Atom_Count	7
110862	Defined_Bond_Stereo_Count	0
8432	Defined_Bond_Stereo_Count	0
445318	Hydrogen_Bond_Acceptor_Count	6
54024247	Total_Formal_Charge	0
22149470	Defined_Bond_Stereo_Count	0
20852	Defined_Bond_Stereo_Count	0
90297	XLogP3-AA	2.7
17842350	Undefined_Bond_Stereo_Count	0
60196350	Rotatable_Bond_Count	2
16212247	Rotatable_Bond_Count	0
267571	Rotatable_Bond_Count	2
62010	Total_Formal_Charge	0
312	Mono_Isotopic_Weight	34.9688527
83859	Structure_Complexity	503
16212360	Molecular_Weight	100.02
44305779	Defined_Atom_Stereo_Count	0
7578	Covalent_Unit_Count	1
24808640	Total_Formal_Charge	0
70686373	Structure_Complexity	574
14743344	Undefined_Atom_Stereo_Count	0
66275	Defined_Atom_Stereo_Count	0
33791	Non-hydrogen_Atom_Count	14
76171	Hydrogen_Bond_Donor_Count	1
153963013	Hydrogen_Bond_Acceptor_Count	4
135753908	Total_Formal_Charge	0
16123056	TPSA	101
220164	Mono_Isotopic_Weight	84.057514874
894	Defined_Bond_Stereo_Count	0
16682930	Hydrogen_Bond_Donor_Count	0
655797	Defined_Bond_Stereo_Count	0
10180182	Molecular_Weight	416.6
154247752	Molecular_Weight	104.15
118771	Mono_Isotopic_Weight	265.18216827
2762921	Total_Formal_Charge	0
6921821	Rotatable_Bond_Count	3
6652	Molecular_Weight	204.31
63198	Mono_Isotopic_Weight	252.126263138
10926093	Hydrogen_Bond_Acceptor_Count	2
140554	Molecular_Weight	112.17
447123	Mono_Isotopic_Weight	337.09437113
9537	Hydrogen_Bond_Acceptor_Count	2
90225710	Isotope_Atom_Count	0
14923234	Total_Formal_Charge	0
134816864	Defined_Bond_Stereo_Count	0
3566445	TPSA	79.6
6604816	Mono_Isotopic_Weight	1201.84136802
3048339	Tautomer_Count	3
20787	Tautomer_Count	2
16202184	Mono_Isotopic_Weight	384.15976871
443586	Mono_Isotopic_Weight	183.05315777
193702	XLogP3	6.5
115011062	Undefined_Atom_Stereo_Count	0
13727	Total_Formal_Charge	0
44560806	Mono_Isotopic_Weight	348.12561169
130567	Rotatable_Bond_Count	8
91414	Rotatable_Bond_Count	2
38642	Hydrogen_Bond_Donor_Count	0
447405	Structure_Complexity	534
135424770	Hydrogen_Bond_Donor_Count	1
232789	Non-hydrogen_Atom_Count	10
158726884	TPSA	17.8
25654	Exact_Mass	389.16991885
11363176	Structure_Complexity	674
6481	Molecular_Weight	244.37
78318119	Undefined_Bond_Stereo_Count	0
64865	Exact_Mass	292.215078140
26929	Hydrogen_Bond_Acceptor_Count	4
2049	Undefined_Atom_Stereo_Count	0
104938	Mono_Isotopic_Weight	360.12677620
449107	Defined_Atom_Stereo_Count	2
16536	Total_Formal_Charge	0
18736304	Hydrogen_Bond_Acceptor_Count	0
162990682	Structure_Complexity	1220
3297	Defined_Bond_Stereo_Count	0
69657541	Hydrogen_Bond_Donor_Count	0
24780352	Hydrogen_Bond_Donor_Count	2
11194317	Defined_Atom_Stereo_Count	0
67066652	Molecular_Weight	116.11
18598488	Covalent_Unit_Count	1
8002585	Defined_Bond_Stereo_Count	0
9200	Undefined_Bond_Stereo_Count	0
15447	Defined_Atom_Stereo_Count	0
843960	Hydrogen_Bond_Acceptor_Count	3
11282394	Exact_Mass	452.13186158
3413668	TPSA	40.5
16398	Hydrogen_Bond_Acceptor_Count	1
9789	Mono_Isotopic_Weight	121.01393355
6419933	Defined_Atom_Stereo_Count	38
34837	Molecular_Weight	324.4
398652	Defined_Atom_Stereo_Count	0
3239844	Covalent_Unit_Count	1
3985	Rotatable_Bond_Count	26
637584	Defined_Bond_Stereo_Count	0
135761165	Undefined_Atom_Stereo_Count	0
4004	Defined_Atom_Stereo_Count	0
80125	Covalent_Unit_Count	1
54150876	Structure_Complexity	165
43876	Hydrogen_Bond_Donor_Count	0
50258	Exact_Mass	298.22564282
69356	Defined_Bond_Stereo_Count	0
638132	Isotope_Atom_Count	0
16667736	Tautomer_Count	14
143378061	TPSA	44.2
4284331	Undefined_Atom_Stereo_Count	1
12968	Exact_Mass	189.11873540
50295	Hydrogen_Bond_Acceptor_Count	8
557049	Undefined_Atom_Stereo_Count	3
91589	Molecular_Weight	204.65
861	Structure_Complexity	402
85983	Exact_Mass	218.05790880
4110039	Mono_Isotopic_Weight	132.00096561
10429254	Defined_Bond_Stereo_Count	4
53563	Hydrogen_Bond_Acceptor_Count	4
92131820	Undefined_Bond_Stereo_Count	0
26176	Hydrogen_Bond_Donor_Count	0
57399796	Defined_Atom_Stereo_Count	0
4033	Exact_Mass	155.0268547
6604122	Exact_Mass	376.16343649
49440	Molecular_Weight	220.6
313444	Non-hydrogen_Atom_Count	11
162839	Non-hydrogen_Atom_Count	15
70686473	Non-hydrogen_Atom_Count	28
668601	Isotope_Atom_Count	0
3033674	Hydrogen_Bond_Acceptor_Count	8
1219	Isotope_Atom_Count	0
14679811	Undefined_Bond_Stereo_Count	0
24831714	Structure_Complexity	476
24833843	Hydrogen_Bond_Acceptor_Count	9
54682651	Exact_Mass	342.0658866
443967	Molecular_Weight	434.5
219101	Covalent_Unit_Count	1
411817	Undefined_Bond_Stereo_Count	0
7337	Molecular_Weight	168.15
90393	Isotope_Atom_Count	0
158524	Rotatable_Bond_Count	14
147246033	Mono_Isotopic_Weight	98.073164938
76991	Exact_Mass	186.068079557
15204529	XLogP3-AA	1.1
94037	Non-hydrogen_Atom_Count	25
143588	TPSA	0
13245088	Molecular_Weight	114.14
54023535	Isotope_Atom_Count	0
44560911	Isotope_Atom_Count	0
6433415	Defined_Bond_Stereo_Count	1
8117	Non-hydrogen_Atom_Count	7
53401340	Hydrogen_Bond_Acceptor_Count	3
5253	Defined_Bond_Stereo_Count	0
44545852	Hydrogen_Bond_Donor_Count	1
4556055	TPSA	55.7
70333	Hydrogen_Bond_Donor_Count	0
85922476	Structure_Complexity	99.6
1414	Undefined_Bond_Stereo_Count	3
1736	Undefined_Atom_Stereo_Count	3
7346	Defined_Bond_Stereo_Count	0
71873	Undefined_Bond_Stereo_Count	0
76957520	Undefined_Atom_Stereo_Count	0
61129	XLogP3-AA	4.3
12746990	Molecular_Weight	113.12
10586	Hydrogen_Bond_Donor_Count	1
11952	Undefined_Bond_Stereo_Count	0
21187035	Undefined_Atom_Stereo_Count	0
9823	Hydrogen_Bond_Acceptor_Count	3
75354	Non-hydrogen_Atom_Count	27
14197	Hydrogen_Bond_Donor_Count	1
441332	Mono_Isotopic_Weight	368.25627424
667639	Defined_Bond_Stereo_Count	1
19787449	Structure_Complexity	115
17875436	Hydrogen_Bond_Acceptor_Count	2
2762887	Defined_Bond_Stereo_Count	0
1725	Non-hydrogen_Atom_Count	10
9888075	Mono_Isotopic_Weight	415.19948764
118039329	Structure_Complexity	756
71334656	Structure_Complexity	156
16835	Isotope_Atom_Count	0
163646941	Isotope_Atom_Count	0
126968498	Molecular_Weight	835.1
975767	Non-hydrogen_Atom_Count	17
40472	Isotope_Atom_Count	0
131731747	Non-hydrogen_Atom_Count	13
7106	Undefined_Bond_Stereo_Count	0
78201192	Defined_Atom_Stereo_Count	0
13927379	Rotatable_Bond_Count	4
4070	Undefined_Atom_Stereo_Count	0
3288597	Non-hydrogen_Atom_Count	26
14453672	Molecular_Weight	114.19
15230353	XLogP3-AA	3.9
133621	Structure_Complexity	275
57461895	Covalent_Unit_Count	1
45934213	Total_Formal_Charge	0
84623	Hydrogen_Bond_Donor_Count	0
535111	Total_Formal_Charge	0
68229136	Rotatable_Bond_Count	4
8946	Non-hydrogen_Atom_Count	10
62478	Non-hydrogen_Atom_Count	11
7777	Isotope_Atom_Count	0
8280	XLogP3-AA	0.8
16081932	Covalent_Unit_Count	1
134695314	Isotope_Atom_Count	0
53974092	Defined_Bond_Stereo_Count	0
5366546	Undefined_Bond_Stereo_Count	0
71311162	Defined_Bond_Stereo_Count	0
5460044	Total_Formal_Charge	0
73313	Mono_Isotopic_Weight	184.04840674
38849	Structure_Complexity	636
24824	Undefined_Bond_Stereo_Count	0
114911	Undefined_Atom_Stereo_Count	1
4684505	Exact_Mass	338.08668395
137185902	Total_Formal_Charge	0
27387	Non-hydrogen_Atom_Count	21
559	Rotatable_Bond_Count	4
70588255	Covalent_Unit_Count	1
54311466	Mono_Isotopic_Weight	103.063328530
11355992	Structure_Complexity	87.7
3117357	Rotatable_Bond_Count	1
54456063	XLogP3-AA	0.7
14816327	Mono_Isotopic_Weight	113.084063974
5287779	Molecular_Weight	202.25
129893980	Defined_Bond_Stereo_Count	0
156144	Covalent_Unit_Count	1
4336	Mono_Isotopic_Weight	381.23376515
5319880	Hydrogen_Bond_Donor_Count	3
44126034	Total_Formal_Charge	0
709170	Rotatable_Bond_Count	4
67320864	Molecular_Weight	113.11
91861230	TPSA	190
91825716	Defined_Atom_Stereo_Count	1
6364	Total_Formal_Charge	0
24729360	Undefined_Bond_Stereo_Count	0
12452048	Covalent_Unit_Count	1
54278701	XLogP3-AA	2.5
10558	XLogP3-AA	1.8
795	Exact_Mass	68.037448136
10231705	Exact_Mass	536.23180809
91985	Molecular_Weight	96.17
968472	Defined_Atom_Stereo_Count	0
9914506	Structure_Complexity	730
21487318	Isotope_Atom_Count	0
66708	Defined_Atom_Stereo_Count	0
123690360	Isotope_Atom_Count	0
13379958	XLogP3-AA	0.6
200424	Defined_Atom_Stereo_Count	0
70003	Undefined_Bond_Stereo_Count	0
98723	Defined_Bond_Stereo_Count	0
53420268	Hydrogen_Bond_Donor_Count	0
11249084	Rotatable_Bond_Count	6
24751	Defined_Bond_Stereo_Count	0
2578	Defined_Bond_Stereo_Count	0
168131	Mono_Isotopic_Weight	251.154823615
58158	Defined_Atom_Stereo_Count	0
138655	Non-hydrogen_Atom_Count	6
369401	Rotatable_Bond_Count	0
92403	Covalent_Unit_Count	1
59799570	Hydrogen_Bond_Donor_Count	3
12014	Undefined_Atom_Stereo_Count	0
69892	Exact_Mass	189.115364102
9830317	Defined_Atom_Stereo_Count	2
199855	TPSA	44
12040512	TPSA	115
19704592	Rotatable_Bond_Count	0
296464	Covalent_Unit_Count	1
101543	Hydrogen_Bond_Donor_Count	5
198212	Non-hydrogen_Atom_Count	13
54054905	Hydrogen_Bond_Donor_Count	2
88300	Isotope_Atom_Count	0
56673690	Structure_Complexity	742
8966	XLogP3-AA	3.6
126704391	Exact_Mass	180.06338810
87072684	XLogP3-AA	0.8
7842	Rotatable_Bond_Count	0
56734	Defined_Atom_Stereo_Count	0
9931	Mono_Isotopic_Weight	305.177964357
5289514	XLogP3-AA	4.2
131709156	Undefined_Bond_Stereo_Count	0
321858	Total_Formal_Charge	0
22902239	Molecular_Weight	94.11
66579015	Total_Formal_Charge	0
10937610	Total_Formal_Charge	0
7749	Molecular_Weight	102.13
21120209	Exact_Mass	222.0587557
161664	Defined_Atom_Stereo_Count	0
604519	Hydrogen_Bond_Acceptor_Count	2
39752	Tautomer_Count	2
44190035	Undefined_Bond_Stereo_Count	0
42552711	Mono_Isotopic_Weight	342.11621151
432760	TPSA	125
640308	Defined_Atom_Stereo_Count	0
84	Structure_Complexity	1610
704233	Isotope_Atom_Count	0
71346	Isotope_Atom_Count	0
10255241	Covalent_Unit_Count	1
14926954	Undefined_Bond_Stereo_Count	0
2735038	Mono_Isotopic_Weight	114.031694049
4113127	Hydrogen_Bond_Donor_Count	3
135400456	Undefined_Bond_Stereo_Count	0
2521	Molecular_Weight	622.5
3688	TPSA	66.6
28486	Mono_Isotopic_Weight	7.01600343
15671365	Undefined_Bond_Stereo_Count	0
233707	Rotatable_Bond_Count	1
21517	Non-hydrogen_Atom_Count	33
13601742	Hydrogen_Bond_Acceptor_Count	2
45120722	Defined_Bond_Stereo_Count	0
21685	Undefined_Atom_Stereo_Count	2
2085	XLogP3	3.2
5492898	Undefined_Bond_Stereo_Count	0
9835852	XLogP3-AA	1.8
2882	Undefined_Atom_Stereo_Count	0
691156	Defined_Bond_Stereo_Count	0
118944	Non-hydrogen_Atom_Count	8
19911136	Covalent_Unit_Count	1
5320868	Mono_Isotopic_Weight	324.183778013
33113	Undefined_Atom_Stereo_Count	0
91575456	Defined_Atom_Stereo_Count	0
90184753	Defined_Bond_Stereo_Count	0
123257569	Structure_Complexity	117
644021	Undefined_Atom_Stereo_Count	0
18762609	TPSA	38.7
46866319	Rotatable_Bond_Count	6
66545764	Undefined_Atom_Stereo_Count	0
20226581	Isotope_Atom_Count	0
5311333	Molecular_Weight	1111.3
36190	Covalent_Unit_Count	1
66692781	Undefined_Atom_Stereo_Count	0
44560080	Defined_Atom_Stereo_Count	9
8974	Isotope_Atom_Count	0
172198	Molecular_Weight	1046.2
5898	Defined_Bond_Stereo_Count	0
54288465	Structure_Complexity	87.7
67522784	Non-hydrogen_Atom_Count	5
136307	Defined_Bond_Stereo_Count	0
5282108	Structure_Complexity	282
42993	Covalent_Unit_Count	1
274418	Undefined_Bond_Stereo_Count	0
12096	Total_Formal_Charge	0
64212	Rotatable_Bond_Count	3
53326156	Total_Formal_Charge	0
25210	Structure_Complexity	125
5391	Covalent_Unit_Count	1
101023318	Undefined_Bond_Stereo_Count	0
60192	Rotatable_Bond_Count	11
199543	Exact_Mass	108.021129366
121972	Mono_Isotopic_Weight	340.06478
908	Tautomer_Count	2
90453	Undefined_Bond_Stereo_Count	0
168381	Undefined_Atom_Stereo_Count	0
68184523	Exact_Mass	106.041864811
11758093	Structure_Complexity	969
38756	Molecular_Weight	114.19
17753912	TPSA	0
91071011	Non-hydrogen_Atom_Count	29
162817	XLogP3-AA	3
10376445	Hydrogen_Bond_Acceptor_Count	2
64247	Rotatable_Bond_Count	3
53859	Rotatable_Bond_Count	4
42037	Defined_Atom_Stereo_Count	0
441336	Tautomer_Count	6
8195	Undefined_Bond_Stereo_Count	0
90996709	Hydrogen_Bond_Acceptor_Count	1
66764350	Rotatable_Bond_Count	0
3036824	Isotope_Atom_Count	0
53628842	Rotatable_Bond_Count	1
8566	Exact_Mass	808.8803
548835	Undefined_Atom_Stereo_Count	0
11105655	Exact_Mass	159.9749636
41556	Rotatable_Bond_Count	2
15786916	Mono_Isotopic_Weight	60.012887157
14862984	Total_Formal_Charge	0
68790	Defined_Atom_Stereo_Count	0
72913	Undefined_Atom_Stereo_Count	0
10351178	Isotope_Atom_Count	0
12535	Defined_Atom_Stereo_Count	0
73672	Covalent_Unit_Count	1
90754	Isotope_Atom_Count	0
65737	XLogP3-AA	1.8
9957535	Isotope_Atom_Count	0
629365	Undefined_Atom_Stereo_Count	0
20644245	Molecular_Weight	98.14
51946	Exact_Mass	192.175224706
5795	Hydrogen_Bond_Donor_Count	2
95259	Defined_Bond_Stereo_Count	0
6440178	Rotatable_Bond_Count	4
75445	Exact_Mass	477.314398257
625469	Defined_Bond_Stereo_Count	0
6437379	Undefined_Atom_Stereo_Count	0
73413214	TPSA	29.5
2190	Undefined_Bond_Stereo_Count	0
5216	Total_Formal_Charge	0
9808	Isotope_Atom_Count	0
4583824	Exact_Mass	185.060254526
10072851	Rotatable_Bond_Count	5
24180695	Mono_Isotopic_Weight	209.12632271
3035241	Mono_Isotopic_Weight	323.1400546
26879	Defined_Atom_Stereo_Count	1
52949760	Hydrogen_Bond_Acceptor_Count	4
6918296	TPSA	58.2
4683	Exact_Mass	319.07257305
725692	Total_Formal_Charge	0
58460047	Structure_Complexity	860
21889252	Defined_Bond_Stereo_Count	0
122706485	Exact_Mass	2166.9705054
69318	TPSA	35.8
70689350	Hydrogen_Bond_Acceptor_Count	6
56487	TPSA	59.1
444614	Rotatable_Bond_Count	4
5606	Undefined_Atom_Stereo_Count	1
3047787	XLogP3-AA	4.2
68987	Defined_Atom_Stereo_Count	0
12285878	Structure_Complexity	151
4369502	Defined_Bond_Stereo_Count	0
22574	Exact_Mass	232.99940812
16487	Hydrogen_Bond_Donor_Count	4
441035	Molecular_Weight	180.16
60196341	Undefined_Atom_Stereo_Count	14
49765077	Undefined_Atom_Stereo_Count	0
154701841	Non-hydrogen_Atom_Count	29
46884664	Isotope_Atom_Count	0
5276614	XLogP3-AA	8.4
2666	Defined_Bond_Stereo_Count	0
18324766	Defined_Atom_Stereo_Count	0
154909	Isotope_Atom_Count	0
279819	Hydrogen_Bond_Donor_Count	5
58420727	Total_Formal_Charge	0
377	Exact_Mass	547.19474967
14644797	Exact_Mass	115.063328530
148198	Defined_Atom_Stereo_Count	0
7296	Non-hydrogen_Atom_Count	6
5484	Undefined_Atom_Stereo_Count	0
3533588	Hydrogen_Bond_Donor_Count	2
6913	Hydrogen_Bond_Acceptor_Count	1
5280649	Rotatable_Bond_Count	3
2724	Total_Formal_Charge	0
4273	Undefined_Atom_Stereo_Count	0
140568	Exact_Mass	94.078250319
5497105	Exact_Mass	447.17015238
3781	Exact_Mass	285.12996879
9918460	Hydrogen_Bond_Donor_Count	2
7156900	Defined_Bond_Stereo_Count	0
589287	Defined_Atom_Stereo_Count	0
103451510	XLogP3-AA	0.2
824784	XLogP3-AA	4.5
9094	Mono_Isotopic_Weight	158.07653624
4032	Covalent_Unit_Count	1
9266	Molecular_Weight	112.21
93032	Defined_Bond_Stereo_Count	0
12590456	TPSA	29.1
67782238	Molecular_Weight	100.12
5315	Hydrogen_Bond_Donor_Count	3
78157544	Total_Formal_Charge	0
40701	Tautomer_Count	1
162918376	Hydrogen_Bond_Donor_Count	5
13738257	Structure_Complexity	141
129236	Molecular_Weight	285.75
14116047	Total_Formal_Charge	0
96382	Undefined_Atom_Stereo_Count	0
154701779	Isotope_Atom_Count	0
88006	Mono_Isotopic_Weight	193.110278721
20631043	Defined_Bond_Stereo_Count	0
140554	Undefined_Bond_Stereo_Count	0
11737	Total_Formal_Charge	0
82418995	Hydrogen_Bond_Donor_Count	1
7243	Hydrogen_Bond_Acceptor_Count	2
87329230	Rotatable_Bond_Count	2
36833	Rotatable_Bond_Count	14
57228285	TPSA	65.2
129710649	Molecular_Weight	130.09
13018409	Rotatable_Bond_Count	0
3167	Undefined_Bond_Stereo_Count	0
69647192	Structure_Complexity	115
6539029	Mono_Isotopic_Weight	465.19469430
7756	Covalent_Unit_Count	1
85104	TPSA	34.1
12431565	Undefined_Atom_Stereo_Count	1
13991585	Exact_Mass	718.15338487
735319	TPSA	17.3
77763	Exact_Mass	154.135765193
129983893	Mono_Isotopic_Weight	110.048012819
102233552	Undefined_Atom_Stereo_Count	0
536683	Molecular_Weight	73.09
6917728	Hydrogen_Bond_Acceptor_Count	4
2864	Exact_Mass	584.33491849
7413	XLogP3-AA	1.9
13814	Isotope_Atom_Count	0
67979346	Total_Formal_Charge	0
80365	Defined_Bond_Stereo_Count	0
439271	Rotatable_Bond_Count	5
16211286	Isotope_Atom_Count	0
18728307	Non-hydrogen_Atom_Count	7
4422	Isotope_Atom_Count	0
5330213	Rotatable_Bond_Count	5
600809	TPSA	26
18546557	Isotope_Atom_Count	0
72790	Rotatable_Bond_Count	0
543014	Total_Formal_Charge	0
54496696	Non-hydrogen_Atom_Count	7
75171	Mono_Isotopic_Weight	146.141913202
12745213	Isotope_Atom_Count	0
56654130	TPSA	77.5
58528	Total_Formal_Charge	0
12607503	Defined_Bond_Stereo_Count	0
70106	Hydrogen_Bond_Donor_Count	0
14306122	TPSA	52.6
10930	Defined_Bond_Stereo_Count	0
9815418	TPSA	110
20217132	Molecular_Weight	85.15
21867906	Covalent_Unit_Count	2
50888	Non-hydrogen_Atom_Count	24
68845	Isotope_Atom_Count	0
71377454	Defined_Bond_Stereo_Count	0
5280906	Exact_Mass	335.17327290
3086173	Rotatable_Bond_Count	6
6430518	Covalent_Unit_Count	1
8376	Hydrogen_Bond_Donor_Count	0
40302	Rotatable_Bond_Count	1
21909502	Non-hydrogen_Atom_Count	18
137347969	Defined_Bond_Stereo_Count	0
54492709	Isotope_Atom_Count	0
43594	Defined_Atom_Stereo_Count	3
10820489	Hydrogen_Bond_Donor_Count	1
4695	Defined_Atom_Stereo_Count	0
429342	Structure_Complexity	203
71416538	Defined_Bond_Stereo_Count	0
9854073	Isotope_Atom_Count	0
21719984	Mono_Isotopic_Weight	116.083729621
6338	Hydrogen_Bond_Donor_Count	0
101321425	TPSA	87
38879	Isotope_Atom_Count	0
82789	Undefined_Atom_Stereo_Count	0
70689350	Mono_Isotopic_Weight	453.25489452
439518	Structure_Complexity	710
5103	Molecular_Weight	516.5
134687950	Rotatable_Bond_Count	4
21680715	Undefined_Bond_Stereo_Count	0
123704723	Rotatable_Bond_Count	1
5355858	Mono_Isotopic_Weight	284.177630004
2547	Hydrogen_Bond_Donor_Count	14
5281764	Rotatable_Bond_Count	11
6918457	Undefined_Atom_Stereo_Count	0
74089	Rotatable_Bond_Count	4
69913	Molecular_Weight	224.21
30971	Undefined_Bond_Stereo_Count	0
176265	Mono_Isotopic_Weight	263.17077098
13302066	Rotatable_Bond_Count	3
1097	Total_Formal_Charge	0
90408860	Undefined_Atom_Stereo_Count	0
55287853	Defined_Atom_Stereo_Count	0
20387241	Mono_Isotopic_Weight	99.104799419
19940	Total_Formal_Charge	0
97697	Tautomer_Count	1
198498	Defined_Bond_Stereo_Count	0
93092	Molecular_Weight	224.39
229455	TPSA	43.4
13804280	Structure_Complexity	86.1
76217	Mono_Isotopic_Weight	82.041864811
23712863	Undefined_Bond_Stereo_Count	0
165363410	Isotope_Atom_Count	0
219081	Rotatable_Bond_Count	5
446286	Exact_Mass	425.14092740
153767626	Covalent_Unit_Count	1
22697	Defined_Atom_Stereo_Count	0
216287	Rotatable_Bond_Count	3
13466096	Mono_Isotopic_Weight	210.068079557
13065	Undefined_Bond_Stereo_Count	0
3683036	Undefined_Bond_Stereo_Count	0
2562	Hydrogen_Bond_Acceptor_Count	4
193516	Covalent_Unit_Count	1
9024	Mono_Isotopic_Weight	192.115029749
440053	Covalent_Unit_Count	1
642325	Defined_Atom_Stereo_Count	0
134688015	Hydrogen_Bond_Donor_Count	0
114017	Total_Formal_Charge	0
989	TPSA	46.5
13001614	Defined_Bond_Stereo_Count	0
5353466	Total_Formal_Charge	0
10240772	Non-hydrogen_Atom_Count	7
15093812	Undefined_Bond_Stereo_Count	0
9935526	Covalent_Unit_Count	1
74888	Mono_Isotopic_Weight	473.91501
129847163	Defined_Atom_Stereo_Count	8
5282315	Covalent_Unit_Count	2
222786	XLogP3	1.5
83966	Defined_Atom_Stereo_Count	0
91168	Structure_Complexity	143
10019998	Defined_Bond_Stereo_Count	0
6289	Structure_Complexity	516
88098	Rotatable_Bond_Count	3
304	Total_Formal_Charge	0
3938668	Non-hydrogen_Atom_Count	21
776222	Mono_Isotopic_Weight	182.084398327
5160	XLogP3-AA	1.2
121409291	Total_Formal_Charge	0
60196303	Rotatable_Bond_Count	1
54319	TPSA	83.1
27668	Hydrogen_Bond_Donor_Count	0
441358	Molecular_Weight	299.8
72213403	Rotatable_Bond_Count	0
35785	Hydrogen_Bond_Donor_Count	0
6918091	TPSA	213
73416227	Defined_Atom_Stereo_Count	4
6354	Exact_Mass	44.026214747
5877	Defined_Bond_Stereo_Count	0
46220502	Exact_Mass	506.27179938
22754629	Non-hydrogen_Atom_Count	8
6436633	Rotatable_Bond_Count	12
62572	Rotatable_Bond_Count	4
5287855	Defined_Bond_Stereo_Count	1
5353431	Non-hydrogen_Atom_Count	14
8698	XLogP3	3.8
627	Rotatable_Bond_Count	5
11761584	Covalent_Unit_Count	1
6254	Mono_Isotopic_Weight	395.97220756
6474109	Molecular_Weight	1422.7
86601564	Undefined_Bond_Stereo_Count	0
57053600	Mono_Isotopic_Weight	87.032028402
12867435	Non-hydrogen_Atom_Count	7
15207340	Undefined_Atom_Stereo_Count	1
39212	Tautomer_Count	4
102678	Exact_Mass	580.4222973
44565777	Undefined_Bond_Stereo_Count	0
50901	Rotatable_Bond_Count	10
70686983	Rotatable_Bond_Count	7
25246317	Undefined_Atom_Stereo_Count	4
16683978	Hydrogen_Bond_Acceptor_Count	4
60196366	Hydrogen_Bond_Donor_Count	6
22475	Mono_Isotopic_Weight	360.1582628
93320	Covalent_Unit_Count	1
86256506	Structure_Complexity	87.7
2762887	Isotope_Atom_Count	0
948954	Defined_Atom_Stereo_Count	0
158348	Isotope_Atom_Count	0
556035	Tautomer_Count	1
171296	Hydrogen_Bond_Donor_Count	1
389585	Hydrogen_Bond_Acceptor_Count	6
16211197	Exact_Mass	150.06405680
6433554	Molecular_Weight	1597.6
3871	Molecular_Weight	344.31
23365036	Non-hydrogen_Atom_Count	7
220773	Undefined_Atom_Stereo_Count	0
666418	XLogP3-AA	1.5
8168	Molecular_Weight	213.40
54685047	Molecular_Weight	478.9
398687	Hydrogen_Bond_Acceptor_Count	5
637858	Defined_Bond_Stereo_Count	1
4788	Undefined_Bond_Stereo_Count	0
72679314	TPSA	94.9
123964614	Exact_Mass	94.078250319
54036153	Undefined_Atom_Stereo_Count	0
9526	Undefined_Bond_Stereo_Count	0
65499	Tautomer_Count	1
83703	Rotatable_Bond_Count	0
5684	Hydrogen_Bond_Donor_Count	0
65287	Non-hydrogen_Atom_Count	16
287071	Mono_Isotopic_Weight	111.068413911
7530950	Molecular_Weight	196.29
26058	Exact_Mass	170.203450829
637894	Non-hydrogen_Atom_Count	7
10131269	Defined_Atom_Stereo_Count	2
2796	XLogP3	3.3
44445387	TPSA	79
15084311	Defined_Bond_Stereo_Count	0
400185	Defined_Atom_Stereo_Count	0
68846936	Structure_Complexity	596
542354	Exact_Mass	114.068079557
92292	Non-hydrogen_Atom_Count	15
517121	Isotope_Atom_Count	0
13551	Total_Formal_Charge	0
76241	Isotope_Atom_Count	0
10406	Hydrogen_Bond_Donor_Count	1
151404	Molecular_Weight	69.06
41663	Isotope_Atom_Count	0
8593	Defined_Atom_Stereo_Count	0
19373541	Molecular_Weight	116.07
12606301	Defined_Atom_Stereo_Count	0
2747993	Total_Formal_Charge	0
68662	Isotope_Atom_Count	0
23170707	Isotope_Atom_Count	0
18781684	Isotope_Atom_Count	0
26447	TPSA	17.1
153683405	Covalent_Unit_Count	1
779179	Non-hydrogen_Atom_Count	25
31877	Molecular_Weight	85.10
90916291	Isotope_Atom_Count	0
88142236	Total_Formal_Charge	0
44193577	Exact_Mass	399.11946125
7220	Defined_Bond_Stereo_Count	0
21943184	Molecular_Weight	101.06
21786	Undefined_Bond_Stereo_Count	0
20699949	Hydrogen_Bond_Acceptor_Count	2
448133	Rotatable_Bond_Count	19
11310242	Covalent_Unit_Count	1
46782362	Exact_Mass	446.13339966
19659	Defined_Atom_Stereo_Count	0
39174	Covalent_Unit_Count	3
56631355	TPSA	40.5
54099775	TPSA	46.3
15877745	Defined_Atom_Stereo_Count	0
70308	Defined_Atom_Stereo_Count	0
40537366	Mono_Isotopic_Weight	350.235813585
81233	Rotatable_Bond_Count	5
3260420	Non-hydrogen_Atom_Count	4
64645	Defined_Bond_Stereo_Count	0
20351642	Mono_Isotopic_Weight	254.08171824
2002	Defined_Bond_Stereo_Count	0
7253	XLogP3	1
413546	Covalent_Unit_Count	1
40234	XLogP3	7.2
19360868	Molecular_Weight	120.15
21681979	Structure_Complexity	143
21123938	Hydrogen_Bond_Acceptor_Count	5
23276065	Exact_Mass	362.0144595
451068	Total_Formal_Charge	0
9270	Non-hydrogen_Atom_Count	28
1976	Molecular_Weight	643.6
4796	Non-hydrogen_Atom_Count	33
89374436	Rotatable_Bond_Count	0
102089288	Non-hydrogen_Atom_Count	12
16227342	Undefined_Bond_Stereo_Count	0
83639	Structure_Complexity	224
7756	XLogP3-AA	1.5
89651175	Defined_Atom_Stereo_Count	0
9793733	Defined_Bond_Stereo_Count	0
15741634	Molecular_Weight	101.19
39801	Undefined_Atom_Stereo_Count	0
24721103	Undefined_Atom_Stereo_Count	2
6956334	Undefined_Atom_Stereo_Count	0
361610	Molecular_Weight	293.27
11154544	Defined_Bond_Stereo_Count	0
60678	Covalent_Unit_Count	3
163276613	Rotatable_Bond_Count	1
223441	Hydrogen_Bond_Donor_Count	1
7958	TPSA	17.1
98613	Tautomer_Count	2
20590622	Hydrogen_Bond_Donor_Count	1
23151260	Covalent_Unit_Count	1
17799937	Structure_Complexity	78.1
6125183	TPSA	107
79303108	Undefined_Atom_Stereo_Count	0
54012932	Undefined_Atom_Stereo_Count	2
140830181	Structure_Complexity	96
71453618	Non-hydrogen_Atom_Count	28
15535737	Hydrogen_Bond_Acceptor_Count	2
11048	Covalent_Unit_Count	3
49757967	XLogP3-AA	0.7
44521016	Defined_Atom_Stereo_Count	0
10931394	XLogP3-AA	0.2
25069561	Hydrogen_Bond_Acceptor_Count	9
11710986	Non-hydrogen_Atom_Count	30
10755924	Total_Formal_Charge	0
143035	Isotope_Atom_Count	0
70647795	Exact_Mass	112.088815002
51346964	Covalent_Unit_Count	1
78457	TPSA	72.6
3463	Defined_Bond_Stereo_Count	0
5351489	Rotatable_Bond_Count	2
2585	Hydrogen_Bond_Acceptor_Count	5
59704271	Mono_Isotopic_Weight	1201.84136802
21322953	Hydrogen_Bond_Acceptor_Count	2
164135990	Molecular_Weight	95.14
129655960	Total_Formal_Charge	0
10960920	Undefined_Atom_Stereo_Count	0
136880	Covalent_Unit_Count	1
81890	Molecular_Weight	88.15
16230	Defined_Atom_Stereo_Count	0
72568	Hydrogen_Bond_Acceptor_Count	4
13761352	XLogP3-AA	1.3
21998212	Exact_Mass	101.047678466
92588	Isotope_Atom_Count	0
73949	Tautomer_Count	2
7048611	Undefined_Atom_Stereo_Count	0
55918	Structure_Complexity	347
92162	Non-hydrogen_Atom_Count	5
21058	Structure_Complexity	273
15808	Isotope_Atom_Count	0
9877608	Rotatable_Bond_Count	6
5702160	Total_Formal_Charge	0
13265779	Defined_Bond_Stereo_Count	0
87820	Non-hydrogen_Atom_Count	13
12444627	Tautomer_Count	83
1470	Undefined_Bond_Stereo_Count	0
79309	Mono_Isotopic_Weight	184.0403406
35898	Defined_Bond_Stereo_Count	0
24153	Defined_Atom_Stereo_Count	0
4033	Undefined_Atom_Stereo_Count	0
25209	Undefined_Bond_Stereo_Count	1
71693	Structure_Complexity	303
19994812	Hydrogen_Bond_Acceptor_Count	3
23642	Undefined_Bond_Stereo_Count	0
222284	XLogP3-AA	9.3
13469816	Covalent_Unit_Count	1
73952292	Hydrogen_Bond_Donor_Count	7
5289613	Exact_Mass	234.05282342
14601092	XLogP3	4.3
2042	Isotope_Atom_Count	0
15639205	Hydrogen_Bond_Acceptor_Count	2
146678829	TPSA	0
83795	Mono_Isotopic_Weight	128.094963011
14843146	Total_Formal_Charge	0
5311067	Hydrogen_Bond_Donor_Count	2
94154	Defined_Atom_Stereo_Count	2
17865372	TPSA	77.6
150929	Hydrogen_Bond_Donor_Count	3
4235	Isotope_Atom_Count	0
246206	Total_Formal_Charge	0
69332648	Exact_Mass	112.063662883
9870652	Defined_Atom_Stereo_Count	0
76583	Total_Formal_Charge	0
41653	Defined_Atom_Stereo_Count	16
10113978	Defined_Atom_Stereo_Count	0
7415	Covalent_Unit_Count	1
36209	Tautomer_Count	1
54025313	TPSA	13.1
27212	TPSA	46.5
11616111	TPSA	99
2724552	Hydrogen_Bond_Donor_Count	5
124222212	Rotatable_Bond_Count	3
43558819	Mono_Isotopic_Weight	113.047678466
118990144	Exact_Mass	97.052763847
9983292	Undefined_Atom_Stereo_Count	0
74361	Total_Formal_Charge	0
7570	Hydrogen_Bond_Acceptor_Count	4
13046623	Undefined_Atom_Stereo_Count	0
5546	Defined_Atom_Stereo_Count	0
644109	Covalent_Unit_Count	1
130002904	Undefined_Atom_Stereo_Count	3
146468	Mono_Isotopic_Weight	182.084398327
16052011	Hydrogen_Bond_Acceptor_Count	18
133550157	Isotope_Atom_Count	0
10237369	Undefined_Bond_Stereo_Count	0
89578867	Non-hydrogen_Atom_Count	23
22932	Undefined_Bond_Stereo_Count	0
295261	Undefined_Atom_Stereo_Count	0
7465	XLogP3	2.9
58028426	Hydrogen_Bond_Acceptor_Count	3
2363	Hydrogen_Bond_Donor_Count	1
54071	Undefined_Bond_Stereo_Count	0
1095	Defined_Bond_Stereo_Count	0
70986	Mono_Isotopic_Weight	228.01498
51030898	Defined_Atom_Stereo_Count	1
64149	Total_Formal_Charge	0
88524529	Isotope_Atom_Count	0
14041489	Total_Formal_Charge	0
10275789	Rotatable_Bond_Count	4
131443	Tautomer_Count	1
6018	Rotatable_Bond_Count	4
133429	Covalent_Unit_Count	1
808	TPSA	389
4306558	Exact_Mass	667.19365419
217048	Rotatable_Bond_Count	12
20320770	Structure_Complexity	92.6
1274476	Exact_Mass	99.068413911
130144828	Undefined_Bond_Stereo_Count	0
14090	Defined_Atom_Stereo_Count	0
140956	Non-hydrogen_Atom_Count	13
9601	Total_Formal_Charge	0
9794056	Defined_Atom_Stereo_Count	5
107971	TPSA	146
85542	Total_Formal_Charge	0
115034	Undefined_Atom_Stereo_Count	0
3922	Total_Formal_Charge	0
104902	Hydrogen_Bond_Donor_Count	1
11954316	Defined_Atom_Stereo_Count	0
23277870	Mono_Isotopic_Weight	117.078978594
7385	Non-hydrogen_Atom_Count	12
29352	Mono_Isotopic_Weight	152.083729621
54434340	Isotope_Atom_Count	0
5595	Mono_Isotopic_Weight	284.152477885
194383	Non-hydrogen_Atom_Count	43
16278	Defined_Atom_Stereo_Count	0
123673485	Defined_Atom_Stereo_Count	0
117781134	Isotope_Atom_Count	0
16907	Defined_Bond_Stereo_Count	0
59450	Total_Formal_Charge	1
23354	Hydrogen_Bond_Donor_Count	0
77941	Molecular_Weight	340.5
53494828	Rotatable_Bond_Count	1
9319	Mono_Isotopic_Weight	285.17625028
449381	Hydrogen_Bond_Donor_Count	3
750284	Hydrogen_Bond_Donor_Count	1
2795	Total_Formal_Charge	0
14231	TPSA	40.5
9952773	Mono_Isotopic_Weight	399.14053348
46209194	TPSA	47.1
86761	Hydrogen_Bond_Donor_Count	1
517637	Defined_Bond_Stereo_Count	0
56950732	Total_Formal_Charge	0
10887879	Total_Formal_Charge	0
88494	Non-hydrogen_Atom_Count	5
13157914	Molecular_Weight	120.15
17151	Structure_Complexity	186
43704	Covalent_Unit_Count	1
178144	TPSA	37.7
102242609	Non-hydrogen_Atom_Count	24
4075158	Rotatable_Bond_Count	11
22082547	Hydrogen_Bond_Acceptor_Count	3
657202	Molecular_Weight	282.4
6399253	Hydrogen_Bond_Acceptor_Count	10
6426739	Isotope_Atom_Count	0
3054	TPSA	40.5
443971	Defined_Atom_Stereo_Count	0
11556910	Covalent_Unit_Count	1
62328	Rotatable_Bond_Count	4
3917956	Mono_Isotopic_Weight	199.93472
23653584	Total_Formal_Charge	0
233085	Hydrogen_Bond_Acceptor_Count	4
18233	Molecular_Weight	102.09
14055	Exact_Mass	51.010899036
7532	Hydrogen_Bond_Donor_Count	1
58265166	Hydrogen_Bond_Donor_Count	5
81242	Undefined_Bond_Stereo_Count	0
9547150	Non-hydrogen_Atom_Count	64
18626413	Defined_Bond_Stereo_Count	0
53494828	Undefined_Bond_Stereo_Count	0
51397976	Isotope_Atom_Count	0
19838	Mono_Isotopic_Weight	130.099379685
28506	Mono_Isotopic_Weight	212.094963011
136219154	Defined_Atom_Stereo_Count	0
9935274	Total_Formal_Charge	0
37768	TPSA	332
23616857	Defined_Bond_Stereo_Count	0
946793	Exact_Mass	324.14739250
366	Hydrogen_Bond_Donor_Count	0
5363269	Defined_Atom_Stereo_Count	0
8667	Structure_Complexity	235
642623	TPSA	46.5
7923	Defined_Bond_Stereo_Count	0
158294441	Exact_Mass	116.047344113
14344952	Defined_Bond_Stereo_Count	0
675	Defined_Atom_Stereo_Count	0
11505444	Structure_Complexity	996
162071	Isotope_Atom_Count	0
3336	TPSA	12
637927	Covalent_Unit_Count	1
15273943	Structure_Complexity	82.6
11750009	Non-hydrogen_Atom_Count	29
6067	Exact_Mass	340.19463999
3741	TPSA	200
24883	Molecular_Weight	110.97
90041889	Non-hydrogen_Atom_Count	8
164116	Undefined_Bond_Stereo_Count	0
24857	Isotope_Atom_Count	0
11540045	Defined_Atom_Stereo_Count	0
55290327	Mono_Isotopic_Weight	87.068413911
137249786	Covalent_Unit_Count	1
261166	XLogP3-AA	3.8
101613952	Isotope_Atom_Count	0
44134719	Non-hydrogen_Atom_Count	15
475825	Structure_Complexity	816
101120059	Mono_Isotopic_Weight	268.125200510
5282226	Hydrogen_Bond_Acceptor_Count	9
4570	Defined_Bond_Stereo_Count	0
6800	Rotatable_Bond_Count	1
5311425	Isotope_Atom_Count	0
12524131	Molecular_Weight	110.15
60374	Undefined_Bond_Stereo_Count	0
78099560	Exact_Mass	462.1686514
102161032	Defined_Bond_Stereo_Count	0
28213	Rotatable_Bond_Count	7
123131999	Rotatable_Bond_Count	2
19127	Defined_Atom_Stereo_Count	0
9800194	Exact_Mass	383.09734851
196604	Defined_Bond_Stereo_Count	0
59653	Total_Formal_Charge	0
143588	Rotatable_Bond_Count	1
21158559	Hydrogen_Bond_Donor_Count	2
45285	Non-hydrogen_Atom_Count	20
10058	Isotope_Atom_Count	0
43184	Covalent_Unit_Count	2
9841596	Tautomer_Count	1
68901	TPSA	121
6806	Isotope_Atom_Count	0
71153	Structure_Complexity	370
42608159	Rotatable_Bond_Count	1
79067	Undefined_Bond_Stereo_Count	0
129638548	Total_Formal_Charge	0
54178	Total_Formal_Charge	0
19347790	Molecular_Weight	116.08
8395	Structure_Complexity	492
6943688	Covalent_Unit_Count	1
675	Molecular_Weight	146.19
14975831	Exact_Mass	75.068413911
48654	Defined_Bond_Stereo_Count	0
15182444	Undefined_Bond_Stereo_Count	0
86498	Hydrogen_Bond_Acceptor_Count	8
88898	Isotope_Atom_Count	0
7617	Structure_Complexity	92.1
349711	Hydrogen_Bond_Acceptor_Count	3
10654175	Mono_Isotopic_Weight	97.052763847
53701	Hydrogen_Bond_Acceptor_Count	4
143780	Structure_Complexity	63.4
20836217	Hydrogen_Bond_Donor_Count	0
457831	Defined_Bond_Stereo_Count	0
4438527	Defined_Atom_Stereo_Count	0
5288991	Defined_Atom_Stereo_Count	4
148177	Hydrogen_Bond_Donor_Count	0
517827	Total_Formal_Charge	0
15805370	TPSA	17.1
3000667	Total_Formal_Charge	0
6432418	Defined_Bond_Stereo_Count	0
339079	Non-hydrogen_Atom_Count	16
7156	XLogP3	1.7
5287703	Covalent_Unit_Count	1
11094545	Covalent_Unit_Count	1
72566	Tautomer_Count	1
36131	Hydrogen_Bond_Acceptor_Count	2
14913584	Molecular_Weight	106.13
188350	Undefined_Atom_Stereo_Count	0
143588	Undefined_Bond_Stereo_Count	0
66304	Exact_Mass	154.054751968
6067	Total_Formal_Charge	1
6999030	TPSA	124
4651115	TPSA	112
12318923	Covalent_Unit_Count	1
60150535	Undefined_Atom_Stereo_Count	0
154809629	Undefined_Atom_Stereo_Count	0
636402	Exact_Mass	614.31954243
5311066	Molecular_Weight	416.5
5478817	Structure_Complexity	124
74079	Hydrogen_Bond_Acceptor_Count	4
23630065	Undefined_Atom_Stereo_Count	0
89206022	Hydrogen_Bond_Donor_Count	4
4427	Covalent_Unit_Count	1
897177	Molecular_Weight	349.4
46780152	Structure_Complexity	688
1720	Exact_Mass	212.058577502
89990549	Non-hydrogen_Atom_Count	7
442866	Structure_Complexity	338
10953456	Defined_Atom_Stereo_Count	0
118654527	XLogP3-AA	2.5
444013	Total_Formal_Charge	0
15606546	TPSA	111
15752	Isotope_Atom_Count	0
4008	Undefined_Bond_Stereo_Count	0
57399651	Total_Formal_Charge	0
520277	Covalent_Unit_Count	1
140248	XLogP3-AA	0.1
13207481	TPSA	63.3
3045407	Non-hydrogen_Atom_Count	42
20035	XLogP3	2.6
44033	Non-hydrogen_Atom_Count	23
135392460	Hydrogen_Bond_Acceptor_Count	1
11953895	TPSA	139
5379102	TPSA	29.1
73764	Defined_Bond_Stereo_Count	0
101074209	Defined_Atom_Stereo_Count	15
18711391	Molecular_Weight	122.21
5486198	Isotope_Atom_Count	0
44586930	Covalent_Unit_Count	1
5282398	Non-hydrogen_Atom_Count	43
54311720	Rotatable_Bond_Count	1
89532783	Hydrogen_Bond_Acceptor_Count	3
153085381	TPSA	9.2
6605	Exact_Mass	454.1313794
20096720	Non-hydrogen_Atom_Count	8
6436606	Undefined_Bond_Stereo_Count	0
12623598	Defined_Bond_Stereo_Count	0
87282052	Mono_Isotopic_Weight	103.038176411
74470	Defined_Bond_Stereo_Count	0
5352728	Structure_Complexity	90.9
84442	Covalent_Unit_Count	1
1415	Total_Formal_Charge	0
131954609	XLogP3-AA	5.1
67356	Mono_Isotopic_Weight	509.1282236
5020	Tautomer_Count	268
85912645	Exact_Mass	98.036779430
62810	Covalent_Unit_Count	1
10967532	Rotatable_Bond_Count	1
23381756	XLogP3-AA	0.7
115017	Hydrogen_Bond_Acceptor_Count	0
75821	Covalent_Unit_Count	1
21910271	Undefined_Atom_Stereo_Count	0
66377	Mono_Isotopic_Weight	256.10592162
50857	Exact_Mass	180.126263138
5047019	Exact_Mass	167.03443370
24978553	Undefined_Atom_Stereo_Count	0
46557	Exact_Mass	364.06478
11289	Hydrogen_Bond_Acceptor_Count	3
56955286	Non-hydrogen_Atom_Count	28
141487201	Structure_Complexity	382
730852	Defined_Bond_Stereo_Count	0
414420	TPSA	26.3
150748	Undefined_Atom_Stereo_Count	2
16667669	Hydrogen_Bond_Acceptor_Count	10
15250	Covalent_Unit_Count	1
3015	Molecular_Weight	374.9
22062700	Defined_Atom_Stereo_Count	0
46240	TPSA	41.9
17916	Hydrogen_Bond_Donor_Count	1
71987	Isotope_Atom_Count	0
21123938	Undefined_Bond_Stereo_Count	0
65612	Tautomer_Count	1
146159199	Non-hydrogen_Atom_Count	36
132399083	Undefined_Atom_Stereo_Count	0
153305234	Undefined_Atom_Stereo_Count	4
114880	Exact_Mass	510.30401228
259360	Total_Formal_Charge	0
11073365	Defined_Bond_Stereo_Count	0
121233219	Molecular_Weight	126.18
8449	Covalent_Unit_Count	1
71717902	Exact_Mass	171.08211746
5489029	Structure_Complexity	854
118086727	Hydrogen_Bond_Acceptor_Count	2
45791267	Hydrogen_Bond_Acceptor_Count	3
175534	Undefined_Bond_Stereo_Count	0
6018	Mono_Isotopic_Weight	317.19909372
16994	Exact_Mass	208.12283153
246724	TPSA	18.5
71317097	Hydrogen_Bond_Donor_Count	5
11539751	Covalent_Unit_Count	1
23706211	Defined_Bond_Stereo_Count	0
77574	Covalent_Unit_Count	1
8307	Defined_Bond_Stereo_Count	0
143321	Non-hydrogen_Atom_Count	8
15510	Covalent_Unit_Count	1
398116	Hydrogen_Bond_Donor_Count	0
3651	Rotatable_Bond_Count	2
20583864	Structure_Complexity	70.8
14585707	Undefined_Atom_Stereo_Count	3
70381	Tautomer_Count	2
6564	Hydrogen_Bond_Donor_Count	0
688993	XLogP3	5.3
49968	Total_Formal_Charge	0
10026007	Hydrogen_Bond_Acceptor_Count	8
15535273	Covalent_Unit_Count	1
90735699	Undefined_Atom_Stereo_Count	0
149836	Total_Formal_Charge	0
6437358	Non-hydrogen_Atom_Count	45
68137	Exact_Mass	180.04225873
5287736	Undefined_Bond_Stereo_Count	0
9930121	Structure_Complexity	381
10953443	Undefined_Atom_Stereo_Count	0
2724192	Tautomer_Count	1
57164040	Exact_Mass	645.23224432
129446563	Covalent_Unit_Count	1
20072023	Defined_Bond_Stereo_Count	0
140050359	Non-hydrogen_Atom_Count	8
136070	Rotatable_Bond_Count	0
15684	TPSA	20.2
521280	Defined_Bond_Stereo_Count	0
24775	Molecular_Weight	294.4
57394020	Undefined_Bond_Stereo_Count	0
66602654	Non-hydrogen_Atom_Count	8
22836365	Molecular_Weight	181.15
703128	Exact_Mass	287.15214353
6377	Exact_Mass	57.057849228
3055168	Tautomer_Count	5
110839	Isotope_Atom_Count	0
44201342	Undefined_Atom_Stereo_Count	0
13166771	Hydrogen_Bond_Donor_Count	0
154549233	Hydrogen_Bond_Donor_Count	0
81927	Hydrogen_Bond_Acceptor_Count	4
15178985	Covalent_Unit_Count	1
19540	Hydrogen_Bond_Donor_Count	0
413505	Non-hydrogen_Atom_Count	13
10288191	Tautomer_Count	5
66559017	Rotatable_Bond_Count	4
14920524	XLogP3-AA	0.5
92806	Undefined_Bond_Stereo_Count	0
9939627	Rotatable_Bond_Count	21
32243	Covalent_Unit_Count	1
91747288	Hydrogen_Bond_Acceptor_Count	2
12754	Total_Formal_Charge	0
3478	Covalent_Unit_Count	1
63686	Tautomer_Count	5
141466486	Total_Formal_Charge	0
44207124	Covalent_Unit_Count	1
6919175	Rotatable_Bond_Count	3
12344797	Hydrogen_Bond_Acceptor_Count	2
95005	Structure_Complexity	222
72959169	Undefined_Bond_Stereo_Count	1
15773	Total_Formal_Charge	0
68837	Isotope_Atom_Count	0
11954319	Covalent_Unit_Count	2
135509117	Total_Formal_Charge	0
54382	Undefined_Bond_Stereo_Count	1
9554198	Hydrogen_Bond_Acceptor_Count	3
31283	Isotope_Atom_Count	0
73584	Defined_Atom_Stereo_Count	1
5284580	Tautomer_Count	1
54345713	Total_Formal_Charge	0
1980	Total_Formal_Charge	0
440274	Hydrogen_Bond_Acceptor_Count	4
5308	Defined_Atom_Stereo_Count	0
93556	Defined_Bond_Stereo_Count	0
447379	Covalent_Unit_Count	1
5494414	Hydrogen_Bond_Acceptor_Count	7
547400	TPSA	12.5
20623561	Covalent_Unit_Count	1
170813	XLogP3	4.1
15271454	Structure_Complexity	149
8164	Hydrogen_Bond_Donor_Count	0
59036328	Covalent_Unit_Count	1
14947257	Rotatable_Bond_Count	2
10618	Tautomer_Count	1
9949648	TPSA	41.6
10402	Defined_Bond_Stereo_Count	0
24183644	Undefined_Atom_Stereo_Count	0
2450	Covalent_Unit_Count	1
21917311	Structure_Complexity	293
46187519	Hydrogen_Bond_Donor_Count	1
39650	Total_Formal_Charge	0
102239071	Exact_Mass	75.001473
137	Hydrogen_Bond_Donor_Count	2
129316177	Molecular_Weight	1229.3
446973	Exact_Mass	90.068079557
246511	Molecular_Weight	271.35
66320	Defined_Bond_Stereo_Count	0
89094825	TPSA	18.5
151085	Molecular_Weight	104.15
17860	Exact_Mass	177.126597491
633097	XLogP3	2.5
6401	Hydrogen_Bond_Donor_Count	0
16395512	Exact_Mass	822.40378589
72385	Covalent_Unit_Count	1
156758105	Covalent_Unit_Count	1
17036	Mono_Isotopic_Weight	327.18344366
13032471	Isotope_Atom_Count	0
12823444	XLogP3	2.3
135564773	XLogP3-AA	5.3
15478	Mono_Isotopic_Weight	390.24062418
76964236	Exact_Mass	628.13394
10866282	Undefined_Bond_Stereo_Count	0
18364059	Hydrogen_Bond_Acceptor_Count	2
57238241	Molecular_Weight	92.14
45410	Isotope_Atom_Count	0
58937356	Structure_Complexity	134
1724	Undefined_Bond_Stereo_Count	0
129533	Exact_Mass	254.09027155
2896	Rotatable_Bond_Count	2
6918309	Isotope_Atom_Count	0
3085267	Exact_Mass	274.06636548
11105314	Mono_Isotopic_Weight	97.052763847
20147457	Rotatable_Bond_Count	0
51399572	Undefined_Bond_Stereo_Count	0
43858	Defined_Bond_Stereo_Count	0
156622209	Mono_Isotopic_Weight	98.048012819
7375	Tautomer_Count	1
62802	Hydrogen_Bond_Acceptor_Count	4
23003869	Hydrogen_Bond_Donor_Count	0
14503	Structure_Complexity	165
84589	Hydrogen_Bond_Donor_Count	1
565005	Isotope_Atom_Count	0
11434927	Undefined_Atom_Stereo_Count	0
14018	Covalent_Unit_Count	1
84130	Rotatable_Bond_Count	6
145567316	Undefined_Bond_Stereo_Count	0
11787	Structure_Complexity	160
247470	Molecular_Weight	104.15
85645107	Total_Formal_Charge	0
140409	Defined_Atom_Stereo_Count	0
68234591	Defined_Atom_Stereo_Count	0
70926	Molecular_Weight	213.3
3126	XLogP3-AA	5.8
118010510	Defined_Bond_Stereo_Count	0
3033972	Covalent_Unit_Count	1
13887	Rotatable_Bond_Count	1
12950123	Non-hydrogen_Atom_Count	7
419293	Isotope_Atom_Count	0
23080867	Molecular_Weight	113.11
574613	Molecular_Weight	113.09
69060	Undefined_Bond_Stereo_Count	0
11009	Total_Formal_Charge	0
136589	Hydrogen_Bond_Acceptor_Count	1
1886	Undefined_Bond_Stereo_Count	0
6451144	Tautomer_Count	1
23204	Total_Formal_Charge	0
83763	TPSA	20.2
2192	Molecular_Weight	284.4
74995	Mono_Isotopic_Weight	210.079312947
21302490	Defined_Bond_Stereo_Count	0
61259	Hydrogen_Bond_Acceptor_Count	1
76985	Hydrogen_Bond_Acceptor_Count	2
117807974	Defined_Atom_Stereo_Count	0
5462	Rotatable_Bond_Count	7
9958041	Covalent_Unit_Count	2
44563144	Total_Formal_Charge	0
71316	XLogP3-AA	8.7
18345891	Total_Formal_Charge	0
10180181	Covalent_Unit_Count	1
4470790	Exact_Mass	356.10083623
86278165	Isotope_Atom_Count	0
5281080	Defined_Atom_Stereo_Count	2
89220373	Hydrogen_Bond_Donor_Count	5
5311052	Molecular_Weight	410.9
14208378	Tautomer_Count	1
525424	Covalent_Unit_Count	1
23982	Exact_Mass	157.92411
11077530	TPSA	86
54095609	Defined_Bond_Stereo_Count	0
5020115	Non-hydrogen_Atom_Count	6
9018	Hydrogen_Bond_Donor_Count	1
5635	Isotope_Atom_Count	0
6035	Undefined_Bond_Stereo_Count	0
11554076	Hydrogen_Bond_Donor_Count	1
7088	Defined_Bond_Stereo_Count	0
5315659	Non-hydrogen_Atom_Count	23
19816872	Molecular_Weight	113.11
12262509	Isotope_Atom_Count	0
64247	Isotope_Atom_Count	0
9574101	Mono_Isotopic_Weight	473.26381923
27993	TPSA	89
19029677	Isotope_Atom_Count	0
62739	Undefined_Bond_Stereo_Count	0
2724368	Non-hydrogen_Atom_Count	12
8920	Defined_Atom_Stereo_Count	0
16224456	Tautomer_Count	1
135854412	Covalent_Unit_Count	1
562767	Undefined_Atom_Stereo_Count	1
71312582	Exact_Mass	1264.0493678
92403971	Mono_Isotopic_Weight	420.20088463
5311264	Hydrogen_Bond_Donor_Count	1
645691	Defined_Atom_Stereo_Count	0
86278404	Mono_Isotopic_Weight	180.06338810
963699	Total_Formal_Charge	0
115268	Total_Formal_Charge	0
5624	Defined_Atom_Stereo_Count	0
6746	Exact_Mass	412.370516150
60196286	Isotope_Atom_Count	0
19371857	Total_Formal_Charge	0
92981	Total_Formal_Charge	0
444493	Non-hydrogen_Atom_Count	51
45857	Rotatable_Bond_Count	3
362413	Total_Formal_Charge	0
53683774	Non-hydrogen_Atom_Count	8
76959818	Undefined_Atom_Stereo_Count	0
1491	Isotope_Atom_Count	0
20821286	Isotope_Atom_Count	0
54684598	Covalent_Unit_Count	1
439352	Hydrogen_Bond_Acceptor_Count	4
22328014	Mono_Isotopic_Weight	114.00654193
112214	Molecular_Weight	114.10
135539121	Isotope_Atom_Count	0
3017597	Tautomer_Count	2
39593	Molecular_Weight	220.31
149229	Structure_Complexity	130
705978	Exact_Mass	342.14019912
67638	Undefined_Atom_Stereo_Count	0
4712728	Hydrogen_Bond_Donor_Count	1
5281650	TPSA	96.2
56658438	Hydrogen_Bond_Donor_Count	2
15013749	Isotope_Atom_Count	0
51397006	Structure_Complexity	606
154514950	Defined_Atom_Stereo_Count	0
34794	TPSA	25.8
3488	Defined_Atom_Stereo_Count	0
55284153	Mono_Isotopic_Weight	112.074896272
23661867	Hydrogen_Bond_Donor_Count	0
31639	Undefined_Bond_Stereo_Count	0
60420	Isotope_Atom_Count	0
447482	Non-hydrogen_Atom_Count	24
77580	Hydrogen_Bond_Donor_Count	1
5284648	Exact_Mass	270.05282342
16741	Covalent_Unit_Count	1
489349	Isotope_Atom_Count	0
7659	Defined_Bond_Stereo_Count	0
402869	Defined_Atom_Stereo_Count	0
19600405	Undefined_Atom_Stereo_Count	0
6730	Exact_Mass	280.0057849
10285780	Structure_Complexity	72.5
26690	Defined_Bond_Stereo_Count	0
9909623	Covalent_Unit_Count	1
68682	Molecular_Weight	552.6
14344952	Isotope_Atom_Count	0
25683	Molecular_Weight	224.32
718449	Defined_Atom_Stereo_Count	1
1289	Undefined_Bond_Stereo_Count	0
146158693	Total_Formal_Charge	0
41331	Molecular_Weight	144.12
24180719	Non-hydrogen_Atom_Count	27
145874935	TPSA	110
21670561	Defined_Atom_Stereo_Count	0
10130220	Structure_Complexity	151
12452068	Molecular_Weight	108.14
11597936	Hydrogen_Bond_Donor_Count	1
77463	XLogP3-AA	1.1
30489	Structure_Complexity	115
46841215	Rotatable_Bond_Count	7
9896434	Molecular_Weight	437.4
55288485	TPSA	52.9
20129993	TPSA	46.2
12729	Total_Formal_Charge	0
129806	Mono_Isotopic_Weight	481.16828496
4298216	TPSA	0
123801229	TPSA	29.1
3279	Rotatable_Bond_Count	9
16693	Mono_Isotopic_Weight	187.9795702
23311753	Undefined_Bond_Stereo_Count	0
72187569	Non-hydrogen_Atom_Count	23
66133	Hydrogen_Bond_Donor_Count	0
5293	Structure_Complexity	858
2724640	Total_Formal_Charge	0
18947655	Defined_Atom_Stereo_Count	0
59350891	Undefined_Bond_Stereo_Count	0
2560481	Total_Formal_Charge	0
3034034	Hydrogen_Bond_Acceptor_Count	4
97325	Undefined_Bond_Stereo_Count	0
64294	Covalent_Unit_Count	1
21138	Hydrogen_Bond_Acceptor_Count	3
2734054	Defined_Atom_Stereo_Count	1
13745	Rotatable_Bond_Count	5
8717	TPSA	26
89339	Isotope_Atom_Count	0
712377	Structure_Complexity	160
6327869	Hydrogen_Bond_Acceptor_Count	1
493570	Exact_Mass	376.13828437
14470	Defined_Bond_Stereo_Count	0
141407440	Non-hydrogen_Atom_Count	8
548769	Mono_Isotopic_Weight	93.032697108
54522	XLogP3	3.1
3444	Defined_Bond_Stereo_Count	0
89748954	TPSA	20.2
14274724	Undefined_Bond_Stereo_Count	0
174111	Mono_Isotopic_Weight	194.940932
3081358	Total_Formal_Charge	0
2723719	Non-hydrogen_Atom_Count	47
67513158	Hydrogen_Bond_Acceptor_Count	2
62158	Exact_Mass	242.09027155
104522	Undefined_Atom_Stereo_Count	0
28951015	Undefined_Atom_Stereo_Count	0
398652	Hydrogen_Bond_Donor_Count	0
124769750	Total_Formal_Charge	0
143466591	TPSA	21.6
153088	Hydrogen_Bond_Acceptor_Count	5
18185988	Mono_Isotopic_Weight	84.057514874
12540922	Hydrogen_Bond_Acceptor_Count	1
20385080	Non-hydrogen_Atom_Count	8
10855383	Undefined_Atom_Stereo_Count	0
142350	Rotatable_Bond_Count	1
5282183	Undefined_Bond_Stereo_Count	0
25335	Mono_Isotopic_Weight	199.157228913
5354076	Hydrogen_Bond_Acceptor_Count	2
22833331	Undefined_Atom_Stereo_Count	1
10006	Tautomer_Count	8
77603	TPSA	18.5
134129858	Hydrogen_Bond_Acceptor_Count	7
20314	Non-hydrogen_Atom_Count	8
133698931	Hydrogen_Bond_Acceptor_Count	23
87714	Structure_Complexity	39.2
638144	Defined_Bond_Stereo_Count	1
4426	Rotatable_Bond_Count	4
18471709	Undefined_Atom_Stereo_Count	1
219081	Structure_Complexity	615
202225	Defined_Bond_Stereo_Count	0
437719	Undefined_Atom_Stereo_Count	0
44306490	Undefined_Atom_Stereo_Count	0
57750418	Defined_Atom_Stereo_Count	0
12936897	Covalent_Unit_Count	1
447626	Hydrogen_Bond_Acceptor_Count	1
12248932	Molecular_Weight	115.13
7096	TPSA	15.3
90942710	Total_Formal_Charge	0
54036153	Mono_Isotopic_Weight	111.068413911
60196437	Covalent_Unit_Count	1
11921	Rotatable_Bond_Count	1
68194	XLogP3	0.5
68617	Hydrogen_Bond_Donor_Count	1
10086446	Hydrogen_Bond_Donor_Count	0
54686186	Isotope_Atom_Count	0
130025113	Rotatable_Bond_Count	0
1479778	Rotatable_Bond_Count	2
87079617	Non-hydrogen_Atom_Count	8
72402	Mono_Isotopic_Weight	363.12190603
20774105	Undefined_Atom_Stereo_Count	0
8225	Non-hydrogen_Atom_Count	28
5833	Undefined_Bond_Stereo_Count	0
3033968	Hydrogen_Bond_Donor_Count	1
54760130	Exact_Mass	352.16477390
118318030	Defined_Bond_Stereo_Count	0
144512943	Exact_Mass	100.063662883
1524	Defined_Atom_Stereo_Count	0
443716	Undefined_Atom_Stereo_Count	0
56638112	Defined_Bond_Stereo_Count	0
42539	Molecular_Weight	254.3
5354022	Total_Formal_Charge	0
289031	TPSA	104
9926054	Undefined_Atom_Stereo_Count	0
14712340	Undefined_Bond_Stereo_Count	0
24913	Tautomer_Count	1
14256301	Hydrogen_Bond_Acceptor_Count	3
17807203	Total_Formal_Charge	0
7951	Tautomer_Count	1
59087	Non-hydrogen_Atom_Count	22
23675349	Covalent_Unit_Count	2
88210	XLogP3-AA	6.6
44454986	Hydrogen_Bond_Acceptor_Count	9
126624267	TPSA	190
11215	Hydrogen_Bond_Acceptor_Count	0
12626561	TPSA	44.5
11000	XLogP3	2.6
13224	XLogP3	2.3
7048523	Defined_Bond_Stereo_Count	0
23675746	Molecular_Weight	352.4
2537	Hydrogen_Bond_Acceptor_Count	1
76223995	Hydrogen_Bond_Acceptor_Count	1
20693488	Structure_Complexity	28.7
68840	Hydrogen_Bond_Acceptor_Count	1
927764	Mono_Isotopic_Weight	256.18992602
92840	Tautomer_Count	1
68909	Defined_Bond_Stereo_Count	0
11865437	Hydrogen_Bond_Donor_Count	8
86640	Total_Formal_Charge	0
15208	Undefined_Bond_Stereo_Count	0
13576	Mono_Isotopic_Weight	156.151415257
87901	Hydrogen_Bond_Acceptor_Count	6
20662	Hydrogen_Bond_Acceptor_Count	2
57394836	Covalent_Unit_Count	1
10114130	Molecular_Weight	439.8
44400351	Molecular_Weight	432.5
231934	Undefined_Atom_Stereo_Count	0
112711235	Rotatable_Bond_Count	1
16120	Isotope_Atom_Count	0
110785	Defined_Atom_Stereo_Count	0
54602348	Rotatable_Bond_Count	0
44395089	Exact_Mass	597.30635275
160331	Structure_Complexity	365
115072	Molecular_Weight	248.32
55036	Structure_Complexity	593
101254313	Covalent_Unit_Count	1
91683	Non-hydrogen_Atom_Count	22
658645	Defined_Bond_Stereo_Count	0
145255275	Hydrogen_Bond_Acceptor_Count	1
9815299	Structure_Complexity	154
79905	Mono_Isotopic_Weight	132.09727168
9841	Molecular_Weight	120.12
98876	TPSA	127
8217	Non-hydrogen_Atom_Count	18
3681305	Molecular_Weight	95.979
38235	Defined_Atom_Stereo_Count	0
15496999	Covalent_Unit_Count	1
135398592	Hydrogen_Bond_Donor_Count	4
12089	Structure_Complexity	141
60582	Mono_Isotopic_Weight	272.04669266
1752	Molecular_Weight	220.35
124518033	Defined_Atom_Stereo_Count	0
14966433	Undefined_Atom_Stereo_Count	0
190	Total_Formal_Charge	0
24883	TPSA	0
56626	Undefined_Bond_Stereo_Count	0
9234	Defined_Bond_Stereo_Count	0
97727	Rotatable_Bond_Count	2
12639	Defined_Atom_Stereo_Count	0
5282398	Total_Formal_Charge	0
23663953	Mono_Isotopic_Weight	458.1043004
70729	Molecular_Weight	118.10
12878836	Defined_Bond_Stereo_Count	0
164675904	Hydrogen_Bond_Acceptor_Count	2
7059596	Undefined_Atom_Stereo_Count	0
185792	Hydrogen_Bond_Acceptor_Count	1
74950937	Covalent_Unit_Count	1
8470	Structure_Complexity	31.7
81832	Hydrogen_Bond_Acceptor_Count	5
23863720	Isotope_Atom_Count	0
6673	TPSA	25.1
6752	Undefined_Bond_Stereo_Count	0
23983765	Hydrogen_Bond_Acceptor_Count	3
79946	Defined_Atom_Stereo_Count	0
142834	Exact_Mass	94.078250319
12303662	Mono_Isotopic_Weight	414.386166214
10907	Mono_Isotopic_Weight	114.140850574
9826451	Covalent_Unit_Count	1
24848343	Rotatable_Bond_Count	2
81650	Defined_Atom_Stereo_Count	0
5311398	Isotope_Atom_Count	0
8340	Hydrogen_Bond_Acceptor_Count	5
444000	Hydrogen_Bond_Donor_Count	0
7804	Undefined_Atom_Stereo_Count	0
32801	TPSA	40.5
94412	Hydrogen_Bond_Donor_Count	1
75931	Total_Formal_Charge	0
9556529	Defined_Atom_Stereo_Count	0
2783279	Undefined_Atom_Stereo_Count	0
77011628	Defined_Atom_Stereo_Count	0
12040	Mono_Isotopic_Weight	116.120115130
85673900	Defined_Atom_Stereo_Count	0
15256327	Structure_Complexity	103
148837046	TPSA	64.9
5068681	Mono_Isotopic_Weight	105.078978594
23295738	Defined_Bond_Stereo_Count	0
6321422	Hydrogen_Bond_Donor_Count	0
13176	Exact_Mass	92.062600255
6540298	Undefined_Atom_Stereo_Count	0
25244582	Hydrogen_Bond_Donor_Count	5
33255	Defined_Bond_Stereo_Count	0
124204086	Defined_Bond_Stereo_Count	0
55939	Undefined_Bond_Stereo_Count	0
36312	TPSA	20.2
11660	Molecular_Weight	112.98
1794427	Defined_Atom_Stereo_Count	4
5148195	Mono_Isotopic_Weight	169.110278721
262352	Hydrogen_Bond_Donor_Count	1
8377	Non-hydrogen_Atom_Count	16
25217475	Total_Formal_Charge	0
11108673	Defined_Atom_Stereo_Count	4
31251	Tautomer_Count	1
57687	Molecular_Weight	367.8
20138187	Molecular_Weight	111.11
23724843	Isotope_Atom_Count	0
10308	TPSA	12
52987646	Rotatable_Bond_Count	17
6024	Rotatable_Bond_Count	7
520744	Molecular_Weight	142.24
5516	Molecular_Weight	406.0
94865125	Defined_Atom_Stereo_Count	16
11006945	Undefined_Bond_Stereo_Count	0
566503	Defined_Atom_Stereo_Count	0
1217	Exact_Mass	167.058243149
135499741	Tautomer_Count	5
16667503	Undefined_Bond_Stereo_Count	0
12082850	Total_Formal_Charge	0
12540907	TPSA	37.4
5460588	Defined_Bond_Stereo_Count	0
13853	Mono_Isotopic_Weight	86.073164938
17531	Undefined_Atom_Stereo_Count	0
60196380	Defined_Atom_Stereo_Count	0
46783763	Tautomer_Count	2
39609	Non-hydrogen_Atom_Count	28
45267632	Covalent_Unit_Count	1
65370	Total_Formal_Charge	0
5746414	Hydrogen_Bond_Acceptor_Count	3
45381802	Undefined_Atom_Stereo_Count	0
8520	Hydrogen_Bond_Acceptor_Count	3
18	Undefined_Bond_Stereo_Count	0
148546155	Undefined_Atom_Stereo_Count	0
6597	Hydrogen_Bond_Donor_Count	1
4641	Non-hydrogen_Atom_Count	24
13468167	TPSA	20.2
11584	Defined_Atom_Stereo_Count	0
11469055	Hydrogen_Bond_Donor_Count	0
17992	Undefined_Atom_Stereo_Count	0
19816560	Undefined_Atom_Stereo_Count	1
259821	Undefined_Bond_Stereo_Count	0
550030	Exact_Mass	138.104465066
93205	Hydrogen_Bond_Acceptor_Count	8
439182	Molecular_Weight	251.24
9548801	Hydrogen_Bond_Donor_Count	8
57750312	Covalent_Unit_Count	1
156417	Mono_Isotopic_Weight	765.42004509
518455	Non-hydrogen_Atom_Count	8
60503	Hydrogen_Bond_Acceptor_Count	2
5962	Hydrogen_Bond_Acceptor_Count	4
19017820	Defined_Bond_Stereo_Count	0
58084	XLogP3-AA	2.6
65531	Structure_Complexity	126
51	Molecular_Weight	146.10
27522	Molecular_Weight	576.3
16371051	XLogP3	3.1
239041	Rotatable_Bond_Count	0
56971	XLogP3-AA	1.5
1376	Defined_Bond_Stereo_Count	0
1883	Defined_Bond_Stereo_Count	0
123650722	Non-hydrogen_Atom_Count	47
67532	Mono_Isotopic_Weight	336.89492
21190979	Rotatable_Bond_Count	3
6619	Non-hydrogen_Atom_Count	21
292283	Undefined_Atom_Stereo_Count	0
3045407	Undefined_Bond_Stereo_Count	0
10428048	XLogP3-AA	5.5
451156	Undefined_Bond_Stereo_Count	0
83569	Rotatable_Bond_Count	3
51138321	Defined_Bond_Stereo_Count	0
10197646	Defined_Atom_Stereo_Count	0
94215	Non-hydrogen_Atom_Count	8
66376	Mono_Isotopic_Weight	132.90591
21889100	Hydrogen_Bond_Acceptor_Count	4
53846435	Isotope_Atom_Count	0
135459971	Defined_Atom_Stereo_Count	0
30065	Mono_Isotopic_Weight	261.172878976
41892	Hydrogen_Bond_Donor_Count	1
105084	TPSA	24.9
6444037	Undefined_Atom_Stereo_Count	0
682529	Undefined_Bond_Stereo_Count	0
14494975	Structure_Complexity	138
408536	TPSA	23.5
16212479	Hydrogen_Bond_Acceptor_Count	7
9895	Rotatable_Bond_Count	1
24066	Hydrogen_Bond_Donor_Count	2
5352435	Isotope_Atom_Count	0
529278	Hydrogen_Bond_Donor_Count	0
21883050	Isotope_Atom_Count	0
6580	Rotatable_Bond_Count	1
444	Tautomer_Count	2
139105	Isotope_Atom_Count	0
119185	Total_Formal_Charge	0
15057	Covalent_Unit_Count	2
62479	Molecular_Weight	390.44
15983988	Non-hydrogen_Atom_Count	26
16078	Non-hydrogen_Atom_Count	23
77674	Hydrogen_Bond_Acceptor_Count	1
46911956	TPSA	21.3
3047822	Hydrogen_Bond_Acceptor_Count	4
67371	Total_Formal_Charge	0
94294	Hydrogen_Bond_Donor_Count	1
537148	Hydrogen_Bond_Acceptor_Count	1
4997	Molecular_Weight	247.33
10453870	Structure_Complexity	525
123481823	Covalent_Unit_Count	1
101926676	Covalent_Unit_Count	1
20062226	Total_Formal_Charge	0
24766296	Defined_Atom_Stereo_Count	0
94675	Rotatable_Bond_Count	3
427842	Covalent_Unit_Count	1
11337	Undefined_Atom_Stereo_Count	4
20697439	Structure_Complexity	88.5
52947103	Total_Formal_Charge	0
549253	Total_Formal_Charge	0
47576	XLogP3	4.3
34296	Mono_Isotopic_Weight	112.03467143
62786	Molecular_Weight	231.72
12385252	Isotope_Atom_Count	0
21549213	Mono_Isotopic_Weight	102.068079557
19370943	Non-hydrogen_Atom_Count	8
25006	Hydrogen_Bond_Acceptor_Count	1
90736069	Hydrogen_Bond_Donor_Count	2
60196261	Undefined_Bond_Stereo_Count	0
12369	Total_Formal_Charge	0
2756	Undefined_Atom_Stereo_Count	0
11083834	Structure_Complexity	76.1
6440397	Non-hydrogen_Atom_Count	22
89342	Exact_Mass	86.084398327
59277765	Defined_Atom_Stereo_Count	0
139062527	Structure_Complexity	368
135403803	Undefined_Atom_Stereo_Count	0
77572	Exact_Mass	104.029356028
127928	Total_Formal_Charge	0
53346491	Hydrogen_Bond_Acceptor_Count	4
410806	Isotope_Atom_Count	0
197344	Molecular_Weight	352.79
3625248	Rotatable_Bond_Count	0
33657234	Isotope_Atom_Count	0
5143	Molecular_Weight	183.19
20793238	Non-hydrogen_Atom_Count	7
54692246	Hydrogen_Bond_Acceptor_Count	5
453131	XLogP3	0.9
25674	Defined_Atom_Stereo_Count	1
841462	Exact_Mass	333.0390411
11564168	Undefined_Bond_Stereo_Count	0
139080230	Molecular_Weight	446.4
66707439	Hydrogen_Bond_Acceptor_Count	6
54726192	Undefined_Atom_Stereo_Count	0
5370052	Exact_Mass	208.146329876
57459334	Structure_Complexity	48.1
71476	Undefined_Bond_Stereo_Count	0
23690206	Defined_Atom_Stereo_Count	13
163872483	Undefined_Bond_Stereo_Count	0
763	Covalent_Unit_Count	1
3437714	Defined_Bond_Stereo_Count	0
145755	TPSA	77.8
134812007	Rotatable_Bond_Count	1
12556904	Mono_Isotopic_Weight	116.083729621
10034579	Undefined_Bond_Stereo_Count	0
154262592	Rotatable_Bond_Count	1
57660	Covalent_Unit_Count	1
90806020	Undefined_Bond_Stereo_Count	0
56668950	Covalent_Unit_Count	1
83303	Exact_Mass	112.052429494
73166146	Non-hydrogen_Atom_Count	7
13612132	Defined_Bond_Stereo_Count	0
8281	Non-hydrogen_Atom_Count	17
13317841	TPSA	37.3
71541192	Total_Formal_Charge	0
14145	Total_Formal_Charge	0
18771155	Structure_Complexity	304
158506	Rotatable_Bond_Count	4
30973	Molecular_Weight	305.26
1329	Exact_Mass	304.18992602
23663976	Mono_Isotopic_Weight	433.16653072
20508	Defined_Atom_Stereo_Count	0
54891	Non-hydrogen_Atom_Count	33
150718	Exact_Mass	292.121177757
23682187	Rotatable_Bond_Count	5
449293	Isotope_Atom_Count	0
3045381	Hydrogen_Bond_Acceptor_Count	6
54077	TPSA	83.2
6420010	Hydrogen_Bond_Acceptor_Count	8
102657	Rotatable_Bond_Count	2
75548	Isotope_Atom_Count	0
1013376	Non-hydrogen_Atom_Count	26
10034060	Isotope_Atom_Count	0
90444	Non-hydrogen_Atom_Count	25
21873275	Isotope_Atom_Count	0
46936900	Mono_Isotopic_Weight	485.27536898
3685	Exact_Mass	497.16858144
74879	Structure_Complexity	224
7007	Structure_Complexity	219
8663	XLogP3	2.7
75372	TPSA	9.2
5353422	Hydrogen_Bond_Donor_Count	1
498158	Hydrogen_Bond_Donor_Count	4
33925	Undefined_Atom_Stereo_Count	0
145994868	Total_Formal_Charge	0
11954321	Exact_Mass	251.06545379
44483332	Molecular_Weight	688.8
59350891	Exact_Mass	92.062600255
146049044	Structure_Complexity	96.3
651720	Total_Formal_Charge	0
28346	Structure_Complexity	432
104607	Defined_Atom_Stereo_Count	0
21354291	Structure_Complexity	138
5364752	Exact_Mass	84.057514874
42710	Total_Formal_Charge	0
13609305	Defined_Atom_Stereo_Count	0
58506875	Structure_Complexity	414
65013	Mono_Isotopic_Weight	302.16304257
2724103	Isotope_Atom_Count	0
123133899	Structure_Complexity	1420
739236	Exact_Mass	239.131014166
6971047	Defined_Bond_Stereo_Count	0
2582	Undefined_Atom_Stereo_Count	0
69437	Exact_Mass	332.156500638
106824195	Hydrogen_Bond_Donor_Count	0
74062	Mono_Isotopic_Weight	255.98876
391974	Total_Formal_Charge	0
2724159	Mono_Isotopic_Weight	150.104465066
2142	TPSA	332
57565697	Defined_Atom_Stereo_Count	0
10510831	TPSA	27
12562198	Defined_Bond_Stereo_Count	0
333850	Non-hydrogen_Atom_Count	16
13082758	Defined_Atom_Stereo_Count	0
4952	Tautomer_Count	25
155742	Defined_Atom_Stereo_Count	0
20058737	TPSA	41.1
18504387	Molecular_Weight	82.10
77930	Defined_Bond_Stereo_Count	0
54422686	Hydrogen_Bond_Donor_Count	1
3050428	Covalent_Unit_Count	1
153986581	XLogP3-AA	0.1
6537505	Tautomer_Count	1
129627537	Mono_Isotopic_Weight	1354.567399
19819	Hydrogen_Bond_Donor_Count	0
55246	TPSA	87.9
143184805	Defined_Atom_Stereo_Count	0
656829	Tautomer_Count	1
469	Defined_Atom_Stereo_Count	0
29256	Undefined_Bond_Stereo_Count	0
94021	Total_Formal_Charge	0
315165	Hydrogen_Bond_Donor_Count	1
9797657	Exact_Mass	295.11839862
158525	Defined_Atom_Stereo_Count	0
91100506	Structure_Complexity	75.3
87424384	Total_Formal_Charge	0
6454774	Total_Formal_Charge	0
60196327	Covalent_Unit_Count	2
90281906	Total_Formal_Charge	0
1565	Structure_Complexity	308
9217	Rotatable_Bond_Count	0
409	Non-hydrogen_Atom_Count	13
6558	Rotatable_Bond_Count	1
87826555	Defined_Atom_Stereo_Count	0
1993	Isotope_Atom_Count	0
16219471	Rotatable_Bond_Count	2
71583603	Molecular_Weight	397.5
443408	XLogP3	3.6
54276448	XLogP3-AA	0.7
14825	Total_Formal_Charge	0
386	Molecular_Weight	1062.1
61918	Defined_Atom_Stereo_Count	0
7527	Hydrogen_Bond_Acceptor_Count	1
11829373	Undefined_Bond_Stereo_Count	0
57992058	Undefined_Bond_Stereo_Count	0
55241	Rotatable_Bond_Count	7
21884	Mono_Isotopic_Weight	147.068413911
12148	Covalent_Unit_Count	1
11701	Non-hydrogen_Atom_Count	10
175533	Non-hydrogen_Atom_Count	34
8491	Covalent_Unit_Count	1
10321331	Exact_Mass	191.0753733
136420	Non-hydrogen_Atom_Count	23
41022	Undefined_Atom_Stereo_Count	1
6326976	Mono_Isotopic_Weight	143.93774716
57751145	Hydrogen_Bond_Donor_Count	1
20702319	Structure_Complexity	111
4858	Rotatable_Bond_Count	3
22038	Molecular_Weight	428.6
528612	Exact_Mass	113.084063974
82650926	Total_Formal_Charge	0
9867605	Hydrogen_Bond_Donor_Count	2
3609	Hydrogen_Bond_Donor_Count	8
40159	Exact_Mass	390.0789499
77011628	Molecular_Weight	101.10
813505	TPSA	91.3
2734161	Isotope_Atom_Count	0
17806	Defined_Bond_Stereo_Count	0
61247	Non-hydrogen_Atom_Count	7
2734680	Total_Formal_Charge	0
56955070	Molecular_Weight	368.4
13117013	Covalent_Unit_Count	1
53631526	Exact_Mass	113.047678466
22829	Undefined_Bond_Stereo_Count	0
265370	Covalent_Unit_Count	1
23471	TPSA	32.7
5392139	Hydrogen_Bond_Donor_Count	1
20207	Defined_Atom_Stereo_Count	0
71517867	Defined_Atom_Stereo_Count	1
71348	Mono_Isotopic_Weight	1155.48815915
78170	Total_Formal_Charge	0
9852176	Defined_Atom_Stereo_Count	2
12287	Defined_Atom_Stereo_Count	0
10855428	Isotope_Atom_Count	0
73154880	TPSA	27.8
65576866	Rotatable_Bond_Count	1
73847	Hydrogen_Bond_Donor_Count	0
57217341	Total_Formal_Charge	0
19736124	Undefined_Atom_Stereo_Count	0
23274061	Total_Formal_Charge	0
135505	Molecular_Weight	243.35
159384	Defined_Atom_Stereo_Count	0
7390	Defined_Atom_Stereo_Count	0
641245	Hydrogen_Bond_Acceptor_Count	0
71526	Exact_Mass	307.17317627
465585	Molecular_Weight	582.7
17754007	Mono_Isotopic_Weight	200.04962974
15190	Non-hydrogen_Atom_Count	32
7662	Mono_Isotopic_Weight	206.130679813
14520	Undefined_Bond_Stereo_Count	0
95292	Isotope_Atom_Count	0
66711	Exact_Mass	238.134422523
81902	Exact_Mass	184.0654927
6441385	XLogP3	5.5
70687387	TPSA	91.9
8736	Hydrogen_Bond_Donor_Count	1
72281	Covalent_Unit_Count	1
135471308	Structure_Complexity	257
182976	Isotope_Atom_Count	0
449015	Isotope_Atom_Count	0
28327	Covalent_Unit_Count	3
11251803	Structure_Complexity	2320
77662	Structure_Complexity	170
23663977	Hydrogen_Bond_Donor_Count	2
68321924	Non-hydrogen_Atom_Count	26
3014096	XLogP3	2.8
15335183	Hydrogen_Bond_Acceptor_Count	2
9869218	Hydrogen_Bond_Donor_Count	2
23335676	Isotope_Atom_Count	0
12441597	Non-hydrogen_Atom_Count	8
5360970	Defined_Atom_Stereo_Count	6
71648	XLogP3	1.3
127748	Tautomer_Count	8
9434	Isotope_Atom_Count	0
36821	Hydrogen_Bond_Donor_Count	0
317677	Rotatable_Bond_Count	2
1130	Undefined_Atom_Stereo_Count	0
21058	Total_Formal_Charge	0
59398673	XLogP3-AA	0.1
44368	Non-hydrogen_Atom_Count	21
24848201	Defined_Bond_Stereo_Count	0
58640	Undefined_Atom_Stereo_Count	1
10606708	Hydrogen_Bond_Acceptor_Count	3
25133630	Undefined_Bond_Stereo_Count	0
89456730	Hydrogen_Bond_Acceptor_Count	2
4141306	TPSA	133
21563	Molecular_Weight	245.32
17019	Non-hydrogen_Atom_Count	16
4345065	Exact_Mass	872.44457755
3639	Non-hydrogen_Atom_Count	17
1382059	Rotatable_Bond_Count	1
443295	Total_Formal_Charge	0
45039680	Total_Formal_Charge	0
69317	Defined_Bond_Stereo_Count	0
9948894	Non-hydrogen_Atom_Count	22
55416	XLogP3-AA	3.2
13511141	Structure_Complexity	274
12358851	Defined_Atom_Stereo_Count	3
57345538	Undefined_Atom_Stereo_Count	0
2116	Non-hydrogen_Atom_Count	31
23663973	Molecular_Weight	255.23
13245	Non-hydrogen_Atom_Count	13
54746	Undefined_Atom_Stereo_Count	0
13023574	Hydrogen_Bond_Donor_Count	3
6077	Structure_Complexity	414
137747	Tautomer_Count	1
15884	Structure_Complexity	169
11369	Defined_Atom_Stereo_Count	0
1611	TPSA	191
4055843	Exact_Mass	238.062994177
79005	Non-hydrogen_Atom_Count	5
10614	Hydrogen_Bond_Donor_Count	0
24766297	Structure_Complexity	776
34409	Molecular_Weight	352.3
71140	Exact_Mass	256.10341969
21246587	Undefined_Bond_Stereo_Count	0
188267	Defined_Atom_Stereo_Count	0
63181514	Defined_Bond_Stereo_Count	0
66935111	Exact_Mass	101.084063974
125127450	Molecular_Weight	665.7
14146878	Defined_Bond_Stereo_Count	0
6918637	Undefined_Atom_Stereo_Count	0
135027	Mono_Isotopic_Weight	297.209264485
19083156	Total_Formal_Charge	0
6538998	Undefined_Bond_Stereo_Count	0
15765799	Isotope_Atom_Count	0
11007862	Defined_Bond_Stereo_Count	0
20782671	Undefined_Atom_Stereo_Count	0
71679077	Rotatable_Bond_Count	6
5311429	Undefined_Atom_Stereo_Count	0
13451951	Hydrogen_Bond_Donor_Count	0
11281445	Mono_Isotopic_Weight	415.17433553
11608786	Undefined_Atom_Stereo_Count	0
9162	XLogP3	7
20061	Defined_Bond_Stereo_Count	0
65546	Mono_Isotopic_Weight	151.099714038
147577	XLogP3-AA	3.9
446998	Structure_Complexity	307
64218	Covalent_Unit_Count	1
1382059	Undefined_Bond_Stereo_Count	0
9518	Undefined_Atom_Stereo_Count	0
6914605	Rotatable_Bond_Count	6
53465913	Total_Formal_Charge	0
62902	Molecular_Weight	144.21
984396	Rotatable_Bond_Count	8
10413	Non-hydrogen_Atom_Count	7
10258	Tautomer_Count	5
40589	Non-hydrogen_Atom_Count	26
134694951	Covalent_Unit_Count	2
5323606	Molecular_Weight	96.13
66603137	Defined_Bond_Stereo_Count	0
65600	Total_Formal_Charge	0
70580528	Structure_Complexity	773
18622350	Isotope_Atom_Count	0
978766	Covalent_Unit_Count	1
4507	Tautomer_Count	5
14536538	Hydrogen_Bond_Acceptor_Count	4
11332430	Mono_Isotopic_Weight	109.063997236
85065	Undefined_Bond_Stereo_Count	0
30771	Covalent_Unit_Count	1
6435836	Defined_Atom_Stereo_Count	0
4679699	Defined_Atom_Stereo_Count	0
10993	XLogP3-AA	1.3
5360516	XLogP3	2.9
8217	Undefined_Bond_Stereo_Count	0
3082532	Non-hydrogen_Atom_Count	24
90703052	Hydrogen_Bond_Donor_Count	0
135421783	Molecular_Weight	895.9
22353151	Rotatable_Bond_Count	6
9570376	Hydrogen_Bond_Acceptor_Count	4
444	Non-hydrogen_Atom_Count	16
101080369	Structure_Complexity	2.8
75194	Non-hydrogen_Atom_Count	30
154225133	Defined_Bond_Stereo_Count	0
25818	Isotope_Atom_Count	0
235090	Tautomer_Count	2
6971070	Defined_Atom_Stereo_Count	0
13695806	Defined_Bond_Stereo_Count	0
192925	Rotatable_Bond_Count	1
2229	Tautomer_Count	1
135418174	Rotatable_Bond_Count	2
441451	Isotope_Atom_Count	0
14296346	Undefined_Bond_Stereo_Count	0
135446210	Defined_Bond_Stereo_Count	0
20056978	Defined_Atom_Stereo_Count	2
36660	Total_Formal_Charge	0
10189783	Isotope_Atom_Count	0
668390	Defined_Atom_Stereo_Count	0
71115	TPSA	28.5
6869	Non-hydrogen_Atom_Count	24
12599701	Undefined_Bond_Stereo_Count	0
8573	Defined_Bond_Stereo_Count	0
1640	Hydrogen_Bond_Acceptor_Count	2
5360886	Non-hydrogen_Atom_Count	20
5948958	XLogP3-AA	6.4
22878123	Structure_Complexity	250
88462	Mono_Isotopic_Weight	230.11676108
5386	Non-hydrogen_Atom_Count	14
82593534	Undefined_Atom_Stereo_Count	0
9964101	TPSA	80.4
153519852	Rotatable_Bond_Count	2
83322	TPSA	97.6
10867835	Total_Formal_Charge	0
907178	Defined_Bond_Stereo_Count	0
138349	Structure_Complexity	127
11184839	Hydrogen_Bond_Donor_Count	1
14842863	Mono_Isotopic_Weight	351.15426879
80717	Mono_Isotopic_Weight	260.01030715
9832383	XLogP3-AA	4.7
77663	Defined_Bond_Stereo_Count	0
51605	Molecular_Weight	301.34
79173	Mono_Isotopic_Weight	174.107606347
564996	Mono_Isotopic_Weight	270.02554
5534	Hydrogen_Bond_Donor_Count	0
8418	Undefined_Bond_Stereo_Count	0
2877	Structure_Complexity	330
642	Hydrogen_Bond_Donor_Count	9
11153672	Covalent_Unit_Count	1
163488608	Structure_Complexity	113
91933845	Hydrogen_Bond_Acceptor_Count	7
164695	Non-hydrogen_Atom_Count	20
149164080	Hydrogen_Bond_Acceptor_Count	1
11377266	Exact_Mass	652.25532631
24020	Undefined_Bond_Stereo_Count	0
5284517	Isotope_Atom_Count	0
165295	Total_Formal_Charge	0
74080	TPSA	47.6
53038	Total_Formal_Charge	0
17946	XLogP3	2.9
135515430	Hydrogen_Bond_Donor_Count	1
58137170	Hydrogen_Bond_Acceptor_Count	8
21719780	XLogP3-AA	1
70308	Hydrogen_Bond_Donor_Count	0
131842051	Defined_Atom_Stereo_Count	4
30039	Exact_Mass	296.1291556
13039	Tautomer_Count	3
67497	Tautomer_Count	1
4201	Undefined_Atom_Stereo_Count	0
11911	Defined_Bond_Stereo_Count	0
10627323	Defined_Atom_Stereo_Count	0
18509379	Defined_Atom_Stereo_Count	0
13521	Rotatable_Bond_Count	9
690730	Rotatable_Bond_Count	1
8345	TPSA	71.1
12343	Undefined_Bond_Stereo_Count	0
137264	Covalent_Unit_Count	1
61743	Defined_Atom_Stereo_Count	0
3475	Hydrogen_Bond_Donor_Count	2
3265	Isotope_Atom_Count	0
21917690	TPSA	27.7
90475112	Exact_Mass	406.1811912
11655511	Non-hydrogen_Atom_Count	33
69932654	Structure_Complexity	76.8
69932654	Non-hydrogen_Atom_Count	8
91558991	Covalent_Unit_Count	1
57417608	Undefined_Bond_Stereo_Count	0
5710148	Tautomer_Count	1
9853053	Isotope_Atom_Count	0
694856	Rotatable_Bond_Count	1
23674	Defined_Bond_Stereo_Count	0
40468	Rotatable_Bond_Count	1
62445	TPSA	26.3
8205	Undefined_Atom_Stereo_Count	0
699414	Defined_Bond_Stereo_Count	1
359379	Undefined_Bond_Stereo_Count	0
20502	TPSA	46.7
18363526	Rotatable_Bond_Count	0
19016756	Hydrogen_Bond_Donor_Count	3
4593	Defined_Bond_Stereo_Count	0
636857	Exact_Mass	479.24202116
864	Molecular_Weight	206.3
35802	Non-hydrogen_Atom_Count	23
71456995	Hydrogen_Bond_Acceptor_Count	16
19962896	Exact_Mass	96.068748264
137151	Mono_Isotopic_Weight	96.057514874
229126	Rotatable_Bond_Count	4
24699	Defined_Atom_Stereo_Count	0
7851	Defined_Bond_Stereo_Count	0
17840535	Exact_Mass	85.089149355
86472	Defined_Bond_Stereo_Count	0
18467387	Hydrogen_Bond_Acceptor_Count	2
56296	Defined_Bond_Stereo_Count	0
692791	Defined_Atom_Stereo_Count	1
12625720	Undefined_Atom_Stereo_Count	2
69852	Non-hydrogen_Atom_Count	10
84068	Undefined_Atom_Stereo_Count	19
66684067	Undefined_Atom_Stereo_Count	1
130802	Hydrogen_Bond_Donor_Count	1
423792	Hydrogen_Bond_Acceptor_Count	3
10446567	Undefined_Atom_Stereo_Count	0
10113430	XLogP3-AA	4.5
51357127	Structure_Complexity	614
135410914	Hydrogen_Bond_Acceptor_Count	2
72266	Exact_Mass	295.12805404
57396865	Exact_Mass	360.18492083
53313171	Undefined_Bond_Stereo_Count	0
87754	Molecular_Weight	215.04
9223	Hydrogen_Bond_Acceptor_Count	1
44401271	Covalent_Unit_Count	1
3858	Hydrogen_Bond_Donor_Count	2
163628725	Undefined_Atom_Stereo_Count	1
611370	Isotope_Atom_Count	0
91169276	XLogP3-AA	0.1
91089723	Non-hydrogen_Atom_Count	7
10037	Undefined_Atom_Stereo_Count	0
36457	TPSA	182
98177686	Non-hydrogen_Atom_Count	20
9387	Hydrogen_Bond_Acceptor_Count	18
121207424	Isotope_Atom_Count	0
5289388	Isotope_Atom_Count	0
22848362	Exact_Mass	361.0328700
129693502	Non-hydrogen_Atom_Count	29
24870	Isotope_Atom_Count	0
23471	Covalent_Unit_Count	1
673664	Isotope_Atom_Count	0
77129	Defined_Atom_Stereo_Count	0
2216	Structure_Complexity	247
123610	Structure_Complexity	1520
38035	Hydrogen_Bond_Acceptor_Count	0
40945	Covalent_Unit_Count	1
963424	Hydrogen_Bond_Donor_Count	1
12285879	Hydrogen_Bond_Acceptor_Count	6
963715	Hydrogen_Bond_Donor_Count	1
5310993	Undefined_Bond_Stereo_Count	0
67278	Hydrogen_Bond_Donor_Count	1
165339	Structure_Complexity	86.6
88069	Hydrogen_Bond_Acceptor_Count	3
10772937	Undefined_Atom_Stereo_Count	1
18980946	Isotope_Atom_Count	0
10813807	XLogP3-AA	1
718862	Non-hydrogen_Atom_Count	20
8857	TPSA	26.3
91700388	Defined_Bond_Stereo_Count	0
19601937	XLogP3-AA	14.6
42948	Rotatable_Bond_Count	1
11831	Total_Formal_Charge	0
76970981	Rotatable_Bond_Count	6
79178156	Molecular_Weight	100.12
5748361	Rotatable_Bond_Count	9
84063980	Defined_Bond_Stereo_Count	0
39860	Structure_Complexity	524
919792	Total_Formal_Charge	0
25203188	Rotatable_Bond_Count	6
7161	TPSA	35.5
7403	Undefined_Atom_Stereo_Count	0
11768576	Covalent_Unit_Count	1
25271892	Covalent_Unit_Count	1
213039	Hydrogen_Bond_Donor_Count	3
50990009	Non-hydrogen_Atom_Count	30
123537454	XLogP3-AA	2.1
263608	Molecular_Weight	161.20
12691392	Undefined_Atom_Stereo_Count	0
92649	Isotope_Atom_Count	0
22157549	Mono_Isotopic_Weight	389.0711249
126843179	Defined_Bond_Stereo_Count	2
91418	Isotope_Atom_Count	0
1999	Defined_Bond_Stereo_Count	0
969108	Mono_Isotopic_Weight	301.17902698
70355	Non-hydrogen_Atom_Count	15
11957468	Structure_Complexity	805
46783800	Total_Formal_Charge	0
11416891	Non-hydrogen_Atom_Count	23
62829	Molecular_Weight	302.4
6010	Hydrogen_Bond_Acceptor_Count	2
94630	Non-hydrogen_Atom_Count	5
10928	Non-hydrogen_Atom_Count	6
253878	Defined_Atom_Stereo_Count	0
115011064	Mono_Isotopic_Weight	114.068079557
53846425	Hydrogen_Bond_Donor_Count	3
2724333	Molecular_Weight	176.12
7119	Defined_Atom_Stereo_Count	0
23725095	Undefined_Atom_Stereo_Count	0
6763	Molecular_Weight	208.21
9832383	Structure_Complexity	679
53420035	Rotatable_Bond_Count	0
5497195	XLogP3-AA	7.5
11590255	Rotatable_Bond_Count	7
16987	Mono_Isotopic_Weight	251.9937843
5282045	Non-hydrogen_Atom_Count	55
57392505	Molecular_Weight	463.5
60196372	Mono_Isotopic_Weight	217.977562
19877808	Undefined_Bond_Stereo_Count	0
19595920	Rotatable_Bond_Count	0
9794056	Hydrogen_Bond_Donor_Count	5
23422066	Mono_Isotopic_Weight	162.05416083
70689318	Defined_Bond_Stereo_Count	0
55289602	Hydrogen_Bond_Donor_Count	1
439	Non-hydrogen_Atom_Count	12
593919	Mono_Isotopic_Weight	200.94254
10290754	Defined_Bond_Stereo_Count	0
8657	Mono_Isotopic_Weight	134.109550447
11974213	Isotope_Atom_Count	0
15180	Non-hydrogen_Atom_Count	17
11432307	Undefined_Bond_Stereo_Count	0
635	Mono_Isotopic_Weight	214.02423968
17764882	Undefined_Bond_Stereo_Count	0
79123	XLogP3-AA	1.8
3440	Mono_Isotopic_Weight	330.0077203
274075	Covalent_Unit_Count	1
16158208	Total_Formal_Charge	0
44472831	Structure_Complexity	382
101605498	XLogP3	1
71584166	Undefined_Atom_Stereo_Count	0
89292361	Mono_Isotopic_Weight	100.100048391
5903	Structure_Complexity	752
13002	Mono_Isotopic_Weight	72.021129366
44119936	Isotope_Atom_Count	0
57341	XLogP3-AA	4.8
701923	Defined_Atom_Stereo_Count	1
44458766	Molecular_Weight	275.3
60710317	Defined_Atom_Stereo_Count	0
122362413	TPSA	202
146157455	Total_Formal_Charge	0
24721103	Isotope_Atom_Count	0
129669846	Structure_Complexity	1330
471895	Structure_Complexity	752
3991	Structure_Complexity	271
71343993	Mono_Isotopic_Weight	103.063328530
687818	Hydrogen_Bond_Donor_Count	2
20232381	Non-hydrogen_Atom_Count	6
9116	Defined_Atom_Stereo_Count	0
144891979	XLogP3-AA	0.8
5222844	Hydrogen_Bond_Donor_Count	1
20984	XLogP3-AA	0.4
31193	Defined_Bond_Stereo_Count	0
11851	Mono_Isotopic_Weight	178.04773803
15475283	Hydrogen_Bond_Acceptor_Count	1
147285	Hydrogen_Bond_Acceptor_Count	2
6740	Mono_Isotopic_Weight	171.0087061
6918076	Covalent_Unit_Count	1
11870241	Rotatable_Bond_Count	3
5310805	Hydrogen_Bond_Acceptor_Count	5
289085	TPSA	108
24868320	Hydrogen_Bond_Acceptor_Count	7
542215	Undefined_Bond_Stereo_Count	0
534954	Total_Formal_Charge	0
11906	XLogP3	3.2
77991	Rotatable_Bond_Count	5
4402648	Hydrogen_Bond_Donor_Count	2
560256	Defined_Bond_Stereo_Count	0
1918	Mono_Isotopic_Weight	814.18368448
8268	Hydrogen_Bond_Acceptor_Count	1
641543	Defined_Bond_Stereo_Count	0
91165609	Hydrogen_Bond_Donor_Count	1
18410302	Hydrogen_Bond_Acceptor_Count	3
11001426	Structure_Complexity	320
11226090	Defined_Atom_Stereo_Count	2
4820	Covalent_Unit_Count	1
84715998	Molecular_Weight	112.13
14671559	Undefined_Atom_Stereo_Count	0
12871456	Defined_Atom_Stereo_Count	0
57261612	Exact_Mass	109.063997236
101576	Hydrogen_Bond_Acceptor_Count	1
66254	TPSA	63.3
156618027	Hydrogen_Bond_Donor_Count	8
19043571	XLogP3-AA	0.3
68465774	Molecular_Weight	138.12
299728	Hydrogen_Bond_Acceptor_Count	0
5093953	Exact_Mass	228.04428736
8672	Hydrogen_Bond_Acceptor_Count	3
71555	Total_Formal_Charge	0
22096	Defined_Bond_Stereo_Count	0
521947	Hydrogen_Bond_Donor_Count	0
197160	Covalent_Unit_Count	1
5300	Hydrogen_Bond_Acceptor_Count	8
3033836	Structure_Complexity	196
3042	Hydrogen_Bond_Donor_Count	0
565251	Undefined_Atom_Stereo_Count	3
64369	Defined_Bond_Stereo_Count	0
134564038	Rotatable_Bond_Count	0
163940165	Undefined_Bond_Stereo_Count	0
18980946	Exact_Mass	113.084063974
67648	Non-hydrogen_Atom_Count	22
16303	Exact_Mass	163.099714038
111727	Structure_Complexity	183
7004913	Total_Formal_Charge	0
59665343	Isotope_Atom_Count	0
95083	Defined_Atom_Stereo_Count	0
4348	Molecular_Weight	151.21
7464	Mono_Isotopic_Weight	135.104799419
413494	Undefined_Bond_Stereo_Count	0
23616254	Structure_Complexity	299
19690463	Defined_Atom_Stereo_Count	0
57750420	Covalent_Unit_Count	1
87163	Defined_Bond_Stereo_Count	0
11351021	Undefined_Bond_Stereo_Count	0
20003	Defined_Bond_Stereo_Count	0
158627	Undefined_Atom_Stereo_Count	0
135409350	Defined_Atom_Stereo_Count	0
54576693	Isotope_Atom_Count	0
16005261	Hydrogen_Bond_Acceptor_Count	2
226831	Molecular_Weight	89.14
50986266	Total_Formal_Charge	0
10460	Undefined_Bond_Stereo_Count	1
1422	Hydrogen_Bond_Acceptor_Count	5
11752	Non-hydrogen_Atom_Count	8
91514136	Structure_Complexity	86.1
38102	Total_Formal_Charge	0
11669	Tautomer_Count	1
79	Defined_Atom_Stereo_Count	0
127527	Isotope_Atom_Count	0
1135	Total_Formal_Charge	0
3916406	Mono_Isotopic_Weight	196.04840674
54757838	TPSA	107
53850714	Total_Formal_Charge	0
4343	Covalent_Unit_Count	1
50537	Exact_Mass	423.1037849
5727	Defined_Atom_Stereo_Count	0
83390	Exact_Mass	111.104799419
104926	Hydrogen_Bond_Acceptor_Count	5
32767	Defined_Bond_Stereo_Count	0
44339089	Molecular_Weight	496.7
9898440	Covalent_Unit_Count	1
10953432	XLogP3-AA	0.6
14	Rotatable_Bond_Count	13
85663349	Defined_Atom_Stereo_Count	0
123899588	TPSA	0
23663976	Tautomer_Count	1
5086465	Molecular_Weight	91.11
9085	Structure_Complexity	189
120231	XLogP3	0.8
3035842	Structure_Complexity	132
90243427	Molecular_Weight	101.15
2724640	Structure_Complexity	136
144161560	Rotatable_Bond_Count	1
12724398	Molecular_Weight	112.17
57399428	Molecular_Weight	480.6
479503	TPSA	94.8
186094	Defined_Atom_Stereo_Count	0
129716995	Structure_Complexity	388
11002	TPSA	25.3
69091	Covalent_Unit_Count	1
240119	Total_Formal_Charge	0
9916195	Rotatable_Bond_Count	7
34794	Hydrogen_Bond_Acceptor_Count	2
68512	Tautomer_Count	10
5282402	Non-hydrogen_Atom_Count	26
53833568	Non-hydrogen_Atom_Count	8
11658860	Molecular_Weight	195.69
164914198	Undefined_Bond_Stereo_Count	0
11137	Hydrogen_Bond_Acceptor_Count	3
77048	Defined_Bond_Stereo_Count	0
751505	Defined_Atom_Stereo_Count	1
15324722	Undefined_Bond_Stereo_Count	0
18175	XLogP3-AA	2
4442	XLogP3-AA	2.2
24899382	Defined_Atom_Stereo_Count	3
5280451	Structure_Complexity	138
60999	Defined_Bond_Stereo_Count	0
24426	Total_Formal_Charge	0
104781	Hydrogen_Bond_Acceptor_Count	4
2768	Defined_Bond_Stereo_Count	0
135421124	Mono_Isotopic_Weight	339.98474
135332658	Total_Formal_Charge	0
6419888	Hydrogen_Bond_Donor_Count	2
4627783	Structure_Complexity	84.4
192160	Undefined_Bond_Stereo_Count	0
20277510	Undefined_Bond_Stereo_Count	0
12104	Isotope_Atom_Count	0
6539026	Hydrogen_Bond_Donor_Count	2
441406	Molecular_Weight	486.4
91181590	Exact_Mass	303.14705815
67204829	Total_Formal_Charge	0
73433376	Non-hydrogen_Atom_Count	7
45933886	Rotatable_Bond_Count	1
13620760	Molecular_Weight	126.08
13388558	Mono_Isotopic_Weight	310.0212875
55445	Structure_Complexity	207
112239	Covalent_Unit_Count	1
10331	Isotope_Atom_Count	0
121877	Undefined_Atom_Stereo_Count	0
8638	Undefined_Bond_Stereo_Count	0
9183	Defined_Bond_Stereo_Count	0
54328926	Total_Formal_Charge	0
26156	XLogP3-AA	1.6
11470068	Hydrogen_Bond_Donor_Count	0
17561	Covalent_Unit_Count	1
24728612	Molecular_Weight	776.6
24502	Exact_Mass	293.772825
93706	XLogP3-AA	15.5
2724552	Undefined_Atom_Stereo_Count	0
12720	Mono_Isotopic_Weight	52.0313001276
7785	Hydrogen_Bond_Donor_Count	0
2734248	Isotope_Atom_Count	0
93536	Rotatable_Bond_Count	2
570605	Mono_Isotopic_Weight	106.053098200
612684	Undefined_Atom_Stereo_Count	0
6337	Tautomer_Count	1
9539	Defined_Atom_Stereo_Count	0
537148	TPSA	12.5
96135	Tautomer_Count	12
271	Exact_Mass	39.9625908
38642	Defined_Bond_Stereo_Count	0
71777706	Structure_Complexity	620
145994598	Undefined_Atom_Stereo_Count	3
6450232	Structure_Complexity	332
88553883	Structure_Complexity	108
68700720	Structure_Complexity	66.7
22184652	Rotatable_Bond_Count	5
2550	Rotatable_Bond_Count	3
518605	Non-hydrogen_Atom_Count	10
29327	Isotope_Atom_Count	0
946	Covalent_Unit_Count	1
3077451	Non-hydrogen_Atom_Count	8
70445	Structure_Complexity	76.5
154058	Defined_Atom_Stereo_Count	2
12672	XLogP3-AA	2
85943658	Total_Formal_Charge	0
71681634	Total_Formal_Charge	0
24777	Tautomer_Count	1
20728	Exact_Mass	416.25627424
165664742	Mono_Isotopic_Weight	98.036779430
20228546	Total_Formal_Charge	0
63985	Hydrogen_Bond_Acceptor_Count	6
443933	Defined_Bond_Stereo_Count	0
400772	Undefined_Atom_Stereo_Count	0
2044	XLogP3-AA	4
91666359	Total_Formal_Charge	0
5284566	Hydrogen_Bond_Donor_Count	1
529031	Undefined_Bond_Stereo_Count	0
10402760	XLogP3-AA	2
13296868	Rotatable_Bond_Count	4
15311935	TPSA	76.5
66603137	Isotope_Atom_Count	0
703128	Defined_Bond_Stereo_Count	0
66569	Molecular_Weight	160.17
38103	Undefined_Atom_Stereo_Count	0
16547	Undefined_Atom_Stereo_Count	0
69244	Molecular_Weight	97.16
6426849	Non-hydrogen_Atom_Count	22
336423	Molecular_Weight	386.5
60196414	Undefined_Atom_Stereo_Count	2
64689	Tautomer_Count	16
846942	Molecular_Weight	243.28
1549778	Structure_Complexity	230
23618458	Molecular_Weight	279.28
18794	Undefined_Atom_Stereo_Count	0
68017365	Isotope_Atom_Count	0
73801102	Isotope_Atom_Count	0
21202	Mono_Isotopic_Weight	262.168127949
8757	Hydrogen_Bond_Donor_Count	0
8579	XLogP3-AA	4.3
101882533	Structure_Complexity	735
5364711	Total_Formal_Charge	0
75258	Rotatable_Bond_Count	2
155448	Structure_Complexity	263
9284	TPSA	34.6
68266	Defined_Atom_Stereo_Count	0
77117	Rotatable_Bond_Count	4
9430	Undefined_Bond_Stereo_Count	0
5282948	Isotope_Atom_Count	0
14493	Defined_Atom_Stereo_Count	0
6917773	Non-hydrogen_Atom_Count	33
8123	XLogP3-AA	8
25023855	Undefined_Bond_Stereo_Count	0
9903853	Undefined_Atom_Stereo_Count	0
60961	Tautomer_Count	3
3476	Isotope_Atom_Count	0
30844	XLogP3-AA	3.1
225147	Molecular_Weight	116.16
757	Molecular_Weight	76.05
85570	Rotatable_Bond_Count	0
52938427	Mono_Isotopic_Weight	404.18484064
9943908	Exact_Mass	255.1026065
39272	Total_Formal_Charge	0
156414	Hydrogen_Bond_Donor_Count	2
91435	Rotatable_Bond_Count	0
57497484	Exact_Mass	324.183778013
57425261	Hydrogen_Bond_Donor_Count	1
2154	Defined_Bond_Stereo_Count	0
5792	Undefined_Bond_Stereo_Count	0
5351247	Molecular_Weight	492.1
91851108	Non-hydrogen_Atom_Count	23
11578610	Rotatable_Bond_Count	4
9394	XLogP3-AA	5.7
135398514	Undefined_Bond_Stereo_Count	0
57149850	Defined_Atom_Stereo_Count	0
53970191	XLogP3-AA	1.7
16987	Molecular_Weight	252.61
95496	Exact_Mass	195.02014356
197127	TPSA	123
11547499	Undefined_Bond_Stereo_Count	0
23350	XLogP3-AA	0
1374121	Molecular_Weight	463.6
54677971	Defined_Atom_Stereo_Count	0
13707481	Undefined_Atom_Stereo_Count	0
63801	Hydrogen_Bond_Donor_Count	3
71335300	Hydrogen_Bond_Donor_Count	0
1573	Covalent_Unit_Count	1
28118	Total_Formal_Charge	0
135648979	Undefined_Atom_Stereo_Count	0
54688694	Rotatable_Bond_Count	2
7017843	Defined_Bond_Stereo_Count	0
197341	Defined_Bond_Stereo_Count	0
156419	Structure_Complexity	422
44629654	TPSA	47.9
7169	Non-hydrogen_Atom_Count	15
68566969	TPSA	9.2
111314	Total_Formal_Charge	0
96299	Hydrogen_Bond_Donor_Count	2
12285877	Undefined_Atom_Stereo_Count	0
2655	XLogP3	0
1810203	Tautomer_Count	4
90579	Covalent_Unit_Count	1
139062654	Hydrogen_Bond_Acceptor_Count	12
39732	XLogP3	6.3
42626880	Structure_Complexity	1230
3305	Defined_Atom_Stereo_Count	0
101602	Defined_Bond_Stereo_Count	0
104	Defined_Atom_Stereo_Count	0
3781	Covalent_Unit_Count	1
876	Defined_Bond_Stereo_Count	0
131845646	Exact_Mass	768.00929
1110	TPSA	74.6
5284461	Covalent_Unit_Count	1
5460769	Covalent_Unit_Count	1
124009720	Hydrogen_Bond_Donor_Count	1
13485108	Mono_Isotopic_Weight	112.088815002
40460	Undefined_Bond_Stereo_Count	0
2723866	Molecular_Weight	215.63
38875	Mono_Isotopic_Weight	289.922361
2772	Rotatable_Bond_Count	10
4284331	Rotatable_Bond_Count	3
140233814	Defined_Atom_Stereo_Count	0
2771758	Mono_Isotopic_Weight	162.042927438
86118188	Rotatable_Bond_Count	3
6420022	Exact_Mass	331.1161486
24900751	Undefined_Atom_Stereo_Count	0
90057933	Total_Formal_Charge	0
8360	Defined_Bond_Stereo_Count	0
28003	Defined_Bond_Stereo_Count	0
146223	Non-hydrogen_Atom_Count	36
98614	Structure_Complexity	292
25142172	Covalent_Unit_Count	1
10176241	Rotatable_Bond_Count	0
20220679	Molecular_Weight	114.14
6335986	Structure_Complexity	744
30987	Defined_Atom_Stereo_Count	0
6497	Rotatable_Bond_Count	2
137808	Exact_Mass	93.057849228
118010510	Defined_Atom_Stereo_Count	0
141344	Undefined_Atom_Stereo_Count	1
47491	Hydrogen_Bond_Acceptor_Count	7
22140765	Exact_Mass	113.058911855
66091	Tautomer_Count	2
156255626	Isotope_Atom_Count	0
79718	Isotope_Atom_Count	0
12987	TPSA	0
19494	Hydrogen_Bond_Acceptor_Count	2
20129	XLogP3-AA	1.6
29758	Structure_Complexity	158
11979316	Defined_Atom_Stereo_Count	0
71148	Non-hydrogen_Atom_Count	28
17697	Structure_Complexity	131
86209	TPSA	17.1
3050410	Exact_Mass	305.1870048
15930578	Isotope_Atom_Count	0
3742	Rotatable_Bond_Count	10
49087	Undefined_Bond_Stereo_Count	0
18509075	Undefined_Atom_Stereo_Count	0
2972	Mono_Isotopic_Weight	139.063328530
18785356	Isotope_Atom_Count	0
7265	Hydrogen_Bond_Acceptor_Count	2
20055397	Hydrogen_Bond_Acceptor_Count	5
51124	Defined_Bond_Stereo_Count	0
87998	Non-hydrogen_Atom_Count	15
11274356	Tautomer_Count	9
22061628	Defined_Bond_Stereo_Count	0
234	Total_Formal_Charge	0
45085022	Hydrogen_Bond_Acceptor_Count	2
44183616	Undefined_Bond_Stereo_Count	0
67178850	Non-hydrogen_Atom_Count	7
182092	Structure_Complexity	136
66025	Hydrogen_Bond_Acceptor_Count	3
87262	Total_Formal_Charge	0
6918939	Defined_Bond_Stereo_Count	0
439918	Molecular_Weight	175.14
1633595	Rotatable_Bond_Count	0
123661139	Undefined_Atom_Stereo_Count	2
12933279	TPSA	41.1
11768526	Rotatable_Bond_Count	3
10220511	Defined_Atom_Stereo_Count	0
1268142	TPSA	17.1
8006	Hydrogen_Bond_Acceptor_Count	0
70540665	Defined_Bond_Stereo_Count	0
7915	Exact_Mass	102.068079557
59856471	Mono_Isotopic_Weight	757.37204952
71434160	Rotatable_Bond_Count	6
12632928	Mono_Isotopic_Weight	97.089149355
2722	TPSA	33.1
15561851	TPSA	23.8
19708414	Defined_Atom_Stereo_Count	0
53395363	Defined_Atom_Stereo_Count	0
22084396	Undefined_Bond_Stereo_Count	0
9953590	Hydrogen_Bond_Donor_Count	0
193720	Defined_Atom_Stereo_Count	0
11850698	Undefined_Atom_Stereo_Count	0
53494972	Isotope_Atom_Count	0
6979027	TPSA	62.3
23663939	Hydrogen_Bond_Donor_Count	4
275510	Molecular_Weight	647.9
37114	Hydrogen_Bond_Acceptor_Count	3
5249080	Defined_Bond_Stereo_Count	0
135413552	Total_Formal_Charge	0
71457270	Covalent_Unit_Count	1
13367	XLogP3-AA	1.2
3586	Total_Formal_Charge	0
17599	Rotatable_Bond_Count	0
11377	Defined_Atom_Stereo_Count	0
170286	Undefined_Bond_Stereo_Count	0
34055	Rotatable_Bond_Count	6
154269	Covalent_Unit_Count	1
126686768	Hydrogen_Bond_Acceptor_Count	2
16738693	Molecular_Weight	430.4
68740500	Rotatable_Bond_Count	3
67247849	Molecular_Weight	372.4
17392	Non-hydrogen_Atom_Count	27
46944253	Hydrogen_Bond_Donor_Count	1
16211171	Hydrogen_Bond_Acceptor_Count	4
142262	Total_Formal_Charge	0
12260	Undefined_Atom_Stereo_Count	0
118253852	Total_Formal_Charge	0
70682213	XLogP3-AA	1.4
5284499	Tautomer_Count	1
6987	Undefined_Bond_Stereo_Count	0
79693	Undefined_Bond_Stereo_Count	0
443873	Hydrogen_Bond_Donor_Count	3
71397	Hydrogen_Bond_Acceptor_Count	1
83795	Molecular_Weight	128.17
81047	Rotatable_Bond_Count	0
5353500	Non-hydrogen_Atom_Count	35
118121642	Non-hydrogen_Atom_Count	8
5280980	TPSA	87.1
9796440	Structure_Complexity	34.6
48288	Non-hydrogen_Atom_Count	22
439186	Isotope_Atom_Count	0
90936519	Non-hydrogen_Atom_Count	85
26955	Exact_Mass	192.151415257
12571167	Hydrogen_Bond_Donor_Count	0
5767	Total_Formal_Charge	0
92374	Undefined_Atom_Stereo_Count	0
5188	Non-hydrogen_Atom_Count	29
57461895	Hydrogen_Bond_Donor_Count	2
44126086	Hydrogen_Bond_Acceptor_Count	5
72199540	Defined_Bond_Stereo_Count	0
101000161	Tautomer_Count	106
54726514	Molecular_Weight	634.6
134693234	Hydrogen_Bond_Donor_Count	1
55290898	Undefined_Atom_Stereo_Count	1
642799	Hydrogen_Bond_Donor_Count	0
58265608	Total_Formal_Charge	0
14079045	Rotatable_Bond_Count	7
5610	Hydrogen_Bond_Donor_Count	2
134812477	Non-hydrogen_Atom_Count	46
75579	Isotope_Atom_Count	0
40087	Undefined_Atom_Stereo_Count	0
89159	Exact_Mass	208.07355886
12594	Total_Formal_Charge	0
14459508	Total_Formal_Charge	0
72554	Molecular_Weight	392.5
9954083	Rotatable_Bond_Count	6
58098237	Undefined_Bond_Stereo_Count	0
77650	Hydrogen_Bond_Donor_Count	0
91003779	XLogP3-AA	1.1
13286	Hydrogen_Bond_Acceptor_Count	6
14794987	Structure_Complexity	54.9
30619	Hydrogen_Bond_Donor_Count	1
80873	Molecular_Weight	360.6
21496049	Defined_Atom_Stereo_Count	0
85421	Mono_Isotopic_Weight	505.208512955
9474	Structure_Complexity	90.3
24181476	Rotatable_Bond_Count	0
5483847	Undefined_Atom_Stereo_Count	0
656665	TPSA	45.3
69141	Undefined_Atom_Stereo_Count	0
135499741	Defined_Bond_Stereo_Count	0
3597	Exact_Mass	488.31378912
9568613	Covalent_Unit_Count	3
123608	Undefined_Bond_Stereo_Count	0
46936995	Exact_Mass	246.05045443
10314851	Hydrogen_Bond_Acceptor_Count	2
153884978	Rotatable_Bond_Count	2
5282493	Structure_Complexity	982
4666	Undefined_Atom_Stereo_Count	11
5460326	Mono_Isotopic_Weight	205.03569700
12259684	Structure_Complexity	506
52918382	TPSA	94.5
71109	Mono_Isotopic_Weight	272.152477885
21531	Rotatable_Bond_Count	6
129627774	Exact_Mass	1033.54575866
54500069	Hydrogen_Bond_Donor_Count	2
16070039	Non-hydrogen_Atom_Count	29
79012	Tautomer_Count	1
70609968	Defined_Bond_Stereo_Count	0
34239	Rotatable_Bond_Count	2
5289531	Defined_Atom_Stereo_Count	1
15436	XLogP3-AA	1.3
139348436	Structure_Complexity	103
54280	TPSA	77.3
13247	XLogP3	2.8
140143509	Defined_Bond_Stereo_Count	0
88398	Mono_Isotopic_Weight	87.104799419
28506	Rotatable_Bond_Count	2
31013	Total_Formal_Charge	0
9250	Covalent_Unit_Count	1
10966	Mono_Isotopic_Weight	87.01427034
22998467	Covalent_Unit_Count	1
2160	Covalent_Unit_Count	1
7568485	TPSA	9.2
98207156	Defined_Bond_Stereo_Count	0
70240	TPSA	100
99338	XLogP3-AA	1.6
91758	Molecular_Weight	283.4
121893	Undefined_Bond_Stereo_Count	0
19709	Exact_Mass	101.120449483
2318095	XLogP3-AA	4.3
694857	Rotatable_Bond_Count	5
69851796	Defined_Bond_Stereo_Count	0
65015	TPSA	78.7
11040399	Defined_Bond_Stereo_Count	1
177323	Defined_Bond_Stereo_Count	0
87490405	Non-hydrogen_Atom_Count	8
23916	Undefined_Bond_Stereo_Count	1
158366227	Defined_Bond_Stereo_Count	0
7498	Structure_Complexity	55.4
5351548	Undefined_Bond_Stereo_Count	0
11586735	Molecular_Weight	237.30
524655	Mono_Isotopic_Weight	98.109550447
6735	Exact_Mass	132.057514874
45	Undefined_Atom_Stereo_Count	0
537329	Total_Formal_Charge	0
10441672	Covalent_Unit_Count	1
71335300	Molecular_Weight	110.15
70339927	Exact_Mass	84.068748264
164608	Undefined_Bond_Stereo_Count	0
53940807	Undefined_Atom_Stereo_Count	0
9018	TPSA	20.2
71306478	Molecular_Weight	369.11
65309	Defined_Bond_Stereo_Count	0
37419	Covalent_Unit_Count	1
3899	Rotatable_Bond_Count	2
32872	Undefined_Atom_Stereo_Count	1
868031	Defined_Atom_Stereo_Count	0
4722	TPSA	69.9
4349	Undefined_Bond_Stereo_Count	0
12921774	Covalent_Unit_Count	1
12206947	Exact_Mass	111.068413911
18407200	Undefined_Atom_Stereo_Count	0
20565024	Total_Formal_Charge	0
195432	Rotatable_Bond_Count	8
10471931	Structure_Complexity	530
671	Undefined_Bond_Stereo_Count	0
6477715	Isotope_Atom_Count	0
54305717	Undefined_Bond_Stereo_Count	0
21542775	Hydrogen_Bond_Acceptor_Count	2
91754	Undefined_Bond_Stereo_Count	0
40030	Hydrogen_Bond_Acceptor_Count	3
12681	Mono_Isotopic_Weight	160.07355886
179338	Defined_Bond_Stereo_Count	0
42153	Defined_Atom_Stereo_Count	0
2433	Structure_Complexity	1910
89512548	Total_Formal_Charge	0
6918248	Tautomer_Count	2
5319422	Undefined_Bond_Stereo_Count	0
5424	Molecular_Weight	172.09
83907	Structure_Complexity	203
17852315	Non-hydrogen_Atom_Count	8
89162	Non-hydrogen_Atom_Count	16
7758	Defined_Atom_Stereo_Count	0
31243	Hydrogen_Bond_Acceptor_Count	1
12093171	TPSA	123
16134409	Structure_Complexity	4220
1640	Structure_Complexity	166
355	Covalent_Unit_Count	1
66419	Hydrogen_Bond_Donor_Count	2
3064224	Hydrogen_Bond_Donor_Count	2
141169621	Structure_Complexity	81.8
12947	Undefined_Bond_Stereo_Count	0
2733178	Total_Formal_Charge	0
521983	Structure_Complexity	93.5
75284	Defined_Bond_Stereo_Count	0
449343	Isotope_Atom_Count	0
44412	Undefined_Atom_Stereo_Count	0
91464	Covalent_Unit_Count	1
3001662	Rotatable_Bond_Count	4
11105495	Non-hydrogen_Atom_Count	7
10235	Total_Formal_Charge	0
16106825	Mono_Isotopic_Weight	108.057514874
57264323	Rotatable_Bond_Count	0
164116	Molecular_Weight	252.27
15123310	Hydrogen_Bond_Acceptor_Count	3
5486998	TPSA	152
9855455	Hydrogen_Bond_Acceptor_Count	2
15736732	Defined_Atom_Stereo_Count	7
156591873	Non-hydrogen_Atom_Count	45
17750962	Covalent_Unit_Count	2
73162904	Defined_Bond_Stereo_Count	0
37723	Defined_Atom_Stereo_Count	35
4376677	Total_Formal_Charge	0
19892314	Exact_Mass	363.19804835
5281069	Hydrogen_Bond_Donor_Count	2
51371732	Undefined_Atom_Stereo_Count	0
22219016	TPSA	123
23950	Mono_Isotopic_Weight	101.904340
96424	Undefined_Bond_Stereo_Count	1
168120	Tautomer_Count	3
10176113	Hydrogen_Bond_Donor_Count	0
15174915	Exact_Mass	360.16852187
11625425	Isotope_Atom_Count	0
19592	XLogP3-AA	4.9
8142	Mono_Isotopic_Weight	148.1018782
20660672	Covalent_Unit_Count	1
25915	Exact_Mass	122.084398327
60575	Hydrogen_Bond_Donor_Count	0
11829372	Total_Formal_Charge	0
11077530	Structure_Complexity	379
135408714	Covalent_Unit_Count	1
57401683	Mono_Isotopic_Weight	452.18821194
71464685	Exact_Mass	478.24274944
61144	Defined_Bond_Stereo_Count	0
36966	Hydrogen_Bond_Donor_Count	2
136576216	TPSA	26
8087	Non-hydrogen_Atom_Count	9
433956	Undefined_Atom_Stereo_Count	2
13804427	Hydrogen_Bond_Donor_Count	1
369219	Molecular_Weight	183.29
5281037	Isotope_Atom_Count	0
7429	Defined_Atom_Stereo_Count	0
397614	Total_Formal_Charge	0
20034388	Molecular_Weight	89.14
23574562	Structure_Complexity	143
517058	Mono_Isotopic_Weight	163.9407790
87359450	Covalent_Unit_Count	1
68634	Non-hydrogen_Atom_Count	25
138394128	Rotatable_Bond_Count	6
533866	Structure_Complexity	37.1
4168142	Non-hydrogen_Atom_Count	54
15335183	Defined_Bond_Stereo_Count	0
11101	Isotope_Atom_Count	0
22015	Hydrogen_Bond_Donor_Count	0
135565884	Undefined_Bond_Stereo_Count	0
41478	Exact_Mass	406.04637137
54585032	Structure_Complexity	337
452110	Rotatable_Bond_Count	40
40470	Rotatable_Bond_Count	1
110785	Hydrogen_Bond_Donor_Count	0
11610599	Defined_Bond_Stereo_Count	0
5461025	Undefined_Atom_Stereo_Count	0
87940821	Non-hydrogen_Atom_Count	8
47170034	Undefined_Bond_Stereo_Count	0
703128	Isotope_Atom_Count	0
165079254	Defined_Atom_Stereo_Count	0
10176216	Non-hydrogen_Atom_Count	4
14598502	Isotope_Atom_Count	0
121494046	Rotatable_Bond_Count	1
242436	Undefined_Atom_Stereo_Count	0
12713	Undefined_Atom_Stereo_Count	1
91986	Hydrogen_Bond_Acceptor_Count	1
75443	Undefined_Bond_Stereo_Count	0
2816568	Isotope_Atom_Count	0
86501	Undefined_Atom_Stereo_Count	1
123494194	Covalent_Unit_Count	1
10435916	Structure_Complexity	877
10262683	Isotope_Atom_Count	0
6905	Rotatable_Bond_Count	0
16437056	Undefined_Bond_Stereo_Count	0
3018598	Molecular_Weight	327.40
71312086	Undefined_Bond_Stereo_Count	1
72734520	Isotope_Atom_Count	0
10885	Undefined_Atom_Stereo_Count	0
68547	Rotatable_Bond_Count	3
12313776	Rotatable_Bond_Count	0
198822	TPSA	107
9939609	TPSA	81.5
6576	Covalent_Unit_Count	1
5540	Rotatable_Bond_Count	13
13764	Molecular_Weight	275.22
53484290	Hydrogen_Bond_Acceptor_Count	2
118388018	Molecular_Weight	114.06
14859157	Undefined_Bond_Stereo_Count	0
449381	Hydrogen_Bond_Acceptor_Count	5
98150	Undefined_Atom_Stereo_Count	1
72761	Hydrogen_Bond_Donor_Count	2
9969613	Defined_Atom_Stereo_Count	0
69341756	Covalent_Unit_Count	1
12479	Undefined_Atom_Stereo_Count	0
83131	Hydrogen_Bond_Donor_Count	2
45085421	Molecular_Weight	132.23
1553	Non-hydrogen_Atom_Count	20
63055	XLogP3	2.3
124081896	Hydrogen_Bond_Donor_Count	0
449381	Non-hydrogen_Atom_Count	20
18387331	Non-hydrogen_Atom_Count	7
8360	Non-hydrogen_Atom_Count	11
128798	Hydrogen_Bond_Donor_Count	0
12497740	Rotatable_Bond_Count	2
24978601	Covalent_Unit_Count	1
16186010	Defined_Bond_Stereo_Count	0
6695	Non-hydrogen_Atom_Count	33
50627	Isotope_Atom_Count	0
138805	Undefined_Atom_Stereo_Count	2
23948	Rotatable_Bond_Count	0
662369	Covalent_Unit_Count	1
58863022	Mono_Isotopic_Weight	342.11621151
13751	Mono_Isotopic_Weight	254.178298710
13531445	Isotope_Atom_Count	0
20521791	Defined_Atom_Stereo_Count	0
8699	Tautomer_Count	10
43552	TPSA	0
250457	TPSA	43.4
9915743	Defined_Bond_Stereo_Count	1
5479527	Hydrogen_Bond_Donor_Count	3
6435	Undefined_Atom_Stereo_Count	0
9395	Covalent_Unit_Count	1
5850	Non-hydrogen_Atom_Count	17
5363095	Undefined_Bond_Stereo_Count	0
21750168	Mono_Isotopic_Weight	128.047344113
1425	Non-hydrogen_Atom_Count	21
715513	Undefined_Bond_Stereo_Count	0
23662389	Structure_Complexity	670
114823056	XLogP3-AA	0.4
85531465	Exact_Mass	86.036779430
17849680	Isotope_Atom_Count	0
89155	XLogP3-AA	2.7
8437	Tautomer_Count	1
54095609	XLogP3-AA	0.9
129635152	Exact_Mass	143.95643836
23963	TPSA	0
15129466	Molecular_Weight	114.19
18364965	Isotope_Atom_Count	0
126521	Defined_Bond_Stereo_Count	0
101602	Isotope_Atom_Count	0
130025741	TPSA	17.1
12376	Hydrogen_Bond_Acceptor_Count	4
5364495	TPSA	17.1
1491	TPSA	77.8
928	Total_Formal_Charge	0
11969542	Non-hydrogen_Atom_Count	32
30049	Isotope_Atom_Count	0
19432668	Rotatable_Bond_Count	2
35525	Exact_Mass	166.110613074
737374	TPSA	70.1
129891	TPSA	37.3
15269993	TPSA	40.4
156618186	Undefined_Bond_Stereo_Count	0
11967809	Defined_Atom_Stereo_Count	0
58453	Hydrogen_Bond_Acceptor_Count	3
123816	Isotope_Atom_Count	0
5047209	Undefined_Bond_Stereo_Count	0
15460	Hydrogen_Bond_Acceptor_Count	0
24977223	XLogP3-AA	0.8
90953405	TPSA	54
11584	Hydrogen_Bond_Donor_Count	0
3081386	Mono_Isotopic_Weight	679.08627911
160157	Undefined_Atom_Stereo_Count	0
13521831	XLogP3-AA	0.8
15773	Rotatable_Bond_Count	9
24950485	Isotope_Atom_Count	0
643968	Non-hydrogen_Atom_Count	17
5460094	Exact_Mass	527.23263824
62753	Non-hydrogen_Atom_Count	31
12367598	Hydrogen_Bond_Acceptor_Count	2
59899303	Defined_Atom_Stereo_Count	0
61743	Molecular_Weight	170.25
9866696	Non-hydrogen_Atom_Count	30
27866	Defined_Bond_Stereo_Count	0
4676	Exact_Mass	339.12527733
101742	Mono_Isotopic_Weight	387.1713548
3034645	Rotatable_Bond_Count	1
3571582	Exact_Mass	206.00135954
5781	Defined_Bond_Stereo_Count	0
4630913	Structure_Complexity	542
13838	Isotope_Atom_Count	0
129652019	Defined_Bond_Stereo_Count	0
10411334	Rotatable_Bond_Count	7
21677759	XLogP3	0.8
123840	Isotope_Atom_Count	0
1201551	Tautomer_Count	1
21817604	Non-hydrogen_Atom_Count	7
66601	TPSA	54.4
11599	Hydrogen_Bond_Donor_Count	0
1150	Defined_Atom_Stereo_Count	0
66827	Molecular_Weight	121.93
68304	Mono_Isotopic_Weight	325.1808568
56556	Rotatable_Bond_Count	6
49869173	Undefined_Bond_Stereo_Count	0
6154	Non-hydrogen_Atom_Count	27
631	Rotatable_Bond_Count	16
60924	Hydrogen_Bond_Acceptor_Count	4
199402	Exact_Mass	1202.74992724
55284178	Hydrogen_Bond_Acceptor_Count	4
11658353	Non-hydrogen_Atom_Count	12
165986150	Exact_Mass	111.068413911
15096	Isotope_Atom_Count	0
62086	Defined_Bond_Stereo_Count	0
8059	Isotope_Atom_Count	0
17769	Hydrogen_Bond_Donor_Count	0
663939	Covalent_Unit_Count	1
54280	Undefined_Bond_Stereo_Count	0
9955014	Structure_Complexity	545
5364759	Total_Formal_Charge	0
60936	Defined_Bond_Stereo_Count	0
46848036	Undefined_Atom_Stereo_Count	0
32518	Molecular_Weight	297.5
556872	Exact_Mass	112.088815002
14852477	Mono_Isotopic_Weight	100.100048391
12541465	Molecular_Weight	166.60
439215	Defined_Atom_Stereo_Count	4
610161	Defined_Atom_Stereo_Count	0
89248	Non-hydrogen_Atom_Count	23
753040	Molecular_Weight	344.16
444742	Rotatable_Bond_Count	25
23187765	Rotatable_Bond_Count	2
19426425	Undefined_Atom_Stereo_Count	0
35687	Undefined_Bond_Stereo_Count	2
9808828	Rotatable_Bond_Count	7
121323963	Total_Formal_Charge	0
11640390	Exact_Mass	421.19026037
34574	Undefined_Atom_Stereo_Count	0
102258	Defined_Bond_Stereo_Count	0
91414	Molecular_Weight	165.07
14503	Molecular_Weight	187.1
448258	Structure_Complexity	592
48889	Mono_Isotopic_Weight	319.896540
72157	Exact_Mass	266.07251349
57370509	XLogP3-AA	18.3
73720	Molecular_Weight	166.29
243274	Isotope_Atom_Count	0
20992	Covalent_Unit_Count	1
55299744	Hydrogen_Bond_Acceptor_Count	2
154515463	Undefined_Atom_Stereo_Count	1
5281616	Rotatable_Bond_Count	1
292661	Rotatable_Bond_Count	0
20591	Defined_Atom_Stereo_Count	0
16837	Hydrogen_Bond_Acceptor_Count	5
44201343	Hydrogen_Bond_Donor_Count	106
31355	Structure_Complexity	201
82326	Covalent_Unit_Count	2
23616669	Structure_Complexity	296
153	Exact_Mass	295.05693679
140181	Molecular_Weight	94.15
12393928	TPSA	50.4
99435	Isotope_Atom_Count	0
129652979	Isotope_Atom_Count	0
92703	Isotope_Atom_Count	0
59755734	TPSA	3.2
70687254	Defined_Bond_Stereo_Count	0
77012	Structure_Complexity	639
23080870	Hydrogen_Bond_Donor_Count	0
129395999	Undefined_Bond_Stereo_Count	0
11813	Defined_Bond_Stereo_Count	0
17318	Structure_Complexity	229
6917865	Hydrogen_Bond_Acceptor_Count	5
5281426	Rotatable_Bond_Count	0
73648	Non-hydrogen_Atom_Count	28
3983	Undefined_Bond_Stereo_Count	0
16832	Covalent_Unit_Count	1
81618	Defined_Atom_Stereo_Count	0
10384141	Non-hydrogen_Atom_Count	27
135445750	Isotope_Atom_Count	0
6432238	Covalent_Unit_Count	1
5459784	Tautomer_Count	1
522105	Structure_Complexity	70.8
45456	Undefined_Bond_Stereo_Count	0
13401682	Rotatable_Bond_Count	3
20169	Molecular_Weight	312.4
11042360	Non-hydrogen_Atom_Count	14
44123551	Hydrogen_Bond_Acceptor_Count	6
121515	Non-hydrogen_Atom_Count	24
8555	Total_Formal_Charge	0
5289535	Defined_Bond_Stereo_Count	0
16161315	Rotatable_Bond_Count	26
5364420	Molecular_Weight	326.5
3266	Total_Formal_Charge	0
12942137	Undefined_Bond_Stereo_Count	0
11051571	Defined_Bond_Stereo_Count	0
3654	Total_Formal_Charge	0
25142310	TPSA	89
21685	Exact_Mass	206.167065321
147740	Tautomer_Count	90
4914	TPSA	55.6
59295994	Undefined_Bond_Stereo_Count	0
34815	Structure_Complexity	315
6433427	Non-hydrogen_Atom_Count	19
53909396	Mono_Isotopic_Weight	88.052429494
45120480	Isotope_Atom_Count	0
398579	Exact_Mass	493.16262
23199904	Total_Formal_Charge	0
6708685	Defined_Atom_Stereo_Count	2
5352905	Rotatable_Bond_Count	3
71573986	Structure_Complexity	873
564980	XLogP3-AA	0.7
112029	Undefined_Atom_Stereo_Count	1
11521066	Hydrogen_Bond_Acceptor_Count	2
658645	Defined_Atom_Stereo_Count	0
11332442	Undefined_Bond_Stereo_Count	0
96665	Undefined_Atom_Stereo_Count	0
11957635	TPSA	24.4
87468661	Covalent_Unit_Count	1
80230	Molecular_Weight	160.14
72941969	Defined_Atom_Stereo_Count	39
82343	Hydrogen_Bond_Acceptor_Count	1
29396	Undefined_Bond_Stereo_Count	0
6289	Non-hydrogen_Atom_Count	19
117853562	Total_Formal_Charge	0
535535	Undefined_Bond_Stereo_Count	0
695	Rotatable_Bond_Count	4
45479834	Total_Formal_Charge	0
442076	Undefined_Atom_Stereo_Count	1
7904	Exact_Mass	86.036779430
44345198	Structure_Complexity	719
60209624	Mono_Isotopic_Weight	313.15387487
398578	Exact_Mass	343.1582033
37144	Undefined_Bond_Stereo_Count	0
8262	Undefined_Bond_Stereo_Count	0
55603	Undefined_Bond_Stereo_Count	0
3035914	Mono_Isotopic_Weight	258.15929460
12102	Covalent_Unit_Count	1
20334570	Mono_Isotopic_Weight	116.083729621
71310415	Defined_Atom_Stereo_Count	0
129654479	TPSA	29.6
76241	Hydrogen_Bond_Donor_Count	0
5651	Exact_Mass	1447.4301997
2448	Total_Formal_Charge	0
45085092	Isotope_Atom_Count	0
15766	Covalent_Unit_Count	1
4940	Tautomer_Count	2
56840904	Mono_Isotopic_Weight	639.95350
15809	Isotope_Atom_Count	0
141282030	Undefined_Bond_Stereo_Count	0
250457	Covalent_Unit_Count	1
145994868	TPSA	1390
110821	Hydrogen_Bond_Acceptor_Count	1
13072114	Structure_Complexity	274
11772257	Total_Formal_Charge	0
474523	Exact_Mass	403.345029678
45116616	TPSA	46.2
2472	Molecular_Weight	373.4
36688117	Undefined_Bond_Stereo_Count	0
16669	Molecular_Weight	204.31
127516	Tautomer_Count	9
11632510	Hydrogen_Bond_Acceptor_Count	5
57425261	TPSA	50.2
24202578	Tautomer_Count	479
7163	XLogP3-AA	6.8
6432517	Exact_Mass	304.240230259
54684337	Undefined_Bond_Stereo_Count	0
22967022	Hydrogen_Bond_Acceptor_Count	2
71773445	TPSA	297
3894	Hydrogen_Bond_Acceptor_Count	7
49830590	Rotatable_Bond_Count	6
12251	Undefined_Bond_Stereo_Count	0
57401205	Mono_Isotopic_Weight	462.14607235
201734	Rotatable_Bond_Count	1
44349928	Exact_Mass	239.11575802
19702729	Hydrogen_Bond_Acceptor_Count	3
87254	Undefined_Atom_Stereo_Count	0
61040	Hydrogen_Bond_Acceptor_Count	2
9280	Rotatable_Bond_Count	4
90937445	Covalent_Unit_Count	1
37367	Rotatable_Bond_Count	3
7896	Tautomer_Count	1
11197	Non-hydrogen_Atom_Count	26
10264356	Total_Formal_Charge	0
25123	Exact_Mass	162.115698455
147594753	Defined_Atom_Stereo_Count	0
66751253	XLogP3-AA	3.3
3798	Defined_Bond_Stereo_Count	0
3003791	TPSA	112
87825887	Hydrogen_Bond_Donor_Count	0
56927879	Exact_Mass	1442.70951898
13384041	Rotatable_Bond_Count	5
5289382	Hydrogen_Bond_Donor_Count	7
72582	Total_Formal_Charge	0
21637412	Non-hydrogen_Atom_Count	30
447029	Defined_Bond_Stereo_Count	0
129636415	Total_Formal_Charge	0
121396	Exact_Mass	190.05897142
13795013	Hydrogen_Bond_Donor_Count	2
6857	Defined_Bond_Stereo_Count	0
994872	Hydrogen_Bond_Donor_Count	2
40605	Exact_Mass	293.01535022
6165177	TPSA	160
5365543	Mono_Isotopic_Weight	120.093900383
76922	Structure_Complexity	92.3
11621437	Covalent_Unit_Count	1
7716	TPSA	0
18459757	Hydrogen_Bond_Acceptor_Count	2
201618	Undefined_Atom_Stereo_Count	0
123816919	Exact_Mass	108.093900383
98719	Hydrogen_Bond_Acceptor_Count	2
8870	Defined_Bond_Stereo_Count	0
60154327	Exact_Mass	319.0948358
137580	Rotatable_Bond_Count	1
8945	Molecular_Weight	204.13
49869312	Defined_Bond_Stereo_Count	0
67246787	Isotope_Atom_Count	0
20531373	TPSA	16.4
133109195	Structure_Complexity	1150
16142	Rotatable_Bond_Count	2
17354	Defined_Bond_Stereo_Count	0
68711	Defined_Atom_Stereo_Count	0
9974756	Total_Formal_Charge	0
9895035	Isotope_Atom_Count	0
20132002	Molecular_Weight	82.10
12295224	Total_Formal_Charge	0
19595920	Defined_Bond_Stereo_Count	0
53315818	TPSA	58.6
77470	Defined_Bond_Stereo_Count	0
145721938	Structure_Complexity	596
485482	Mono_Isotopic_Weight	309.139173551
10234	Defined_Bond_Stereo_Count	0
138264	Tautomer_Count	1
439299	Undefined_Bond_Stereo_Count	0
13314379	Hydrogen_Bond_Donor_Count	0
11480819	Mono_Isotopic_Weight	181.06674293
10198924	Defined_Bond_Stereo_Count	0
12303	Molecular_Weight	102.14
6445540	Undefined_Atom_Stereo_Count	0
89716251	Exact_Mass	113.084063974
3081743	Hydrogen_Bond_Acceptor_Count	5
70694228	Undefined_Bond_Stereo_Count	0
18349198	Covalent_Unit_Count	1
26956	Defined_Bond_Stereo_Count	0
99382	Hydrogen_Bond_Acceptor_Count	0
22246713	Non-hydrogen_Atom_Count	8
364704	Hydrogen_Bond_Acceptor_Count	6
12577	Exact_Mass	157.00112220
5401	Undefined_Bond_Stereo_Count	0
131750287	Isotope_Atom_Count	0
10678200	Non-hydrogen_Atom_Count	8
62902	Undefined_Bond_Stereo_Count	0
71489	Mono_Isotopic_Weight	416.14633
59185552	Total_Formal_Charge	0
68549	Defined_Bond_Stereo_Count	0
636750	Hydrogen_Bond_Acceptor_Count	3
5724	Exact_Mass	439.95748
91469	Undefined_Atom_Stereo_Count	0
86453	Total_Formal_Charge	0
30924	Exact_Mass	163.099714038
146680	Exact_Mass	374.07903816
439224	Structure_Complexity	259
44126083	Rotatable_Bond_Count	5
11253490	Total_Formal_Charge	0
71622	Hydrogen_Bond_Acceptor_Count	6
657237	Rotatable_Bond_Count	2
135437	Exact_Mass	183.06604493
6602378	Structure_Complexity	686
24808	Structure_Complexity	8
160538	Non-hydrogen_Atom_Count	10
572065	Isotope_Atom_Count	0
549318	Exact_Mass	96.057514874
20793292	Hydrogen_Bond_Acceptor_Count	1
71459168	Total_Formal_Charge	0
88153938	Rotatable_Bond_Count	1
77737505	Undefined_Bond_Stereo_Count	0
102513886	Isotope_Atom_Count	0
66615705	Exact_Mass	508.1695764
44395044	Molecular_Weight	499.6
83779	Covalent_Unit_Count	1
398559	Hydrogen_Bond_Acceptor_Count	7
55473	Non-hydrogen_Atom_Count	26
76973294	Undefined_Atom_Stereo_Count	6
51671	Structure_Complexity	637
255	Molecular_Weight	340.18
6519	Total_Formal_Charge	0
19935381	Undefined_Bond_Stereo_Count	0
88958947	Isotope_Atom_Count	0
75987092	Hydrogen_Bond_Acceptor_Count	5
9256	Non-hydrogen_Atom_Count	5
11208	TPSA	12.5
109094	Undefined_Atom_Stereo_Count	0
6266	Covalent_Unit_Count	1
95043	Defined_Bond_Stereo_Count	0
53079	Structure_Complexity	287
102	Hydrogen_Bond_Acceptor_Count	2
969472	Hydrogen_Bond_Donor_Count	0
41779	Isotope_Atom_Count	0
15559073	Molecular_Weight	278.4
94617	Undefined_Bond_Stereo_Count	0
137349207	Mono_Isotopic_Weight	363.13830499
22160828	Molecular_Weight	84.12
116047519	Molecular_Weight	113.16
80108978	Molecular_Weight	112.13
13968540	Hydrogen_Bond_Donor_Count	0
34452	Covalent_Unit_Count	1
45116684	Defined_Atom_Stereo_Count	0
167029	Defined_Atom_Stereo_Count	0
10990876	Exact_Mass	321.94425161
71309918	Rotatable_Bond_Count	4
115000	TPSA	61.9
16132429	Non-hydrogen_Atom_Count	172
9466	Rotatable_Bond_Count	7
121249	XLogP3	4.5
4345	XLogP3-AA	5.6
10654193	Undefined_Atom_Stereo_Count	0
2174	Covalent_Unit_Count	1
11443029	Molecular_Weight	480.9
23440949	Defined_Atom_Stereo_Count	0
107767	Total_Formal_Charge	0
160550	TPSA	75.8
5792	XLogP3	2.4
123628273	Covalent_Unit_Count	1
2754342	Rotatable_Bond_Count	7
1365	Defined_Atom_Stereo_Count	0
445575	Structure_Complexity	609
56842231	TPSA	355
75444	Undefined_Bond_Stereo_Count	0
3074943	Tautomer_Count	6
68764493	Covalent_Unit_Count	1
4954	Hydrogen_Bond_Donor_Count	2
123406207	Undefined_Bond_Stereo_Count	0
70693117	Undefined_Atom_Stereo_Count	0
21248212	Undefined_Atom_Stereo_Count	0
2574	Exact_Mass	182.11676108
18212	Exact_Mass	197.12766012
564457	Defined_Atom_Stereo_Count	0
14454	Mono_Isotopic_Weight	102.104465066
5318537	Hydrogen_Bond_Acceptor_Count	10
6784	Defined_Atom_Stereo_Count	0
65844	Rotatable_Bond_Count	1
75064	Molecular_Weight	154.12
53	Isotope_Atom_Count	0
11934	Tautomer_Count	1
24568	Molecular_Weight	458.3
91442	Tautomer_Count	1
154478098	Defined_Bond_Stereo_Count	0
135491728	Isotope_Atom_Count	0
57394197	Defined_Bond_Stereo_Count	0
21124389	Hydrogen_Bond_Acceptor_Count	4
644275	Rotatable_Bond_Count	79
2315	Defined_Bond_Stereo_Count	0
72200038	Isotope_Atom_Count	0
62705863	Defined_Bond_Stereo_Count	0
70680234	Isotope_Atom_Count	0
7018870	Undefined_Bond_Stereo_Count	0
57081543	TPSA	56.9
6420118	Defined_Bond_Stereo_Count	0
163050682	Exact_Mass	284.16237386
20387201	Exact_Mass	113.120449483
52912189	Structure_Complexity	665
4745	Structure_Complexity	388
66599893	Mono_Isotopic_Weight	453.20524173
437	Rotatable_Bond_Count	4
17235	Exact_Mass	310.287180451
31005	Structure_Complexity	439
6082	Undefined_Bond_Stereo_Count	0
10333641	Exact_Mass	275.93957
5283349	Undefined_Atom_Stereo_Count	0
85805628	Structure_Complexity	122
9927058	Undefined_Bond_Stereo_Count	0
24874	TPSA	26
268488	Structure_Complexity	180
66537	Structure_Complexity	205
5328	Structure_Complexity	349
1505	Total_Formal_Charge	1
4735	Covalent_Unit_Count	1
7062	Undefined_Atom_Stereo_Count	0
1489495	Defined_Atom_Stereo_Count	0
53436961	Defined_Atom_Stereo_Count	0
62553	Total_Formal_Charge	0
72168	Hydrogen_Bond_Acceptor_Count	7
24977371	Molecular_Weight	112.17
64930	Hydrogen_Bond_Donor_Count	2
24866519	Undefined_Atom_Stereo_Count	0
54581904	Hydrogen_Bond_Acceptor_Count	4
87870846	Molecular_Weight	113.11
15458	Molecular_Weight	128.17
436520	Tautomer_Count	1
130872	Exact_Mass	260.02971899
7398	Isotope_Atom_Count	0
15981895	Hydrogen_Bond_Acceptor_Count	8
71209	XLogP3-AA	1.7
5355856	Mono_Isotopic_Weight	224.177630004
69341027	Hydrogen_Bond_Donor_Count	2
208916	Covalent_Unit_Count	1
12871376	XLogP3-AA	0.9
5378708	Total_Formal_Charge	0
138921	Structure_Complexity	107
7177	Non-hydrogen_Atom_Count	20
534439	Molecular_Weight	114.19
20277171	Molecular_Weight	125.21
57441855	Defined_Bond_Stereo_Count	0
81595	Structure_Complexity	119
24916869	Molecular_Weight	678.6
22211722	Non-hydrogen_Atom_Count	28
47499	Exact_Mass	520.10124741
90769054	XLogP3-AA	0.3
135408964	Hydrogen_Bond_Donor_Count	1
4078	Isotope_Atom_Count	0
17873276	TPSA	46.3
6372	XLogP3-AA	1.8
443042	Rotatable_Bond_Count	4
62705687	TPSA	126
39042	Non-hydrogen_Atom_Count	25
8859	Undefined_Atom_Stereo_Count	0
6431	TPSA	0
446801	Covalent_Unit_Count	1
907991	Rotatable_Bond_Count	5
136197528	Isotope_Atom_Count	0
29728	Mono_Isotopic_Weight	269.88910
212	Undefined_Atom_Stereo_Count	4
123924	Isotope_Atom_Count	0
74320	Undefined_Atom_Stereo_Count	0
16130278	Covalent_Unit_Count	1
55223	Total_Formal_Charge	0
11829372	Non-hydrogen_Atom_Count	7
21908889	Hydrogen_Bond_Donor_Count	3
91378988	TPSA	44.7
82148	Undefined_Bond_Stereo_Count	0
134270	XLogP3-AA	0.8
70682584	Exact_Mass	438.18379527
71541292	TPSA	45.4
57004451	Exact_Mass	114.068079557
7413	Isotope_Atom_Count	0
25142309	XLogP3-AA	2.5
227244	Tautomer_Count	1
903675	Rotatable_Bond_Count	4
44267026	Defined_Bond_Stereo_Count	0
7450	Total_Formal_Charge	0
185902	Hydrogen_Bond_Acceptor_Count	6
100934359	Defined_Bond_Stereo_Count	0
14909248	Mono_Isotopic_Weight	114.104465066
43636	XLogP3-AA	6.1
44719848	Rotatable_Bond_Count	0
57385371	Molecular_Weight	432.9
101610369	Isotope_Atom_Count	0
91667591	Rotatable_Bond_Count	16
91411400	TPSA	59.2
7750121	Non-hydrogen_Atom_Count	21
12681848	Non-hydrogen_Atom_Count	21
60199634	TPSA	109
141201	Hydrogen_Bond_Donor_Count	0
123555270	Mono_Isotopic_Weight	108.093900383
21430458	Mono_Isotopic_Weight	117.078978594
11955855	Non-hydrogen_Atom_Count	27
129664081	Isotope_Atom_Count	0
139829	TPSA	0
62766	Exact_Mass	245.954854
72823952	Undefined_Atom_Stereo_Count	2
129711560	Hydrogen_Bond_Donor_Count	2
3037234	Total_Formal_Charge	0
71414	Total_Formal_Charge	0
3793	Non-hydrogen_Atom_Count	49
24397	Hydrogen_Bond_Donor_Count	2
159924	Structure_Complexity	26.8
10291132	Hydrogen_Bond_Acceptor_Count	11
20112	Undefined_Atom_Stereo_Count	1
295965	Isotope_Atom_Count	0
639420	Undefined_Bond_Stereo_Count	0
14803	Defined_Bond_Stereo_Count	0
3035405	Undefined_Atom_Stereo_Count	3
5318156	Mono_Isotopic_Weight	534.17372639
2091	Total_Formal_Charge	0
1652	Defined_Atom_Stereo_Count	0
349252	Hydrogen_Bond_Acceptor_Count	2
121395450	Non-hydrogen_Atom_Count	21
10340798	Isotope_Atom_Count	0
7170	Total_Formal_Charge	0
22344	Rotatable_Bond_Count	0
17355	Structure_Complexity	123
4912932	Isotope_Atom_Count	0
54738	Non-hydrogen_Atom_Count	19
11957721	Molecular_Weight	538.6
127394	Defined_Atom_Stereo_Count	0
7106	Undefined_Atom_Stereo_Count	0
142952	Tautomer_Count	1
66587017	Defined_Bond_Stereo_Count	0
8367	Non-hydrogen_Atom_Count	14
25201794	Hydrogen_Bond_Donor_Count	0
12040	Hydrogen_Bond_Donor_Count	1
92043128	Hydrogen_Bond_Acceptor_Count	13
48491	Total_Formal_Charge	1
573553	Undefined_Bond_Stereo_Count	0
14257662	Total_Formal_Charge	0
9352	Undefined_Bond_Stereo_Count	0
135763205	Rotatable_Bond_Count	3
165906267	Hydrogen_Bond_Donor_Count	2
59072033	Undefined_Bond_Stereo_Count	0
81261	Undefined_Bond_Stereo_Count	0
6433892	Covalent_Unit_Count	1
6877	Undefined_Atom_Stereo_Count	0
13408099	Covalent_Unit_Count	1
9930049	TPSA	51.2
59296085	Non-hydrogen_Atom_Count	31
93702	Exact_Mass	728.0672755
3243871	Exact_Mass	366.0771200
9821849	Structure_Complexity	739
58666267	Isotope_Atom_Count	0
8600	Exact_Mass	270.07395278
11240435	Defined_Bond_Stereo_Count	0
19406	TPSA	72.8
48754	Exact_Mass	226.13174244
288862	Rotatable_Bond_Count	1
70297	Molecular_Weight	172.56
55284719	Undefined_Atom_Stereo_Count	1
23283001	Exact_Mass	108.093900383
138378	Total_Formal_Charge	0
3082301	Mono_Isotopic_Weight	550.18977037
565082	Defined_Atom_Stereo_Count	0
20724	Undefined_Atom_Stereo_Count	1
160458	TPSA	40.5
404289	Undefined_Bond_Stereo_Count	0
122130338	Total_Formal_Charge	0
129653419	Mono_Isotopic_Weight	86.07077866
6064	Undefined_Atom_Stereo_Count	0
25868	Molecular_Weight	89.14
129991	Isotope_Atom_Count	0
127382	Isotope_Atom_Count	0
12959020	Covalent_Unit_Count	1
58265196	Non-hydrogen_Atom_Count	12
11241	XLogP3-AA	2.1
50009	Mono_Isotopic_Weight	334.00659
91021644	Hydrogen_Bond_Acceptor_Count	1
44565779	Molecular_Weight	302.37
17705	Defined_Atom_Stereo_Count	0
62281	Structure_Complexity	418
130509102	Molecular_Weight	114.15
135472946	Undefined_Atom_Stereo_Count	0
97994	Defined_Atom_Stereo_Count	0
66587032	Total_Formal_Charge	0
12702413	Undefined_Atom_Stereo_Count	0
400433	Defined_Atom_Stereo_Count	0
7820	Rotatable_Bond_Count	5
25102720	Hydrogen_Bond_Donor_Count	5
14499	Non-hydrogen_Atom_Count	7
398637	Non-hydrogen_Atom_Count	28
5941539	Structure_Complexity	577
17405	TPSA	142
158150	Tautomer_Count	1
24762	XLogP3-AA	7.8
13932052	Rotatable_Bond_Count	1
144416139	Rotatable_Bond_Count	1
16052007	Hydrogen_Bond_Acceptor_Count	7
20607223	Non-hydrogen_Atom_Count	8
55298701	Hydrogen_Bond_Acceptor_Count	2
90459541	Exact_Mass	109.052763847
69462477	Isotope_Atom_Count	0
93171	Defined_Bond_Stereo_Count	0
168884	Exact_Mass	471.16343
16218641	Defined_Bond_Stereo_Count	0
10127622	Hydrogen_Bond_Acceptor_Count	6
518516	TPSA	20.2
46936900	TPSA	169
60848	Total_Formal_Charge	0
12653319	Exact_Mass	117.078978594
77328	Hydrogen_Bond_Acceptor_Count	2
135463451	Undefined_Atom_Stereo_Count	0
163925	Hydrogen_Bond_Acceptor_Count	6
7812	Non-hydrogen_Atom_Count	8
5094	Undefined_Bond_Stereo_Count	0
2188	Defined_Bond_Stereo_Count	0
148449100	Undefined_Atom_Stereo_Count	2
117828099	Isotope_Atom_Count	0
2936	Exact_Mass	339.99604987
4173	Undefined_Bond_Stereo_Count	0
7771	Total_Formal_Charge	0
163872484	TPSA	279
68196	Defined_Atom_Stereo_Count	0
2132	Molecular_Weight	378.10
16409	Exact_Mass	366.02863691
15670683	Undefined_Bond_Stereo_Count	0
350667	Molecular_Weight	87.12
446308	Covalent_Unit_Count	1
123995	Molecular_Weight	740.2
601880	TPSA	63.6
145822437	Undefined_Atom_Stereo_Count	0
135398731	Non-hydrogen_Atom_Count	32
89399042	Hydrogen_Bond_Acceptor_Count	2
4517	XLogP3-AA	0.2
88440820	Non-hydrogen_Atom_Count	7
7019	Non-hydrogen_Atom_Count	15
55289794	Rotatable_Bond_Count	2
4075	Rotatable_Bond_Count	1
11788287	Molecular_Weight	116.16
136305611	Non-hydrogen_Atom_Count	8
146681183	Hydrogen_Bond_Acceptor_Count	5
70662473	Defined_Atom_Stereo_Count	1
25611	Hydrogen_Bond_Acceptor_Count	1
7877	Defined_Bond_Stereo_Count	0
11170991	Structure_Complexity	129
107720	Undefined_Bond_Stereo_Count	0
10176084	Hydrogen_Bond_Donor_Count	1
280526	Covalent_Unit_Count	2
5509	Structure_Complexity	347
91701304	Mono_Isotopic_Weight	100.027277375
53472683	TPSA	117
64964	Hydrogen_Bond_Donor_Count	4
72849	Non-hydrogen_Atom_Count	19
18410493	Undefined_Bond_Stereo_Count	0
17754075	Mono_Isotopic_Weight	115.063328530
62525	Molecular_Weight	431.10
664510	Hydrogen_Bond_Donor_Count	1
11285588	Exact_Mass	731.30002740
141112	Undefined_Bond_Stereo_Count	0
8573	Defined_Atom_Stereo_Count	0
547110	Covalent_Unit_Count	1
5371246	Total_Formal_Charge	0
47	Defined_Atom_Stereo_Count	0
2782524	Structure_Complexity	97.9
59202444	Defined_Bond_Stereo_Count	0
10384666	Hydrogen_Bond_Donor_Count	2
3890	Hydrogen_Bond_Acceptor_Count	5
79804	Mono_Isotopic_Weight	153.9159246
75633	XLogP3-AA	0.5
22660626	Rotatable_Bond_Count	0
118248246	Molecular_Weight	108.10
16218600	Hydrogen_Bond_Acceptor_Count	6
5351564	Undefined_Atom_Stereo_Count	0
4184	Exact_Mass	264.162648646
2720	Total_Formal_Charge	0
76966897	Mono_Isotopic_Weight	1608.51510
19089767	Mono_Isotopic_Weight	101.047678466
23622962	Structure_Complexity	226
193581	Defined_Bond_Stereo_Count	0
3032571	Exact_Mass	287.886175
3715	Hydrogen_Bond_Donor_Count	1
17473	Molecular_Weight	580.28
22507733	Undefined_Atom_Stereo_Count	0
25273236	Undefined_Atom_Stereo_Count	0
71622385	Defined_Atom_Stereo_Count	0
5573	Undefined_Bond_Stereo_Count	0
5359484	Structure_Complexity	292
16130957	Mono_Isotopic_Weight	1568.8423034
46871497	Defined_Atom_Stereo_Count	0
11953895	Tautomer_Count	1
6704	Covalent_Unit_Count	1
228	Mono_Isotopic_Weight	427.01989983
92406	Non-hydrogen_Atom_Count	20
226	Molecular_Weight	79.038
31426	TPSA	80
798232	Total_Formal_Charge	0
5486209	Molecular_Weight	197.24
12999933	Defined_Bond_Stereo_Count	0
83023	Molecular_Weight	433.46
110862	XLogP3-AA	0.3
6436126	Covalent_Unit_Count	1
14851	Exact_Mass	142.0185425
5288679	Molecular_Weight	384.4
12004215	Defined_Atom_Stereo_Count	9
226108	Structure_Complexity	64.4
520352	Isotope_Atom_Count	0
158770620	XLogP3-AA	1.8
8497	Hydrogen_Bond_Donor_Count	1
56661920	Non-hydrogen_Atom_Count	35
23379007	Total_Formal_Charge	0
61553086	Exact_Mass	118.099379685
68667	Defined_Bond_Stereo_Count	0
18542	Structure_Complexity	543
231360	Total_Formal_Charge	0
17792660	Mono_Isotopic_Weight	217.121512110
56463	Undefined_Atom_Stereo_Count	0
45358975	Defined_Bond_Stereo_Count	0
12358497	Total_Formal_Charge	0
19604	Molecular_Weight	268.70
71653	Defined_Atom_Stereo_Count	0
9846588	Structure_Complexity	573
2807	Undefined_Bond_Stereo_Count	2
24705318	Molecular_Weight	113.16
27755	Mono_Isotopic_Weight	417.08169844
6931238	TPSA	52
2811264	Covalent_Unit_Count	1
140639440	TPSA	61.2
19022508	Covalent_Unit_Count	1
12594991	Non-hydrogen_Atom_Count	6
22996964	Hydrogen_Bond_Donor_Count	0
24096961	Tautomer_Count	1
66249	Non-hydrogen_Atom_Count	39
51371732	Structure_Complexity	451
91370278	Covalent_Unit_Count	1
98493	Non-hydrogen_Atom_Count	7
44349928	Structure_Complexity	251
9823820	Undefined_Bond_Stereo_Count	0
98365	Undefined_Bond_Stereo_Count	0
3337411	Molecular_Weight	388.31
75783	TPSA	574
87106789	Undefined_Bond_Stereo_Count	0
5283313	Hydrogen_Bond_Donor_Count	1
16052015	Undefined_Bond_Stereo_Count	0
66615270	Isotope_Atom_Count	0
24743471	Rotatable_Bond_Count	3
118052411	TPSA	190
2569	Molecular_Weight	321.33
6436125	Undefined_Bond_Stereo_Count	0
56665391	Defined_Atom_Stereo_Count	0
129664338	Structure_Complexity	374
20524	XLogP3	0.3
5702285	Mono_Isotopic_Weight	263.0843696
77687	Undefined_Bond_Stereo_Count	0
87187801	TPSA	9.2
44387934	Defined_Bond_Stereo_Count	0
62705687	Defined_Atom_Stereo_Count	0
71160	Defined_Bond_Stereo_Count	0
90817017	Non-hydrogen_Atom_Count	20
440210	Non-hydrogen_Atom_Count	57
15983552	Structure_Complexity	650
96029	Molecular_Weight	175.14
18711468	Non-hydrogen_Atom_Count	7
73707	Isotope_Atom_Count	0
9956324	Undefined_Atom_Stereo_Count	0
188141	Tautomer_Count	2
12830793	Rotatable_Bond_Count	1
33938	Mono_Isotopic_Weight	212.120115130
58190401	Undefined_Atom_Stereo_Count	0
104741	Rotatable_Bond_Count	14
36565	Covalent_Unit_Count	1
1119	Exact_Mass	63.96190041
6433117	Exact_Mass	392.20999276
12531954	Mono_Isotopic_Weight	112.063662883
13037934	Total_Formal_Charge	0
6433573	Covalent_Unit_Count	1
191468	Non-hydrogen_Atom_Count	8
148118273	TPSA	0
91434	Rotatable_Bond_Count	4
9847164	Hydrogen_Bond_Acceptor_Count	5
176873	Non-hydrogen_Atom_Count	42
11389	Covalent_Unit_Count	1
4385988	TPSA	118
53325875	Hydrogen_Bond_Acceptor_Count	6
92303	Structure_Complexity	448
13107533	Exact_Mass	102.068079557
53183	XLogP3	3.2
54288820	TPSA	57.5
145768160	Hydrogen_Bond_Donor_Count	0
6504	Molecular_Weight	318.32
667639	Non-hydrogen_Atom_Count	18
12537312	Structure_Complexity	124
84647611	Hydrogen_Bond_Donor_Count	1
5479052	Rotatable_Bond_Count	9
160883	Undefined_Atom_Stereo_Count	0
1535935	Rotatable_Bond_Count	2
81531	Exact_Mass	129.151749610
935707	Isotope_Atom_Count	0
12769	Non-hydrogen_Atom_Count	10
3492020	Molecular_Weight	218.32
41432	Molecular_Weight	172.19
311438	Undefined_Bond_Stereo_Count	0
57394210	Rotatable_Bond_Count	8
6918178	Exact_Mass	484.1828081
139024314	TPSA	60.7
132846	Total_Formal_Charge	0
45214	Exact_Mass	301.019183
105024	Isotope_Atom_Count	0
137249786	Mono_Isotopic_Weight	538.30428706
94791	TPSA	40.6
5288033	Non-hydrogen_Atom_Count	19
57465876	Exact_Mass	98.060588879
56927704	Defined_Atom_Stereo_Count	8
10976469	Mono_Isotopic_Weight	199.02457404
20392	Defined_Atom_Stereo_Count	0
230373	Non-hydrogen_Atom_Count	7
83814964	Undefined_Bond_Stereo_Count	0
176870	TPSA	74.7
25014810	Exact_Mass	277.13274550
667448	Molecular_Weight	324.4
139194774	Non-hydrogen_Atom_Count	8
1179	Exact_Mass	836.27523133
7642	Rotatable_Bond_Count	22
9888340	Defined_Atom_Stereo_Count	2
69903	XLogP3-AA	1.5
6857536	Undefined_Bond_Stereo_Count	0
18999023	Isotope_Atom_Count	0
114831	Non-hydrogen_Atom_Count	12
145391309	Covalent_Unit_Count	1
7801	Total_Formal_Charge	0
91996	Hydrogen_Bond_Donor_Count	1
17126	Isotope_Atom_Count	0
114682	Rotatable_Bond_Count	2
5665	Structure_Complexity	112
443970	Undefined_Atom_Stereo_Count	0
6995749	Defined_Atom_Stereo_Count	0
161091	Total_Formal_Charge	0
193581	Isotope_Atom_Count	0
46937020	TPSA	186
208902	Undefined_Atom_Stereo_Count	0
9886286	Rotatable_Bond_Count	6
134129703	Undefined_Atom_Stereo_Count	1
94744	Covalent_Unit_Count	1
439051	Total_Formal_Charge	0
32698	Rotatable_Bond_Count	4
132500979	Hydrogen_Bond_Acceptor_Count	3
5057599	Hydrogen_Bond_Donor_Count	2
54516038	Non-hydrogen_Atom_Count	8
102501728	Exact_Mass	477.16885622
22779	Total_Formal_Charge	0
91365800	Defined_Bond_Stereo_Count	0
53396299	Defined_Bond_Stereo_Count	0
44452442	Undefined_Atom_Stereo_Count	1
17954	Structure_Complexity	294
87532	Hydrogen_Bond_Donor_Count	0
24131	Mono_Isotopic_Weight	304.03315060
5213	Undefined_Bond_Stereo_Count	0
9590	Undefined_Atom_Stereo_Count	0
536124	Non-hydrogen_Atom_Count	8
20055089	Rotatable_Bond_Count	5
224844	XLogP3-AA	2.3
9920369	XLogP3-AA	0.3
21349800	Mono_Isotopic_Weight	111.032028402
8373	Undefined_Bond_Stereo_Count	0
56955067	Hydrogen_Bond_Acceptor_Count	2
19354670	Non-hydrogen_Atom_Count	6
14944519	Rotatable_Bond_Count	21
3876660	Molecular_Weight	380.5
865	Rotatable_Bond_Count	6
17104	Covalent_Unit_Count	1
72200166	Defined_Atom_Stereo_Count	3
137018	Total_Formal_Charge	0
8257	XLogP3-AA	0.8
477	Defined_Atom_Stereo_Count	0
21185399	Rotatable_Bond_Count	1
62871	Isotope_Atom_Count	0
445319	Defined_Atom_Stereo_Count	0
138402871	Rotatable_Bond_Count	11
170750	Rotatable_Bond_Count	5
130038395	Defined_Bond_Stereo_Count	0
23332	Hydrogen_Bond_Acceptor_Count	5
694981	Tautomer_Count	2
155817681	Rotatable_Bond_Count	1
44558536	Defined_Bond_Stereo_Count	0
112322	Defined_Atom_Stereo_Count	0
250451	Undefined_Atom_Stereo_Count	0
6408	TPSA	0
5375200	Undefined_Bond_Stereo_Count	0
286157	Total_Formal_Charge	0
87365092	Rotatable_Bond_Count	3
6604438	Hydrogen_Bond_Donor_Count	4
7716	XLogP3	7.7
65975	XLogP3-AA	2
82507	Defined_Atom_Stereo_Count	0
24759	Hydrogen_Bond_Acceptor_Count	23
44225660	Hydrogen_Bond_Acceptor_Count	6
32468	TPSA	89.8
3843063	Undefined_Bond_Stereo_Count	0
20585	TPSA	89.5
15325996	Exact_Mass	95.037113783
23087774	Structure_Complexity	99.1
44644	Defined_Bond_Stereo_Count	0
136489	Non-hydrogen_Atom_Count	7
6677	Non-hydrogen_Atom_Count	34
2676	XLogP3-AA	3.6
123417941	Exact_Mass	102.079312947
139089144	Total_Formal_Charge	0
626366	Defined_Atom_Stereo_Count	0
102600809	Hydrogen_Bond_Donor_Count	6
42790	Exact_Mass	630.14908
3694570	XLogP3-AA	3.9
23684896	Hydrogen_Bond_Donor_Count	1
6044	Molecular_Weight	357.16
11500877	Covalent_Unit_Count	1
5354264	Exact_Mass	126.104465066
141233	Hydrogen_Bond_Acceptor_Count	0
72898	Undefined_Bond_Stereo_Count	0
636364	Exact_Mass	549.23159287
283242	Hydrogen_Bond_Acceptor_Count	2
9820186	TPSA	96.6
54899	Defined_Bond_Stereo_Count	0
71571512	Non-hydrogen_Atom_Count	36
75786	Undefined_Bond_Stereo_Count	0
1548968	Undefined_Bond_Stereo_Count	0
64356	Mono_Isotopic_Weight	267.0346565
11198850	Covalent_Unit_Count	1
21613900	Molecular_Weight	111.10
342681	XLogP3-AA	1.3
66270	Covalent_Unit_Count	1
12321787	Defined_Atom_Stereo_Count	1
93798	Molecular_Weight	475.3
252163	XLogP3	0.8
76430	Structure_Complexity	50.1
56658438	Covalent_Unit_Count	1
11040399	Structure_Complexity	2060
676328	Rotatable_Bond_Count	6
5765	Tautomer_Count	1
6537495	Non-hydrogen_Atom_Count	11
62802	Non-hydrogen_Atom_Count	16
493342	Non-hydrogen_Atom_Count	23
261790	Exact_Mass	867.49802062
66811197	Covalent_Unit_Count	1
72172	Total_Formal_Charge	0
6440938	Molecular_Weight	259.21
23616278	Molecular_Weight	92.57
71880	XLogP3-AA	2.6
24233	Structure_Complexity	30.5
146345448	Defined_Bond_Stereo_Count	0
656833	Undefined_Bond_Stereo_Count	0
53807546	XLogP3-AA	0.8
14717795	Covalent_Unit_Count	1
2723816	Mono_Isotopic_Weight	96.01872368
5288252	TPSA	111
287350	Covalent_Unit_Count	1
5205	Covalent_Unit_Count	1
50128	Covalent_Unit_Count	2
136097	Exact_Mass	111.104799419
8713	Hydrogen_Bond_Acceptor_Count	2
44520	Mono_Isotopic_Weight	224.201439453
67416	Tautomer_Count	1
84063979	Covalent_Unit_Count	1
33032	Non-hydrogen_Atom_Count	10
3813	Mono_Isotopic_Weight	467.14812078
127054492	Defined_Bond_Stereo_Count	0
18718394	Hydrogen_Bond_Donor_Count	0
5281243	Structure_Complexity	1270
6718	Tautomer_Count	1
18618975	Structure_Complexity	72.5
10249057	Isotope_Atom_Count	0
23263	Mono_Isotopic_Weight	234.090546336
84072504	Exact_Mass	113.047678466
544792	Exact_Mass	85.089149355
83946	Rotatable_Bond_Count	7
52361	Defined_Bond_Stereo_Count	0
1910825	Exact_Mass	369.19400834
694652	Molecular_Weight	329.4
129847163	Isotope_Atom_Count	0
23714994	Defined_Bond_Stereo_Count	1
21622656	Defined_Atom_Stereo_Count	0
126521	TPSA	167
1747	Total_Formal_Charge	0
441393	Structure_Complexity	976
31364	Structure_Complexity	205
96198	Tautomer_Count	1
9454	TPSA	71.1
101089158	Hydrogen_Bond_Donor_Count	1
60196414	Isotope_Atom_Count	0
88976	Defined_Atom_Stereo_Count	0
10898650	Non-hydrogen_Atom_Count	8
49007	Defined_Atom_Stereo_Count	0
70807	Covalent_Unit_Count	1
10419	Mono_Isotopic_Weight	54.0469501914
67497	Exact_Mass	184.03467143
43013	Hydrogen_Bond_Donor_Count	1
7897	Non-hydrogen_Atom_Count	6
453131	Rotatable_Bond_Count	3
11743862	Mono_Isotopic_Weight	438.10832773
14027412	Molecular_Weight	113.16
139033724	Mono_Isotopic_Weight	3035.1547236
157641	Structure_Complexity	120
447145	Mono_Isotopic_Weight	463.07404340
7910	Structure_Complexity	41.4
11494412	Defined_Atom_Stereo_Count	2
11270783	Defined_Bond_Stereo_Count	0
105037	Defined_Bond_Stereo_Count	0
546482	Non-hydrogen_Atom_Count	21
486543	Structure_Complexity	880
129629392	Isotope_Atom_Count	1
12432039	Rotatable_Bond_Count	0
101601898	Molecular_Weight	304.4
18442682	Molecular_Weight	113.16
11732	Undefined_Atom_Stereo_Count	1
14078850	XLogP3-AA	4
13087266	XLogP3-AA	1.5
60196432	Mono_Isotopic_Weight	255.831566
1211493	Molecular_Weight	282.12
19775133	Defined_Atom_Stereo_Count	0
22728753	Undefined_Bond_Stereo_Count	0
50142	Molecular_Weight	294.5
71734	Undefined_Bond_Stereo_Count	0
58024825	Covalent_Unit_Count	1
29249	Mono_Isotopic_Weight	326.19156599
15007	Molecular_Weight	250.33
65360	Exact_Mass	207.05652907
2992	Exact_Mass	212.10485899
129688311	Exact_Mass	1030.35880530
83363	Mono_Isotopic_Weight	270.140850574
89415004	Exact_Mass	116.083729621
62383	Structure_Complexity	57.6
6289935	Total_Formal_Charge	0
67473	Total_Formal_Charge	0
124600	Covalent_Unit_Count	1
58375	Rotatable_Bond_Count	5
33477	Structure_Complexity	774
12560	Hydrogen_Bond_Acceptor_Count	14
16490	TPSA	94.8
69189	TPSA	63.3
7250	Molecular_Weight	121.18
5707	Tautomer_Count	8
133832	Hydrogen_Bond_Donor_Count	0
11789150	Exact_Mass	109.052763847
5266	Rotatable_Bond_Count	11
132939819	Mono_Isotopic_Weight	181.06674293
57397290	Non-hydrogen_Atom_Count	36
22408669	Isotope_Atom_Count	0
131664	Total_Formal_Charge	0
163460608	Hydrogen_Bond_Acceptor_Count	1
869	Defined_Bond_Stereo_Count	0
72200722	Undefined_Atom_Stereo_Count	0
6437850	Covalent_Unit_Count	1
6509870	Covalent_Unit_Count	1
5885030	Non-hydrogen_Atom_Count	26
7762	Total_Formal_Charge	0
18980	Isotope_Atom_Count	0
53825954	Exact_Mass	446.26683893
6131	Total_Formal_Charge	0
22673292	Exact_Mass	106.062994177
12223113	TPSA	0
88888	Hydrogen_Bond_Acceptor_Count	1
26423	Exact_Mass	319.925559
1261	Molecular_Weight	327.1
12407	Rotatable_Bond_Count	23
458821	Hydrogen_Bond_Donor_Count	4
16134409	Isotope_Atom_Count	0
9810771	Defined_Atom_Stereo_Count	1
5284633	Non-hydrogen_Atom_Count	32
4896	Defined_Atom_Stereo_Count	0
3080938	XLogP3-AA	17.3
78858	Isotope_Atom_Count	0
145721395	Molecular_Weight	840.3
9494	Defined_Atom_Stereo_Count	0
12971800	Defined_Atom_Stereo_Count	1
9823781	Defined_Atom_Stereo_Count	1
1180	Non-hydrogen_Atom_Count	60
7211	Undefined_Atom_Stereo_Count	2
107327	Exact_Mass	226.229665576
285886	Exact_Mass	284.120115130
140273	Molecular_Weight	113.16
18636	TPSA	18.5
72200671	Defined_Atom_Stereo_Count	3
17607	Non-hydrogen_Atom_Count	5
14508	Covalent_Unit_Count	1
14378821	Exact_Mass	100.052429494
2745	Defined_Atom_Stereo_Count	0
9953	Rotatable_Bond_Count	3
9543026	TPSA	389
10347891	Undefined_Bond_Stereo_Count	0
3034372	Structure_Complexity	106
64148	Molecular_Weight	240.3
260496	Exact_Mass	113.084063974
442972	Defined_Atom_Stereo_Count	10
7807	TPSA	26
81837	Mono_Isotopic_Weight	153.078978594
3401849	Exact_Mass	123.03539970
126664809	XLogP3	0.9
5461	Isotope_Atom_Count	0
16323	Molecular_Weight	188.65
67108485	TPSA	21.3
65728	Defined_Bond_Stereo_Count	0
2356	Total_Formal_Charge	0
13795008	XLogP3-AA	0.6
1714204	Isotope_Atom_Count	0
518733	Total_Formal_Charge	0
154701841	Rotatable_Bond_Count	5
60200126	Undefined_Bond_Stereo_Count	0
71412	Undefined_Bond_Stereo_Count	0
5318042	Mono_Isotopic_Weight	100.088815002
179338	Defined_Atom_Stereo_Count	0
71352766	Non-hydrogen_Atom_Count	20
101260859	Isotope_Atom_Count	0
7618	Tautomer_Count	1
693959	Rotatable_Bond_Count	3
23676152	Isotope_Atom_Count	0
667490	Hydrogen_Bond_Donor_Count	2
73433376	Isotope_Atom_Count	0
5005	Non-hydrogen_Atom_Count	32
7938	Molecular_Weight	108.14
31477	Rotatable_Bond_Count	8
5378	Defined_Atom_Stereo_Count	0
129711468	Hydrogen_Bond_Acceptor_Count	3
5238	Structure_Complexity	2
22390912	Isotope_Atom_Count	0
6971007	Hydrogen_Bond_Acceptor_Count	6
135564632	Exact_Mass	289.0618043
53701761	Defined_Bond_Stereo_Count	0
54023641	TPSA	37.3
15720326	Non-hydrogen_Atom_Count	12
13019077	Undefined_Bond_Stereo_Count	0
10442928	Mono_Isotopic_Weight	204.187800766
12383043	Undefined_Atom_Stereo_Count	0
57384039	Mono_Isotopic_Weight	371.14945819
21057641	Covalent_Unit_Count	1
123661139	Isotope_Atom_Count	0
50397	Non-hydrogen_Atom_Count	12
135398742	Rotatable_Bond_Count	8
87157524	Hydrogen_Bond_Acceptor_Count	4
5606	Isotope_Atom_Count	0
26068	Molecular_Weight	156.26
5479	Defined_Bond_Stereo_Count	0
3839223	TPSA	60.4
87468707	Covalent_Unit_Count	1
91003779	Undefined_Bond_Stereo_Count	0
5834	Undefined_Atom_Stereo_Count	0
10316	Undefined_Atom_Stereo_Count	0
69102	Rotatable_Bond_Count	0
176015	Total_Formal_Charge	0
12534276	Defined_Bond_Stereo_Count	0
153241	Non-hydrogen_Atom_Count	33
66969	Non-hydrogen_Atom_Count	8
34591	Defined_Bond_Stereo_Count	0
14619651	Hydrogen_Bond_Acceptor_Count	4
68770	Hydrogen_Bond_Acceptor_Count	4
31493	Total_Formal_Charge	0
45267632	Hydrogen_Bond_Donor_Count	2
400	Hydrogen_Bond_Acceptor_Count	2
18364965	Defined_Atom_Stereo_Count	0
10290744	Defined_Atom_Stereo_Count	0
33191	Exact_Mass	176.120115130
441174	Non-hydrogen_Atom_Count	41
236745	Molecular_Weight	269.72
45116667	XLogP3-AA	0.4
174	Hydrogen_Bond_Donor_Count	2
59473233	Structure_Complexity	595
911106	TPSA	32.7
3000668	Molecular_Weight	305.4
18758985	Molecular_Weight	99.09
398638	Exact_Mass	333.15896025
121834	Molecular_Weight	308.35
56842037	Total_Formal_Charge	0
5342002	Hydrogen_Bond_Donor_Count	0
53643991	Hydrogen_Bond_Donor_Count	2
87724106	Defined_Bond_Stereo_Count	0
74944	Undefined_Atom_Stereo_Count	0
51346808	Structure_Complexity	638
5553	Rotatable_Bond_Count	21
40473193	TPSA	147
16220172	Isotope_Atom_Count	0
903755	Defined_Bond_Stereo_Count	0
123358	Isotope_Atom_Count	0
91756	Structure_Complexity	641
28003	Defined_Atom_Stereo_Count	0
13180929	Molecular_Weight	108.14
59248882	Mono_Isotopic_Weight	631.24807216
12475877	Mono_Isotopic_Weight	120.02450067
3657	Structure_Complexity	42.9
24090	Hydrogen_Bond_Acceptor_Count	0
29494	Defined_Atom_Stereo_Count	0
11476710	Mono_Isotopic_Weight	460.1180685
53903478	Rotatable_Bond_Count	1
91199926	Non-hydrogen_Atom_Count	8
2392	TPSA	84.1
9812790	Hydrogen_Bond_Donor_Count	0
13933900	Rotatable_Bond_Count	1
722533	Defined_Bond_Stereo_Count	0
5373773	Isotope_Atom_Count	0
10148993	Undefined_Bond_Stereo_Count	0
23644194	Mono_Isotopic_Weight	730.46291296
129760051	Rotatable_Bond_Count	40
2455	Hydrogen_Bond_Donor_Count	1
410906	Hydrogen_Bond_Acceptor_Count	8
86248095	XLogP3-AA	0.7
44310707	Mono_Isotopic_Weight	375.21580641
59144	Total_Formal_Charge	0
131704245	Undefined_Atom_Stereo_Count	0
102090390	Hydrogen_Bond_Acceptor_Count	0
85531465	XLogP3-AA	0.1
65332	Rotatable_Bond_Count	6
159982	Molecular_Weight	394.4
129834562	Isotope_Atom_Count	0
11550004	Hydrogen_Bond_Donor_Count	1
18459757	Defined_Bond_Stereo_Count	0
77751	Defined_Bond_Stereo_Count	0
24117	Tautomer_Count	1
10727124	Undefined_Bond_Stereo_Count	0
12962	Total_Formal_Charge	0
4744464	XLogP3-AA	1.7
12701401	Exact_Mass	112.088815002
91250151	TPSA	17.1
92247	Hydrogen_Bond_Acceptor_Count	1
76223467	Non-hydrogen_Atom_Count	6
54961	Hydrogen_Bond_Donor_Count	0
23926	Defined_Bond_Stereo_Count	0
3073763	Molecular_Weight	208.69
550655	Covalent_Unit_Count	1
135565106	Hydrogen_Bond_Donor_Count	2
12118	Molecular_Weight	191.27
1549133	Undefined_Atom_Stereo_Count	0
126981343	Exact_Mass	114.104465066
524653	Undefined_Atom_Stereo_Count	2
616172	Undefined_Atom_Stereo_Count	0
73538	Undefined_Atom_Stereo_Count	0
57398150	Defined_Atom_Stereo_Count	1
12120	Structure_Complexity	95.3
97842	Isotope_Atom_Count	0
119607	Undefined_Bond_Stereo_Count	0
134688930	Non-hydrogen_Atom_Count	23
129834519	Exact_Mass	500.93928053
71450704	Exact_Mass	486.16853912
562176	Hydrogen_Bond_Donor_Count	0
5491906	Isotope_Atom_Count	0
123755	Molecular_Weight	376.3
11400746	Hydrogen_Bond_Acceptor_Count	3
520907	Molecular_Weight	101.19
11575	Total_Formal_Charge	0
54369	Covalent_Unit_Count	1
22234	Undefined_Atom_Stereo_Count	1
107963	Isotope_Atom_Count	0
537677	Covalent_Unit_Count	1
62705686	Defined_Bond_Stereo_Count	0
62140646	Rotatable_Bond_Count	2
139087380	XLogP3-AA	6.8
22859	Non-hydrogen_Atom_Count	32
90736006	Molecular_Weight	110.20
12266719	Hydrogen_Bond_Acceptor_Count	1
53992	Undefined_Bond_Stereo_Count	0
56679112	Molecular_Weight	341.4
146158553	Defined_Atom_Stereo_Count	1
17676	Hydrogen_Bond_Donor_Count	1
5281437	Tautomer_Count	1
53489	Hydrogen_Bond_Donor_Count	2
67259543	Mono_Isotopic_Weight	109.016378338
2393	Hydrogen_Bond_Donor_Count	10
5281099	Exact_Mass	665.30474055
68928	Undefined_Atom_Stereo_Count	1
10240761	Defined_Bond_Stereo_Count	0
22565	XLogP3-AA	3.1
687044	Defined_Bond_Stereo_Count	0
334657	Undefined_Atom_Stereo_Count	0
247974	TPSA	57.5
72926	Isotope_Atom_Count	0
6602154	Structure_Complexity	457
53316388	Undefined_Atom_Stereo_Count	0
139054114	Non-hydrogen_Atom_Count	42
11358077	Tautomer_Count	1
81653	Tautomer_Count	1
17150	Structure_Complexity	707
11432307	Structure_Complexity	777
12248518	Hydrogen_Bond_Donor_Count	0
28280	Structure_Complexity	246
12184591	Rotatable_Bond_Count	9
126514322	Total_Formal_Charge	0
140535901	Exact_Mass	95.048347172
70310	Undefined_Atom_Stereo_Count	0
123223196	Covalent_Unit_Count	1
2444	Structure_Complexity	258
36688153	Exact_Mass	288.175224706
53628440	Defined_Bond_Stereo_Count	0
94221	Molecular_Weight	152.23
53828439	Undefined_Atom_Stereo_Count	0
4110039	Molecular_Weight	132.16
439240	Structure_Complexity	117
39929	Undefined_Bond_Stereo_Count	0
91936940	Undefined_Atom_Stereo_Count	0
30822	XLogP3-AA	2.2
3034285	XLogP3-AA	3.7
68079	Rotatable_Bond_Count	2
440968	Defined_Atom_Stereo_Count	2
154489025	XLogP3-AA	0.2
416793	Undefined_Atom_Stereo_Count	0
16211839	Tautomer_Count	1
138948	Isotope_Atom_Count	0
44310002	Covalent_Unit_Count	1
509147	Mono_Isotopic_Weight	296.12214376
188205	Covalent_Unit_Count	1
3001055	Defined_Bond_Stereo_Count	1
219023	Molecular_Weight	398.4
17787271	Defined_Bond_Stereo_Count	0
2786	Covalent_Unit_Count	1
57390217	Exact_Mass	513.27399000
55287682	Undefined_Bond_Stereo_Count	0
51030054	Non-hydrogen_Atom_Count	30
5404	Exact_Mass	531.1803953
87825887	Molecular_Weight	107.11
18636	Undefined_Atom_Stereo_Count	0
20477345	Molecular_Weight	192.18
11387409	Mono_Isotopic_Weight	514.9921034
162014	Hydrogen_Bond_Donor_Count	3
76871762	Covalent_Unit_Count	2
20179	Defined_Bond_Stereo_Count	0
72200631	XLogP3-AA	3.6
85694	Mono_Isotopic_Weight	398.28209507
6918331	Mono_Isotopic_Weight	432.18854386
5702098	Undefined_Bond_Stereo_Count	0
95883	Mono_Isotopic_Weight	161.06880783
10113430	Total_Formal_Charge	0
18632	TPSA	12.5
104804	Structure_Complexity	91.5
8022	Exact_Mass	71.037113783
3672	Isotope_Atom_Count	0
25006686	XLogP3-AA	4.7
67356	Molecular_Weight	510.4
13912815	Mono_Isotopic_Weight	328.13107373
93050	Molecular_Weight	112.17
14524652	Rotatable_Bond_Count	0
45456	Molecular_Weight	291.5
246	Hydrogen_Bond_Acceptor_Count	5
447407	Defined_Bond_Stereo_Count	0
13205839	TPSA	29
53480934	Hydrogen_Bond_Acceptor_Count	8
59952	Defined_Bond_Stereo_Count	0
86614862	Non-hydrogen_Atom_Count	21
64927	Undefined_Atom_Stereo_Count	1
19431	TPSA	209
9809	Molecular_Weight	270.55
746471	XLogP3-AA	1.2
16049769	Rotatable_Bond_Count	5
134836185	TPSA	35.2
73877	TPSA	20.2
101554	Rotatable_Bond_Count	1
71835	Isotope_Atom_Count	0
519247	Total_Formal_Charge	0
57369982	Hydrogen_Bond_Acceptor_Count	7
3032338	TPSA	70.1
78916	Non-hydrogen_Atom_Count	30
168924	Total_Formal_Charge	0
79960033	Isotope_Atom_Count	0
135434844	Molecular_Weight	1145.3
9639	Molecular_Weight	338.04
154825555	Undefined_Atom_Stereo_Count	1
261166	Defined_Bond_Stereo_Count	0
237873	Defined_Bond_Stereo_Count	0
89859387	Defined_Atom_Stereo_Count	0
98086793	Structure_Complexity	418
81263	Defined_Bond_Stereo_Count	0
245005	TPSA	153
5365811	XLogP3-AA	1.2
25137911	Hydrogen_Bond_Donor_Count	0
13134	Molecular_Weight	126.05
126977538	Covalent_Unit_Count	1
78435478	Non-hydrogen_Atom_Count	23
107744	Molecular_Weight	277.08
154083	Rotatable_Bond_Count	2
9158	XLogP3	6.4
20483578	Molecular_Weight	112.13
138106567	Exact_Mass	1322.0938467
14783	Isotope_Atom_Count	0
240373	Isotope_Atom_Count	0
2210	Non-hydrogen_Atom_Count	24
40391	Hydrogen_Bond_Acceptor_Count	2
18139	Molecular_Weight	226.27
135013065	Defined_Atom_Stereo_Count	0
62300	TPSA	23.6
12372	Non-hydrogen_Atom_Count	8
132596289	Total_Formal_Charge	0
11987858	Mono_Isotopic_Weight	99.032028402
5790	Undefined_Atom_Stereo_Count	0
3637	TPSA	63.8
5288845	Mono_Isotopic_Weight	118.099379685
163050684	Total_Formal_Charge	0
44310721	Mono_Isotopic_Weight	415.1429471
49248	Total_Formal_Charge	0
7102	Total_Formal_Charge	0
163722493	Mono_Isotopic_Weight	95.073499291
20633892	Mono_Isotopic_Weight	112.088815002
134399	Mono_Isotopic_Weight	129.115364102
8400	Mono_Isotopic_Weight	212.083729621
78438	Structure_Complexity	345
12563	Exact_Mass	168.093900383
149362669	Mono_Isotopic_Weight	98.073164938
16412	Non-hydrogen_Atom_Count	15
68363	Defined_Atom_Stereo_Count	0
9886086	Exact_Mass	378.10718492
41583	Hydrogen_Bond_Acceptor_Count	4
12451640	Covalent_Unit_Count	1
44349928	TPSA	62.9
123891134	Rotatable_Bond_Count	1
3034285	Hydrogen_Bond_Donor_Count	0
31246	Defined_Atom_Stereo_Count	0
11622593	Defined_Bond_Stereo_Count	0
22125	Rotatable_Bond_Count	0
143047391	Molecular_Weight	87.12
5460822	Undefined_Bond_Stereo_Count	0
786	Non-hydrogen_Atom_Count	15
185460	Hydrogen_Bond_Acceptor_Count	5
87524	TPSA	87
7215	Exact_Mass	264.07886217
35717	Structure_Complexity	235
57179768	Undefined_Atom_Stereo_Count	0
136394	Tautomer_Count	1
10267	Rotatable_Bond_Count	6
7465	Undefined_Atom_Stereo_Count	0
9811611	Rotatable_Bond_Count	10
69957602	Exact_Mass	113.084063974
23677971	Tautomer_Count	1
133083079	Mono_Isotopic_Weight	1825.89989849
78683	Molecular_Weight	116.20
21952893	Isotope_Atom_Count	0
5413034	Total_Formal_Charge	0
178096	Hydrogen_Bond_Donor_Count	2
75240	TPSA	38
37366	Undefined_Atom_Stereo_Count	0
20055414	Covalent_Unit_Count	1
4502	TPSA	270
282001	Defined_Atom_Stereo_Count	0
23668516	Undefined_Bond_Stereo_Count	0
57286318	Defined_Atom_Stereo_Count	0
71460947	Undefined_Atom_Stereo_Count	0
67437	Non-hydrogen_Atom_Count	11
149127983	Defined_Bond_Stereo_Count	0
17868	Isotope_Atom_Count	0
9228	Hydrogen_Bond_Acceptor_Count	2
147707442	Defined_Atom_Stereo_Count	10
21625926	Undefined_Atom_Stereo_Count	0
17930361	Total_Formal_Charge	0
14670	Non-hydrogen_Atom_Count	20
20197984	Mono_Isotopic_Weight	100.052429494
4351	Structure_Complexity	152
439240	Defined_Atom_Stereo_Count	3
62582	Rotatable_Bond_Count	14
29025	Undefined_Atom_Stereo_Count	2
62546	Rotatable_Bond_Count	18
16080117	Rotatable_Bond_Count	2
664136	Defined_Bond_Stereo_Count	0
69064	Total_Formal_Charge	0
54751657	Structure_Complexity	971
71752170	Defined_Atom_Stereo_Count	5
535870	Undefined_Bond_Stereo_Count	0
12167465	Mono_Isotopic_Weight	182.98693043
9887712	Covalent_Unit_Count	1
44814409	Undefined_Atom_Stereo_Count	0
97268	Hydrogen_Bond_Acceptor_Count	4
6438372	Isotope_Atom_Count	0
26058	Hydrogen_Bond_Acceptor_Count	0
6433415	Undefined_Bond_Stereo_Count	0
14228	Defined_Atom_Stereo_Count	0
23643935	Total_Formal_Charge	0
192197	Defined_Atom_Stereo_Count	2
123935295	Total_Formal_Charge	0
66409	Molecular_Weight	426.6
89602862	Molecular_Weight	113.07
55278707	Covalent_Unit_Count	1
6549	Undefined_Atom_Stereo_Count	1
25324	Hydrogen_Bond_Acceptor_Count	2
185792	Defined_Bond_Stereo_Count	0
12576852	Non-hydrogen_Atom_Count	8
208880	Non-hydrogen_Atom_Count	8
4964	Rotatable_Bond_Count	2
14920523	Rotatable_Bond_Count	1
15951509	Total_Formal_Charge	0
440707	Exact_Mass	346.21440943
68365445	Mono_Isotopic_Weight	112.027277375
13757963	Rotatable_Bond_Count	0
7025	Hydrogen_Bond_Donor_Count	1
522354	Structure_Complexity	70.8
84042	Isotope_Atom_Count	0
7303	Hydrogen_Bond_Donor_Count	0
62143	Non-hydrogen_Atom_Count	11
36302	Defined_Atom_Stereo_Count	0
91778	Rotatable_Bond_Count	4
22038	Undefined_Atom_Stereo_Count	2
2646	Covalent_Unit_Count	1
135977933	Isotope_Atom_Count	1
33572	Covalent_Unit_Count	1
26310	Exact_Mass	326.0548604
19065710	Undefined_Atom_Stereo_Count	1
11979606	Hydrogen_Bond_Acceptor_Count	14
65746	Hydrogen_Bond_Acceptor_Count	2
129662960	Structure_Complexity	275
117476	Non-hydrogen_Atom_Count	7
23663397	Molecular_Weight	541.6
76716	Molecular_Weight	350.4
571736	Hydrogen_Bond_Donor_Count	1
8101	Defined_Bond_Stereo_Count	0
2530251	Defined_Atom_Stereo_Count	0
5489410	Defined_Bond_Stereo_Count	1
57394709	Undefined_Bond_Stereo_Count	0
44225660	Molecular_Weight	535.8
18392	Isotope_Atom_Count	0
442072	Undefined_Bond_Stereo_Count	0
59557415	Non-hydrogen_Atom_Count	8
5282367	Covalent_Unit_Count	1
70301	Molecular_Weight	150.18
13040869	Rotatable_Bond_Count	1
213049	Structure_Complexity	745
6419108	TPSA	58.6
79004	Undefined_Atom_Stereo_Count	1
71312086	Structure_Complexity	432
26295	Structure_Complexity	175
57394212	Non-hydrogen_Atom_Count	30
61594	Covalent_Unit_Count	1
69851383	Undefined_Bond_Stereo_Count	1
191	Total_Formal_Charge	0
9973981	TPSA	21.7
91820403	Isotope_Atom_Count	0
14283	Non-hydrogen_Atom_Count	9
44571	Hydrogen_Bond_Acceptor_Count	3
12383661	Defined_Atom_Stereo_Count	0
94948	Undefined_Atom_Stereo_Count	0
34870	Isotope_Atom_Count	0
78352	Molecular_Weight	483.0
78933	Tautomer_Count	1
11247	Mono_Isotopic_Weight	263.98773
18622372	Hydrogen_Bond_Donor_Count	0
9920369	Hydrogen_Bond_Acceptor_Count	2
512984	Hydrogen_Bond_Acceptor_Count	5
69501250	Defined_Bond_Stereo_Count	0
86289068	Undefined_Bond_Stereo_Count	0
154803918	Structure_Complexity	1220
2733514	TPSA	134
70695654	Total_Formal_Charge	0
129681809	Defined_Atom_Stereo_Count	0
45280821	Defined_Bond_Stereo_Count	0
57420151	Rotatable_Bond_Count	0
9964	TPSA	26
91084145	Total_Formal_Charge	0
7098630	Total_Formal_Charge	0
21614503	XLogP3-AA	0.6
5329055	XLogP3-AA	4.9
91172822	XLogP3-AA	5.1
25271787	XLogP3-AA	0.3
57394711	Defined_Bond_Stereo_Count	0
57197748	Mono_Isotopic_Weight	180.06338810
8811	Tautomer_Count	1
22386270	TPSA	44.3
10477191	Defined_Atom_Stereo_Count	1
70163	Mono_Isotopic_Weight	202.062994177
70014	Hydrogen_Bond_Acceptor_Count	4
91468	Tautomer_Count	2
1550213	Tautomer_Count	1
16129809	Exact_Mass	1131.32532709
123966800	Rotatable_Bond_Count	0
103528	Molecular_Weight	210.27
57254473	Hydrogen_Bond_Donor_Count	0
67818	Molecular_Weight	364.06
9897	XLogP3-AA	1
953	Structure_Complexity	200
91285707	Defined_Bond_Stereo_Count	0
6331630	XLogP3-AA	1.1
439950	Defined_Bond_Stereo_Count	0
142959	Molecular_Weight	116.07
2507	Undefined_Atom_Stereo_Count	1
4008	XLogP3	5.6
17572266	Undefined_Bond_Stereo_Count	0
24219262	Undefined_Atom_Stereo_Count	0
43558819	Structure_Complexity	122
73449854	Mono_Isotopic_Weight	636.15196282
139852	Rotatable_Bond_Count	2
5639	TPSA	68.4
445858	Rotatable_Bond_Count	3
2440	XLogP3	2.1
44119936	XLogP3-AA	4
14781907	Mono_Isotopic_Weight	101.084063974
5921	TPSA	32.7
177870	Undefined_Bond_Stereo_Count	0
154132	Molecular_Weight	355.3
2299	Non-hydrogen_Atom_Count	32
398658	Hydrogen_Bond_Donor_Count	1
18360	Defined_Atom_Stereo_Count	0
19254	Molecular_Weight	262.30
23703979	Defined_Atom_Stereo_Count	0
77312	XLogP3-AA	0.9
17754438	Defined_Atom_Stereo_Count	0
6062	Undefined_Bond_Stereo_Count	0
16097729	TPSA	235
2372	Covalent_Unit_Count	1
13083754	Molecular_Weight	112.17
2384	Undefined_Atom_Stereo_Count	0
5276520	Total_Formal_Charge	0
18934227	Exact_Mass	99.032028402
44280082	TPSA	71.5
11397	Covalent_Unit_Count	1
159812	Hydrogen_Bond_Donor_Count	4
66683200	Hydrogen_Bond_Donor_Count	1
15774823	Hydrogen_Bond_Donor_Count	0
9458	Total_Formal_Charge	0
135473834	Undefined_Bond_Stereo_Count	0
11073538	Defined_Bond_Stereo_Count	0
71355988	Isotope_Atom_Count	0
129638074	Non-hydrogen_Atom_Count	31
54193461	Exact_Mass	85.052763847
24721540	Hydrogen_Bond_Acceptor_Count	18
125286694	Mono_Isotopic_Weight	842.51400504
7778	Molecular_Weight	184.27
4090	Rotatable_Bond_Count	5
24229456	Mono_Isotopic_Weight	108.032362755
14453671	Covalent_Unit_Count	1
70623	Isotope_Atom_Count	0
3392731	Hydrogen_Bond_Donor_Count	2
5367784	XLogP3	9.2
843179	TPSA	82.8
8855	Defined_Atom_Stereo_Count	0
67240514	Exact_Mass	96.032362755
404566	Molecular_Weight	315.5
7393	TPSA	20.2
11750009	Rotatable_Bond_Count	5
44344734	Covalent_Unit_Count	1
151090	TPSA	43.8
287064	Defined_Atom_Stereo_Count	0
589409	Defined_Atom_Stereo_Count	0
68666	Non-hydrogen_Atom_Count	31
142101289	Hydrogen_Bond_Acceptor_Count	3
21122	Mono_Isotopic_Weight	112.125200510
86811394	Mono_Isotopic_Weight	373.97117
4479912	Rotatable_Bond_Count	10
75614	Rotatable_Bond_Count	5
130153178	Undefined_Bond_Stereo_Count	0
8172	Undefined_Atom_Stereo_Count	0
23163355	Defined_Atom_Stereo_Count	0
135887824	Undefined_Atom_Stereo_Count	4
34461	TPSA	67.6
6733	Molecular_Weight	230.26
60814	Total_Formal_Charge	0
55286536	Exact_Mass	113.058911855
1201445	Non-hydrogen_Atom_Count	8
3823	Isotope_Atom_Count	0
20974	Non-hydrogen_Atom_Count	14
53626	Tautomer_Count	1
17992338	Mono_Isotopic_Weight	100.063662883
216237	Defined_Bond_Stereo_Count	0
148539	Exact_Mass	132.0341926
134669	Total_Formal_Charge	0
35056	Structure_Complexity	154
62329	Non-hydrogen_Atom_Count	21
752860	Non-hydrogen_Atom_Count	23
541123	Exact_Mass	380.19990218
1312	Defined_Bond_Stereo_Count	0
31227	Mono_Isotopic_Weight	178.135765193
13033202	Mono_Isotopic_Weight	98.048012819
9823454	Defined_Atom_Stereo_Count	1
12313523	Undefined_Bond_Stereo_Count	0
62705686	Isotope_Atom_Count	0
721938	Undefined_Bond_Stereo_Count	0
163000376	Total_Formal_Charge	0
71679410	Structure_Complexity	688
5470	Exact_Mass	312.208930132
46229348	Isotope_Atom_Count	0
185554	Defined_Bond_Stereo_Count	0
13756	Total_Formal_Charge	0
6324103	Hydrogen_Bond_Acceptor_Count	2
928367	Rotatable_Bond_Count	0
20250	Molecular_Weight	223.5
3690	Defined_Bond_Stereo_Count	0
252499	XLogP3-AA	2.5
2457	Undefined_Atom_Stereo_Count	0
13530	Mono_Isotopic_Weight	159.924948
2756017	Undefined_Bond_Stereo_Count	0
84481	Defined_Bond_Stereo_Count	0
15950376	Covalent_Unit_Count	1
16204530	Molecular_Weight	174.33
5388937	Isotope_Atom_Count	0
16224456	Hydrogen_Bond_Acceptor_Count	7
26444	Total_Formal_Charge	0
447546	Non-hydrogen_Atom_Count	33
73334	Isotope_Atom_Count	0
6419765	Exact_Mass	261.05719778
6078	Mono_Isotopic_Weight	379.2026549
61017	Molecular_Weight	129.24
66265	TPSA	12
13399	XLogP3-AA	1.2
23696523	Defined_Atom_Stereo_Count	0
2734172	Molecular_Weight	199.72
43116	Hydrogen_Bond_Acceptor_Count	14
85570	Tautomer_Count	1
25171607	Undefined_Bond_Stereo_Count	0
61633	TPSA	34.1
253350	Covalent_Unit_Count	1
82	Tautomer_Count	1
3083	Non-hydrogen_Atom_Count	37
129688356	Molecular_Weight	235.26
6443013	Defined_Bond_Stereo_Count	2
97469	Structure_Complexity	159
15642161	Covalent_Unit_Count	1
57674785	Exact_Mass	111.068413911
26318	Hydrogen_Bond_Acceptor_Count	0
705388	Covalent_Unit_Count	1
53903478	Molecular_Weight	197.26
124226574	Undefined_Bond_Stereo_Count	0
85976378	Undefined_Atom_Stereo_Count	2
9940999	Molecular_Weight	419.2
451239	TPSA	0
99416	Exact_Mass	265.14264148
71681166	Isotope_Atom_Count	0
86295112	Molecular_Weight	340.4
10991686	Defined_Bond_Stereo_Count	3
20139920	Defined_Atom_Stereo_Count	0
21414	Hydrogen_Bond_Donor_Count	1
12364784	Undefined_Bond_Stereo_Count	0
7817	Tautomer_Count	6
129680036	Rotatable_Bond_Count	1
446201	Total_Formal_Charge	0
31368	Exact_Mass	67.042199164
13198341	Hydrogen_Bond_Acceptor_Count	3
73357703	XLogP3-AA	0.3
12184311	Isotope_Atom_Count	0
83639	Covalent_Unit_Count	1
24892843	Structure_Complexity	302
521874	Undefined_Bond_Stereo_Count	0
447362	Covalent_Unit_Count	1
71624469	Mono_Isotopic_Weight	336.15862589
35455	Undefined_Bond_Stereo_Count	0
13613	Exact_Mass	128.094963011
12295224	Mono_Isotopic_Weight	112.063662883
54033886	Isotope_Atom_Count	0
58618968	Undefined_Bond_Stereo_Count	1
640997	Exact_Mass	106.062994177
68711	Rotatable_Bond_Count	14
21221120	Covalent_Unit_Count	1
135437285	Isotope_Atom_Count	0
245729	Defined_Bond_Stereo_Count	0
491728	Molecular_Weight	475.4
117045887	Mono_Isotopic_Weight	95.073499291
6328534	Non-hydrogen_Atom_Count	60
607	Rotatable_Bond_Count	5
2971	Mono_Isotopic_Weight	322.21440943
139099	Defined_Atom_Stereo_Count	0
4980	Defined_Bond_Stereo_Count	0
10291131	Undefined_Atom_Stereo_Count	0
5359423	XLogP3	3.4
70333	Molecular_Weight	170.25
44338970	Mono_Isotopic_Weight	485.11128449
6848	Covalent_Unit_Count	1
173612	Rotatable_Bond_Count	5
119086019	Hydrogen_Bond_Acceptor_Count	4
54726514	Undefined_Atom_Stereo_Count	0
16183	Hydrogen_Bond_Donor_Count	1
11396	Non-hydrogen_Atom_Count	12
15681692	Hydrogen_Bond_Acceptor_Count	2
137530132	Structure_Complexity	879
122173791	Total_Formal_Charge	1
71389631	Exact_Mass	108.057514874
58801077	XLogP3-AA	0.5
158800	Covalent_Unit_Count	1
17187	Rotatable_Bond_Count	24
1426	Non-hydrogen_Atom_Count	22
5353439	Total_Formal_Charge	0
11470068	Defined_Bond_Stereo_Count	0
53786721	Rotatable_Bond_Count	0
530422	Covalent_Unit_Count	1
23993	Defined_Bond_Stereo_Count	0
28500	Defined_Atom_Stereo_Count	0
142859	Undefined_Atom_Stereo_Count	0
107275	Defined_Bond_Stereo_Count	0
138122	Rotatable_Bond_Count	0
13791578	Covalent_Unit_Count	1
24812721	Structure_Complexity	583
100915014	Isotope_Atom_Count	0
22398442	Structure_Complexity	161
992	Rotatable_Bond_Count	0
15817734	Defined_Bond_Stereo_Count	0
75657	Molecular_Weight	127.18
774599	XLogP3-AA	2.7
9043	TPSA	58.2
164550	Tautomer_Count	3
67591	TPSA	44.8
22049997	Defined_Atom_Stereo_Count	0
90485	Rotatable_Bond_Count	5
5407	Defined_Bond_Stereo_Count	0
52654	Mono_Isotopic_Weight	252.220163521
15561473	Non-hydrogen_Atom_Count	8
12874682	Hydrogen_Bond_Acceptor_Count	2
56340	XLogP3-AA	3.3
25318	Isotope_Atom_Count	0
10176672	Total_Formal_Charge	0
6539028	Hydrogen_Bond_Donor_Count	2
5289159	Hydrogen_Bond_Donor_Count	1
51397515	Structure_Complexity	1020
91017818	Structure_Complexity	75.6
489236	Total_Formal_Charge	0
97959	Non-hydrogen_Atom_Count	9
12252	Structure_Complexity	47.2
2752638	Hydrogen_Bond_Donor_Count	2
5074	Defined_Atom_Stereo_Count	0
23332	Structure_Complexity	604
6433417	XLogP3-AA	1
102447462	Hydrogen_Bond_Donor_Count	5
134436906	Defined_Bond_Stereo_Count	0
78358485	Rotatable_Bond_Count	5
75443	Rotatable_Bond_Count	2
634	Total_Formal_Charge	0
69763756	Covalent_Unit_Count	1
14319	XLogP3	1.9
499988	Hydrogen_Bond_Donor_Count	2
3847	Structure_Complexity	224
69161653	Mono_Isotopic_Weight	111.068413911
4996	Non-hydrogen_Atom_Count	19
12132	Hydrogen_Bond_Acceptor_Count	1
13792437	Undefined_Bond_Stereo_Count	0
234735	Structure_Complexity	94
67736	Mono_Isotopic_Weight	945.85178
18669439	Molecular_Weight	99.09
439846	Rotatable_Bond_Count	1
126514322	Non-hydrogen_Atom_Count	7
441414	Defined_Atom_Stereo_Count	4
1629	Defined_Bond_Stereo_Count	0
76451	Rotatable_Bond_Count	6
54880	XLogP3	5.6
89445694	Hydrogen_Bond_Donor_Count	0
34756	Rotatable_Bond_Count	7
45120378	Total_Formal_Charge	0
24206429	Tautomer_Count	1
162883450	Total_Formal_Charge	0
22768309	Structure_Complexity	78.5
81045	Rotatable_Bond_Count	13
545800	Undefined_Bond_Stereo_Count	0
441344	Undefined_Bond_Stereo_Count	0
248271	XLogP3-AA	6.9
5230877	Undefined_Bond_Stereo_Count	0
11329359	TPSA	112
153648135	Non-hydrogen_Atom_Count	7
6100711	Covalent_Unit_Count	2
23681217	Non-hydrogen_Atom_Count	14
85916	Undefined_Bond_Stereo_Count	1
25945	Isotope_Atom_Count	0
83645	Rotatable_Bond_Count	10
98771	TPSA	41.1
159283	Undefined_Atom_Stereo_Count	0
3047795	Total_Formal_Charge	0
964856	Defined_Bond_Stereo_Count	0
65854	Molecular_Weight	228.74
13003788	Total_Formal_Charge	0
16219856	TPSA	138
82851	Undefined_Bond_Stereo_Count	0
98172	Defined_Atom_Stereo_Count	0
87216	Hydrogen_Bond_Acceptor_Count	8
8271	Undefined_Bond_Stereo_Count	0
443158	Molecular_Weight	154.25
6643	Exact_Mass	164.120115130
10707	Total_Formal_Charge	0
8002	XLogP3	2.8
10391	Tautomer_Count	2
520217	Hydrogen_Bond_Acceptor_Count	5
57734486	Non-hydrogen_Atom_Count	24
24386	Defined_Atom_Stereo_Count	0
810	TPSA	389
53315139	Covalent_Unit_Count	1
290807	Defined_Bond_Stereo_Count	0
95169	Undefined_Atom_Stereo_Count	0
20759975	Non-hydrogen_Atom_Count	7
73461	TPSA	193
67686	Structure_Complexity	336
4373	Mono_Isotopic_Weight	502.2194272
119058013	Tautomer_Count	6
12025	Mono_Isotopic_Weight	85.052763847
56955180	Covalent_Unit_Count	1
10130220	Covalent_Unit_Count	1
123336	Covalent_Unit_Count	1
11527635	Covalent_Unit_Count	1
72200357	Undefined_Bond_Stereo_Count	0
16218641	Defined_Atom_Stereo_Count	0
26710	Structure_Complexity	54.3
6400441	Isotope_Atom_Count	0
3985879	Exact_Mass	99.104799419
9865554	Total_Formal_Charge	0
11040661	Hydrogen_Bond_Acceptor_Count	2
141276996	Total_Formal_Charge	0
6534	Undefined_Bond_Stereo_Count	0
70677962	TPSA	186
139145	Structure_Complexity	409
13068	XLogP3	5.1
16158473	Isotope_Atom_Count	0
68022407	Mono_Isotopic_Weight	112.063662883
4047	Rotatable_Bond_Count	5
10995	Non-hydrogen_Atom_Count	7
67242154	Structure_Complexity	113
5360232	Hydrogen_Bond_Donor_Count	1
84871	Exact_Mass	466.111476
5461056	Undefined_Atom_Stereo_Count	1
69861	Mono_Isotopic_Weight	149.120449483
521207	Structure_Complexity	323
37888405	Undefined_Bond_Stereo_Count	0
36054	Structure_Complexity	163
13408099	TPSA	52.3
172306	Rotatable_Bond_Count	7
57503849	Molecular_Weight	1261.4
585	XLogP3-AA	1.4
165542	Isotope_Atom_Count	0
143075695	Non-hydrogen_Atom_Count	7
10026007	Total_Formal_Charge	0
688	Isotope_Atom_Count	0
165971	Structure_Complexity	0
56834578	Hydrogen_Bond_Acceptor_Count	8
162681	Exact_Mass	248.11494430
13275542	Defined_Atom_Stereo_Count	0
15513	Rotatable_Bond_Count	3
72076	Isotope_Atom_Count	0
88937798	Undefined_Atom_Stereo_Count	0
5480431	Undefined_Bond_Stereo_Count	0
10462961	Mono_Isotopic_Weight	783.40948040
9867605	Rotatable_Bond_Count	4
11664966	Undefined_Bond_Stereo_Count	0
70399533	Total_Formal_Charge	0
70935	Structure_Complexity	128
48305	Non-hydrogen_Atom_Count	27
11745116	Non-hydrogen_Atom_Count	12
25058166	Hydrogen_Bond_Donor_Count	7
27430	Hydrogen_Bond_Donor_Count	0
78538	Defined_Atom_Stereo_Count	0
40772	Defined_Atom_Stereo_Count	0
11517146	Structure_Complexity	568
11349000	Molecular_Weight	362.4
54561872	Molecular_Weight	95.14
65726	Covalent_Unit_Count	1
11688573	Hydrogen_Bond_Acceptor_Count	4
53320169	Non-hydrogen_Atom_Count	31
67420901	Exact_Mass	110.048012819
5281708	Rotatable_Bond_Count	1
10986305	Mono_Isotopic_Weight	139.038176411
4692287	Isotope_Atom_Count	0
97456	XLogP3-AA	4.5
88261	Hydrogen_Bond_Donor_Count	2
135080	Mono_Isotopic_Weight	253.011769
164094748	Non-hydrogen_Atom_Count	8
453251	Structure_Complexity	346
9571109	Exact_Mass	395.068258
8549	Defined_Atom_Stereo_Count	3
47628	Isotope_Atom_Count	0
269842	Exact_Mass	281.11240398
6445008	Defined_Bond_Stereo_Count	1
415868	Undefined_Bond_Stereo_Count	0
637939	Undefined_Atom_Stereo_Count	0
44392103	Structure_Complexity	651
15054176	TPSA	58.7
76126	Isotope_Atom_Count	0
6444397	Total_Formal_Charge	0
5203	Hydrogen_Bond_Donor_Count	1
12314510	Non-hydrogen_Atom_Count	38
76258	Tautomer_Count	1
10949	Molecular_Weight	125.13
3403	Hydrogen_Bond_Donor_Count	3
70662473	Hydrogen_Bond_Donor_Count	1
9892539	Mono_Isotopic_Weight	509.1751200
90927	Defined_Atom_Stereo_Count	0
115817	Molecular_Weight	413.3
121304016	TPSA	204
54584753	Isotope_Atom_Count	0
12255457	Defined_Bond_Stereo_Count	0
69588	Defined_Atom_Stereo_Count	0
475319	Defined_Atom_Stereo_Count	2
259821	Undefined_Atom_Stereo_Count	0
126011	Non-hydrogen_Atom_Count	28
57856017	Exact_Mass	111.068413911
635911	Hydrogen_Bond_Acceptor_Count	6
31291	Defined_Atom_Stereo_Count	0
55290154	Total_Formal_Charge	0
6397996	Non-hydrogen_Atom_Count	2
21233	Hydrogen_Bond_Donor_Count	0
4141306	Structure_Complexity	381
20543	Rotatable_Bond_Count	10
68681268	Total_Formal_Charge	0
4048	Total_Formal_Charge	0
150067	Rotatable_Bond_Count	2
76736	TPSA	0
4171	Undefined_Bond_Stereo_Count	0
551185	Molecular_Weight	100.16
123732032	Isotope_Atom_Count	0
6954	Undefined_Atom_Stereo_Count	0
652876	Molecular_Weight	313.3
189594	Undefined_Bond_Stereo_Count	0
117807974	Defined_Bond_Stereo_Count	0
22356182	XLogP3-AA	0.5
84032542	Structure_Complexity	122
14084036	XLogP3	0.2
635186	Undefined_Bond_Stereo_Count	0
68057	Covalent_Unit_Count	1
44258	Non-hydrogen_Atom_Count	26
57392610	Undefined_Atom_Stereo_Count	0
13721252	Defined_Bond_Stereo_Count	0
6917719	Isotope_Atom_Count	0
142106	TPSA	37.3
12537312	Mono_Isotopic_Weight	110.073164938
125461706	Rotatable_Bond_Count	6
87595695	Molecular_Weight	100.16
23661981	Defined_Atom_Stereo_Count	0
17960143	Structure_Complexity	70
444455	Undefined_Atom_Stereo_Count	0
222528	Molecular_Weight	392.6
75690	Undefined_Atom_Stereo_Count	0
57442010	Hydrogen_Bond_Acceptor_Count	9
193450	Structure_Complexity	297
134687906	Non-hydrogen_Atom_Count	59
246724	Isotope_Atom_Count	0
59774	Defined_Atom_Stereo_Count	0
155903675	Total_Formal_Charge	0
563049	Hydrogen_Bond_Donor_Count	2
4921	Molecular_Weight	844.4
52987927	Defined_Bond_Stereo_Count	0
98017	TPSA	55.8
146558401	Rotatable_Bond_Count	2
12459575	Exact_Mass	116.083729621
119036	Exact_Mass	139.136099547
2817255	Structure_Complexity	458
131750204	Isotope_Atom_Count	0
6918191	Covalent_Unit_Count	1
10628031	Structure_Complexity	1300
233707	XLogP3-AA	0.8
443874	Defined_Bond_Stereo_Count	0
16224	Isotope_Atom_Count	0
9804302	Exact_Mass	460.13379358
5241	Non-hydrogen_Atom_Count	19
4248	Rotatable_Bond_Count	12
181977	Exact_Mass	164.01095860
154809859	Mono_Isotopic_Weight	665.30474055
234237	Isotope_Atom_Count	0
71183	Undefined_Bond_Stereo_Count	0
25142172	Hydrogen_Bond_Donor_Count	2
5257127	Defined_Bond_Stereo_Count	0
125353406	Covalent_Unit_Count	1
145742	Structure_Complexity	103
448051	Undefined_Bond_Stereo_Count	0
68149181	Hydrogen_Bond_Donor_Count	1
6437840	Tautomer_Count	2
44229138	TPSA	77.3
179512	Undefined_Bond_Stereo_Count	0
257630	Total_Formal_Charge	0
58890069	Undefined_Bond_Stereo_Count	0
439207	Defined_Atom_Stereo_Count	25
95659	Exact_Mass	198.104465066
529333	Defined_Atom_Stereo_Count	0
3940691	Exact_Mass	224.06847348
64423	Mono_Isotopic_Weight	320.1655411
82479	Defined_Bond_Stereo_Count	0
7566642	TPSA	1
516919	Undefined_Bond_Stereo_Count	0
117065485	Covalent_Unit_Count	1
4953	Isotope_Atom_Count	0
5376	XLogP3-AA	7.1
3865578	Structure_Complexity	178
527072	Structure_Complexity	282
132281459	Covalent_Unit_Count	2
447021	Defined_Atom_Stereo_Count	0
77332	Rotatable_Bond_Count	5
9576410	Undefined_Bond_Stereo_Count	0
84720	Molecular_Weight	266.5
47714	Hydrogen_Bond_Acceptor_Count	4
126968519	Undefined_Atom_Stereo_Count	1
1120	Covalent_Unit_Count	1
2341	Exact_Mass	239.167399674
40466988	Hydrogen_Bond_Acceptor_Count	7
54353965	Hydrogen_Bond_Donor_Count	0
61012	Defined_Bond_Stereo_Count	0
75197	Exact_Mass	256.08030146
12358970	XLogP3	2.4
3366	Total_Formal_Charge	0
3960	Covalent_Unit_Count	1
83823	Mono_Isotopic_Weight	461.20496695
9859093	Molecular_Weight	204.31
34553	Covalent_Unit_Count	1
314184	Molecular_Weight	101.10
38971	Hydrogen_Bond_Donor_Count	2
162343997	Defined_Atom_Stereo_Count	0
4011971	Isotope_Atom_Count	0
661093	Isotope_Atom_Count	0
3465817	Tautomer_Count	1
10664930	TPSA	70
506015	Molecular_Weight	375.4
124247	Defined_Bond_Stereo_Count	0
55291103	Hydrogen_Bond_Acceptor_Count	3
129629038	Undefined_Bond_Stereo_Count	0
22833389	Non-hydrogen_Atom_Count	30
123215474	Defined_Bond_Stereo_Count	0
39860873	Isotope_Atom_Count	0
14171936	Covalent_Unit_Count	1
17734	Covalent_Unit_Count	1
72131	Hydrogen_Bond_Acceptor_Count	4
3356829	Defined_Atom_Stereo_Count	0
68414798	Defined_Bond_Stereo_Count	0
92158	Tautomer_Count	2
301567	Covalent_Unit_Count	1
8159	Tautomer_Count	1
68652936	Hydrogen_Bond_Acceptor_Count	2
72054	Undefined_Bond_Stereo_Count	0
23279315	Exact_Mass	115.038176411
59259660	Rotatable_Bond_Count	3
67030919	Undefined_Bond_Stereo_Count	1
24808	Molecular_Weight	158.35
167	Structure_Complexity	259
8194	Covalent_Unit_Count	1
50923	Tautomer_Count	2
86384	Defined_Bond_Stereo_Count	0
62551	Defined_Atom_Stereo_Count	0
254656	Defined_Bond_Stereo_Count	0
90235	Exact_Mass	239.0461543
34213	Defined_Atom_Stereo_Count	0
520527	Total_Formal_Charge	0
87642220	Defined_Atom_Stereo_Count	10
12694	Mono_Isotopic_Weight	126.9591691
23278030	Hydrogen_Bond_Donor_Count	1
10920451	Total_Formal_Charge	0
6917733	Non-hydrogen_Atom_Count	31
708	TPSA	113
66184	Isotope_Atom_Count	0
91063960	Undefined_Atom_Stereo_Count	0
56640146	TPSA	113
2079	Non-hydrogen_Atom_Count	14
135771852	Defined_Atom_Stereo_Count	4
67513	Tautomer_Count	1
119093923	Defined_Bond_Stereo_Count	0
551174	Total_Formal_Charge	0
19754593	Defined_Bond_Stereo_Count	0
10181898	Covalent_Unit_Count	1
31679	Non-hydrogen_Atom_Count	30
3246323	Hydrogen_Bond_Acceptor_Count	7
15715874	TPSA	52
556836	Hydrogen_Bond_Acceptor_Count	1
37678	Total_Formal_Charge	0
5280490	Non-hydrogen_Atom_Count	21
86289069	Hydrogen_Bond_Donor_Count	13
48068	Covalent_Unit_Count	3
680036	Total_Formal_Charge	0
628281	Isotope_Atom_Count	0
54133029	Defined_Atom_Stereo_Count	0
12242810	Defined_Atom_Stereo_Count	3
5311096	Total_Formal_Charge	0
71225	Defined_Atom_Stereo_Count	0
78131	Rotatable_Bond_Count	2
8974	Defined_Bond_Stereo_Count	0
12328	Hydrogen_Bond_Donor_Count	1
14265921	Defined_Bond_Stereo_Count	0
9865528	Hydrogen_Bond_Acceptor_Count	6
12522360	XLogP3-AA	1.6
13945	Total_Formal_Charge	0
419293	Hydrogen_Bond_Acceptor_Count	2
58937356	Total_Formal_Charge	0
71729958	Undefined_Atom_Stereo_Count	0
79865794	Rotatable_Bond_Count	0
26289	Hydrogen_Bond_Donor_Count	0
124316	Undefined_Atom_Stereo_Count	0
123314224	Isotope_Atom_Count	0
3506	Defined_Atom_Stereo_Count	0
6997	Isotope_Atom_Count	0
135398619	Undefined_Atom_Stereo_Count	0
21684469	Isotope_Atom_Count	0
524647	Undefined_Atom_Stereo_Count	2
3045402	Structure_Complexity	303
44456	Structure_Complexity	305
18952630	Defined_Bond_Stereo_Count	0
10252	TPSA	66.4
64049	Undefined_Atom_Stereo_Count	0
8283	Mono_Isotopic_Weight	220.182715385
20521791	Structure_Complexity	159
869249	Rotatable_Bond_Count	1
46196517	XLogP3-AA	3.8
5795340	Mono_Isotopic_Weight	331.86837
20514191	Exact_Mass	99.104799419
3048	XLogP3-AA	3.7
75192	Molecular_Weight	212.25
20312802	Isotope_Atom_Count	0
8230	Total_Formal_Charge	0
24180717	TPSA	68.7
75087	Exact_Mass	328.15534438
11586735	Undefined_Bond_Stereo_Count	0
130121992	Hydrogen_Bond_Acceptor_Count	3
10176113	Defined_Bond_Stereo_Count	0
9971980	Covalent_Unit_Count	2
139087298	Exact_Mass	255.10414797
76415	Mono_Isotopic_Weight	308.083729621
442632	Undefined_Atom_Stereo_Count	0
11063855	XLogP3	4.1
144292366	Hydrogen_Bond_Acceptor_Count	1
5206	Undefined_Atom_Stereo_Count	0
5282489	Structure_Complexity	244
45120331	Molecular_Weight	112.17
136515	Defined_Bond_Stereo_Count	0
31298	Exact_Mass	190.0161736
133562676	Undefined_Bond_Stereo_Count	0
5279171	Structure_Complexity	634
47151	Molecular_Weight	204.5
963264	Total_Formal_Charge	0
71463826	TPSA	60.7
23284	Total_Formal_Charge	0
71448984	Structure_Complexity	61.1
67807	Undefined_Atom_Stereo_Count	0
8048	Hydrogen_Bond_Donor_Count	0
156617908	Non-hydrogen_Atom_Count	23
91986	Mono_Isotopic_Weight	187.9795702
28660	Rotatable_Bond_Count	1
21498	Undefined_Atom_Stereo_Count	0
53316417	Hydrogen_Bond_Acceptor_Count	11
15548	Molecular_Weight	357.4
16138787	Mono_Isotopic_Weight	1131.32532709
132274070	XLogP3-AA	5.6
164164517	Isotope_Atom_Count	0
499953	Structure_Complexity	857
135926580	TPSA	309
53470	Mono_Isotopic_Weight	245.08520679
45484184	Defined_Atom_Stereo_Count	0
11560610	Non-hydrogen_Atom_Count	31
3392711	Undefined_Atom_Stereo_Count	0
447342	Molecular_Weight	499.6
101049151	Undefined_Bond_Stereo_Count	0
84647649	Non-hydrogen_Atom_Count	8
9548714	Mono_Isotopic_Weight	414.422551722
10848	Defined_Bond_Stereo_Count	0
3002	Mono_Isotopic_Weight	735.14313908
156614059	Covalent_Unit_Count	2
101254308	Molecular_Weight	182.15
25201976	Non-hydrogen_Atom_Count	13
44311686	Exact_Mass	349.0829337
46884664	Defined_Bond_Stereo_Count	0
2724588	Hydrogen_Bond_Acceptor_Count	9
25202509	Non-hydrogen_Atom_Count	31
62705689	XLogP3-AA	2.7
44475367	Undefined_Bond_Stereo_Count	0
460516	Mono_Isotopic_Weight	244.08076950
10678204	Undefined_Atom_Stereo_Count	1
130124330	Isotope_Atom_Count	0
54224045	Undefined_Bond_Stereo_Count	0
124005380	Defined_Bond_Stereo_Count	0
9894291	Isotope_Atom_Count	0
7056	Undefined_Atom_Stereo_Count	0
46942	Non-hydrogen_Atom_Count	14
3710788	Undefined_Atom_Stereo_Count	0
81421	Defined_Bond_Stereo_Count	0
26440	Molecular_Weight	194.27
79117667	Structure_Complexity	135
2734040	Non-hydrogen_Atom_Count	15
5280440	Defined_Bond_Stereo_Count	2
225710	Undefined_Atom_Stereo_Count	1
26644345	Covalent_Unit_Count	1
95848	Undefined_Bond_Stereo_Count	0
55993	Total_Formal_Charge	0
689385	Exact_Mass	322.05000196
16667743	Structure_Complexity	484
15301081	Undefined_Bond_Stereo_Count	0
6441264	Molecular_Weight	1076.4
5284592	XLogP3-AA	6.4
726370	Defined_Atom_Stereo_Count	0
11126249	XLogP3-AA	2.3
71242808	TPSA	52.6
85786508	TPSA	20.2
4993182	Covalent_Unit_Count	1
101544	Exact_Mass	323.05185141
71526	Tautomer_Count	1
12468309	XLogP3-AA	0.8
12869982	Hydrogen_Bond_Acceptor_Count	1
5909	Rotatable_Bond_Count	3
7647	Non-hydrogen_Atom_Count	14
5237030	Defined_Atom_Stereo_Count	0
135436520	Defined_Atom_Stereo_Count	0
54541930	Undefined_Bond_Stereo_Count	0
12933282	Total_Formal_Charge	0
10610	Exact_Mass	358.13511374
10979337	Structure_Complexity	345
10395173	Undefined_Atom_Stereo_Count	0
5401	XLogP3	1.4
17754089	Structure_Complexity	148
24892867	TPSA	43.1
3035905	Defined_Bond_Stereo_Count	0
45277565	TPSA	192
11982778	Exact_Mass	1348.58318267
9348	Structure_Complexity	246
2775941	Undefined_Bond_Stereo_Count	0
21545139	Molecular_Weight	97.12
45282362	Covalent_Unit_Count	1
9855476	Total_Formal_Charge	0
962	Structure_Complexity	0
83971	Hydrogen_Bond_Donor_Count	6
5128450	Defined_Atom_Stereo_Count	0
165708195	Rotatable_Bond_Count	3
76224067	Total_Formal_Charge	0
123959	Isotope_Atom_Count	0
227927	Undefined_Bond_Stereo_Count	0
9839657	Undefined_Bond_Stereo_Count	0
16248	Defined_Atom_Stereo_Count	0
135458645	Hydrogen_Bond_Donor_Count	5
2061	Tautomer_Count	16
446753	Rotatable_Bond_Count	4
163201191	Total_Formal_Charge	0
454647	Defined_Bond_Stereo_Count	0
52361	Hydrogen_Bond_Acceptor_Count	3
72200631	Mono_Isotopic_Weight	579.26411653
95391	Molecular_Weight	140.18
44310303	Covalent_Unit_Count	1
44134844	Hydrogen_Bond_Acceptor_Count	31
706	Hydrogen_Bond_Donor_Count	3
5313988	Exact_Mass	522.35596503
6993809	Undefined_Atom_Stereo_Count	0
163468867	Mono_Isotopic_Weight	114.068079557
542317	Rotatable_Bond_Count	5
54054	Molecular_Weight	399.5
36235	TPSA	178
2863	Undefined_Bond_Stereo_Count	0
81255	Structure_Complexity	229
12745213	Defined_Bond_Stereo_Count	0
9297	Total_Formal_Charge	0
57913	Non-hydrogen_Atom_Count	8
4130	Undefined_Atom_Stereo_Count	0
14265	XLogP3-AA	1
23496	Hydrogen_Bond_Donor_Count	0
135578046	Total_Formal_Charge	0
36978	Isotope_Atom_Count	0
85945952	Defined_Bond_Stereo_Count	0
57864687	Total_Formal_Charge	0
4542	Defined_Bond_Stereo_Count	0
54111851	Total_Formal_Charge	0
71311337	Tautomer_Count	1
81045	Undefined_Bond_Stereo_Count	0
3086686	TPSA	77.2
79314	TPSA	60.2
2331	Defined_Bond_Stereo_Count	0
8393	Tautomer_Count	1
54706667	Hydrogen_Bond_Acceptor_Count	4
123400934	Defined_Bond_Stereo_Count	0
124328800	Undefined_Atom_Stereo_Count	0
123839315	XLogP3-AA	1.3
17779323	Hydrogen_Bond_Acceptor_Count	1
5280490	XLogP3	6.2
519543	Hydrogen_Bond_Donor_Count	0
103032	Defined_Bond_Stereo_Count	0
69370	Hydrogen_Bond_Donor_Count	2
17111	TPSA	29.5
54519	Non-hydrogen_Atom_Count	23
71629	Defined_Atom_Stereo_Count	0
534767	Rotatable_Bond_Count	2
20006	Covalent_Unit_Count	1
946918	Molecular_Weight	301.30
21100	Rotatable_Bond_Count	4
6420378	Covalent_Unit_Count	1
10125048	Mono_Isotopic_Weight	86.048012819
448051	Molecular_Weight	290.21
31233	Covalent_Unit_Count	1
13378967	Total_Formal_Charge	0
16760	Mono_Isotopic_Weight	254.0126017
96129	Undefined_Atom_Stereo_Count	0
14238	Defined_Bond_Stereo_Count	0
4235600	TPSA	52
3811882	XLogP3-AA	0.9
11857377	Molecular_Weight	244.25
22983309	Molecular_Weight	110.20
7090	Hydrogen_Bond_Acceptor_Count	2
231040	Defined_Atom_Stereo_Count	0
136183446	TPSA	149
53319739	Covalent_Unit_Count	1
1308	Undefined_Bond_Stereo_Count	0
44319	Mono_Isotopic_Weight	257.120449483
17179	Hydrogen_Bond_Acceptor_Count	3
10197646	Defined_Bond_Stereo_Count	0
137185902	Defined_Bond_Stereo_Count	7
5831	Rotatable_Bond_Count	4
102233552	Total_Formal_Charge	0
54685734	Rotatable_Bond_Count	2
6160	Mono_Isotopic_Weight	289.18419255
7252	Covalent_Unit_Count	1
961	Isotope_Atom_Count	0
22160	Rotatable_Bond_Count	6
23676704	Isotope_Atom_Count	0
18343488	Hydrogen_Bond_Donor_Count	2
7244	Tautomer_Count	3
79472	Molecular_Weight	445.3
8580	Total_Formal_Charge	0
4659	Covalent_Unit_Count	5
9985199	XLogP3-AA	4.1
19779961	Undefined_Bond_Stereo_Count	0
104755	Undefined_Bond_Stereo_Count	0
72038	Molecular_Weight	295.4
44183569	Undefined_Atom_Stereo_Count	0
13756235	Exact_Mass	83.073499291
6451149	Rotatable_Bond_Count	5
44190553	Rotatable_Bond_Count	2
21989159	Undefined_Atom_Stereo_Count	5
2590	Undefined_Atom_Stereo_Count	8
2219	Undefined_Atom_Stereo_Count	3
768	Exact_Mass	27.010899036
10133975	XLogP3-AA	3.5
75220691	Rotatable_Bond_Count	9
734373	TPSA	96.2
28896	Defined_Atom_Stereo_Count	0
998021	Hydrogen_Bond_Acceptor_Count	6
143339316	Mono_Isotopic_Weight	108.093900383
1382043	Isotope_Atom_Count	0
107349	XLogP3-AA	2.8
292659	Undefined_Atom_Stereo_Count	0
10200813	Mono_Isotopic_Weight	397.14378429
6505	Defined_Bond_Stereo_Count	0
72926	Structure_Complexity	215
61081	Isotope_Atom_Count	0
4369524	Mono_Isotopic_Weight	297.09358328
11224	Undefined_Atom_Stereo_Count	1
443239	Covalent_Unit_Count	1
16719	Undefined_Bond_Stereo_Count	0
10813969	Defined_Bond_Stereo_Count	0
92660	Non-hydrogen_Atom_Count	15
1893	Tautomer_Count	2
2763134	Structure_Complexity	90.5
11043	Molecular_Weight	351.12
138621	Defined_Atom_Stereo_Count	0
5367650	Total_Formal_Charge	0
22385738	XLogP3-AA	0.2
11088	Isotope_Atom_Count	0
11700696	Molecular_Weight	851.4
16412	TPSA	28.3
5354284	Undefined_Bond_Stereo_Count	0
738658	Non-hydrogen_Atom_Count	17
119590	Undefined_Atom_Stereo_Count	0
90360523	Undefined_Bond_Stereo_Count	0
123516214	Covalent_Unit_Count	1
23519825	Mono_Isotopic_Weight	381.0484802
25067547	Tautomer_Count	16
9050	Defined_Atom_Stereo_Count	1
706285	TPSA	49.3
2762816	Defined_Atom_Stereo_Count	0
13783517	Total_Formal_Charge	0
11507	Isotope_Atom_Count	0
11254352	TPSA	138
8315	Hydrogen_Bond_Acceptor_Count	2
156618033	Undefined_Atom_Stereo_Count	0
846	Total_Formal_Charge	0
12686	Undefined_Bond_Stereo_Count	0
53511	Hydrogen_Bond_Acceptor_Count	2
1492348	TPSA	98.3
11161534	Hydrogen_Bond_Acceptor_Count	3
1676	Tautomer_Count	11
230373	Isotope_Atom_Count	0
14309	Exact_Mass	341.010163
564664	Molecular_Weight	108.18
159747	Non-hydrogen_Atom_Count	11
43966	Rotatable_Bond_Count	4
197839	Defined_Bond_Stereo_Count	0
59295925	Undefined_Bond_Stereo_Count	0
9885626	Covalent_Unit_Count	1
5993	Molecular_Weight	409.8
12362	Defined_Bond_Stereo_Count	0
61674	Defined_Bond_Stereo_Count	0
117072551	Structure_Complexity	854
69610	Covalent_Unit_Count	1
19819	Defined_Atom_Stereo_Count	0
21584147	Covalent_Unit_Count	1
4382	Non-hydrogen_Atom_Count	12
90192	Rotatable_Bond_Count	11
60825	Molecular_Weight	229.26
57514051	Mono_Isotopic_Weight	1024.3123164
409347	Structure_Complexity	363
13707	Undefined_Bond_Stereo_Count	1
455579	Molecular_Weight	367.5
9865421	Total_Formal_Charge	0
58902739	Defined_Bond_Stereo_Count	0
5109	Rotatable_Bond_Count	5
99858	Hydrogen_Bond_Donor_Count	1
9570071	Hydrogen_Bond_Donor_Count	1
13908	Exact_Mass	216.02450067
58513815	Defined_Atom_Stereo_Count	0
91763	Mono_Isotopic_Weight	434.0411457
36781	Non-hydrogen_Atom_Count	14
54758599	Hydrogen_Bond_Acceptor_Count	30
6918585	Covalent_Unit_Count	1
6294	Undefined_Bond_Stereo_Count	0
118285	Defined_Atom_Stereo_Count	0
673681	Tautomer_Count	5
131801164	Molecular_Weight	453.6
6481	Defined_Atom_Stereo_Count	0
55804	Structure_Complexity	150
38207	XLogP3-AA	3.6
83517	Tautomer_Count	1
46470	Exact_Mass	325.1808568
91528	Undefined_Atom_Stereo_Count	1
4816	Defined_Bond_Stereo_Count	0
57399796	Covalent_Unit_Count	1
46930998	Isotope_Atom_Count	0
123619430	Total_Formal_Charge	0
91820610	Hydrogen_Bond_Acceptor_Count	3
23378923	Undefined_Bond_Stereo_Count	0
8390	Hydrogen_Bond_Donor_Count	1
16212959	Hydrogen_Bond_Acceptor_Count	6
132305	Exact_Mass	375.16818752
101771	Hydrogen_Bond_Donor_Count	2
85776583	Mono_Isotopic_Weight	116.047344113
74561	TPSA	54.7
82593532	Rotatable_Bond_Count	1
117715670	Molecular_Weight	382.9
47884	Rotatable_Bond_Count	7
24530	Isotope_Atom_Count	0
163883593	TPSA	67.8
13184286	Defined_Bond_Stereo_Count	0
9469	Isotope_Atom_Count	0
35343	Non-hydrogen_Atom_Count	10
9447938	Undefined_Bond_Stereo_Count	0
25144319	Hydrogen_Bond_Acceptor_Count	10
5311211	Hydrogen_Bond_Acceptor_Count	3
89578867	Exact_Mass	310.204513457
135722088	TPSA	44.7
1024	Tautomer_Count	9
135981362	XLogP3	0.4
216325	Hydrogen_Bond_Donor_Count	2
140071	Total_Formal_Charge	0
2563	Total_Formal_Charge	0
6365	Mono_Isotopic_Weight	97.9690055
20055414	Defined_Atom_Stereo_Count	2
264852	Rotatable_Bond_Count	2
13452201	Non-hydrogen_Atom_Count	7
4521392	Hydrogen_Bond_Acceptor_Count	5
77554	Molecular_Weight	435.6
18622364	Hydrogen_Bond_Acceptor_Count	3
57511216	Undefined_Atom_Stereo_Count	0
542420	Isotope_Atom_Count	0
21864560	Defined_Bond_Stereo_Count	0
118360420	Undefined_Atom_Stereo_Count	6
13224	Total_Formal_Charge	0
2736145	Undefined_Bond_Stereo_Count	0
6857536	Undefined_Atom_Stereo_Count	1
44596198	Hydrogen_Bond_Acceptor_Count	9
6562	Undefined_Bond_Stereo_Count	0
16051942	Hydrogen_Bond_Donor_Count	1
5324166	Rotatable_Bond_Count	2
68026923	Structure_Complexity	130
3082127	Mono_Isotopic_Weight	225.95807833
18406174	Undefined_Atom_Stereo_Count	2
91408078	Mono_Isotopic_Weight	116.047344113
22172	Non-hydrogen_Atom_Count	6
67656913	TPSA	20.2
49849523	Isotope_Atom_Count	3
5460161	Molecular_Weight	89.07
6994776	Defined_Atom_Stereo_Count	0
647893	Structure_Complexity	541
1548953	Total_Formal_Charge	0
409642	Structure_Complexity	349
446987	Defined_Bond_Stereo_Count	0
142883	Tautomer_Count	1
68226	Exact_Mass	335.89723
6419807	Isotope_Atom_Count	0
87446	Tautomer_Count	14
77288	Hydrogen_Bond_Acceptor_Count	1
5462309	Defined_Atom_Stereo_Count	0
49867926	Undefined_Atom_Stereo_Count	0
62412	Isotope_Atom_Count	0
68600	XLogP3-AA	3.7
86295	Hydrogen_Bond_Acceptor_Count	11
5491295	Undefined_Bond_Stereo_Count	0
21787	Defined_Atom_Stereo_Count	0
3906961	Isotope_Atom_Count	0
30692	Exact_Mass	237.96931172
43601	Mono_Isotopic_Weight	97.052763847
13771069	Defined_Atom_Stereo_Count	0
13193732	Molecular_Weight	111.14
23675081	Tautomer_Count	11
77749	Mono_Isotopic_Weight	113.047678466
5458497	Undefined_Bond_Stereo_Count	0
117721	Hydrogen_Bond_Donor_Count	0
107502	Undefined_Bond_Stereo_Count	0
78837	XLogP3-AA	2.2
101905	Undefined_Bond_Stereo_Count	0
98488	Undefined_Bond_Stereo_Count	0
3354	Hydrogen_Bond_Acceptor_Count	5
63198	Isotope_Atom_Count	0
151205	Total_Formal_Charge	0
23682789	Defined_Atom_Stereo_Count	0
5384411	Isotope_Atom_Count	0
54580767	Defined_Bond_Stereo_Count	0
66414	Hydrogen_Bond_Donor_Count	2
11381	Hydrogen_Bond_Acceptor_Count	1
19836588	TPSA	9.2
91497205	Hydrogen_Bond_Donor_Count	1
8084	Defined_Bond_Stereo_Count	0
644213	Mono_Isotopic_Weight	276.0301698
1550888	Structure_Complexity	331
132779642	Molecular_Weight	457.4
3083540	Hydrogen_Bond_Acceptor_Count	3
91439614	Rotatable_Bond_Count	2
11040651	Mono_Isotopic_Weight	110.073164938
98210	Total_Formal_Charge	0
395450	Mono_Isotopic_Weight	397.14492710
146159143	Covalent_Unit_Count	1
20015	XLogP3-AA	4.6
23160059	Structure_Complexity	327
346695	Molecular_Weight	261.70
21679645	Defined_Bond_Stereo_Count	0
20350152	Isotope_Atom_Count	0
11708045	Molecular_Weight	73.05
21932619	Undefined_Atom_Stereo_Count	4
49342	XLogP3-AA	1.2
7767	Total_Formal_Charge	0
16719897	Undefined_Atom_Stereo_Count	0
5724	Covalent_Unit_Count	1
40467849	Defined_Bond_Stereo_Count	0
15053	Isotope_Atom_Count	0
54574891	Undefined_Bond_Stereo_Count	1
119119	Molecular_Weight	451.16
10964423	Undefined_Atom_Stereo_Count	1
44392244	Undefined_Bond_Stereo_Count	0
375912	Hydrogen_Bond_Acceptor_Count	1
12028	Defined_Atom_Stereo_Count	0
173685	Total_Formal_Charge	0
18936580	Undefined_Atom_Stereo_Count	0
701741	XLogP3-AA	1.8
96327588	Defined_Atom_Stereo_Count	16
9920369	Isotope_Atom_Count	0
13220194	Non-hydrogen_Atom_Count	15
12200971	Non-hydrogen_Atom_Count	8
642197	Molecular_Weight	124.99
6983	Hydrogen_Bond_Donor_Count	0
7824	Covalent_Unit_Count	1
3814068	XLogP3-AA	2.4
57547	TPSA	18.1
639288	Structure_Complexity	528
47675	Non-hydrogen_Atom_Count	16
11708	XLogP3-AA	1.9
291446	Isotope_Atom_Count	0
4477	Undefined_Atom_Stereo_Count	0
2042	Defined_Bond_Stereo_Count	0
12719155	Undefined_Bond_Stereo_Count	0
627923	Molecular_Weight	307.35
135446965	Defined_Bond_Stereo_Count	0
81223	Tautomer_Count	2
86761	Covalent_Unit_Count	1
90478690	Isotope_Atom_Count	0
134688930	Rotatable_Bond_Count	1
20470206	Mono_Isotopic_Weight	108.093900383
44242939	Isotope_Atom_Count	0
31353	Defined_Atom_Stereo_Count	0
72200110	Hydrogen_Bond_Acceptor_Count	3
10379	Mono_Isotopic_Weight	199.063328530
14066	Non-hydrogen_Atom_Count	7
71681473	Isotope_Atom_Count	0
12671783	XLogP3-AA	0.9
10021362	Defined_Atom_Stereo_Count	2
138677	Hydrogen_Bond_Donor_Count	1
6437071	Total_Formal_Charge	0
16722832	XLogP3-AA	4.2
139211202	Mono_Isotopic_Weight	679.44075943
72153	XLogP3-AA	1.4
69591	Hydrogen_Bond_Donor_Count	1
24977371	Rotatable_Bond_Count	2
116706	Hydrogen_Bond_Acceptor_Count	4
13021	Hydrogen_Bond_Donor_Count	1
7532	Covalent_Unit_Count	1
9920377	Covalent_Unit_Count	1
3169	Hydrogen_Bond_Acceptor_Count	4
127030	Covalent_Unit_Count	1
20388	Mono_Isotopic_Weight	531.85339
49865859	Rotatable_Bond_Count	5
4633	Hydrogen_Bond_Acceptor_Count	5
214321	Non-hydrogen_Atom_Count	14
6924	Structure_Complexity	217
4713	Rotatable_Bond_Count	2
136237946	Isotope_Atom_Count	0
145458257	Isotope_Atom_Count	0
90451	Tautomer_Count	1
13574950	Defined_Atom_Stereo_Count	0
73802	Hydrogen_Bond_Acceptor_Count	7
4011	XLogP3-AA	4.6
44560574	Hydrogen_Bond_Acceptor_Count	6
63979	Undefined_Bond_Stereo_Count	0
588	Structure_Complexity	151
201382	Undefined_Bond_Stereo_Count	0
86656004	Hydrogen_Bond_Acceptor_Count	3
62329	XLogP3-AA	3.8
24883467	Tautomer_Count	1
86017	Hydrogen_Bond_Acceptor_Count	4
349711	Undefined_Atom_Stereo_Count	0
9549904	Hydrogen_Bond_Donor_Count	7
23647685	Defined_Bond_Stereo_Count	0
18852	Hydrogen_Bond_Donor_Count	0
8670	Molecular_Weight	221.12
3332	Undefined_Atom_Stereo_Count	0
61347	Mono_Isotopic_Weight	124.100048391
6437371	Hydrogen_Bond_Donor_Count	0
159594	Non-hydrogen_Atom_Count	37
9076	Undefined_Bond_Stereo_Count	0
89843393	Isotope_Atom_Count	0
118585331	Defined_Bond_Stereo_Count	0
31917	Defined_Atom_Stereo_Count	0
2005	TPSA	66.4
66558601	Covalent_Unit_Count	1
11768518	Defined_Bond_Stereo_Count	0
45266598	Exact_Mass	833.12577494
7579	Molecular_Weight	200.24
6438895	Hydrogen_Bond_Donor_Count	3
11725	Hydrogen_Bond_Donor_Count	0
60196384	Isotope_Atom_Count	0
71719561	Undefined_Atom_Stereo_Count	0
20095	Rotatable_Bond_Count	2
72429	Defined_Atom_Stereo_Count	3
5839	Undefined_Bond_Stereo_Count	0
25144319	Defined_Atom_Stereo_Count	0
36383	Defined_Bond_Stereo_Count	0
638097	Covalent_Unit_Count	1
117781134	Defined_Bond_Stereo_Count	0
7848	Hydrogen_Bond_Acceptor_Count	1
11235728	Molecular_Weight	429.4
52442	Exact_Mass	323.212338489
319771	TPSA	41.1
107196	Structure_Complexity	52.5
5360696	Defined_Atom_Stereo_Count	3
15376	Covalent_Unit_Count	1
2109	Tautomer_Count	1
2105	Exact_Mass	189.07495584
60956	XLogP3-AA	0.3
6424	Hydrogen_Bond_Acceptor_Count	1
44134719	Hydrogen_Bond_Donor_Count	5
65866	Defined_Atom_Stereo_Count	0
57750343	Isotope_Atom_Count	0
54693768	Undefined_Atom_Stereo_Count	2
49243	Structure_Complexity	338
19428934	Undefined_Bond_Stereo_Count	0
12673086	Non-hydrogen_Atom_Count	14
5034	Non-hydrogen_Atom_Count	21
39800	Rotatable_Bond_Count	0
66708587	Hydrogen_Bond_Acceptor_Count	3
146682056	Undefined_Bond_Stereo_Count	0
131954443	Total_Formal_Charge	0
69026	Exact_Mass	218.83535
8987	Isotope_Atom_Count	0
129826699	Defined_Bond_Stereo_Count	0
565391	Undefined_Bond_Stereo_Count	0
131801303	Exact_Mass	1220.61898316
754780	TPSA	68.5
23434975	Non-hydrogen_Atom_Count	7
19935912	Structure_Complexity	209
10214	Hydrogen_Bond_Acceptor_Count	17
57483528	Defined_Bond_Stereo_Count	0
14140995	Rotatable_Bond_Count	0
25056	Structure_Complexity	235
481	Covalent_Unit_Count	1
25116	Molecular_Weight	212.67
44462786	Undefined_Atom_Stereo_Count	0
2521	Non-hydrogen_Atom_Count	45
10219373	Isotope_Atom_Count	0
36688153	Isotope_Atom_Count	0
1211	Undefined_Atom_Stereo_Count	2
10780	Structure_Complexity	211
539036	Defined_Bond_Stereo_Count	0
137673	Hydrogen_Bond_Donor_Count	0
1354	Structure_Complexity	246
57286318	Hydrogen_Bond_Donor_Count	0
3866	Defined_Bond_Stereo_Count	0
26398	Total_Formal_Charge	0
54567	Exact_Mass	305.189197746
6762	Hydrogen_Bond_Donor_Count	0
9470	Hydrogen_Bond_Donor_Count	2
6914657	Hydrogen_Bond_Acceptor_Count	3
20253286	Structure_Complexity	65.5
6433556	Rotatable_Bond_Count	17
7426	Rotatable_Bond_Count	0
401171	Non-hydrogen_Atom_Count	17
123223	Exact_Mass	104.083729621
168256	Non-hydrogen_Atom_Count	31
338733	Hydrogen_Bond_Donor_Count	1
175915	Exact_Mass	250.07537038
995634	Hydrogen_Bond_Donor_Count	1
71583051	Non-hydrogen_Atom_Count	31
11476467	TPSA	122
23729769	Structure_Complexity	613
121861	Total_Formal_Charge	0
44429	Hydrogen_Bond_Acceptor_Count	2
10096344	Defined_Bond_Stereo_Count	0
600	Molecular_Weight	258.12
45358084	Undefined_Atom_Stereo_Count	0
181976	Isotope_Atom_Count	0
33463	Structure_Complexity	761
1277665	Molecular_Weight	99.13
12661295	Isotope_Atom_Count	0
15209694	Covalent_Unit_Count	1
16773	Molecular_Weight	377.3
21545139	Defined_Atom_Stereo_Count	0
139086956	Hydrogen_Bond_Acceptor_Count	6
6918405	Structure_Complexity	517
6620134	Covalent_Unit_Count	1
69892	XLogP3-AA	2.2
12842600	Defined_Atom_Stereo_Count	0
6918013	Non-hydrogen_Atom_Count	52
4544	Isotope_Atom_Count	0
54413601	Undefined_Bond_Stereo_Count	0
6397	TPSA	0
21466942	Hydrogen_Bond_Donor_Count	3
25171662	Undefined_Atom_Stereo_Count	0
49857672	Undefined_Bond_Stereo_Count	0
6604893	Defined_Bond_Stereo_Count	2
129859783	Covalent_Unit_Count	1
169536	Non-hydrogen_Atom_Count	18
90877284	XLogP3-AA	2.8
17748	Total_Formal_Charge	0
22860	Tautomer_Count	1
129860157	Undefined_Bond_Stereo_Count	0
12899069	Total_Formal_Charge	0
6852128	Undefined_Atom_Stereo_Count	0
71839	XLogP3-AA	0.5
85608271	Hydrogen_Bond_Acceptor_Count	2
58247682	Defined_Atom_Stereo_Count	0
8183	Undefined_Bond_Stereo_Count	0
147201521	TPSA	3
135435111	Isotope_Atom_Count	0
85653	Defined_Atom_Stereo_Count	0
16756754	Mono_Isotopic_Weight	478.24318459
16854	Structure_Complexity	177
4744464	Isotope_Atom_Count	0
657255	Undefined_Bond_Stereo_Count	0
11510567	Structure_Complexity	701
81263	Mono_Isotopic_Weight	156.151415257
3494	Hydrogen_Bond_Donor_Count	1
139078692	Defined_Atom_Stereo_Count	0
124247	Exact_Mass	209.10519334
85922476	Molecular_Weight	110.15
11088	Exact_Mass	549.98658
23087	Exact_Mass	153.078978594
13072114	Undefined_Atom_Stereo_Count	1
27491	Total_Formal_Charge	0
549482	Undefined_Atom_Stereo_Count	1
71165	Mono_Isotopic_Weight	288.14739250
57404185	Total_Formal_Charge	0
40473166	Total_Formal_Charge	0
197083	Structure_Complexity	481
2811264	Exact_Mass	337.15904043
219077	TPSA	43.9
7196	Tautomer_Count	1
39546	Structure_Complexity	464
54041	Undefined_Atom_Stereo_Count	0
3001055	Structure_Complexity	347
2758875	XLogP3-AA	0.2
42599603	Non-hydrogen_Atom_Count	29
21879940	Molecular_Weight	214.35
9878679	Mono_Isotopic_Weight	275.07284784
454844	Isotope_Atom_Count	0
2736	Molecular_Weight	412.6
6992284	Undefined_Atom_Stereo_Count	0
15617	Undefined_Bond_Stereo_Count	0
25072741	Covalent_Unit_Count	1
94020	Rotatable_Bond_Count	2
46783403	TPSA	198
41744	TPSA	215
16048642	Isotope_Atom_Count	0
18241	Undefined_Bond_Stereo_Count	0
119098022	Covalent_Unit_Count	1
96029	Hydrogen_Bond_Donor_Count	0
3468	XLogP3-AA	4.9
6435920	Mono_Isotopic_Weight	224.177630004
10534631	Non-hydrogen_Atom_Count	8
5282947	Molecular_Weight	296.4
84420187	Rotatable_Bond_Count	1
12747	Undefined_Bond_Stereo_Count	0
6398969	Isotope_Atom_Count	0
92237	Non-hydrogen_Atom_Count	20
51402807	Total_Formal_Charge	0
12486	Non-hydrogen_Atom_Count	10
673	Mono_Isotopic_Weight	103.063328530
162918373	Isotope_Atom_Count	0
123867503	Defined_Bond_Stereo_Count	0
51380895	Hydrogen_Bond_Donor_Count	1
88534608	Non-hydrogen_Atom_Count	8
59398673	Structure_Complexity	147
14831302	Defined_Bond_Stereo_Count	0
625	Defined_Bond_Stereo_Count	0
13620760	Structure_Complexity	108
20016	Covalent_Unit_Count	1
31247	TPSA	26.3
6993205	Non-hydrogen_Atom_Count	20
92094	Defined_Bond_Stereo_Count	0
101203296	Structure_Complexity	252
45791267	Exact_Mass	134.059246208
28858	Defined_Atom_Stereo_Count	0
1616961	Non-hydrogen_Atom_Count	20
20912	Defined_Bond_Stereo_Count	0
6917787	Rotatable_Bond_Count	4
54675854	Defined_Atom_Stereo_Count	0
12494777	Undefined_Bond_Stereo_Count	0
587	Structure_Complexity	271
61126	Covalent_Unit_Count	1
224753	Defined_Atom_Stereo_Count	0
78249	Structure_Complexity	186
134825353	Structure_Complexity	795
87868	Exact_Mass	242.15180918
59145	Defined_Atom_Stereo_Count	0
60857	Defined_Atom_Stereo_Count	1
5311505	Undefined_Atom_Stereo_Count	0
11607904	XLogP3-AA	0
3437714	XLogP3-AA	2.3
833854	Structure_Complexity	338
3681305	TPSA	83.4
124635203	Hydrogen_Bond_Donor_Count	8
52893	Undefined_Bond_Stereo_Count	0
20691	Hydrogen_Bond_Donor_Count	0
7503	Undefined_Bond_Stereo_Count	0
3034390	XLogP3-AA	5.6
122188	Hydrogen_Bond_Donor_Count	3
166718	TPSA	27.3
53787407	Total_Formal_Charge	0
443183	Covalent_Unit_Count	1
11667893	Undefined_Atom_Stereo_Count	0
18369938	Rotatable_Bond_Count	1
44629522	Exact_Mass	582.31433815
135659024	Total_Formal_Charge	0
638019	Mono_Isotopic_Weight	386.354866087
2724372	Molecular_Weight	294.4
14241402	Undefined_Bond_Stereo_Count	0
6096206	Molecular_Weight	830.7
6440900	Exact_Mass	156.04225873
9886249	Undefined_Bond_Stereo_Count	0
57484	Undefined_Atom_Stereo_Count	0
34364440	Covalent_Unit_Count	1
20894	Mono_Isotopic_Weight	157.13274550
20347	Rotatable_Bond_Count	3
71987	Defined_Bond_Stereo_Count	0
58902739	Isotope_Atom_Count	0
8559	XLogP3	4
53631439	Molecular_Weight	113.11
62475	Defined_Bond_Stereo_Count	0
68780878	Non-hydrogen_Atom_Count	30
4552	Exact_Mass	362.04899647
25381	Total_Formal_Charge	0
154809629	Total_Formal_Charge	0
53822679	Structure_Complexity	76.1
167085	Undefined_Atom_Stereo_Count	0
5240	Structure_Complexity	42.9
92536013	Molecular_Weight	370.5
21962760	Total_Formal_Charge	0
12456033	Hydrogen_Bond_Donor_Count	0
9950244	Rotatable_Bond_Count	4
9852519	Defined_Atom_Stereo_Count	0
15652148	Defined_Atom_Stereo_Count	0
3086686	Mono_Isotopic_Weight	398.21180428
5282192	Total_Formal_Charge	0
25008940	Total_Formal_Charge	0
8992	Defined_Atom_Stereo_Count	0
81110	Structure_Complexity	171
12218432	Hydrogen_Bond_Donor_Count	1
14601092	Defined_Bond_Stereo_Count	0
446873	Rotatable_Bond_Count	3
66537	Molecular_Weight	212.29
2761815	XLogP3	0.1
28540	Hydrogen_Bond_Acceptor_Count	2
53741494	Covalent_Unit_Count	1
60156	Hydrogen_Bond_Acceptor_Count	4
6971	Hydrogen_Bond_Donor_Count	2
5462653	Total_Formal_Charge	0
2230	Rotatable_Bond_Count	2
103079114	Molecular_Weight	113.12
11389423	Mono_Isotopic_Weight	138.140850574
129320459	Covalent_Unit_Count	1
25106	Defined_Atom_Stereo_Count	0
527072	Undefined_Bond_Stereo_Count	0
129735833	Defined_Atom_Stereo_Count	0
56841934	Total_Formal_Charge	0
1385	Structure_Complexity	495
10658	XLogP3	2
13932	Total_Formal_Charge	0
12695798	Covalent_Unit_Count	1
65420	Isotope_Atom_Count	0
28594	Isotope_Atom_Count	0
19540	Mono_Isotopic_Weight	140.156500638
10005402	Exact_Mass	480.1034322
5814	Rotatable_Bond_Count	2
11589318	Defined_Atom_Stereo_Count	0
12687479	Undefined_Bond_Stereo_Count	0
9889366	Exact_Mass	438.16469979
5625	Covalent_Unit_Count	1
5353646	TPSA	76.8
1897	TPSA	77.8
88283211	Rotatable_Bond_Count	3
112030	Undefined_Atom_Stereo_Count	1
11543095	Hydrogen_Bond_Donor_Count	0
69262871	Undefined_Atom_Stereo_Count	0
445936	Undefined_Bond_Stereo_Count	0
3081304	Structure_Complexity	558
129821598	Molecular_Weight	167.25
2447	Isotope_Atom_Count	0
1112	Exact_Mass	102.031694049
17778639	Non-hydrogen_Atom_Count	6
578771	Total_Formal_Charge	0
125027416	Undefined_Atom_Stereo_Count	0
74695	Isotope_Atom_Count	0
136505	Mono_Isotopic_Weight	102.068079557
12933763	Hydrogen_Bond_Donor_Count	1
91865076	Undefined_Bond_Stereo_Count	0
411832	Covalent_Unit_Count	1
7673	Mono_Isotopic_Weight	135.01427034
2804680	Rotatable_Bond_Count	2
35703	Molecular_Weight	190.19
86278438	XLogP3-AA	3.1
127548	Molecular_Weight	217.22
8773	Hydrogen_Bond_Acceptor_Count	9
2456	Isotope_Atom_Count	0
9820008	Defined_Atom_Stereo_Count	0
65914	Total_Formal_Charge	0
1810216	XLogP3-AA	0
9798496	Defined_Bond_Stereo_Count	1
1605	Isotope_Atom_Count	0
94543	Mono_Isotopic_Weight	250.193280068
1176	Tautomer_Count	2
1923	Rotatable_Bond_Count	0
135445749	Exact_Mass	503.15052004
445	Defined_Atom_Stereo_Count	0
32872	Hydrogen_Bond_Acceptor_Count	6
97669	Defined_Atom_Stereo_Count	0
20735704	Isotope_Atom_Count	0
11593706	Mono_Isotopic_Weight	211.0611356
121231162	Defined_Atom_Stereo_Count	3
60196413	Defined_Atom_Stereo_Count	0
115237	Isotope_Atom_Count	0
90488850	Undefined_Bond_Stereo_Count	1
2574	TPSA	83.8
521863	Rotatable_Bond_Count	2
72076	Defined_Atom_Stereo_Count	0
15853020	Hydrogen_Bond_Acceptor_Count	2
95592	Mono_Isotopic_Weight	174.104465066
398604	Molecular_Weight	400.4
18805	Isotope_Atom_Count	0
67683363	Undefined_Atom_Stereo_Count	0
196445	Tautomer_Count	4
11908488	Defined_Atom_Stereo_Count	10
165675	Undefined_Atom_Stereo_Count	0
668508	Covalent_Unit_Count	1
62525	Isotope_Atom_Count	0
146558401	Total_Formal_Charge	0
20827794	Covalent_Unit_Count	1
8053	Undefined_Bond_Stereo_Count	0
87457638	TPSA	86
267493	Molecular_Weight	259.22
11254	Hydrogen_Bond_Donor_Count	0
156156900	Defined_Bond_Stereo_Count	0
22035328	Total_Formal_Charge	0
123237074	TPSA	20.2
131664136	Structure_Complexity	2660
38883	Covalent_Unit_Count	1
16219042	Hydrogen_Bond_Acceptor_Count	2
54422686	Molecular_Weight	103.12
160944	Defined_Bond_Stereo_Count	0
50023	TPSA	62.8
1639804	Isotope_Atom_Count	0
86830	Molecular_Weight	523.5
13032471	Defined_Bond_Stereo_Count	0
77918	Rotatable_Bond_Count	2
71485	Defined_Atom_Stereo_Count	9
11285	Isotope_Atom_Count	0
118216	Defined_Bond_Stereo_Count	0
2040	Undefined_Atom_Stereo_Count	0
44571147	Hydrogen_Bond_Acceptor_Count	8
3295461	Covalent_Unit_Count	1
71115	Hydrogen_Bond_Acceptor_Count	2
16114404	Undefined_Atom_Stereo_Count	0
59514	Isotope_Atom_Count	0
5944	TPSA	52.6
71584162	Total_Formal_Charge	0
639643	Total_Formal_Charge	0
13400858	Structure_Complexity	77.4
643976	Rotatable_Bond_Count	7
147630	TPSA	24.1
161154	Hydrogen_Bond_Acceptor_Count	3
10079	Molecular_Weight	467.0
123097	Exact_Mass	79.0532269373
12681	Undefined_Atom_Stereo_Count	0
279305	Defined_Atom_Stereo_Count	0
11542782	Isotope_Atom_Count	0
4323	Non-hydrogen_Atom_Count	27
104774	Rotatable_Bond_Count	10
9942132	Rotatable_Bond_Count	0
93250	Structure_Complexity	539
10197612	Covalent_Unit_Count	1
400010	Defined_Bond_Stereo_Count	0
20250	Structure_Complexity	172
23713799	Tautomer_Count	1
6235	Undefined_Bond_Stereo_Count	0
67259543	XLogP3-AA	1.2
10017965	Defined_Bond_Stereo_Count	0
57371080	Undefined_Bond_Stereo_Count	0
13576	Undefined_Atom_Stereo_Count	0
3548422	Tautomer_Count	1
77781	Covalent_Unit_Count	1
31186	Undefined_Atom_Stereo_Count	0
97702	Isotope_Atom_Count	0
54755438	XLogP3-AA	3
70696694	Mono_Isotopic_Weight	380.13069707
9828911	Isotope_Atom_Count	0
143888994	Non-hydrogen_Atom_Count	8
9926621	Non-hydrogen_Atom_Count	23
210332	Mono_Isotopic_Weight	393.22770851
3445	Hydrogen_Bond_Acceptor_Count	3
21325329	Exact_Mass	115.099714038
439278	Covalent_Unit_Count	1
21325329	Covalent_Unit_Count	1
54086435	Hydrogen_Bond_Donor_Count	4
5283078	Exact_Mass	354.24062418
44588964	Undefined_Bond_Stereo_Count	0
90714454	Exact_Mass	116.083729621
8713	Mono_Isotopic_Weight	125.02992040
17754066	Isotope_Atom_Count	0
7523	Hydrogen_Bond_Donor_Count	0
138397	Mono_Isotopic_Weight	98.048012819
3571	Hydrogen_Bond_Donor_Count	3
294764	Structure_Complexity	262
25716	Molecular_Weight	460.7
20289356	Hydrogen_Bond_Acceptor_Count	3
65552	Molecular_Weight	747.83
154214	Defined_Bond_Stereo_Count	0
12973	Covalent_Unit_Count	1
13861740	Mono_Isotopic_Weight	128.00851382
7549	Isotope_Atom_Count	0
18730046	Defined_Bond_Stereo_Count	0
45120480	Molecular_Weight	110.15
20429	Molecular_Weight	86.09
14511497	Molecular_Weight	117.15
25201976	Structure_Complexity	217
3598879	Hydrogen_Bond_Donor_Count	1
46830487	Isotope_Atom_Count	0
10964421	Undefined_Atom_Stereo_Count	0
162918	Rotatable_Bond_Count	2
123917	Tautomer_Count	343
81818	Tautomer_Count	1
20689	Exact_Mass	190.12656044
134497	Structure_Complexity	179
11254899	Defined_Atom_Stereo_Count	0
12622583	Molecular_Weight	110.20
7891	Undefined_Atom_Stereo_Count	0
5281168	Defined_Atom_Stereo_Count	0
91285707	Defined_Atom_Stereo_Count	0
439950	Defined_Atom_Stereo_Count	0
3083655	Tautomer_Count	2
17356	Defined_Bond_Stereo_Count	0
11597936	Covalent_Unit_Count	1
66124	Rotatable_Bond_Count	3
47517	Exact_Mass	267.1026065
52947103	Rotatable_Bond_Count	7
149755	TPSA	163
8063	XLogP3-AA	1.1
10200589	Non-hydrogen_Atom_Count	29
65662	Exact_Mass	267.125928785
13590	Covalent_Unit_Count	1
12242822	Mono_Isotopic_Weight	155.142041939
9576912	Isotope_Atom_Count	0
27982	Hydrogen_Bond_Acceptor_Count	3
24752	Exact_Mass	190.15689456
67076419	Covalent_Unit_Count	2
48207	Total_Formal_Charge	0
43331	TPSA	50.8
22280308	Mono_Isotopic_Weight	96.043596145
27278	TPSA	24.4
11777	Molecular_Weight	353.1
57469742	Exact_Mass	114.031694049
73707513	Mono_Isotopic_Weight	768.48932838
23668194	Non-hydrogen_Atom_Count	30
3440	Total_Formal_Charge	0
3054	Non-hydrogen_Atom_Count	20
54149606	TPSA	41.1
16065257	Mono_Isotopic_Weight	428.15584919
39066	Covalent_Unit_Count	1
10975412	Undefined_Atom_Stereo_Count	1
67108443	Molecular_Weight	341.9
7710	Defined_Atom_Stereo_Count	0
54586720	Defined_Bond_Stereo_Count	0
535722	Undefined_Bond_Stereo_Count	0
6440792	Defined_Atom_Stereo_Count	1
20784557	Undefined_Atom_Stereo_Count	0
447715	Tautomer_Count	1
68009306	Defined_Bond_Stereo_Count	0
385	Isotope_Atom_Count	0
73761	XLogP3-AA	0.7
67630	XLogP3-AA	0.8
20841747	Defined_Atom_Stereo_Count	0
2762921	Hydrogen_Bond_Acceptor_Count	2
6113	Hydrogen_Bond_Donor_Count	0
131238	Total_Formal_Charge	0
16654980	Molecular_Weight	410.4
15528723	Total_Formal_Charge	0
5282242	Molecular_Weight	410.4
102249560	Rotatable_Bond_Count	2
688938	Structure_Complexity	394
8177	Total_Formal_Charge	0
396765	Total_Formal_Charge	0
54964	Structure_Complexity	408
130471	Non-hydrogen_Atom_Count	26
152257	Exact_Mass	201.151749610
11013485	Hydrogen_Bond_Donor_Count	1
71452498	Total_Formal_Charge	0
99894	Defined_Bond_Stereo_Count	0
62725	Undefined_Atom_Stereo_Count	0
2736567	Hydrogen_Bond_Donor_Count	1
12057264	Hydrogen_Bond_Acceptor_Count	1
20387237	Hydrogen_Bond_Acceptor_Count	1
135431094	Defined_Bond_Stereo_Count	3
129073603	Undefined_Bond_Stereo_Count	0
69089	XLogP3-AA	1.9
1438038	Undefined_Bond_Stereo_Count	0
9568637	Rotatable_Bond_Count	6
76704897	Undefined_Bond_Stereo_Count	0
9064	XLogP3	0.4
3641725	Undefined_Bond_Stereo_Count	0
66016	XLogP3-AA	1.3
53346491	Rotatable_Bond_Count	5
596336	Isotope_Atom_Count	0
18171	Isotope_Atom_Count	0
5284584	Isotope_Atom_Count	0
130545	Tautomer_Count	1
134973	Undefined_Atom_Stereo_Count	2
10953450	TPSA	30.2
8557	Covalent_Unit_Count	1
23664644	Mono_Isotopic_Weight	194.99660851
3034479	Molecular_Weight	300.37
54682651	Hydrogen_Bond_Donor_Count	1
853	Covalent_Unit_Count	1
11372	Rotatable_Bond_Count	0
83826166	Defined_Atom_Stereo_Count	0
44280082	Mono_Isotopic_Weight	257.05104977
5462501	Hydrogen_Bond_Acceptor_Count	6
58883	Hydrogen_Bond_Acceptor_Count	4
54144657	Defined_Bond_Stereo_Count	0
55285315	Defined_Bond_Stereo_Count	0
80715	Covalent_Unit_Count	1
8906	Non-hydrogen_Atom_Count	18
44151464	Non-hydrogen_Atom_Count	16
13842461	Hydrogen_Bond_Donor_Count	3
27932	Defined_Atom_Stereo_Count	0
92210	Structure_Complexity	72.9
9815559	Covalent_Unit_Count	1
2557	Defined_Atom_Stereo_Count	0
139341721	Total_Formal_Charge	0
5288845	Undefined_Bond_Stereo_Count	0
12162479	Non-hydrogen_Atom_Count	11
84197	Isotope_Atom_Count	0
11236560	Structure_Complexity	675
21131011	Structure_Complexity	98.6
19809513	Covalent_Unit_Count	1
222572	Mono_Isotopic_Weight	364.157563266
37270	Mono_Isotopic_Weight	421.779623
14869	XLogP3	3.9
67678	Defined_Bond_Stereo_Count	0
53317992	Structure_Complexity	174
866430	Undefined_Atom_Stereo_Count	0
413520	Defined_Atom_Stereo_Count	0
9154	Hydrogen_Bond_Acceptor_Count	0
243556	Hydrogen_Bond_Acceptor_Count	1
13032	Non-hydrogen_Atom_Count	10
104805	Hydrogen_Bond_Acceptor_Count	6
61539	Covalent_Unit_Count	1
5336	Defined_Bond_Stereo_Count	0
736172	Rotatable_Bond_Count	3
18954381	Covalent_Unit_Count	1
3084014	Hydrogen_Bond_Donor_Count	4
129893562	Mono_Isotopic_Weight	1347.582715
57097	Exact_Mass	940.42049858
5072	Total_Formal_Charge	0
79876409	TPSA	26
520546	XLogP3-AA	0.7
72149	Hydrogen_Bond_Acceptor_Count	5
10610	XLogP3-AA	3.3
521759	Non-hydrogen_Atom_Count	7
111804	Undefined_Atom_Stereo_Count	0
22414183	Total_Formal_Charge	0
114853	Covalent_Unit_Count	1
44629654	Mono_Isotopic_Weight	220.170139325
12285890	Undefined_Atom_Stereo_Count	1
123754760	Defined_Atom_Stereo_Count	0
164513759	Defined_Atom_Stereo_Count	0
53947578	Defined_Bond_Stereo_Count	0
157684	Tautomer_Count	1
7204	Undefined_Atom_Stereo_Count	0
2729	Isotope_Atom_Count	0
71761627	Defined_Atom_Stereo_Count	0
19782023	Molecular_Weight	86.14
54391876	Hydrogen_Bond_Donor_Count	1
12467556	Hydrogen_Bond_Acceptor_Count	3
70403801	Mono_Isotopic_Weight	228.05686342
44404640	Covalent_Unit_Count	1
40234	Hydrogen_Bond_Donor_Count	0
141225356	Defined_Bond_Stereo_Count	1
70695634	TPSA	96.2
16836	Hydrogen_Bond_Acceptor_Count	5
5311424	Hydrogen_Bond_Donor_Count	2
73707356	Defined_Atom_Stereo_Count	0
23681559	Undefined_Atom_Stereo_Count	0
47912	Defined_Bond_Stereo_Count	0
135926580	Covalent_Unit_Count	1
79790	XLogP3-AA	3.5
47866	Mono_Isotopic_Weight	166.09669434
63089348	Total_Formal_Charge	0
11954389	Molecular_Weight	470.9
114681	Defined_Atom_Stereo_Count	0
7371	Defined_Bond_Stereo_Count	0
36933	Isotope_Atom_Count	0
6603806	Defined_Atom_Stereo_Count	1
8417	Defined_Atom_Stereo_Count	0
1353	Hydrogen_Bond_Acceptor_Count	3
73665	TPSA	47.4
20226563	Total_Formal_Charge	0
10414810	Mono_Isotopic_Weight	536.13412551
11680542	Covalent_Unit_Count	2
66879	Rotatable_Bond_Count	3
14202705	Non-hydrogen_Atom_Count	8
5618	Exact_Mass	350.24570956
22314	Covalent_Unit_Count	1
135391135	Isotope_Atom_Count	0
14798	Undefined_Bond_Stereo_Count	0
163091	Non-hydrogen_Atom_Count	20
57286108	Undefined_Atom_Stereo_Count	0
12713	Isotope_Atom_Count	0
18383	Undefined_Bond_Stereo_Count	0
156391	Mono_Isotopic_Weight	230.094294304
11655119	Rotatable_Bond_Count	6
2734246	Defined_Atom_Stereo_Count	0
11377	Defined_Bond_Stereo_Count	0
16274	Defined_Atom_Stereo_Count	0
41287	Undefined_Atom_Stereo_Count	0
10987215	Molecular_Weight	198.05
6433415	Rotatable_Bond_Count	2
18353888	Total_Formal_Charge	0
20426485	Exact_Mass	100.088815002
12921732	Hydrogen_Bond_Donor_Count	0
46783224	Hydrogen_Bond_Donor_Count	3
6421834	Isotope_Atom_Count	0
5282350	Rotatable_Bond_Count	9
147614	XLogP3-AA	1.9
11215	Total_Formal_Charge	0
181511	Undefined_Bond_Stereo_Count	0
6420020	Structure_Complexity	494
71459165	Rotatable_Bond_Count	3
50	Exact_Mass	194.04265265
111332	Defined_Bond_Stereo_Count	0
762788	Undefined_Atom_Stereo_Count	0
135779804	Rotatable_Bond_Count	4
5057599	TPSA	230
18004024	Covalent_Unit_Count	2
12654270	Defined_Bond_Stereo_Count	0
11466	TPSA	45.8
156963699	Exact_Mass	442.19915329
43057	Total_Formal_Charge	0
13445117	Hydrogen_Bond_Acceptor_Count	2
522621	Structure_Complexity	143
134613	TPSA	92.4
44226825	Rotatable_Bond_Count	5
227112	Defined_Atom_Stereo_Count	0
9327	Exact_Mass	614.36207672
21945	Molecular_Weight	319.36
18727537	Exact_Mass	98.084398327
447545	Mono_Isotopic_Weight	659.20027549
130027214	Molecular_Weight	109.13
4260354	Isotope_Atom_Count	0
60196320	Exact_Mass	259.1339066
5603	Molecular_Weight	115.22
435	Hydrogen_Bond_Donor_Count	1
54311720	Undefined_Bond_Stereo_Count	0
76223467	XLogP3-AA	0.2
74245	Covalent_Unit_Count	1
91528	Tautomer_Count	10
57406911	Structure_Complexity	847
164705775	Molecular_Weight	342.30
4026	Defined_Atom_Stereo_Count	0
5353584	Defined_Atom_Stereo_Count	0
51039030	Tautomer_Count	6
143007	Hydrogen_Bond_Acceptor_Count	1
439456	Hydrogen_Bond_Donor_Count	9
8430	XLogP3-AA	3.5
67454	TPSA	0
59630744	TPSA	0
10096344	Isotope_Atom_Count	0
56841862	Exact_Mass	375.1612642
105130	Tautomer_Count	1
12760727	Isotope_Atom_Count	0
155387567	Structure_Complexity	107
317883	Undefined_Bond_Stereo_Count	0
79834	Hydrogen_Bond_Donor_Count	1
159738	Rotatable_Bond_Count	2
10887853	Defined_Bond_Stereo_Count	0
91661	Total_Formal_Charge	0
72187525	Undefined_Bond_Stereo_Count	0
49862517	TPSA	70.7
92850	Exact_Mass	404.3209791
10870	Tautomer_Count	1
21895916	Defined_Atom_Stereo_Count	0
6454737	Tautomer_Count	3
11249342	Molecular_Weight	337.4
56835784	Molecular_Weight	492.33
12842107	Defined_Atom_Stereo_Count	0
21894384	Total_Formal_Charge	0
17805735	Structure_Complexity	54
72258	Rotatable_Bond_Count	1
71306834	Mono_Isotopic_Weight	744.79416
139058077	Covalent_Unit_Count	4
16212088	Non-hydrogen_Atom_Count	12
30868	Total_Formal_Charge	2
189	Hydrogen_Bond_Acceptor_Count	5
31297	Undefined_Bond_Stereo_Count	0
4871	Exact_Mass	420.15728848
6321	TPSA	64.8
91742	Rotatable_Bond_Count	7
9897412	Molecular_Weight	843.1
9841259	Molecular_Weight	348.5
10435916	Non-hydrogen_Atom_Count	35
151726	Non-hydrogen_Atom_Count	9
3083542	XLogP3-AA	7
413544	Non-hydrogen_Atom_Count	21
131634907	Non-hydrogen_Atom_Count	131
54686187	Hydrogen_Bond_Donor_Count	9
118984450	Exact_Mass	5805.6443599
248271	Total_Formal_Charge	0
83803459	Non-hydrogen_Atom_Count	8
135392883	Covalent_Unit_Count	1
91996283	Hydrogen_Bond_Acceptor_Count	4
11095	Covalent_Unit_Count	1
3356829	Hydrogen_Bond_Donor_Count	0
557134	Mono_Isotopic_Weight	112.052429494
59481545	Undefined_Atom_Stereo_Count	0
22447183	XLogP3-AA	3.2
12753	Undefined_Atom_Stereo_Count	0
79474	Rotatable_Bond_Count	1
54024247	Hydrogen_Bond_Acceptor_Count	2
91395	Structure_Complexity	1170
403805	Undefined_Bond_Stereo_Count	0
61027	Defined_Bond_Stereo_Count	0
10288369	Defined_Bond_Stereo_Count	0
56846240	Undefined_Bond_Stereo_Count	0
12701395	Undefined_Bond_Stereo_Count	0
22220875	Non-hydrogen_Atom_Count	8
447405	Defined_Bond_Stereo_Count	0
97226	Molecular_Weight	364.4
22676885	Total_Formal_Charge	0
9848786	Total_Formal_Charge	0
53669425	Molecular_Weight	259.20
35459	Hydrogen_Bond_Acceptor_Count	2
67503	Isotope_Atom_Count	0
30529	Undefined_Atom_Stereo_Count	0
716995	Molecular_Weight	270.33
4695	TPSA	132
2480	Molecular_Weight	306.4
533840	Structure_Complexity	39.2
53242178	Undefined_Atom_Stereo_Count	0
13306871	Tautomer_Count	1
88793951	Isotope_Atom_Count	0
18218196	Defined_Bond_Stereo_Count	0
10330781	Tautomer_Count	4
44629593	Hydrogen_Bond_Donor_Count	5
143337	Molecular_Weight	284.48
21916	Hydrogen_Bond_Acceptor_Count	2
3058	Mono_Isotopic_Weight	478.25308057
18998026	TPSA	66.2
12773795	Hydrogen_Bond_Donor_Count	0
3011527	Undefined_Atom_Stereo_Count	5
158726884	Rotatable_Bond_Count	0
15293	Exact_Mass	158.130679813
13396	Defined_Bond_Stereo_Count	0
940892	Molecular_Weight	272.26
54700	Tautomer_Count	1
20680	Tautomer_Count	1
156369283	Rotatable_Bond_Count	2
14281426	Mono_Isotopic_Weight	118.062994177
57499	Isotope_Atom_Count	0
6867	Mono_Isotopic_Weight	203.094628657
9823887	Molecular_Weight	428.4
63974	Total_Formal_Charge	0
21715587	Defined_Atom_Stereo_Count	0
12385939	Mono_Isotopic_Weight	117.053826475
79474	Undefined_Bond_Stereo_Count	0
94746	Non-hydrogen_Atom_Count	8
48640	Defined_Bond_Stereo_Count	0
115205	Hydrogen_Bond_Donor_Count	6
14976739	Mono_Isotopic_Weight	208.0767261
12245594	XLogP3-AA	1.7
57396593	Structure_Complexity	625
13443454	TPSA	20.2
207292	Hydrogen_Bond_Acceptor_Count	1
447378	Rotatable_Bond_Count	6
53627567	Defined_Atom_Stereo_Count	0
16219784	Mono_Isotopic_Weight	530.28796829
119391	Total_Formal_Charge	0
10897645	Defined_Bond_Stereo_Count	0
130659	Exact_Mass	502.97075483
448653	Tautomer_Count	1
10979	Covalent_Unit_Count	1
60196435	Isotope_Atom_Count	0
57401194	Undefined_Bond_Stereo_Count	0
73415798	Hydrogen_Bond_Acceptor_Count	20
19422150	Rotatable_Bond_Count	1
6991966	Undefined_Bond_Stereo_Count	0
24833843	Rotatable_Bond_Count	15
27423	Hydrogen_Bond_Donor_Count	0
46937142	Tautomer_Count	1
96261	Covalent_Unit_Count	1
84308	Non-hydrogen_Atom_Count	6
5283345	Hydrogen_Bond_Acceptor_Count	1
5362894	Hydrogen_Bond_Donor_Count	0
11749756	Defined_Bond_Stereo_Count	0
155774	Tautomer_Count	10
7019277	TPSA	46.5
69963	Isotope_Atom_Count	0
4469	Covalent_Unit_Count	9
162291	Defined_Atom_Stereo_Count	0
110964	Defined_Bond_Stereo_Count	0
122612	Structure_Complexity	418
11668187	Exact_Mass	387.16952493
11568	Structure_Complexity	74.9
11137890	Isotope_Atom_Count	0
40987	Hydrogen_Bond_Donor_Count	3
52732	Rotatable_Bond_Count	11
133687818	TPSA	245
92222	Non-hydrogen_Atom_Count	14
9862	Exact_Mass	126.104465066
21027022	Defined_Bond_Stereo_Count	0
10044792	Hydrogen_Bond_Acceptor_Count	6
656673	Covalent_Unit_Count	1
42040	Hydrogen_Bond_Donor_Count	0
86063	Hydrogen_Bond_Acceptor_Count	4
1894	Defined_Atom_Stereo_Count	0
32777	Non-hydrogen_Atom_Count	7
15596187	Hydrogen_Bond_Acceptor_Count	7
57392505	Undefined_Atom_Stereo_Count	1
91895876	Hydrogen_Bond_Donor_Count	1
80472094	Structure_Complexity	110
135423095	Non-hydrogen_Atom_Count	28
16399850	Hydrogen_Bond_Donor_Count	1
72207351	Non-hydrogen_Atom_Count	7
78165	Defined_Atom_Stereo_Count	0
7835	Molecular_Weight	92.52
2215480	TPSA	41.5
160230029	XLogP3-AA	0.8
200103	Exact_Mass	498.992710
23519852	Undefined_Bond_Stereo_Count	0
91121093	Undefined_Atom_Stereo_Count	0
535022	Defined_Atom_Stereo_Count	0
208947	Mono_Isotopic_Weight	293.152812238
8193	Hydrogen_Bond_Acceptor_Count	1
10345214	Defined_Bond_Stereo_Count	0
6420	Undefined_Atom_Stereo_Count	0
169536	Undefined_Bond_Stereo_Count	0
632835	Structure_Complexity	630
15383909	Hydrogen_Bond_Acceptor_Count	25
16639	Non-hydrogen_Atom_Count	17
23087	XLogP3	2.4
1175	Rotatable_Bond_Count	0
55300789	Defined_Atom_Stereo_Count	0
15289	Undefined_Atom_Stereo_Count	1
2734250	Structure_Complexity	259
11228026	Isotope_Atom_Count	0
15206928	Hydrogen_Bond_Acceptor_Count	2
3718	Hydrogen_Bond_Donor_Count	1
14759390	Mono_Isotopic_Weight	116.047344113
108835	Defined_Atom_Stereo_Count	0
66602654	Defined_Atom_Stereo_Count	0
87774825	Hydrogen_Bond_Donor_Count	5
4242975	Molecular_Weight	257.33
117979204	Undefined_Atom_Stereo_Count	2
22182162	Undefined_Atom_Stereo_Count	0
970648	Total_Formal_Charge	0
61718	Mono_Isotopic_Weight	256.16745924
5324108	Undefined_Atom_Stereo_Count	0
20644245	Structure_Complexity	77.4
22083393	Molecular_Weight	100.08
21093905	Exact_Mass	378.1458683
15493441	Hydrogen_Bond_Donor_Count	0
17892	XLogP3-AA	4.6
11395145	Tautomer_Count	1
14301363	XLogP3-AA	4.2
657250	Mono_Isotopic_Weight	665.30474055
148837046	Non-hydrogen_Atom_Count	8
12774540	Molecular_Weight	98.14
4613278	Undefined_Atom_Stereo_Count	0
50587	Total_Formal_Charge	0
135418174	XLogP3-AA	1.4
52950901	Isotope_Atom_Count	1
156024996	Defined_Bond_Stereo_Count	0
89534431	XLogP3-AA	0.6
91599597	Exact_Mass	110.109550447
10329273	Defined_Bond_Stereo_Count	0
72444506	Undefined_Bond_Stereo_Count	0
31227	Covalent_Unit_Count	1
11614934	Undefined_Bond_Stereo_Count	0
26631	Covalent_Unit_Count	1
155290	Hydrogen_Bond_Acceptor_Count	2
6927356	Undefined_Atom_Stereo_Count	0
13067931	Mono_Isotopic_Weight	106.053098200
23567810	Non-hydrogen_Atom_Count	8
137572	Covalent_Unit_Count	1
23804	Total_Formal_Charge	0
54601151	Total_Formal_Charge	0
24672	Undefined_Atom_Stereo_Count	0
47795	Mono_Isotopic_Weight	229.08268182
10194504	Defined_Bond_Stereo_Count	0
44443933	Exact_Mass	486.20492463
405908	Hydrogen_Bond_Donor_Count	2
21873275	Defined_Bond_Stereo_Count	0
2763750	Undefined_Atom_Stereo_Count	0
213043	Structure_Complexity	515
21720742	XLogP3-AA	0.7
123892691	Covalent_Unit_Count	1
22015566	Mono_Isotopic_Weight	303.100776666
14195	Hydrogen_Bond_Acceptor_Count	2
6346	TPSA	0
4327536	Total_Formal_Charge	0
22833454	Covalent_Unit_Count	1
21242473	Non-hydrogen_Atom_Count	7
17880	Isotope_Atom_Count	0
230351	Mono_Isotopic_Weight	132.078644241
15741634	Exact_Mass	101.120449483
62999	Tautomer_Count	1
3401849	Isotope_Atom_Count	0
76968505	Non-hydrogen_Atom_Count	23
7452	XLogP3	1.5
56673551	Exact_Mass	454.20049070
53477580	Defined_Bond_Stereo_Count	1
75322	Undefined_Atom_Stereo_Count	0
366731	Total_Formal_Charge	0
9474	Mono_Isotopic_Weight	150.00926271
123934238	Molecular_Weight	114.14
13772685	Exact_Mass	259.96981
247839	Tautomer_Count	15
598427	TPSA	12
23897	Hydrogen_Bond_Acceptor_Count	3
24883429	Isotope_Atom_Count	0
85500	Rotatable_Bond_Count	6
21407	Structure_Complexity	61.1
53249784	Hydrogen_Bond_Donor_Count	1
2077	Structure_Complexity	591
70978	Exact_Mass	180.03106078
135697	Mono_Isotopic_Weight	112.016043985
4814	Undefined_Bond_Stereo_Count	0
132647840	Covalent_Unit_Count	2
441333	Defined_Atom_Stereo_Count	0
723	Covalent_Unit_Count	1
59446219	Isotope_Atom_Count	0
53373584	Undefined_Atom_Stereo_Count	0
115266	TPSA	37.3
18639728	Molecular_Weight	154.25
82718360	Undefined_Bond_Stereo_Count	0
53032	Defined_Atom_Stereo_Count	3
25954	Hydrogen_Bond_Donor_Count	0
11525	Isotope_Atom_Count	0
9927988	Exact_Mass	342.11621151
60196269	TPSA	182
12682631	Exact_Mass	113.058911855
5311036	Undefined_Bond_Stereo_Count	0
21122483	TPSA	0
10967532	Mono_Isotopic_Weight	269.06880783
16422	Total_Formal_Charge	0
8388	Hydrogen_Bond_Acceptor_Count	3
138757296	Exact_Mass	105.032697108
5281416	Isotope_Atom_Count	0
5281078	Molecular_Weight	433.5
53384597	Total_Formal_Charge	0
56436	Hydrogen_Bond_Donor_Count	0
17842471	Covalent_Unit_Count	1
138440	Rotatable_Bond_Count	2
158770620	Exact_Mass	114.104465066
643189	Undefined_Bond_Stereo_Count	0
90184753	Hydrogen_Bond_Acceptor_Count	3
963715	Rotatable_Bond_Count	6
23684827	Mono_Isotopic_Weight	138.97039376
27596	Defined_Bond_Stereo_Count	0
59045964	Structure_Complexity	74.9
12428017	Rotatable_Bond_Count	1
60196274	Defined_Atom_Stereo_Count	3
544	Undefined_Atom_Stereo_Count	0
25077405	Mono_Isotopic_Weight	1321.63562577
86388	Exact_Mass	335.15214353
19707	Total_Formal_Charge	0
67246553	Molecular_Weight	372.4
76720	Defined_Bond_Stereo_Count	0
16668	Exact_Mass	158.073164938
137727	Defined_Atom_Stereo_Count	0
124809075	Defined_Atom_Stereo_Count	16
9804302	Non-hydrogen_Atom_Count	30
179822	TPSA	60.2
55748	Hydrogen_Bond_Acceptor_Count	4
5189	Undefined_Atom_Stereo_Count	0
17754772	Hydrogen_Bond_Acceptor_Count	4
23009814	Total_Formal_Charge	0
70689387	Molecular_Weight	477.5
104729	Hydrogen_Bond_Acceptor_Count	0
2815	Total_Formal_Charge	0
53846424	TPSA	60.7
124159802	Covalent_Unit_Count	1
104805	Isotope_Atom_Count	0
11574877	Defined_Bond_Stereo_Count	0
16051038	Non-hydrogen_Atom_Count	26
74041114	Undefined_Bond_Stereo_Count	0
50128	Molecular_Weight	329.9
517055	Mono_Isotopic_Weight	144.01872368
44571915	Mono_Isotopic_Weight	433.0804889
63036	Non-hydrogen_Atom_Count	32
71449585	Undefined_Bond_Stereo_Count	0
7225	Isotope_Atom_Count	0
533848	Undefined_Atom_Stereo_Count	0
75358112	Rotatable_Bond_Count	6
22401764	Undefined_Atom_Stereo_Count	0
6918123	Undefined_Atom_Stereo_Count	0
7511	Structure_Complexity	59.5
6438877	Structure_Complexity	520
536549	XLogP3-AA	1.3
18656	Total_Formal_Charge	0
160865755	Hydrogen_Bond_Acceptor_Count	2
12428017	Undefined_Bond_Stereo_Count	0
12656387	Defined_Bond_Stereo_Count	0
91819969	XLogP3-AA	0.6
5357155	Mono_Isotopic_Weight	205.07389321
53885557	Defined_Atom_Stereo_Count	0
178080	Defined_Bond_Stereo_Count	0
71568	Rotatable_Bond_Count	0
93154	Isotope_Atom_Count	0
85779440	XLogP3-AA	0.1
163143	Undefined_Bond_Stereo_Count	0
413547	Exact_Mass	231.186123742
2647	Defined_Atom_Stereo_Count	0
6539	Exact_Mass	250.16978172
151173	Undefined_Bond_Stereo_Count	0
51759	Hydrogen_Bond_Acceptor_Count	8
44455117	Molecular_Weight	377.4
11972532	XLogP3-AA	2.3
54173839	Non-hydrogen_Atom_Count	7
2463138	Non-hydrogen_Atom_Count	7
13510025	XLogP3-AA	0
6866	Hydrogen_Bond_Acceptor_Count	1
15256279	Exact_Mass	99.104799419
136059	Rotatable_Bond_Count	0
1560	Defined_Atom_Stereo_Count	0
11235541	Hydrogen_Bond_Acceptor_Count	7
39732	Structure_Complexity	317
57928403	Structure_Complexity	525
141360553	Undefined_Atom_Stereo_Count	2
5746387	XLogP3	0.9
3872	Hydrogen_Bond_Acceptor_Count	11
24958200	Total_Formal_Charge	0
33934	Hydrogen_Bond_Donor_Count	0
3045381	Defined_Bond_Stereo_Count	0
219020	Mono_Isotopic_Weight	421.27292737
11979704	Tautomer_Count	1
3081349	Defined_Atom_Stereo_Count	0
3969	Structure_Complexity	369
57750798	Mono_Isotopic_Weight	112.088815002
86585	Undefined_Bond_Stereo_Count	1
236666	Isotope_Atom_Count	0
3386	Isotope_Atom_Count	0
91501151	Hydrogen_Bond_Donor_Count	0
77213	Isotope_Atom_Count	0
67248938	XLogP3-AA	3
5496862	XLogP3-AA	2.7
10649	Undefined_Bond_Stereo_Count	0
23693089	Defined_Bond_Stereo_Count	0
8972	Hydrogen_Bond_Donor_Count	1
5442	Undefined_Bond_Stereo_Count	0
16215374	Exact_Mass	154.1165099
69917	Rotatable_Bond_Count	2
21908	Structure_Complexity	310
75755	Structure_Complexity	78.7
53493353	Rotatable_Bond_Count	1
446576	Exact_Mass	193.0519578
16073659	Hydrogen_Bond_Donor_Count	0
36034	Hydrogen_Bond_Acceptor_Count	3
2734117	Hydrogen_Bond_Donor_Count	0
12492	Rotatable_Bond_Count	3
82241	Hydrogen_Bond_Donor_Count	0
556836	Non-hydrogen_Atom_Count	7
60814	TPSA	76.2
24917008	Covalent_Unit_Count	1
11154711	Defined_Bond_Stereo_Count	0
129010338	Mono_Isotopic_Weight	416.32904526
524270	TPSA	18.5
54677946	Hydrogen_Bond_Donor_Count	1
5200320	Structure_Complexity	56
98174	Defined_Bond_Stereo_Count	0
24901347	Exact_Mass	463.19296297
344644	Exact_Mass	310.15689456
23662354	Undefined_Atom_Stereo_Count	0
24478	Isotope_Atom_Count	0
7980	Hydrogen_Bond_Acceptor_Count	7
5622	Hydrogen_Bond_Acceptor_Count	8
137224392	Covalent_Unit_Count	8
198822	Exact_Mass	339.0577075
232592	Undefined_Atom_Stereo_Count	1
54887	Exact_Mass	384.19098865
19773393	Covalent_Unit_Count	1
102306506	Defined_Bond_Stereo_Count	1
13974331	Non-hydrogen_Atom_Count	8
25246274	Isotope_Atom_Count	0
5081356	Mono_Isotopic_Weight	534.95758307
35676	Undefined_Bond_Stereo_Count	0
7375	Hydrogen_Bond_Donor_Count	1
5360134	Defined_Atom_Stereo_Count	0
10775424	Defined_Atom_Stereo_Count	5
3170	Hydrogen_Bond_Donor_Count	0
40463608	Rotatable_Bond_Count	0
18317	Undefined_Atom_Stereo_Count	1
8480	Hydrogen_Bond_Acceptor_Count	4
54751657	Total_Formal_Charge	0
10453145	XLogP3-AA	3.8
9940312	TPSA	12
21953621	Structure_Complexity	358
444865	Isotope_Atom_Count	0
316975	Covalent_Unit_Count	1
24393	Defined_Bond_Stereo_Count	0
76355	Hydrogen_Bond_Donor_Count	0
121489236	Defined_Bond_Stereo_Count	0
11698194	XLogP3-AA	6.2
5353521	Defined_Atom_Stereo_Count	0
88598	Tautomer_Count	1
1211	Defined_Bond_Stereo_Count	0
3641960	Defined_Bond_Stereo_Count	0
373949	Structure_Complexity	193
102515495	Structure_Complexity	285
10430619	XLogP3	1.9
15062870	Hydrogen_Bond_Acceptor_Count	2
127036660	Covalent_Unit_Count	1
87929779	Total_Formal_Charge	0
42037	Undefined_Bond_Stereo_Count	0
6973664	XLogP3-AA	3
30065	Total_Formal_Charge	0
57406717	Defined_Atom_Stereo_Count	0
472181	Defined_Bond_Stereo_Count	0
83151608	TPSA	20.2
53909396	Hydrogen_Bond_Donor_Count	1
9657	Undefined_Atom_Stereo_Count	1
9863827	Undefined_Atom_Stereo_Count	0
101239377	Covalent_Unit_Count	1
91171	Exact_Mass	118.099379685
78423105	Exact_Mass	259.04289038
6258	Defined_Atom_Stereo_Count	0
30137	Covalent_Unit_Count	1
14440697	Mono_Isotopic_Weight	364.10592162
12316	Rotatable_Bond_Count	2
572516	Mono_Isotopic_Weight	108.068748264
2760115	Tautomer_Count	1
12093171	Defined_Atom_Stereo_Count	0
7491	Structure_Complexity	157
441328	Non-hydrogen_Atom_Count	18
11105314	Defined_Atom_Stereo_Count	0
58207	Defined_Atom_Stereo_Count	0
16211283	Defined_Bond_Stereo_Count	0
138	Non-hydrogen_Atom_Count	8
6518	Structure_Complexity	311
19176	Isotope_Atom_Count	0
57406911	Non-hydrogen_Atom_Count	32
21470	Structure_Complexity	1120
12248528	Mono_Isotopic_Weight	112.016043985
13010228	Molecular_Weight	98.10
10560335	Structure_Complexity	152
61111	Undefined_Atom_Stereo_Count	2
337121	Defined_Bond_Stereo_Count	0
53475321	Hydrogen_Bond_Acceptor_Count	5
112029	Isotope_Atom_Count	0
36798	Structure_Complexity	225
5289006	TPSA	124
11669698	Covalent_Unit_Count	1
88406	Mono_Isotopic_Weight	144.078644241
134693050	TPSA	272
9141	Undefined_Atom_Stereo_Count	0
71458869	Defined_Atom_Stereo_Count	0
5713	TPSA	106
91021644	Isotope_Atom_Count	0
15940170	Structure_Complexity	655
6169	TPSA	65.6
57185798	Isotope_Atom_Count	0
4828	TPSA	57.3
62705	Structure_Complexity	31
23466227	Structure_Complexity	118
46244259	Defined_Bond_Stereo_Count	0
2733660	Exact_Mass	267.87215
44366214	TPSA	349
7642	Exact_Mass	412.35526001
91810695	Exact_Mass	976.3034938
2812	Structure_Complexity	396
13895197	Hydrogen_Bond_Donor_Count	5
89456730	Rotatable_Bond_Count	0
4015	Defined_Bond_Stereo_Count	0
10290728	Hydrogen_Bond_Acceptor_Count	1
17129	Molecular_Weight	172.26
54758034	Defined_Bond_Stereo_Count	0
547935	Mono_Isotopic_Weight	117.078978594
66425	Structure_Complexity	408
57825229	Defined_Bond_Stereo_Count	0
44338970	Defined_Bond_Stereo_Count	0
21263577	Total_Formal_Charge	0
259751	Hydrogen_Bond_Acceptor_Count	4
77317	Mono_Isotopic_Weight	108.068748264
89951991	Hydrogen_Bond_Acceptor_Count	11
10129921	Mono_Isotopic_Weight	111.068413911
79276	Total_Formal_Charge	0
57288387	TPSA	110
81885	Isotope_Atom_Count	0
263076	Covalent_Unit_Count	1
55288840	Defined_Atom_Stereo_Count	0
346926	Defined_Bond_Stereo_Count	0
13639781	Exact_Mass	107.037113783
30373	Isotope_Atom_Count	0
523523	XLogP3-AA	2.3
24450	Non-hydrogen_Atom_Count	7
14459015	Hydrogen_Bond_Acceptor_Count	5
8434	Defined_Bond_Stereo_Count	0
138733	Hydrogen_Bond_Acceptor_Count	1
54493962	Undefined_Atom_Stereo_Count	0
107202	Exact_Mass	166.062994177
147594753	Defined_Bond_Stereo_Count	0
14343599	Isotope_Atom_Count	0
7263	Mono_Isotopic_Weight	142.0297759
38945	XLogP3	0.8
57254473	Defined_Bond_Stereo_Count	0
76344	Hydrogen_Bond_Acceptor_Count	4
75609	Tautomer_Count	1
1942902	TPSA	69.1
101625661	Hydrogen_Bond_Donor_Count	2
57370827	Molecular_Weight	112.08
4619	Tautomer_Count	1
13531383	Hydrogen_Bond_Acceptor_Count	2
25474	Undefined_Atom_Stereo_Count	0
1153	Structure_Complexity	176
24857598	Hydrogen_Bond_Donor_Count	0
3789	Isotope_Atom_Count	0
15166013	Non-hydrogen_Atom_Count	8
67258976	Non-hydrogen_Atom_Count	8
115367	Molecular_Weight	463.0
66063	Hydrogen_Bond_Donor_Count	1
2034	Rotatable_Bond_Count	2
398743	Molecular_Weight	249.82
523547	Structure_Complexity	179
54378536	TPSA	0
190816	Hydrogen_Bond_Donor_Count	1
22137869	Covalent_Unit_Count	1
11544171	Covalent_Unit_Count	1
673	Tautomer_Count	1
85065	Hydrogen_Bond_Acceptor_Count	5
86767860	Rotatable_Bond_Count	1
18402	Hydrogen_Bond_Acceptor_Count	2
77843966	Defined_Atom_Stereo_Count	2
78490	Hydrogen_Bond_Donor_Count	0
823887	Non-hydrogen_Atom_Count	20
71457147	Isotope_Atom_Count	0
163934	Molecular_Weight	170.25
57397762	Undefined_Atom_Stereo_Count	0
101534	Mono_Isotopic_Weight	240.14739250
16760703	TPSA	40.1
46937085	Isotope_Atom_Count	0
2782201	Mono_Isotopic_Weight	255.07317976
4874	Total_Formal_Charge	0
68023	XLogP3	1.6
70068	Isotope_Atom_Count	0
5288700	Mono_Isotopic_Weight	258.01406892
8333	Hydrogen_Bond_Acceptor_Count	2
97736001	Defined_Bond_Stereo_Count	0
61080	Rotatable_Bond_Count	5
16212480	Defined_Atom_Stereo_Count	4
54399	Non-hydrogen_Atom_Count	31
158770620	Non-hydrogen_Atom_Count	8
88142236	Rotatable_Bond_Count	4
139135915	Hydrogen_Bond_Acceptor_Count	2
22858512	Defined_Bond_Stereo_Count	0
11622909	Undefined_Bond_Stereo_Count	0
2815	Molecular_Weight	294.50
18462872	TPSA	49.3
115367	Hydrogen_Bond_Donor_Count	1
3151	Hydrogen_Bond_Acceptor_Count	3
1201546	Mono_Isotopic_Weight	132.96560607
15721166	Undefined_Bond_Stereo_Count	0
134695356	TPSA	194
46173707	Total_Formal_Charge	0
5461012	Molecular_Weight	253.40
992	Molecular_Weight	266.3
9543528	Undefined_Atom_Stereo_Count	0
402827	Structure_Complexity	932
14109	XLogP3	5.5
12711600	Structure_Complexity	72.9
22395644	Covalent_Unit_Count	1
6950199	Rotatable_Bond_Count	2
6619879	Covalent_Unit_Count	1
6538989	Total_Formal_Charge	0
156587369	Defined_Atom_Stereo_Count	31
5702114	Defined_Bond_Stereo_Count	0
6779	Defined_Atom_Stereo_Count	0
156617849	Isotope_Atom_Count	0
429734	Rotatable_Bond_Count	5
8672	Undefined_Atom_Stereo_Count	0
135398570	Structure_Complexity	616
68030	Non-hydrogen_Atom_Count	8
6145931	Hydrogen_Bond_Acceptor_Count	5
57394195	Total_Formal_Charge	0
15624	Total_Formal_Charge	0
7240	Mono_Isotopic_Weight	127.0188769
14557074	Hydrogen_Bond_Acceptor_Count	3
484646	Covalent_Unit_Count	1
427842	XLogP3-AA	1.5
54580795	Isotope_Atom_Count	0
18684896	Total_Formal_Charge	0
55973	XLogP3	3.4
836002	Mono_Isotopic_Weight	232.0403406
449517	Rotatable_Bond_Count	27
5311047	Defined_Atom_Stereo_Count	2
3232583	Hydrogen_Bond_Acceptor_Count	6
5943	Rotatable_Bond_Count	0
13445116	Hydrogen_Bond_Donor_Count	0
123904644	Molecular_Weight	108.18
20798667	Structure_Complexity	48.1
53978983	Exact_Mass	114.068079557
58550597	Isotope_Atom_Count	0
16051	Hydrogen_Bond_Donor_Count	0
7239	Rotatable_Bond_Count	0
89651175	XLogP3-AA	0.6
55008	Rotatable_Bond_Count	26
21703573	Defined_Atom_Stereo_Count	0
10887840	Defined_Bond_Stereo_Count	0
1046	Rotatable_Bond_Count	1
102239676	Undefined_Bond_Stereo_Count	0
7199	Exact_Mass	140.120115130
9946953	Non-hydrogen_Atom_Count	24
23677992	Structure_Complexity	932
12479058	Hydrogen_Bond_Donor_Count	0
11354606	Covalent_Unit_Count	1
5954	Total_Formal_Charge	0
49784945	Molecular_Weight	377.4
11477833	Hydrogen_Bond_Donor_Count	3
59874134	Molecular_Weight	98.14
12333	Defined_Atom_Stereo_Count	0
15715913	Defined_Atom_Stereo_Count	0
522325	Isotope_Atom_Count	0
44308032	Non-hydrogen_Atom_Count	27
57642398	Non-hydrogen_Atom_Count	7
63954	Rotatable_Bond_Count	2
83648	Rotatable_Bond_Count	4
91464153	Mono_Isotopic_Weight	111.032028402
69262172	TPSA	53
351155	Undefined_Atom_Stereo_Count	0
6918242	Total_Formal_Charge	0
123322483	TPSA	47.6
5794	Defined_Atom_Stereo_Count	0
67175581	Defined_Atom_Stereo_Count	0
44427236	Non-hydrogen_Atom_Count	29
7506	Tautomer_Count	1
529273	Total_Formal_Charge	0
10638446	Hydrogen_Bond_Donor_Count	0
437289	Structure_Complexity	604
7080	Undefined_Bond_Stereo_Count	0
139356	Hydrogen_Bond_Acceptor_Count	11
13158036	Tautomer_Count	1
116491595	Rotatable_Bond_Count	2
12275548	Isotope_Atom_Count	0
15148131	XLogP3-AA	0.6
10339178	Isotope_Atom_Count	0
170361	Non-hydrogen_Atom_Count	16
130150414	Hydrogen_Bond_Acceptor_Count	4
4227	Hydrogen_Bond_Acceptor_Count	4
78960	Hydrogen_Bond_Acceptor_Count	1
13601	Rotatable_Bond_Count	0
22611003	Undefined_Atom_Stereo_Count	0
71541190	Undefined_Bond_Stereo_Count	0
1021	Covalent_Unit_Count	1
54961	Rotatable_Bond_Count	5
1550887	Undefined_Bond_Stereo_Count	0
101943115	Hydrogen_Bond_Donor_Count	0
656597	Total_Formal_Charge	0
12708563	Hydrogen_Bond_Acceptor_Count	1
14220	Undefined_Atom_Stereo_Count	1
11297617	Molecular_Weight	981.0
23665772	Undefined_Atom_Stereo_Count	2
10887879	Hydrogen_Bond_Acceptor_Count	2
169573	Rotatable_Bond_Count	3
91469693	Exact_Mass	96.057514874
69860	Isotope_Atom_Count	0
154101	Hydrogen_Bond_Acceptor_Count	3
4283516	Tautomer_Count	1
40466968	Defined_Atom_Stereo_Count	1
200	Tautomer_Count	5
110373	Defined_Atom_Stereo_Count	0
23675320	Defined_Bond_Stereo_Count	0
456199	Rotatable_Bond_Count	4
1489495	Defined_Bond_Stereo_Count	0
11698	Covalent_Unit_Count	1
265520	Hydrogen_Bond_Acceptor_Count	2
43961	Isotope_Atom_Count	0
134283942	Isotope_Atom_Count	0
13602	Defined_Atom_Stereo_Count	0
1512518	Rotatable_Bond_Count	0
12523672	TPSA	26
501728	Undefined_Bond_Stereo_Count	0
44237	Defined_Bond_Stereo_Count	0
41839	Mono_Isotopic_Weight	359.0746777
817383	Defined_Bond_Stereo_Count	0
7292	Isotope_Atom_Count	0
37545	Covalent_Unit_Count	1
13150	Tautomer_Count	1
5225092	Undefined_Bond_Stereo_Count	0
44284481	Defined_Atom_Stereo_Count	23
5927	TPSA	183
19846	Covalent_Unit_Count	1
102428	Molecular_Weight	327.8
24838347	Exact_Mass	196.0138511
21249654	Total_Formal_Charge	2
122517441	Covalent_Unit_Count	1
44629484	Undefined_Atom_Stereo_Count	0
51040	XLogP3-AA	4.8
16760063	Non-hydrogen_Atom_Count	34
57882	Rotatable_Bond_Count	11
74724	Total_Formal_Charge	0
12604	Rotatable_Bond_Count	10
14388559	Defined_Bond_Stereo_Count	0
97171	Hydrogen_Bond_Acceptor_Count	3
3036235	TPSA	141
13415147	Defined_Atom_Stereo_Count	0
56841628	Undefined_Bond_Stereo_Count	0
12732837	Structure_Complexity	162
44257207	Covalent_Unit_Count	1
619	TPSA	98
5521	Mono_Isotopic_Weight	161.06056562
148007841	Undefined_Bond_Stereo_Count	0
528166	TPSA	0
61124202	Molecular_Weight	113.12
5227	Defined_Atom_Stereo_Count	0
20658615	Exact_Mass	112.052429494
3515	Exact_Mass	198.140850574
10606713	Isotope_Atom_Count	0
558	Exact_Mass	173.08004122
18719	Covalent_Unit_Count	1
12847949	Tautomer_Count	2
124745612	Total_Formal_Charge	0
963289	Undefined_Atom_Stereo_Count	0
25154200	Total_Formal_Charge	0
72871	Non-hydrogen_Atom_Count	13
20644743	Structure_Complexity	318
59750537	XLogP3-AA	1
63610	Defined_Atom_Stereo_Count	0
18660697	Hydrogen_Bond_Acceptor_Count	9
58806287	Total_Formal_Charge	0
91224654	Total_Formal_Charge	0
11350701	Defined_Bond_Stereo_Count	0
8184	Defined_Atom_Stereo_Count	0
26546	Defined_Bond_Stereo_Count	0
177870	Exact_Mass	341.875353
23687713	Molecular_Weight	231.20
136010411	Hydrogen_Bond_Acceptor_Count	3
12562238	Defined_Bond_Stereo_Count	0
11565240	Structure_Complexity	457
619387	Isotope_Atom_Count	0
3352	Hydrogen_Bond_Donor_Count	1
82593533	Defined_Atom_Stereo_Count	0
22875828	Exact_Mass	390.18425212
2734389	Hydrogen_Bond_Donor_Count	2
60196437	Exact_Mass	376.13469677
154809859	Hydrogen_Bond_Acceptor_Count	14
87060437	Structure_Complexity	688
21345781	Non-hydrogen_Atom_Count	6
53803	Total_Formal_Charge	0
27236	Covalent_Unit_Count	1
21617086	Non-hydrogen_Atom_Count	8
11116296	Covalent_Unit_Count	1
216247	Covalent_Unit_Count	1
22385738	Total_Formal_Charge	0
33251	Hydrogen_Bond_Donor_Count	0
74823	Mono_Isotopic_Weight	246.0447573
44160137	Non-hydrogen_Atom_Count	27
51030053	Total_Formal_Charge	0
2729103	Defined_Atom_Stereo_Count	0
413728	Undefined_Bond_Stereo_Count	0
22450938	Non-hydrogen_Atom_Count	12
135402009	Molecular_Weight	473.4
104977	Mono_Isotopic_Weight	232.088815002
15485370	TPSA	66.8
106705	Undefined_Bond_Stereo_Count	0
121513955	XLogP3-AA	4.3
5460307	Undefined_Atom_Stereo_Count	0
562634	Exact_Mass	289.11365002
439587	TPSA	90
10913	Undefined_Atom_Stereo_Count	0
50313	TPSA	99.1
15889752	Undefined_Atom_Stereo_Count	2
115237	Defined_Atom_Stereo_Count	0
81844	TPSA	17.1
135762717	Undefined_Bond_Stereo_Count	0
49866693	Undefined_Atom_Stereo_Count	0
3086686	XLogP3-AA	2.6
69948495	Defined_Atom_Stereo_Count	0
21107383	Structure_Complexity	485
11062802	Molecular_Weight	168.28
440175	Covalent_Unit_Count	1
11345692	Hydrogen_Bond_Donor_Count	0
36613	Tautomer_Count	1
137944176	Total_Formal_Charge	0
22851718	Hydrogen_Bond_Donor_Count	1
852933	XLogP3-AA	2.2
54687420	Mono_Isotopic_Weight	249.03632541
66908206	Non-hydrogen_Atom_Count	8
140400	Undefined_Atom_Stereo_Count	0
643786	Hydrogen_Bond_Donor_Count	0
32052	Rotatable_Bond_Count	2
10180201	Isotope_Atom_Count	0
68182	Mono_Isotopic_Weight	128.04489933
440784	Non-hydrogen_Atom_Count	43
11949285	XLogP3	3.4
43146	Structure_Complexity	327
156418	Undefined_Bond_Stereo_Count	0
6432746	Covalent_Unit_Count	1
4308	Tautomer_Count	2
10531	Covalent_Unit_Count	1
62551	Non-hydrogen_Atom_Count	16
60662	Rotatable_Bond_Count	12
119098214	Molecular_Weight	98.14
7500	TPSA	0
23221	Non-hydrogen_Atom_Count	16
117217480	Undefined_Atom_Stereo_Count	0
65708	Molecular_Weight	190.20
399895	Undefined_Atom_Stereo_Count	4
3894848	Covalent_Unit_Count	1
10944	Undefined_Atom_Stereo_Count	1
11971580	Covalent_Unit_Count	1
54757520	Isotope_Atom_Count	0
8878	Non-hydrogen_Atom_Count	12
54114222	Hydrogen_Bond_Donor_Count	0
77690	Defined_Bond_Stereo_Count	0
6323236	Defined_Bond_Stereo_Count	3
439739	Molecular_Weight	346.5
5311064	Hydrogen_Bond_Acceptor_Count	5
150679	Molecular_Weight	270.25
53151	TPSA	62.1
44458766	TPSA	157
2761399	Total_Formal_Charge	0
71517697	Molecular_Weight	457.5
3037886	Mono_Isotopic_Weight	231.162314293
53757199	Defined_Atom_Stereo_Count	0
60196352	Isotope_Atom_Count	0
6321432	Mono_Isotopic_Weight	645.23224432
35399	XLogP3-AA	1.4
54697325	Defined_Atom_Stereo_Count	4
848	Total_Formal_Charge	0
8766	Undefined_Atom_Stereo_Count	0
231931	Defined_Atom_Stereo_Count	0
85944292	Isotope_Atom_Count	0
5388880	Structure_Complexity	0
171257	Undefined_Atom_Stereo_Count	0
97991	Non-hydrogen_Atom_Count	13
71462631	Defined_Bond_Stereo_Count	0
142796	Exact_Mass	68.026214747
536549	Rotatable_Bond_Count	0
23663973	Structure_Complexity	452
57869404	Non-hydrogen_Atom_Count	8
96886	Rotatable_Bond_Count	4
9269197	Mono_Isotopic_Weight	379.20082506
4046	Hydrogen_Bond_Acceptor_Count	9
1516	Hydrogen_Bond_Donor_Count	3
14815775	Covalent_Unit_Count	1
133268473	Isotope_Atom_Count	0
16131300	Hydrogen_Bond_Acceptor_Count	46
67975127	Undefined_Bond_Stereo_Count	0
25272022	Undefined_Atom_Stereo_Count	0
76783	Covalent_Unit_Count	1
11388558	Rotatable_Bond_Count	5
15020	Defined_Atom_Stereo_Count	8
9026	Hydrogen_Bond_Donor_Count	1
21637412	Undefined_Atom_Stereo_Count	0
15001198	Exact_Mass	235.84260
140180	Non-hydrogen_Atom_Count	7
64832	Molecular_Weight	190.28
21737	XLogP3-AA	1.4
65836	Isotope_Atom_Count	0
52039	Rotatable_Bond_Count	2
102538	Undefined_Atom_Stereo_Count	1
53340666	Defined_Atom_Stereo_Count	0
12306686	Undefined_Bond_Stereo_Count	0
10209	Exact_Mass	174.068079557
3009817	Isotope_Atom_Count	0
135439051	Structure_Complexity	215
71762	Non-hydrogen_Atom_Count	73
71306404	Covalent_Unit_Count	1
16659838	Defined_Atom_Stereo_Count	1
5205	Structure_Complexity	397
21902132	Covalent_Unit_Count	1
60196366	Mono_Isotopic_Weight	539.93301
136400	Rotatable_Bond_Count	0
10062737	Total_Formal_Charge	0
43432	Defined_Bond_Stereo_Count	0
53747824	Hydrogen_Bond_Acceptor_Count	2
101707094	Undefined_Bond_Stereo_Count	0
58097518	Exact_Mass	98.036779430
6723	XLogP3-AA	0.1
16129690	Defined_Bond_Stereo_Count	0
525	Defined_Atom_Stereo_Count	0
10953456	TPSA	22.4
43184	Defined_Atom_Stereo_Count	0
4433698	TPSA	214
12705044	Covalent_Unit_Count	1
53435617	Molecular_Weight	290.3
20299878	Non-hydrogen_Atom_Count	7
91682	Hydrogen_Bond_Donor_Count	0
22061626	Non-hydrogen_Atom_Count	8
5282768	TPSA	37.3
152807	Undefined_Atom_Stereo_Count	1
9574962	Non-hydrogen_Atom_Count	27
4313918	Isotope_Atom_Count	0
35784	Defined_Bond_Stereo_Count	0
139291730	Molecular_Weight	844.0
16666	Covalent_Unit_Count	1
32592	Defined_Bond_Stereo_Count	0
16219580	Structure_Complexity	151
57061367	Structure_Complexity	62.7
24472	Defined_Atom_Stereo_Count	0
59169	Hydrogen_Bond_Acceptor_Count	2
14294923	Non-hydrogen_Atom_Count	8
12370	Undefined_Bond_Stereo_Count	0
224	Mono_Isotopic_Weight	347.06308480
15110004	Rotatable_Bond_Count	4
74320	Rotatable_Bond_Count	2
3146673	Exact_Mass	249.126597491
68710	TPSA	28.6
162918376	Undefined_Atom_Stereo_Count	0
11666	Defined_Atom_Stereo_Count	0
166744	Rotatable_Bond_Count	11
12513438	Defined_Atom_Stereo_Count	0
443878	TPSA	139
556722	Exact_Mass	108.093900383
96396	Undefined_Atom_Stereo_Count	0
89683805	Molecular_Weight	473.4
5367222	Isotope_Atom_Count	0
24181320	Isotope_Atom_Count	0
2752638	Covalent_Unit_Count	1
2588	Covalent_Unit_Count	1
6656	Covalent_Unit_Count	1
70962	Structure_Complexity	149
68901	Exact_Mass	265.06111730
37768	Total_Formal_Charge	0
69453791	Defined_Bond_Stereo_Count	0
34560	Undefined_Atom_Stereo_Count	0
12149454	Covalent_Unit_Count	2
12309462	Hydrogen_Bond_Acceptor_Count	4
11479128	Undefined_Atom_Stereo_Count	0
13194811	Hydrogen_Bond_Acceptor_Count	3
23663403	Molecular_Weight	380.4
25246316	XLogP3-AA	7.5
6950274	Defined_Bond_Stereo_Count	0
453618	Mono_Isotopic_Weight	776.23348565
31398	Total_Formal_Charge	0
446871	Molecular_Weight	466.4
13671	Molecular_Weight	181.15
3015798	Defined_Bond_Stereo_Count	0
92444	Molecular_Weight	338.9
25262965	Defined_Atom_Stereo_Count	2
526739	Exact_Mass	244.20384475
11269	Undefined_Atom_Stereo_Count	0
10582755	Defined_Atom_Stereo_Count	0
7985	Undefined_Bond_Stereo_Count	0
46225290	Total_Formal_Charge	0
668744	Undefined_Atom_Stereo_Count	0
6419536	TPSA	50.2
130600	Mono_Isotopic_Weight	113.084063974
135413545	Covalent_Unit_Count	5
146935695	Defined_Bond_Stereo_Count	0
11105655	Covalent_Unit_Count	1
5873	Undefined_Bond_Stereo_Count	0
3520	Hydrogen_Bond_Donor_Count	3
13035004	Molecular_Weight	101.10
46324	Hydrogen_Bond_Donor_Count	1
40784491	Mono_Isotopic_Weight	145.052763847
90476955	TPSA	0
77680	Covalent_Unit_Count	1
6359	Hydrogen_Bond_Donor_Count	0
19662	Isotope_Atom_Count	0
136582	Non-hydrogen_Atom_Count	7
136183544	Rotatable_Bond_Count	4
6359	Exact_Mass	161.86387
139292186	Defined_Bond_Stereo_Count	2
5035	Isotope_Atom_Count	0
46840946	Rotatable_Bond_Count	6
98306	Rotatable_Bond_Count	2
46193082	Total_Formal_Charge	0
502272	Exact_Mass	346.14884905
56924536	Exact_Mass	309.921259
36109	Molecular_Weight	257.33
23691019	Hydrogen_Bond_Donor_Count	0
899	Molecular_Weight	221.21
9939627	Structure_Complexity	836
25142309	Undefined_Bond_Stereo_Count	0
135491830	Defined_Bond_Stereo_Count	1
10303	Covalent_Unit_Count	1
75394	Structure_Complexity	118
67626	Structure_Complexity	261
2922	Undefined_Bond_Stereo_Count	2
16063245	Mono_Isotopic_Weight	530.17904181
171970	Hydrogen_Bond_Donor_Count	1
10535	TPSA	43.1
1385867	Mono_Isotopic_Weight	102.128274515
4136521	Structure_Complexity	986
986	Covalent_Unit_Count	1
71752170	Undefined_Atom_Stereo_Count	0
6437405	Covalent_Unit_Count	1
12732	Molecular_Weight	82.14
87293	Molecular_Weight	193.24
6506	Hydrogen_Bond_Donor_Count	1
25079425	Total_Formal_Charge	0
4604180	Rotatable_Bond_Count	8
58436	Molecular_Weight	278.39
449487	Undefined_Bond_Stereo_Count	0
119171	Mono_Isotopic_Weight	631.24473756
679777	Total_Formal_Charge	0
54727975	TPSA	82.4
11534864	Defined_Bond_Stereo_Count	1
123481111	Covalent_Unit_Count	1
25271631	Defined_Bond_Stereo_Count	0
2526	Undefined_Bond_Stereo_Count	0
524629	Exact_Mass	98.109550447
6896	Undefined_Bond_Stereo_Count	0
15107	Isotope_Atom_Count	0
9870785	Isotope_Atom_Count	0
5367805	Hydrogen_Bond_Donor_Count	2
10633	Defined_Atom_Stereo_Count	7
9903853	Total_Formal_Charge	0
144459	Total_Formal_Charge	0
4217966	Undefined_Atom_Stereo_Count	1
8747	Mono_Isotopic_Weight	322.999598
123704723	Mono_Isotopic_Weight	112.088815002
13186	Non-hydrogen_Atom_Count	8
3822	TPSA	69.7
90957	Mono_Isotopic_Weight	716.13357
12349940	Hydrogen_Bond_Donor_Count	0
11973	Isotope_Atom_Count	0
44201342	Hydrogen_Bond_Acceptor_Count	76
10949	Hydrogen_Bond_Acceptor_Count	5
18521	Covalent_Unit_Count	1
54581904	Molecular_Weight	300.4
31640	Tautomer_Count	2
12172743	XLogP3-AA	1.3
100156	Undefined_Bond_Stereo_Count	0
11852	Structure_Complexity	150
11033	TPSA	124
91434	TPSA	123
29675	Defined_Atom_Stereo_Count	0
821598	Hydrogen_Bond_Donor_Count	1
143856	Defined_Bond_Stereo_Count	0
101171	Molecular_Weight	114.14
86278347	Molecular_Weight	447.5
135398640	Hydrogen_Bond_Donor_Count	5
447043	Hydrogen_Bond_Acceptor_Count	14
67899	Rotatable_Bond_Count	0
6641	Exact_Mass	270.161979940
53316474	Undefined_Atom_Stereo_Count	0
24705318	Hydrogen_Bond_Acceptor_Count	2
60822	Tautomer_Count	3
33944	Tautomer_Count	1
28430	Total_Formal_Charge	0
57399614	TPSA	105
76619	Undefined_Bond_Stereo_Count	0
611370	TPSA	67.2
262	Covalent_Unit_Count	1
13698	Structure_Complexity	207
12375523	Undefined_Bond_Stereo_Count	0
16135076	Molecular_Weight	1459.1
44629522	Molecular_Weight	582.7
55910	Hydrogen_Bond_Donor_Count	2
11632737	Mono_Isotopic_Weight	401.11218768
53317194	Undefined_Atom_Stereo_Count	0
453915	Defined_Bond_Stereo_Count	0
5248048	Hydrogen_Bond_Acceptor_Count	1
5355254	TPSA	26.3
17073	Molecular_Weight	159.44
5948	Covalent_Unit_Count	1
9963056	Covalent_Unit_Count	3
17050	TPSA	29.5
61594	XLogP3-AA	4.2
69676	XLogP3	2.9
54581	TPSA	106
16749605	Rotatable_Bond_Count	11
303	Non-hydrogen_Atom_Count	29
89145326	Undefined_Bond_Stereo_Count	0
35459	Molecular_Weight	162.18
40467053	Undefined_Bond_Stereo_Count	0
437	Molecular_Weight	179.17
22096197	Covalent_Unit_Count	1
122081	Defined_Bond_Stereo_Count	0
23540330	Hydrogen_Bond_Donor_Count	1
485482	Molecular_Weight	309.4
67532	Tautomer_Count	2
21670825	Defined_Atom_Stereo_Count	5
8350	Covalent_Unit_Count	1
128549	Covalent_Unit_Count	1
9892540	Isotope_Atom_Count	0
131876601	Defined_Bond_Stereo_Count	2
12171	Tautomer_Count	1
7959	Structure_Complexity	108
84976	Rotatable_Bond_Count	4
53432675	Isotope_Atom_Count	0
131751341	Molecular_Weight	513.5
5464262	Covalent_Unit_Count	4
12622744	Undefined_Bond_Stereo_Count	0
104967	Hydrogen_Bond_Acceptor_Count	0
281	Structure_Complexity	10
4898	Total_Formal_Charge	0
10867444	XLogP3-AA	4.4
445723	Total_Formal_Charge	0
91399390	Isotope_Atom_Count	0
20592404	Undefined_Atom_Stereo_Count	0
14022511	Molecular_Weight	275.33
54889	Defined_Atom_Stereo_Count	3
6346	Undefined_Bond_Stereo_Count	0
7179	Defined_Atom_Stereo_Count	0
1143	Defined_Bond_Stereo_Count	0
91285707	Hydrogen_Bond_Donor_Count	0
175948	Rotatable_Bond_Count	3
59446219	Hydrogen_Bond_Donor_Count	7
6433718	Molecular_Weight	829.6
136257950	Hydrogen_Bond_Acceptor_Count	14
30175	Rotatable_Bond_Count	1
12950121	Rotatable_Bond_Count	1
14545018	Undefined_Atom_Stereo_Count	0
131664126	Covalent_Unit_Count	7
9938	Molecular_Weight	130.19
23597592	TPSA	29.5
5053503	Undefined_Bond_Stereo_Count	0
156513855	Non-hydrogen_Atom_Count	7
671214	Total_Formal_Charge	0
160817	Mono_Isotopic_Weight	238.062994177
91490309	Covalent_Unit_Count	1
7858	Hydrogen_Bond_Acceptor_Count	1
21855	Tautomer_Count	2
67420384	Mono_Isotopic_Weight	110.048012819
23667657	Exact_Mass	435.9556460
3033943	Isotope_Atom_Count	0
85624637	Defined_Bond_Stereo_Count	0
13033	Isotope_Atom_Count	0
221126	Hydrogen_Bond_Donor_Count	0
76964582	Isotope_Atom_Count	0
16218740	Undefined_Bond_Stereo_Count	0
9432	Total_Formal_Charge	0
140985566	Hydrogen_Bond_Acceptor_Count	3
984454	Structure_Complexity	738
88534961	Total_Formal_Charge	0
27903	Total_Formal_Charge	0
51081	Rotatable_Bond_Count	3
14301363	Mono_Isotopic_Weight	408.28757437
517106	Defined_Bond_Stereo_Count	0
73442	Hydrogen_Bond_Donor_Count	0
11503692	Molecular_Weight	467.5
72165188	Tautomer_Count	4
168971	XLogP3-AA	1.1
688217	Mono_Isotopic_Weight	339.14705815
55289397	Hydrogen_Bond_Donor_Count	2
54466147	TPSA	29.5
54679016	Mono_Isotopic_Weight	373.22530847
26757	Hydrogen_Bond_Acceptor_Count	1
53850432	Undefined_Atom_Stereo_Count	0
9847	Total_Formal_Charge	0
3002120	Mono_Isotopic_Weight	702.29817356
446080	Isotope_Atom_Count	0
157903531	Undefined_Bond_Stereo_Count	0
558341	XLogP3-AA	0.2
54460486	Isotope_Atom_Count	0
66412	Rotatable_Bond_Count	1
129738943	Hydrogen_Bond_Acceptor_Count	2
78014	Mono_Isotopic_Weight	109.063997236
3916	Covalent_Unit_Count	1
134688669	Hydrogen_Bond_Donor_Count	2
101050964	Undefined_Atom_Stereo_Count	2
9295	Total_Formal_Charge	0
91747	Hydrogen_Bond_Acceptor_Count	7
12452686	Defined_Atom_Stereo_Count	0
90532	Undefined_Bond_Stereo_Count	0
118855860	Undefined_Bond_Stereo_Count	0
60168097	Defined_Bond_Stereo_Count	0
139588352	Rotatable_Bond_Count	12
65084	Molecular_Weight	306.27
6436138	Defined_Atom_Stereo_Count	0
13530219	Mono_Isotopic_Weight	110.073164938
443942	Rotatable_Bond_Count	4
90720950	Molecular_Weight	114.08
60860	Covalent_Unit_Count	1
20587	Rotatable_Bond_Count	5
123884	Undefined_Atom_Stereo_Count	0
9282	Structure_Complexity	1180
155465	Rotatable_Bond_Count	0
5018304	Undefined_Bond_Stereo_Count	0
7048569	Undefined_Bond_Stereo_Count	0
68551	Covalent_Unit_Count	2
5284596	Molecular_Weight	327.4
77998	Hydrogen_Bond_Donor_Count	3
20653	Covalent_Unit_Count	1
100516	Covalent_Unit_Count	1
8230	Molecular_Weight	1084.2
23080446	Defined_Atom_Stereo_Count	0
5281025	TPSA	222
12739589	Defined_Atom_Stereo_Count	0
9601349	Total_Formal_Charge	0
84648	Hydrogen_Bond_Acceptor_Count	3
131709170	Molecular_Weight	1355.4
16371051	Structure_Complexity	532
5852	Structure_Complexity	124
648601	Mono_Isotopic_Weight	257.10519334
6247	Tautomer_Count	1
20056755	Defined_Bond_Stereo_Count	0
21677759	Exact_Mass	302.13923312
31261	Non-hydrogen_Atom_Count	7
12561666	Rotatable_Bond_Count	0
887	Defined_Bond_Stereo_Count	0
71306415	Isotope_Atom_Count	0
3844264	TPSA	126
10401	Hydrogen_Bond_Acceptor_Count	2
12553930	Defined_Atom_Stereo_Count	0
70680969	Rotatable_Bond_Count	7
15475335	TPSA	48.9
135421392	Undefined_Bond_Stereo_Count	0
11455910	Defined_Atom_Stereo_Count	0
10953450	Molecular_Weight	110.11
18764599	XLogP3-AA	0.2
66751347	Isotope_Atom_Count	0
17541	Hydrogen_Bond_Donor_Count	0
60602	Structure_Complexity	1100
65228	Molecular_Weight	495.0
12405	Undefined_Bond_Stereo_Count	0
11513721	Undefined_Bond_Stereo_Count	0
478951	Total_Formal_Charge	0
22057009	Hydrogen_Bond_Acceptor_Count	4
7017620	TPSA	38
163781	Rotatable_Bond_Count	39
69602	Molecular_Weight	153.18
176960	Hydrogen_Bond_Donor_Count	1
12682	Isotope_Atom_Count	0
613144	Rotatable_Bond_Count	2
11995188	Undefined_Atom_Stereo_Count	0
8208	Tautomer_Count	1
146158506	XLogP3-AA	2.5
44560807	Total_Formal_Charge	0
7146283	Hydrogen_Bond_Acceptor_Count	6
12255457	Hydrogen_Bond_Donor_Count	0
15516956	Covalent_Unit_Count	1
11457680	Exact_Mass	115.063328530
413520	Hydrogen_Bond_Donor_Count	0
817150	Undefined_Atom_Stereo_Count	0
67569543	Covalent_Unit_Count	1
21942072	Mono_Isotopic_Weight	98.084398327
129734884	Structure_Complexity	736
8788	Structure_Complexity	219
71713950	Structure_Complexity	543
12346769	Structure_Complexity	171
133640201	Tautomer_Count	1
11636	Non-hydrogen_Atom_Count	27
70608	Molecular_Weight	180.09
15658	Rotatable_Bond_Count	0
65681	Molecular_Weight	236.27
123754760	Hydrogen_Bond_Donor_Count	0
51017507	Exact_Mass	1201.84136802
101630689	Defined_Atom_Stereo_Count	13
35075	Covalent_Unit_Count	1
32065	Total_Formal_Charge	0
91826482	Hydrogen_Bond_Acceptor_Count	9
8748	Hydrogen_Bond_Acceptor_Count	1
86488	Non-hydrogen_Atom_Count	17
10773225	Rotatable_Bond_Count	1
5311217	Hydrogen_Bond_Donor_Count	1
65775	Hydrogen_Bond_Donor_Count	0
12869962	Total_Formal_Charge	0
53749742	Defined_Atom_Stereo_Count	0
445794	Molecular_Weight	559.32
15228410	Hydrogen_Bond_Donor_Count	0
60464	Undefined_Atom_Stereo_Count	0
30590	XLogP3-AA	4.8
134715568	Exact_Mass	570.34512703
157903531	Structure_Complexity	88.1
129696925	Mono_Isotopic_Weight	685.38356257
741	Total_Formal_Charge	0
5280460	Molecular_Weight	192.17
13616	Undefined_Bond_Stereo_Count	0
22083393	Structure_Complexity	129
4633677	Non-hydrogen_Atom_Count	17
6514	Tautomer_Count	1
231880	Total_Formal_Charge	0
4136521	Total_Formal_Charge	0
409409	Hydrogen_Bond_Acceptor_Count	2
165906266	Molecular_Weight	98.15
87478594	TPSA	49.3
3037914	Non-hydrogen_Atom_Count	28
21827	XLogP3-AA	1
57782	Rotatable_Bond_Count	5
1548971	Non-hydrogen_Atom_Count	30
1179	Structure_Complexity	1630
21322859	Undefined_Atom_Stereo_Count	0
12289998	Isotope_Atom_Count	0
740	Non-hydrogen_Atom_Count	16
137349890	Hydrogen_Bond_Acceptor_Count	4
139771583	Structure_Complexity	118
143552208	Molecular_Weight	124.16
136837	Undefined_Bond_Stereo_Count	0
20517177	Defined_Bond_Stereo_Count	0
12089	TPSA	75.4
77690	Isotope_Atom_Count	0
10460941	Rotatable_Bond_Count	12
10175126	Undefined_Bond_Stereo_Count	0
55840	Defined_Bond_Stereo_Count	0
77456	TPSA	86
3510	Structure_Complexity	442
64685	XLogP3	2.7
509554	Non-hydrogen_Atom_Count	27
13776	Mono_Isotopic_Weight	516.23277935
11402147	Rotatable_Bond_Count	5
129864962	Mono_Isotopic_Weight	322.11398438
4915	Structure_Complexity	210
9653	Molecular_Weight	276.4
228	Non-hydrogen_Atom_Count	27
31255	Undefined_Atom_Stereo_Count	0
67434749	Mono_Isotopic_Weight	100.100048391
60196284	Undefined_Atom_Stereo_Count	0
45484175	Hydrogen_Bond_Donor_Count	3
44155874	Hydrogen_Bond_Acceptor_Count	5
74680	Defined_Atom_Stereo_Count	0
88533	Defined_Atom_Stereo_Count	0
14481877	Defined_Bond_Stereo_Count	0
87476740	Rotatable_Bond_Count	1
58783001	Mono_Isotopic_Weight	85.052763847
33728341	Covalent_Unit_Count	1
527633	XLogP3	1
70250504	Mono_Isotopic_Weight	544.24744090
156617951	Mono_Isotopic_Weight	342.11621151
79003661	Hydrogen_Bond_Donor_Count	1
441975	Undefined_Bond_Stereo_Count	0
56769	Tautomer_Count	1
22889103	Non-hydrogen_Atom_Count	7
23080859	Hydrogen_Bond_Acceptor_Count	2
361733	Total_Formal_Charge	0
6604796	Hydrogen_Bond_Acceptor_Count	4
159661	Tautomer_Count	1
3082754	Defined_Atom_Stereo_Count	1
17847	Defined_Atom_Stereo_Count	0
129808802	TPSA	26
54595803	Defined_Bond_Stereo_Count	0
17117	Undefined_Atom_Stereo_Count	0
8743	Covalent_Unit_Count	1
125395	Molecular_Weight	246.26
86183	Total_Formal_Charge	0
74229	Molecular_Weight	193.24
122173994	Molecular_Weight	287.4
18469536	TPSA	177
60196382	Hydrogen_Bond_Donor_Count	0
9887884	Hydrogen_Bond_Acceptor_Count	5
9890250	Mono_Isotopic_Weight	455.1623268
60169	Rotatable_Bond_Count	29
16217852	Mono_Isotopic_Weight	125.047678466
9936	Exact_Mass	251.01539010
10734	Isotope_Atom_Count	0
22833326	Hydrogen_Bond_Donor_Count	0
656980	Total_Formal_Charge	0
416	Hydrogen_Bond_Donor_Count	4
3086618	Undefined_Atom_Stereo_Count	0
21681979	Molecular_Weight	114.10
101914	Exact_Mass	131.94250
11263727	Rotatable_Bond_Count	0
51432351	Covalent_Unit_Count	1
60878	Non-hydrogen_Atom_Count	35
68746916	Undefined_Bond_Stereo_Count	0
24180686	Total_Formal_Charge	0
158815	Molecular_Weight	165.23
50901	Hydrogen_Bond_Acceptor_Count	4
21405	Total_Formal_Charge	0
10214379	XLogP3-AA	0.4
14512	Molecular_Weight	112.09
443878	Mono_Isotopic_Weight	475.25700252
21713016	Structure_Complexity	70.1
6904	Structure_Complexity	147
47676	XLogP3-AA	3.5
446916	XLogP3-AA	2.9
73241	Structure_Complexity	171
162636	Structure_Complexity	153
908617	Undefined_Bond_Stereo_Count	0
25116186	Hydrogen_Bond_Donor_Count	3
101640759	Rotatable_Bond_Count	6
12492	Isotope_Atom_Count	0
34740	Tautomer_Count	1
12074440	Total_Formal_Charge	0
10023245	Covalent_Unit_Count	1
3015914	Isotope_Atom_Count	0
20275	Mono_Isotopic_Weight	254.05315
44413	Tautomer_Count	1
71890	XLogP3-AA	1.6
17691	Defined_Atom_Stereo_Count	0
5323927	Isotope_Atom_Count	0
24864721	Rotatable_Bond_Count	9
75828	Hydrogen_Bond_Acceptor_Count	1
43986	Hydrogen_Bond_Donor_Count	0
5480	Defined_Atom_Stereo_Count	0
122282	Mono_Isotopic_Weight	198.11167570
11908385	Exact_Mass	342.11621151
8104	Structure_Complexity	72.2
85145	Defined_Atom_Stereo_Count	0
6871	Exact_Mass	216.09977361
31218	Exact_Mass	426.37091007
231360	Structure_Complexity	81.8
8250	Rotatable_Bond_Count	6
636368	Molecular_Weight	484.5
11872	Molecular_Weight	198.13
55212037	Undefined_Bond_Stereo_Count	0
11430	Molecular_Weight	138.205
68156	Defined_Bond_Stereo_Count	0
133568445	Isotope_Atom_Count	0
2303	Undefined_Bond_Stereo_Count	0
155042170	Covalent_Unit_Count	1
14685	Defined_Bond_Stereo_Count	0
6165177	Hydrogen_Bond_Acceptor_Count	9
79323706	Undefined_Bond_Stereo_Count	0
373077	Hydrogen_Bond_Acceptor_Count	2
130055354	Undefined_Bond_Stereo_Count	0
57516744	Undefined_Atom_Stereo_Count	0
27932	Exact_Mass	100.063662883
5365909	Molecular_Weight	114.14
971337	Exact_Mass	337.0869564
154361546	Covalent_Unit_Count	1
36149	Covalent_Unit_Count	1
163677749	Hydrogen_Bond_Donor_Count	0
169371	Defined_Atom_Stereo_Count	1
125461340	Molecular_Weight	665.7
20516966	Defined_Bond_Stereo_Count	0
15920061	TPSA	38
12734620	XLogP3-AA	1.9
101616201	Covalent_Unit_Count	1
119432	Covalent_Unit_Count	1
20439427	Hydrogen_Bond_Donor_Count	1
2846928	Structure_Complexity	230
20745	Hydrogen_Bond_Acceptor_Count	1
103648	XLogP3-AA	3.3
5484131	Molecular_Weight	546.6
429016	Defined_Bond_Stereo_Count	0
24771824	Isotope_Atom_Count	0
9623	Isotope_Atom_Count	0
22818	Hydrogen_Bond_Donor_Count	1
70691395	Rotatable_Bond_Count	4
82400	Structure_Complexity	414
70969	Defined_Bond_Stereo_Count	0
6124212	Undefined_Atom_Stereo_Count	4
6503	Hydrogen_Bond_Donor_Count	4
101094784	TPSA	69.7
70608	Total_Formal_Charge	0
445127	Molecular_Weight	911.7
6992563	Exact_Mass	287.19573968
56929	Mono_Isotopic_Weight	546.42481153
67180	Molecular_Weight	73.09
38012	Undefined_Atom_Stereo_Count	0
15548	Undefined_Atom_Stereo_Count	1
636908	Covalent_Unit_Count	1
57370084	Undefined_Bond_Stereo_Count	0
24706	Molecular_Weight	608.8
447048	Hydrogen_Bond_Acceptor_Count	18
12500939	Undefined_Atom_Stereo_Count	2
267577	Undefined_Atom_Stereo_Count	0
16726631	Hydrogen_Bond_Acceptor_Count	0
8871	Defined_Bond_Stereo_Count	0
15398666	Total_Formal_Charge	0
89374436	Undefined_Atom_Stereo_Count	0
44342925	Total_Formal_Charge	0
5368821	Tautomer_Count	1
11029782	Defined_Bond_Stereo_Count	0
45086609	TPSA	73.1
20753138	Hydrogen_Bond_Acceptor_Count	0
89628790	Defined_Bond_Stereo_Count	0
7837	Defined_Atom_Stereo_Count	0
82711397	Rotatable_Bond_Count	1
54753	Covalent_Unit_Count	1
3260420	Hydrogen_Bond_Acceptor_Count	1
65834	Undefined_Atom_Stereo_Count	0
1100	Covalent_Unit_Count	1
71481106	Hydrogen_Bond_Donor_Count	2
40826	Undefined_Atom_Stereo_Count	1
54353190	Covalent_Unit_Count	1
23286	Undefined_Bond_Stereo_Count	0
23377189	Hydrogen_Bond_Acceptor_Count	0
11712071	Non-hydrogen_Atom_Count	32
134689013	Hydrogen_Bond_Acceptor_Count	3
72450871	XLogP3-AA	1.1
8674	Defined_Atom_Stereo_Count	0
68503813	Undefined_Bond_Stereo_Count	0
66130	Defined_Bond_Stereo_Count	0
123979022	Covalent_Unit_Count	1
129760006	Molecular_Weight	1930.4
123894108	Exact_Mass	101.084063974
7252	Hydrogen_Bond_Donor_Count	2
12358320	Hydrogen_Bond_Donor_Count	4
156588860	Hydrogen_Bond_Acceptor_Count	14
7469	Undefined_Bond_Stereo_Count	0
69332506	Rotatable_Bond_Count	0
94222	TPSA	52.3
441923	Isotope_Atom_Count	0
73891153	Covalent_Unit_Count	1
70684820	Molecular_Weight	524.0
5282450	Rotatable_Bond_Count	8
3507056	Hydrogen_Bond_Acceptor_Count	5
41596	Isotope_Atom_Count	0
643606	Undefined_Atom_Stereo_Count	0
139595131	Structure_Complexity	756
636908	Mono_Isotopic_Weight	338.06378202
86821	Undefined_Bond_Stereo_Count	0
9548602	Hydrogen_Bond_Acceptor_Count	6
557445	Non-hydrogen_Atom_Count	8
93093	Molecular_Weight	88.11
82711397	Undefined_Bond_Stereo_Count	0
10219	TPSA	52.2
7700	Structure_Complexity	186
66099	Tautomer_Count	10
14784415	Molecular_Weight	97.12
139062042	Defined_Bond_Stereo_Count	0
28951068	Mono_Isotopic_Weight	111.032028402
130153178	Structure_Complexity	126
118701016	Rotatable_Bond_Count	26
11787	Molecular_Weight	178.61
50943013	Isotope_Atom_Count	0
78323835	Hydrogen_Bond_Acceptor_Count	6
121630	Non-hydrogen_Atom_Count	7
44577843	Covalent_Unit_Count	1
39356	Isotope_Atom_Count	0
20200448	Defined_Bond_Stereo_Count	0
89317	Rotatable_Bond_Count	3
881	Undefined_Bond_Stereo_Count	0
95913783	Non-hydrogen_Atom_Count	7
18726560	Covalent_Unit_Count	1
70783	Hydrogen_Bond_Acceptor_Count	1
75552	Isotope_Atom_Count	0
3129049	Undefined_Bond_Stereo_Count	0
21869002	Rotatable_Bond_Count	2
5017	Total_Formal_Charge	0
69137	Isotope_Atom_Count	0
139085816	Covalent_Unit_Count	1
440723	Defined_Bond_Stereo_Count	0
54581775	Structure_Complexity	488
54382	Isotope_Atom_Count	0
30590	Undefined_Atom_Stereo_Count	0
2111	TPSA	88.6
141076555	Exact_Mass	99.068413911
656630	TPSA	288
23667629	Total_Formal_Charge	0
5069	Defined_Bond_Stereo_Count	0
581206	Undefined_Atom_Stereo_Count	0
11075477	Defined_Atom_Stereo_Count	0
82718176	Structure_Complexity	92.5
7422	Molecular_Weight	137.14
9915039	TPSA	68.2
21996040	TPSA	20.2
22234	Isotope_Atom_Count	0
73233	Defined_Bond_Stereo_Count	0
6537499	Rotatable_Bond_Count	2
398747	Defined_Atom_Stereo_Count	2
49621	Isotope_Atom_Count	0
129716995	Non-hydrogen_Atom_Count	26
30550	Undefined_Atom_Stereo_Count	4
10775424	Rotatable_Bond_Count	0
19017814	Rotatable_Bond_Count	2
18850	Undefined_Atom_Stereo_Count	0
140568	Covalent_Unit_Count	1
425400	Mono_Isotopic_Weight	530.39712482
135398654	Molecular_Weight	241.25
29921593	Non-hydrogen_Atom_Count	23
2572037	Hydrogen_Bond_Acceptor_Count	3
10971	Structure_Complexity	165
3664	Undefined_Bond_Stereo_Count	0
20674	Total_Formal_Charge	0
13399110	Undefined_Atom_Stereo_Count	0
54936	Covalent_Unit_Count	1
11957756	Undefined_Bond_Stereo_Count	0
18728	Undefined_Atom_Stereo_Count	4
4989215	Covalent_Unit_Count	1
71624343	Total_Formal_Charge	0
12452075	Hydrogen_Bond_Donor_Count	0
1437838	Undefined_Bond_Stereo_Count	0
6989253	Total_Formal_Charge	0
5769	TPSA	45.6
6419921	Rotatable_Bond_Count	3
20560	Tautomer_Count	2
53974092	TPSA	43.1
7571	Undefined_Atom_Stereo_Count	0
391	Non-hydrogen_Atom_Count	21
23670774	Molecular_Weight	415.5
16136245	Isotope_Atom_Count	0
87527569	Hydrogen_Bond_Donor_Count	3
10591878	TPSA	49.8
7280	Hydrogen_Bond_Acceptor_Count	0
12290	Mono_Isotopic_Weight	95.037113783
1097	TPSA	347
2955	Total_Formal_Charge	0
70687384	Undefined_Bond_Stereo_Count	0
636750	Undefined_Atom_Stereo_Count	0
46173365	Mono_Isotopic_Weight	552.03040840
2763078	Rotatable_Bond_Count	1
6918496	TPSA	38.3
447021	Hydrogen_Bond_Acceptor_Count	7
58645437	Covalent_Unit_Count	1
13888	Covalent_Unit_Count	1
71675	Mono_Isotopic_Weight	259.1127773
31425	Structure_Complexity	744
12544	Defined_Atom_Stereo_Count	10
1960	Isotope_Atom_Count	0
60613	Covalent_Unit_Count	1
6918925	Undefined_Bond_Stereo_Count	0
6433396	Molecular_Weight	251.15
14207546	Hydrogen_Bond_Donor_Count	1
9930121	Defined_Bond_Stereo_Count	0
263077	TPSA	25.3
564558	Hydrogen_Bond_Acceptor_Count	2
568	Hydrogen_Bond_Donor_Count	0
4797519	Undefined_Atom_Stereo_Count	1
99306	XLogP3-AA	6.1
5394	Non-hydrogen_Atom_Count	14
11476460	Mono_Isotopic_Weight	450.08529741
129905275	Hydrogen_Bond_Donor_Count	4
19648	TPSA	922
114644	Isotope_Atom_Count	0
2186	Undefined_Atom_Stereo_Count	0
69245	Rotatable_Bond_Count	0
40537366	Rotatable_Bond_Count	6
163156	Hydrogen_Bond_Donor_Count	3
920	TPSA	130
118975693	Rotatable_Bond_Count	1
9881360	Isotope_Atom_Count	0
2763078	Undefined_Bond_Stereo_Count	0
5362620	Hydrogen_Bond_Acceptor_Count	1
164116	Undefined_Atom_Stereo_Count	1
1216	Hydrogen_Bond_Acceptor_Count	6
138199	Structure_Complexity	67.9
6918509	XLogP3-AA	3.1
22221737	Covalent_Unit_Count	2
9536	Undefined_Atom_Stereo_Count	0
6473973	Undefined_Atom_Stereo_Count	2
18955656	Undefined_Atom_Stereo_Count	0
71777706	Rotatable_Bond_Count	6
626366	Isotope_Atom_Count	0
1505	Non-hydrogen_Atom_Count	19
129012189	Hydrogen_Bond_Donor_Count	4
16051586	Non-hydrogen_Atom_Count	29
54607635	Non-hydrogen_Atom_Count	32
226108	Mono_Isotopic_Weight	116.058577502
16102855	Non-hydrogen_Atom_Count	35
12302651	Total_Formal_Charge	0
3330	Mono_Isotopic_Weight	254.04154528
71719928	Molecular_Weight	525.6
65590	Hydrogen_Bond_Donor_Count	0
5352133	Molecular_Weight	373.27
36573	Hydrogen_Bond_Acceptor_Count	4
76959035	Hydrogen_Bond_Acceptor_Count	3
140523	Exact_Mass	125.058911855
56036	Hydrogen_Bond_Acceptor_Count	4
13070698	Structure_Complexity	53.6
304265	Total_Formal_Charge	0
54572303	Exact_Mass	112.03851076
20387237	Undefined_Atom_Stereo_Count	2
13600041	XLogP3-AA	1.6
94180	XLogP3-AA	2
135450591	Mono_Isotopic_Weight	473.16589610
60966	Rotatable_Bond_Count	0
33793	TPSA	40.5
126	TPSA	37.3
6141	Defined_Bond_Stereo_Count	0
71396956	Covalent_Unit_Count	1
12275055	Rotatable_Bond_Count	0
6992111	Hydrogen_Bond_Donor_Count	1
16639	Mono_Isotopic_Weight	232.121177757
656013	Undefined_Atom_Stereo_Count	0
81762	Isotope_Atom_Count	0
91439	Total_Formal_Charge	0
44946	Hydrogen_Bond_Acceptor_Count	2
5270576	Molecular_Weight	260.22
446570	Hydrogen_Bond_Donor_Count	3
188914	Structure_Complexity	212
57871279	Covalent_Unit_Count	1
72304	Total_Formal_Charge	0
20255128	Hydrogen_Bond_Acceptor_Count	1
82418990	Total_Formal_Charge	0
3086685	Total_Formal_Charge	0
921134	XLogP3-AA	4.9
9895035	Defined_Bond_Stereo_Count	0
11865437	Mono_Isotopic_Weight	342.11621151
443831	Exact_Mass	513.16349606
71141	TPSA	279
6992032	Undefined_Atom_Stereo_Count	0
77	Structure_Complexity	198
63958	Structure_Complexity	567
10465	Undefined_Atom_Stereo_Count	0
42608159	Undefined_Atom_Stereo_Count	1
6603775	Total_Formal_Charge	0
18126	Non-hydrogen_Atom_Count	9
53870634	Total_Formal_Charge	0
88276	Structure_Complexity	169
21445949	Hydrogen_Bond_Acceptor_Count	2
4866625	Defined_Bond_Stereo_Count	0
96301	Structure_Complexity	401
53692307	Hydrogen_Bond_Donor_Count	0
129791	Isotope_Atom_Count	0
3073763	Structure_Complexity	221
16759596	Isotope_Atom_Count	0
9895035	Mono_Isotopic_Weight	604.34471258
25114553	Non-hydrogen_Atom_Count	36
43598	Mono_Isotopic_Weight	226.10275099
160312	Total_Formal_Charge	0
841083	Defined_Atom_Stereo_Count	0
3591	Tautomer_Count	8
243400	TPSA	26.3
54548956	Molecular_Weight	112.13
581383	TPSA	18.5
36688137	Hydrogen_Bond_Acceptor_Count	2
143682218	Exact_Mass	95.073499291
123875607	Isotope_Atom_Count	0
50925404	XLogP3-AA	3.7
12200971	XLogP3-AA	0.3
138107840	Structure_Complexity	817
90894106	Undefined_Atom_Stereo_Count	0
5281888	Structure_Complexity	693
67210	Exact_Mass	298.02258592
524653	Mono_Isotopic_Weight	98.109550447
21020205	Defined_Atom_Stereo_Count	0
5288595	Hydrogen_Bond_Donor_Count	2
159027	Hydrogen_Bond_Acceptor_Count	1
25273208	Hydrogen_Bond_Acceptor_Count	3
12673086	Defined_Atom_Stereo_Count	0
73277	XLogP3	0.7
374	Exact_Mass	202.01135253
73425380	Exact_Mass	684.01028135
6093241	TPSA	81.3
47670	Hydrogen_Bond_Donor_Count	1
78960	Total_Formal_Charge	0
61918	XLogP3-AA	0.6
22134406	Mono_Isotopic_Weight	113.047678466
4062	Mono_Isotopic_Weight	246.173213330
69833	TPSA	20.2
69253	Defined_Bond_Stereo_Count	0
129642209	Covalent_Unit_Count	2
3045400	XLogP3-AA	3
15074	Molecular_Weight	122.12
53940807	Hydrogen_Bond_Acceptor_Count	0
75714	Exact_Mass	115.063328530
443003	Rotatable_Bond_Count	1
154461366	Exact_Mass	107.037113783
75531	Defined_Atom_Stereo_Count	0
124584674	Covalent_Unit_Count	1
103565751	Covalent_Unit_Count	1
3804189	Undefined_Bond_Stereo_Count	0
29215	Structure_Complexity	316
854	Exact_Mass	150.05282342
4557	Covalent_Unit_Count	1
18527351	Undefined_Bond_Stereo_Count	0
164512	Total_Formal_Charge	0
6426	Hydrogen_Bond_Acceptor_Count	2
45039617	Exact_Mass	709.2706908
6538991	Hydrogen_Bond_Acceptor_Count	7
9926586	Rotatable_Bond_Count	2
24309	Hydrogen_Bond_Donor_Count	1
640997	Isotope_Atom_Count	0
348554	Rotatable_Bond_Count	0
22320095	Isotope_Atom_Count	0
9929430	Defined_Bond_Stereo_Count	0
92366	Defined_Atom_Stereo_Count	1
123832392	Hydrogen_Bond_Donor_Count	0
53357478	Covalent_Unit_Count	1
57351929	Total_Formal_Charge	0
144606028	Rotatable_Bond_Count	0
61664	Molecular_Weight	116.18
11303	Exact_Mass	290.224580195
830713	TPSA	63.8
24892761	Rotatable_Bond_Count	7
3109	Tautomer_Count	1
20697439	Hydrogen_Bond_Acceptor_Count	2
25271781	Defined_Atom_Stereo_Count	0
49769064	Structure_Complexity	1340
5702044	Undefined_Atom_Stereo_Count	6
136459	Undefined_Bond_Stereo_Count	0
118193	Molecular_Weight	128.21
7707	Total_Formal_Charge	0
97616695	XLogP3-AA	1.5
7118	Defined_Atom_Stereo_Count	0
135409548	Exact_Mass	327.09675391
46174097	XLogP3	0.6
84661	Hydrogen_Bond_Donor_Count	0
154067559	Mono_Isotopic_Weight	84.021129366
94811	Non-hydrogen_Atom_Count	6
80201	Mono_Isotopic_Weight	210.08920892
447202	Defined_Atom_Stereo_Count	7
123870986	Non-hydrogen_Atom_Count	7
25429	Undefined_Bond_Stereo_Count	0
5479539	Rotatable_Bond_Count	6
98614	Rotatable_Bond_Count	0
5288018	TPSA	135
57782	Hydrogen_Bond_Acceptor_Count	4
10339178	Defined_Atom_Stereo_Count	0
20378092	Total_Formal_Charge	0
600269	Undefined_Atom_Stereo_Count	0
61007	Undefined_Atom_Stereo_Count	0
3965	Defined_Atom_Stereo_Count	0
14440271	Rotatable_Bond_Count	2
7210	Total_Formal_Charge	0
4174	Defined_Atom_Stereo_Count	0
18175	Defined_Atom_Stereo_Count	0
453	Undefined_Atom_Stereo_Count	4
1219	Exact_Mass	247.193614421
11993	Tautomer_Count	1
2977	Mono_Isotopic_Weight	314.224580195
1805	Tautomer_Count	3
123776311	Structure_Complexity	150
6535	Undefined_Atom_Stereo_Count	0
44349928	Defined_Atom_Stereo_Count	0
197059	Mono_Isotopic_Weight	346.1811912
7343	Structure_Complexity	105
18314506	Undefined_Bond_Stereo_Count	0
135392460	Rotatable_Bond_Count	0
5311333	TPSA	241
427860	Isotope_Atom_Count	0
134694738	Defined_Atom_Stereo_Count	2
43834572	Isotope_Atom_Count	0
7748	Non-hydrogen_Atom_Count	7
71432895	Hydrogen_Bond_Acceptor_Count	4
5486971	Defined_Bond_Stereo_Count	0
267493	Hydrogen_Bond_Donor_Count	1
82148	Molecular_Weight	243.30
5829	Covalent_Unit_Count	1
10776235	Exact_Mass	236.1331784
35803	Defined_Atom_Stereo_Count	0
36218	Total_Formal_Charge	0
688297	Molecular_Weight	217.02
3393610	Undefined_Bond_Stereo_Count	0
9952193	Rotatable_Bond_Count	6
132777208	Structure_Complexity	382
15189029	Covalent_Unit_Count	1
11861720	Defined_Atom_Stereo_Count	4
123790252	Undefined_Bond_Stereo_Count	0
10066	Molecular_Weight	364.9
82511	Rotatable_Bond_Count	9
12969	Exact_Mass	84.093900383
162117	Total_Formal_Charge	0
91065505	Hydrogen_Bond_Acceptor_Count	1
4752	Rotatable_Bond_Count	4
130642949	Total_Formal_Charge	0
135413528	Undefined_Atom_Stereo_Count	0
14923	Hydrogen_Bond_Donor_Count	2
14813	Non-hydrogen_Atom_Count	7
145454	Structure_Complexity	381
69536	Molecular_Weight	395.07
69293	Defined_Bond_Stereo_Count	0
45934355	Structure_Complexity	457
2119	Molecular_Weight	249.35
9403	Isotope_Atom_Count	0
14923671	Structure_Complexity	94.6
58938020	Structure_Complexity	63.1
134692450	TPSA	162
13639661	Hydrogen_Bond_Donor_Count	1
25164000	Covalent_Unit_Count	1
10930	TPSA	43.1
38012	Non-hydrogen_Atom_Count	17
1017	Covalent_Unit_Count	1
7066	Mono_Isotopic_Weight	261.12996879
71462100	Total_Formal_Charge	0
12695793	Defined_Atom_Stereo_Count	0
86278404	Molecular_Weight	180.16
1050	Covalent_Unit_Count	1
162681560	Non-hydrogen_Atom_Count	8
328	Isotope_Atom_Count	0
13081559	Hydrogen_Bond_Acceptor_Count	2
12291486	XLogP3-AA	2.2
11477651	Undefined_Atom_Stereo_Count	0
59966656	Non-hydrogen_Atom_Count	30
837924	XLogP3-AA	4.2
57572416	Undefined_Bond_Stereo_Count	0
82052	Mono_Isotopic_Weight	153.9588348
3009355	Undefined_Bond_Stereo_Count	0
448042	Mono_Isotopic_Weight	247.168462302
25213	Defined_Atom_Stereo_Count	0
21625894	Non-hydrogen_Atom_Count	59
3959	Hydrogen_Bond_Acceptor_Count	4
7372	Hydrogen_Bond_Acceptor_Count	0
35935	Mono_Isotopic_Weight	251.0713064
10444413	Covalent_Unit_Count	1
299369	Hydrogen_Bond_Donor_Count	1
23565	Molecular_Weight	403.5
6271688	Non-hydrogen_Atom_Count	36
6293	Covalent_Unit_Count	1
10076625	XLogP3-AA	4.3
20253	Undefined_Atom_Stereo_Count	1
26388	Non-hydrogen_Atom_Count	30
139902903	Undefined_Bond_Stereo_Count	0
21123938	Rotatable_Bond_Count	2
6858209	Molecular_Weight	770.5
12959090	Molecular_Weight	85.10
27531	Total_Formal_Charge	0
25211988	Rotatable_Bond_Count	4
5282455	Rotatable_Bond_Count	18
19041912	Total_Formal_Charge	0
19820834	Rotatable_Bond_Count	1
106	Non-hydrogen_Atom_Count	11
10310138	Total_Formal_Charge	0
17356	TPSA	50.6
15778463	Covalent_Unit_Count	1
2723610	Mono_Isotopic_Weight	342.11621151
74087	Non-hydrogen_Atom_Count	6
133611945	Defined_Bond_Stereo_Count	1
6277	Undefined_Bond_Stereo_Count	0
90248267	Rotatable_Bond_Count	3
749560	Non-hydrogen_Atom_Count	21
56238	Defined_Atom_Stereo_Count	0
15009279	Total_Formal_Charge	0
7272	Total_Formal_Charge	0
23891	Hydrogen_Bond_Acceptor_Count	2
4461	TPSA	211
25244017	Defined_Bond_Stereo_Count	0
52038	Undefined_Bond_Stereo_Count	0
23982	Rotatable_Bond_Count	0
149790	Hydrogen_Bond_Donor_Count	2
4577573	Hydrogen_Bond_Acceptor_Count	5
140710	Exact_Mass	116.083729621
98017	Total_Formal_Charge	0
14081616	Covalent_Unit_Count	1
12472552	Total_Formal_Charge	0
25273215	Total_Formal_Charge	1
90818	Hydrogen_Bond_Acceptor_Count	1
56955286	TPSA	58.7
11712649	Total_Formal_Charge	0
74229	Defined_Bond_Stereo_Count	0
7959	Defined_Bond_Stereo_Count	0
44828796	Undefined_Bond_Stereo_Count	0
398747	TPSA	182
6438028	Non-hydrogen_Atom_Count	28
131801164	Mono_Isotopic_Weight	453.18346091
23681217	Exact_Mass	206.06673650
135565843	Exact_Mass	315.0556736
1473603	Covalent_Unit_Count	1
10038849	Undefined_Bond_Stereo_Count	0
141295139	XLogP3-AA	0.7
21083976	Exact_Mass	120.043596145
88423	Structure_Complexity	154
10498206	Isotope_Atom_Count	0
9737	Undefined_Atom_Stereo_Count	0
55286809	Non-hydrogen_Atom_Count	8
54092188	Undefined_Atom_Stereo_Count	0
144813235	Undefined_Bond_Stereo_Count	0
24726	TPSA	0
21595393	Exact_Mass	337.227988553
5372194	Rotatable_Bond_Count	2
58265178	Isotope_Atom_Count	0
87409	Defined_Bond_Stereo_Count	0
90614	Covalent_Unit_Count	1
13499611	Molecular_Weight	114.19
5742590	Total_Formal_Charge	0
712078	Non-hydrogen_Atom_Count	22
5324289	Molecular_Weight	311.4
66986	Undefined_Atom_Stereo_Count	0
123519331	Hydrogen_Bond_Donor_Count	1
132472265	Total_Formal_Charge	0
3034393	Covalent_Unit_Count	1
9351	TPSA	63.8
5284607	Rotatable_Bond_Count	14
10154007	Structure_Complexity	64
101100163	Exact_Mass	235.099714038
21583979	Total_Formal_Charge	1
17963315	XLogP3-AA	4.7
16407	Covalent_Unit_Count	1
23378249	TPSA	47.9
166572	XLogP3	2.1
36690486	Total_Formal_Charge	0
619250	Non-hydrogen_Atom_Count	19
36	Structure_Complexity	186
509864	Structure_Complexity	554
521156	Isotope_Atom_Count	0
52948810	Molecular_Weight	362.8
11655595	XLogP3	0
11151622	Mono_Isotopic_Weight	329.12632271
11051814	Structure_Complexity	116
94233	Tautomer_Count	41
52129	Exact_Mass	411.1367991
87592747	Mono_Isotopic_Weight	113.084063974
58233	Undefined_Atom_Stereo_Count	2
18183443	Undefined_Atom_Stereo_Count	1
12333	Hydrogen_Bond_Donor_Count	0
6436083	Mono_Isotopic_Weight	538.18450
9800339	Undefined_Atom_Stereo_Count	1
351917	Mono_Isotopic_Weight	198.0018471
10482544	XLogP3-AA	2.2
11354711	Defined_Atom_Stereo_Count	13
139087380	Undefined_Bond_Stereo_Count	0
88314418	Rotatable_Bond_Count	8
13192	Structure_Complexity	169
14066	Structure_Complexity	59.1
12268623	Undefined_Atom_Stereo_Count	0
2138	Defined_Atom_Stereo_Count	0
66684	Structure_Complexity	383
8800	Defined_Bond_Stereo_Count	0
90478690	Hydrogen_Bond_Donor_Count	10
258383	Exact_Mass	95.073499291
565900	Tautomer_Count	3
3045402	Rotatable_Bond_Count	0
15229227	Molecular_Weight	231.68
22238581	Undefined_Bond_Stereo_Count	0
164685	Hydrogen_Bond_Acceptor_Count	10
246571	Exact_Mass	196.146329876
67172	Hydrogen_Bond_Acceptor_Count	5
171808	Defined_Atom_Stereo_Count	12
37839	Non-hydrogen_Atom_Count	17
53881088	Non-hydrogen_Atom_Count	8
73759759	Isotope_Atom_Count	0
92444	Mono_Isotopic_Weight	335.860066
11539562	Mono_Isotopic_Weight	445.11618739
21365956	Mono_Isotopic_Weight	281.12766012
7301	Hydrogen_Bond_Donor_Count	0
119095542	Hydrogen_Bond_Donor_Count	2
1125887	Undefined_Atom_Stereo_Count	0
20331520	Hydrogen_Bond_Donor_Count	1
111878	TPSA	35.2
71698	Undefined_Bond_Stereo_Count	0
4667	Rotatable_Bond_Count	6
10967	Defined_Atom_Stereo_Count	0
94508	Defined_Atom_Stereo_Count	0
101630689	Rotatable_Bond_Count	6
139348436	Isotope_Atom_Count	0
20137	Hydrogen_Bond_Acceptor_Count	2
31388	Mono_Isotopic_Weight	204.9964274
135398558	Undefined_Bond_Stereo_Count	0
135438608	Defined_Atom_Stereo_Count	1
51381	Exact_Mass	152.083729621
17841655	Rotatable_Bond_Count	0
68116	Structure_Complexity	202
21580808	Mono_Isotopic_Weight	273.12728871
5311381	Exact_Mass	443.23212518
30667	Hydrogen_Bond_Acceptor_Count	2
11520759	Hydrogen_Bond_Acceptor_Count	12
724183	Molecular_Weight	294.3
16757820	Non-hydrogen_Atom_Count	26
20172	Rotatable_Bond_Count	2
903738	Isotope_Atom_Count	0
162990680	Isotope_Atom_Count	0
67075765	Hydrogen_Bond_Donor_Count	0
55289472	Molecular_Weight	100.12
447339	Defined_Atom_Stereo_Count	0
143847825	Exact_Mass	112.027277375
53757199	Molecular_Weight	100.12
20494989	Defined_Bond_Stereo_Count	0
129738164	Structure_Complexity	684
58817179	XLogP3-AA	2.9
10975422	Undefined_Bond_Stereo_Count	0
285118	Hydrogen_Bond_Donor_Count	0
12452042	Hydrogen_Bond_Acceptor_Count	1
91664	Molecular_Weight	301.13
3318739	Rotatable_Bond_Count	17
61346	Isotope_Atom_Count	0
101602193	Molecular_Weight	666.9
821	XLogP3-AA	21.6
543047	Exact_Mass	114.068079557
12309465	Structure_Complexity	470
10460941	Molecular_Weight	584.7
460612	TPSA	66.6
67247971	Isotope_Atom_Count	0
14906717	Mono_Isotopic_Weight	116.083729621
5485201	Rotatable_Bond_Count	2
87315833	Undefined_Atom_Stereo_Count	0
10083	Structure_Complexity	274
14660779	Defined_Bond_Stereo_Count	0
72323	Mono_Isotopic_Weight	338.13923312
6435207	Isotope_Atom_Count	0
941361	Total_Formal_Charge	0
688938	Hydrogen_Bond_Donor_Count	0
40469136	Isotope_Atom_Count	0
11048	Defined_Bond_Stereo_Count	0
90956916	Hydrogen_Bond_Donor_Count	0
638034	Structure_Complexity	596
23040	Total_Formal_Charge	0
128913	Covalent_Unit_Count	1
92649	Structure_Complexity	271
163050682	Hydrogen_Bond_Donor_Count	1
5281025	Molecular_Weight	883.1
12787246	Isotope_Atom_Count	0
41019	Isotope_Atom_Count	0
135550179	Undefined_Atom_Stereo_Count	0
13249050	Defined_Atom_Stereo_Count	0
140048	Exact_Mass	120.02450067
18376592	Defined_Atom_Stereo_Count	0
27553	Covalent_Unit_Count	1
53481477	Mono_Isotopic_Weight	350.20932405
129848458	Structure_Complexity	525
3037082	XLogP3	3.1
16129703	Molecular_Weight	6963
92154	Non-hydrogen_Atom_Count	14
45480632	Undefined_Atom_Stereo_Count	0
23649154	Covalent_Unit_Count	1
91333	TPSA	60.8
126843096	XLogP3-AA	1
69452237	Isotope_Atom_Count	0
44134719	Hydrogen_Bond_Acceptor_Count	8
5195	Molecular_Weight	187.28
10313102	Undefined_Bond_Stereo_Count	0
11524	TPSA	20.2
213145	XLogP3-AA	0.6
15208263	Structure_Complexity	155
138113415	Hydrogen_Bond_Acceptor_Count	12
41743	Non-hydrogen_Atom_Count	18
45008	Isotope_Atom_Count	0
117717938	Structure_Complexity	382
10887868	Hydrogen_Bond_Acceptor_Count	2
42174	Undefined_Atom_Stereo_Count	1
3926	Defined_Atom_Stereo_Count	0
37632	TPSA	46.3
12271346	Non-hydrogen_Atom_Count	8
56841872	Mono_Isotopic_Weight	392.19990218
67636	Undefined_Atom_Stereo_Count	0
54757209	Exact_Mass	508.1699750
131850547	Defined_Atom_Stereo_Count	0
6471	Isotope_Atom_Count	0
23688359	TPSA	197
6971070	Undefined_Bond_Stereo_Count	0
12500872	Hydrogen_Bond_Acceptor_Count	1
25162926	Defined_Bond_Stereo_Count	0
2331	XLogP3	0.6
61474	Defined_Atom_Stereo_Count	0
44201342	Rotatable_Bond_Count	187
20231751	Mono_Isotopic_Weight	160.9560951
135516356	Hydrogen_Bond_Acceptor_Count	6
6710769	Non-hydrogen_Atom_Count	29
11839	Hydrogen_Bond_Acceptor_Count	1
375912	Defined_Bond_Stereo_Count	0
11643926	Defined_Atom_Stereo_Count	0
19601345	Mono_Isotopic_Weight	87.068413911
24752885	Structure_Complexity	311
344644	Isotope_Atom_Count	0
6418719	Hydrogen_Bond_Acceptor_Count	10
20320770	Hydrogen_Bond_Donor_Count	0
12980	Rotatable_Bond_Count	2
6530	Defined_Atom_Stereo_Count	0
9890250	Molecular_Weight	455.9
101254310	Rotatable_Bond_Count	1
5362858	Covalent_Unit_Count	1
71905	Non-hydrogen_Atom_Count	19
14086017	Defined_Atom_Stereo_Count	0
24868263	Mono_Isotopic_Weight	351.21714909
9842616	Undefined_Atom_Stereo_Count	2
131320	Covalent_Unit_Count	1
54759	Isotope_Atom_Count	0
135498233	Defined_Atom_Stereo_Count	0
63002	Molecular_Weight	538.1
23899	Hydrogen_Bond_Acceptor_Count	7
154058	Covalent_Unit_Count	2
15457	Hydrogen_Bond_Donor_Count	0
5284537	Hydrogen_Bond_Acceptor_Count	3
46853632	Molecular_Weight	451.5
30249	XLogP3-AA	4.2
441467	Molecular_Weight	261.27
12425338	Molecular_Weight	114.19
85864362	Rotatable_Bond_Count	1
71377454	Rotatable_Bond_Count	1
3085416	Undefined_Bond_Stereo_Count	3
517106	Molecular_Weight	236.05
19979685	Non-hydrogen_Atom_Count	8
20980871	Defined_Bond_Stereo_Count	0
49791	Hydrogen_Bond_Donor_Count	3
22344	Mono_Isotopic_Weight	219.847482
18783247	Mono_Isotopic_Weight	150.042927438
84363	Mono_Isotopic_Weight	350.0855767
812042	Non-hydrogen_Atom_Count	26
11426929	Defined_Atom_Stereo_Count	0
71323382	Mono_Isotopic_Weight	77.026549100
85695	Exact_Mass	211.06920175
91809622	Rotatable_Bond_Count	10
57547	Covalent_Unit_Count	1
99327	Tautomer_Count	4
222199	Covalent_Unit_Count	1
53846435	Non-hydrogen_Atom_Count	30
22181555	Defined_Atom_Stereo_Count	0
3640	Hydrogen_Bond_Donor_Count	3
56848	XLogP3-AA	4.2
156592059	Covalent_Unit_Count	2
53627566	Structure_Complexity	29.8
44123551	Isotope_Atom_Count	0
20100130	Isotope_Atom_Count	0
54758035	Exact_Mass	490.20386201
53355697	Undefined_Atom_Stereo_Count	1
444795	Covalent_Unit_Count	1
46196517	Defined_Bond_Stereo_Count	0
890070	Rotatable_Bond_Count	3
3082460	Tautomer_Count	21
11332430	Structure_Complexity	132
31253	Rotatable_Bond_Count	4
7323	Mono_Isotopic_Weight	254.9159841
77022	TPSA	28.7
2724032	Hydrogen_Bond_Donor_Count	1
446157	Hydrogen_Bond_Donor_Count	3
5078130	Defined_Atom_Stereo_Count	0
69253	Structure_Complexity	133
11949689	Structure_Complexity	538
148089453	Covalent_Unit_Count	1
70355	Undefined_Atom_Stereo_Count	0
69885	Covalent_Unit_Count	1
69425	Molecular_Weight	250.5
53077	TPSA	23.5
59283	Undefined_Atom_Stereo_Count	0
123642549	Undefined_Atom_Stereo_Count	0
93843	Undefined_Bond_Stereo_Count	0
11115	Molecular_Weight	236.31
12768404	Defined_Bond_Stereo_Count	0
62787	Rotatable_Bond_Count	4
57328467	Covalent_Unit_Count	1
182951	Non-hydrogen_Atom_Count	26
415	Mono_Isotopic_Weight	192.089877630
22132384	Undefined_Bond_Stereo_Count	0
392622	Non-hydrogen_Atom_Count	50
20349001	Covalent_Unit_Count	1
11440492	Structure_Complexity	441
95837	Defined_Atom_Stereo_Count	0
572516	TPSA	25.8
10125445	Undefined_Bond_Stereo_Count	0
11027	Total_Formal_Charge	0
1792	TPSA	66
54418364	Total_Formal_Charge	0
1525	Hydrogen_Bond_Acceptor_Count	11
91820142	Molecular_Weight	665.7
71191	Isotope_Atom_Count	0
12540922	Rotatable_Bond_Count	0
3425	XLogP3-AA	2.2
81459	Rotatable_Bond_Count	1
42790	Covalent_Unit_Count	3
438424	Structure_Complexity	571
23695905	Exact_Mass	243.08713759
19027815	Covalent_Unit_Count	1
91981561	Hydrogen_Bond_Acceptor_Count	5
69677	Rotatable_Bond_Count	0
256019	Mono_Isotopic_Weight	218.04129354
281888	Tautomer_Count	1
25522	Exact_Mass	324.183778013
10044423	Mono_Isotopic_Weight	366.05554326
7308	Hydrogen_Bond_Acceptor_Count	3
64184	Defined_Atom_Stereo_Count	0
5466139	Covalent_Unit_Count	1
529287	Defined_Bond_Stereo_Count	0
6441082	Undefined_Atom_Stereo_Count	0
8099	Non-hydrogen_Atom_Count	16
91239905	Rotatable_Bond_Count	0
139078414	Isotope_Atom_Count	0
887798	Total_Formal_Charge	0
24635	Hydrogen_Bond_Donor_Count	0
123630	Hydrogen_Bond_Donor_Count	1
9361	TPSA	194
22034820	Mono_Isotopic_Weight	111.032028402
41428	Covalent_Unit_Count	1
10686	Exact_Mass	120.093900383
61867	Molecular_Weight	256.17
7004913	TPSA	26
598696	Exact_Mass	338.0822054
57939635	Defined_Bond_Stereo_Count	0
53762932	Defined_Bond_Stereo_Count	0
22563961	Covalent_Unit_Count	1
12965	Defined_Bond_Stereo_Count	0
125037258	Hydrogen_Bond_Donor_Count	8
1549107	Structure_Complexity	265
68636556	Covalent_Unit_Count	1
20823772	Undefined_Atom_Stereo_Count	0
137430	Total_Formal_Charge	0
12367	Tautomer_Count	1
3080926	Exact_Mass	186.079312947
22731481	Rotatable_Bond_Count	1
133741	Isotope_Atom_Count	0
77813014	Non-hydrogen_Atom_Count	8
44291156	Defined_Atom_Stereo_Count	15
71072118	Undefined_Atom_Stereo_Count	0
13694931	Total_Formal_Charge	0
705978	Isotope_Atom_Count	0
18728219	TPSA	38.4
64966	Undefined_Bond_Stereo_Count	0
18392	Mono_Isotopic_Weight	130.062994177
10761	Rotatable_Bond_Count	6
969152	Undefined_Atom_Stereo_Count	0
9941379	Covalent_Unit_Count	1
27145	Undefined_Atom_Stereo_Count	0
556487	Defined_Atom_Stereo_Count	0
167845	Defined_Bond_Stereo_Count	0
100641	Total_Formal_Charge	0
71167	Defined_Atom_Stereo_Count	0
90927	Defined_Bond_Stereo_Count	0
19518	Hydrogen_Bond_Donor_Count	1
13765439	Undefined_Bond_Stereo_Count	0
5484	Mono_Isotopic_Weight	275.08024189
11509958	Non-hydrogen_Atom_Count	25
2752648	Hydrogen_Bond_Acceptor_Count	1
83086	Mono_Isotopic_Weight	75.032028402
24360	Hydrogen_Bond_Acceptor_Count	5
13456556	Defined_Atom_Stereo_Count	0
20056950	Rotatable_Bond_Count	3
19022	Isotope_Atom_Count	0
12858475	Defined_Bond_Stereo_Count	0
219077	Hydrogen_Bond_Donor_Count	0
141758021	Total_Formal_Charge	0
53606	Undefined_Atom_Stereo_Count	1
25102938	Mono_Isotopic_Weight	361.11210749
24434	Undefined_Bond_Stereo_Count	0
21564107	Non-hydrogen_Atom_Count	8
28207	Rotatable_Bond_Count	3
9821217	Covalent_Unit_Count	1
53316398	Hydrogen_Bond_Donor_Count	3
121489349	Hydrogen_Bond_Acceptor_Count	31
616	TPSA	185
52931256	Structure_Complexity	927
36572	Hydrogen_Bond_Donor_Count	0
146395	Mono_Isotopic_Weight	504.1946483
97971	Hydrogen_Bond_Acceptor_Count	3
159652940	XLogP3-AA	0.1
20141875	Non-hydrogen_Atom_Count	7
72200670	Exact_Mass	348.13481644
45116687	Defined_Bond_Stereo_Count	0
23216963	Undefined_Atom_Stereo_Count	2
28615	Total_Formal_Charge	0
557908	XLogP3-AA	0
18777	Mono_Isotopic_Weight	637.10897582
12222	Tautomer_Count	1
134879127	Rotatable_Bond_Count	4
520381	Exact_Mass	206.203450829
16219293	Mono_Isotopic_Weight	337.05488871
77999	Non-hydrogen_Atom_Count	25
6917972	Isotope_Atom_Count	0
10866310	Defined_Atom_Stereo_Count	0
40657	Rotatable_Bond_Count	11
2778339	Isotope_Atom_Count	0
642240	Rotatable_Bond_Count	2
21258259	Undefined_Atom_Stereo_Count	0
6527064	Covalent_Unit_Count	3
637996	Hydrogen_Bond_Donor_Count	0
19042	Tautomer_Count	1
446142	Undefined_Atom_Stereo_Count	0
77997	Exact_Mass	391.20082506
74229	Structure_Complexity	192
518760	Tautomer_Count	1
151114	Non-hydrogen_Atom_Count	39
47866	Molecular_Weight	166.18
5289296	Total_Formal_Charge	0
33184	Undefined_Atom_Stereo_Count	0
43095	Tautomer_Count	1
4651115	Undefined_Bond_Stereo_Count	3
24916897	Molecular_Weight	508.7
3017336	Molecular_Weight	114.14
77288	Mono_Isotopic_Weight	174.14422188
92180	Defined_Bond_Stereo_Count	0
695341	XLogP3	1.3
62576	Hydrogen_Bond_Donor_Count	0
15659	Isotope_Atom_Count	0
2729005	Defined_Atom_Stereo_Count	1
8642	Mono_Isotopic_Weight	326.03153051
68402550	Defined_Atom_Stereo_Count	0
7854	Covalent_Unit_Count	1
47660	Non-hydrogen_Atom_Count	24
6367	Structure_Complexity	33
511883	Total_Formal_Charge	0
44521019	Undefined_Bond_Stereo_Count	0
4778	Total_Formal_Charge	0
46218908	Covalent_Unit_Count	1
8919	Tautomer_Count	1
16220095	Mono_Isotopic_Weight	525.24750046
25019940	Exact_Mass	557.22384613
62529	Mono_Isotopic_Weight	192.162648646
9639	Hydrogen_Bond_Donor_Count	0
18407	Isotope_Atom_Count	0
118499237	Undefined_Atom_Stereo_Count	0
96498	Covalent_Unit_Count	1
69158971	Defined_Bond_Stereo_Count	0
11828754	TPSA	324
9898814	XLogP3-AA	0.1
88007	Exact_Mass	1193.05482142
141772581	Defined_Atom_Stereo_Count	0
14768	Covalent_Unit_Count	1
15565287	Molecular_Weight	108.18
24417	Defined_Bond_Stereo_Count	0
6993205	Exact_Mass	304.04603776
13727	Mono_Isotopic_Weight	279.1753775
12936855	Exact_Mass	114.104465066
12320138	Hydrogen_Bond_Acceptor_Count	2
90397060	Mono_Isotopic_Weight	1201.84136802
7959	Isotope_Atom_Count	0
67989199	Mono_Isotopic_Weight	100.100048391
84923	Defined_Atom_Stereo_Count	0
2206	Molecular_Weight	188.23
28993	Isotope_Atom_Count	0
22112092	Non-hydrogen_Atom_Count	7
23705	Defined_Atom_Stereo_Count	0
9925908	Molecular_Weight	286.37
23666342	Covalent_Unit_Count	2
129851390	XLogP3-AA	1.4
18470	Structure_Complexity	274
68423	Structure_Complexity	39.4
80395	Undefined_Atom_Stereo_Count	0
5281127	Hydrogen_Bond_Donor_Count	1
117059122	Total_Formal_Charge	0
1753	Undefined_Atom_Stereo_Count	6
7280190	Undefined_Bond_Stereo_Count	0
68530	Molecular_Weight	156.55
46127	Hydrogen_Bond_Donor_Count	1
2775003	Hydrogen_Bond_Acceptor_Count	2
98181809	Hydrogen_Bond_Donor_Count	1
5463858	Molecular_Weight	303.35
5486998	Tautomer_Count	3
40784491	Hydrogen_Bond_Acceptor_Count	2
118984457	TPSA	2570
3170	Isotope_Atom_Count	0
129897177	Defined_Bond_Stereo_Count	2
91895934	Exact_Mass	560.27338086
46244883	Molecular_Weight	424.5
45357796	Undefined_Atom_Stereo_Count	0
383414	Non-hydrogen_Atom_Count	71
3073200	Isotope_Atom_Count	0
73977860	TPSA	33
7423	Mono_Isotopic_Weight	138.042927438
6096880	Rotatable_Bond_Count	7
15295	Undefined_Bond_Stereo_Count	0
5817	Defined_Bond_Stereo_Count	0
9723	Defined_Bond_Stereo_Count	0
44395178	Mono_Isotopic_Weight	477.1567673
3590	Hydrogen_Bond_Acceptor_Count	2
62517	Molecular_Weight	578.4
14200857	Undefined_Bond_Stereo_Count	0
4630917	Covalent_Unit_Count	1
246511	Defined_Bond_Stereo_Count	0
3564	Molecular_Weight	214.26
14678668	Hydrogen_Bond_Acceptor_Count	2
125462113	Total_Formal_Charge	0
13487238	Rotatable_Bond_Count	0
53870064	Defined_Bond_Stereo_Count	0
61902348	Defined_Bond_Stereo_Count	0
12296	Molecular_Weight	102.17
15684	Exact_Mass	175.9795702
9818287	Rotatable_Bond_Count	6
74777	Total_Formal_Charge	0
6237	Molecular_Weight	518.08
26710	Defined_Atom_Stereo_Count	0
70693548	Isotope_Atom_Count	0
40467	Undefined_Bond_Stereo_Count	0
165611944	Non-hydrogen_Atom_Count	8
3082131	Isotope_Atom_Count	0
5959	Undefined_Bond_Stereo_Count	0
20861	Non-hydrogen_Atom_Count	10
23247721	Covalent_Unit_Count	1
71719928	Defined_Atom_Stereo_Count	4
38333	Mono_Isotopic_Weight	177.042593085
124921376	Non-hydrogen_Atom_Count	47
57825223	Undefined_Bond_Stereo_Count	0
57066209	Undefined_Atom_Stereo_Count	0
716121	Mono_Isotopic_Weight	274.1236763
109198	Non-hydrogen_Atom_Count	32
77014	Covalent_Unit_Count	1
7732	TPSA	35.2
4409936	Hydrogen_Bond_Donor_Count	0
316724	Undefined_Bond_Stereo_Count	0
3195	Hydrogen_Bond_Donor_Count	0
4911	TPSA	83.1
54326118	Exact_Mass	110.048012819
4284331	Isotope_Atom_Count	0
133124921	Undefined_Bond_Stereo_Count	0
24956	Hydrogen_Bond_Acceptor_Count	0
90628	Covalent_Unit_Count	1
22751786	Structure_Complexity	131
16685	Covalent_Unit_Count	1
129860157	Exact_Mass	95.073499291
17027464	Structure_Complexity	675
103544	Isotope_Atom_Count	0
169371	Exact_Mass	440.15566577
257950	Undefined_Atom_Stereo_Count	0
54283855	Isotope_Atom_Count	0
636345	Hydrogen_Bond_Acceptor_Count	26
5459124	Isotope_Atom_Count	0
9815576	TPSA	132
5283387	Rotatable_Bond_Count	15
122087	Hydrogen_Bond_Donor_Count	1
941385	Exact_Mass	352.0713660
138375	Total_Formal_Charge	0
10401	TPSA	26.3
91145327	Isotope_Atom_Count	0
23274077	Undefined_Bond_Stereo_Count	0
15385	Molecular_Weight	163.02
7179	Hydrogen_Bond_Donor_Count	0
64692	Undefined_Bond_Stereo_Count	0
185654	Covalent_Unit_Count	1
62995	Hydrogen_Bond_Acceptor_Count	7
2763275	Mono_Isotopic_Weight	110.059246208
45944	Hydrogen_Bond_Donor_Count	1
5319879	Exact_Mass	356.29265975
571736	TPSA	52.5
12318317	Covalent_Unit_Count	1
29033	Undefined_Bond_Stereo_Count	0
312666	Defined_Bond_Stereo_Count	0
61290	TPSA	26.3
52942704	Rotatable_Bond_Count	5
22988955	TPSA	26.3
441278	Hydrogen_Bond_Donor_Count	1
457831	XLogP3-AA	0.6
13265779	Undefined_Bond_Stereo_Count	0
84421	Covalent_Unit_Count	1
73538	TPSA	67.5
11452022	Isotope_Atom_Count	0
58084	Undefined_Bond_Stereo_Count	0
12433	Total_Formal_Charge	0
91438	Covalent_Unit_Count	1
9800555	TPSA	97.1
5284	XLogP3-AA	7
167253	Undefined_Atom_Stereo_Count	0
135451068	Structure_Complexity	834
2280	Rotatable_Bond_Count	4
12508258	Total_Formal_Charge	0
58806244	Structure_Complexity	76.2
196879	Defined_Bond_Stereo_Count	0
148121	Non-hydrogen_Atom_Count	35
403646	Hydrogen_Bond_Acceptor_Count	3
23327	Hydrogen_Bond_Acceptor_Count	5
9846588	Hydrogen_Bond_Acceptor_Count	8
2099	Covalent_Unit_Count	1
10419143	Rotatable_Bond_Count	3
138041	Hydrogen_Bond_Acceptor_Count	1
137240373	Covalent_Unit_Count	6
54258195	Molecular_Weight	105.14
279062	Molecular_Weight	285.25
170249	Molecular_Weight	152.62
702015	Undefined_Bond_Stereo_Count	0
52943302	Mono_Isotopic_Weight	399.13944780
14660779	Isotope_Atom_Count	0
53425533	Covalent_Unit_Count	1
9385	Isotope_Atom_Count	0
44115	Exact_Mass	334.0884336
3033690	Undefined_Atom_Stereo_Count	0
2733526	Structure_Complexity	463
373077	Isotope_Atom_Count	0
71306319	TPSA	452
16218600	Defined_Bond_Stereo_Count	0
39628	Isotope_Atom_Count	0
74266	Isotope_Atom_Count	0
28114	Molecular_Weight	110.11
3427828	Undefined_Bond_Stereo_Count	0
6917738	Non-hydrogen_Atom_Count	49
7029	Covalent_Unit_Count	1
49865919	XLogP3-AA	3.6
100524	Hydrogen_Bond_Acceptor_Count	6
137699054	Covalent_Unit_Count	1
5461	Defined_Bond_Stereo_Count	0
3566770	Structure_Complexity	54.3
68616	Defined_Bond_Stereo_Count	0
60753	Hydrogen_Bond_Donor_Count	2
57123750	Non-hydrogen_Atom_Count	85
955	Undefined_Atom_Stereo_Count	0
44123754	Hydrogen_Bond_Donor_Count	2
5352428	Non-hydrogen_Atom_Count	14
16219903	Non-hydrogen_Atom_Count	44
21594228	Non-hydrogen_Atom_Count	38
61660	Exact_Mass	156.02450067
1111	Non-hydrogen_Atom_Count	55
5319022	Covalent_Unit_Count	1
57398253	Undefined_Atom_Stereo_Count	0
315201	Molecular_Weight	112.13
2800	Hydrogen_Bond_Donor_Count	0
44195571	Hydrogen_Bond_Acceptor_Count	10
222786	Tautomer_Count	45
49865703	Hydrogen_Bond_Acceptor_Count	4
18616487	Covalent_Unit_Count	1
11241863	Covalent_Unit_Count	1
5284656	Hydrogen_Bond_Acceptor_Count	2
135445749	Isotope_Atom_Count	0
11842633	Molecular_Weight	504.6
12397138	Non-hydrogen_Atom_Count	7
22836366	Total_Formal_Charge	0
7259	Isotope_Atom_Count	0
19665	Rotatable_Bond_Count	7
45933886	Defined_Atom_Stereo_Count	4
60196265	Covalent_Unit_Count	3
11643997	Total_Formal_Charge	0
10291931	Defined_Bond_Stereo_Count	0
92850	Undefined_Bond_Stereo_Count	0
14946164	Hydrogen_Bond_Acceptor_Count	0
9892540	XLogP3-AA	3.8
5284503	Hydrogen_Bond_Acceptor_Count	1
99014	Defined_Atom_Stereo_Count	0
5095	Rotatable_Bond_Count	7
4156	Hydrogen_Bond_Acceptor_Count	3
542337	Molecular_Weight	100.16
14409	TPSA	35.6
122214878	Isotope_Atom_Count	0
1299	Non-hydrogen_Atom_Count	15
13968540	Structure_Complexity	74.2
135564996	Structure_Complexity	780
15808	Structure_Complexity	178
16083167	Exact_Mass	338.99670
398637	Covalent_Unit_Count	1
954608	Total_Formal_Charge	0
24808640	Exact_Mass	94.041864811
140180	Isotope_Atom_Count	0
23462	Defined_Atom_Stereo_Count	1
129316724	Mono_Isotopic_Weight	327.202608250
68576	Structure_Complexity	645
135300	Hydrogen_Bond_Donor_Count	0
153308419	Rotatable_Bond_Count	3
5388983	Rotatable_Bond_Count	10
15939272	Total_Formal_Charge	0
60207729	Molecular_Weight	113.08
84020522	XLogP3-AA	0.6
280	Defined_Atom_Stereo_Count	0
121586	Molecular_Weight	290.11
80792	Isotope_Atom_Count	0
202877	Exact_Mass	256.0240655
10102486	Total_Formal_Charge	2
53772109	Isotope_Atom_Count	0
8320	Defined_Bond_Stereo_Count	0
44126083	Molecular_Weight	391.5
49865733	XLogP3-AA	3.5
3763520	Rotatable_Bond_Count	3
13597	Covalent_Unit_Count	1
20056755	Exact_Mass	342.11621151
156615	Tautomer_Count	2
123662875	Covalent_Unit_Count	1
14359030	Defined_Bond_Stereo_Count	0
36005	Undefined_Bond_Stereo_Count	0
54677674	XLogP3-AA	3.5
10295970	Total_Formal_Charge	0
657250	Hydrogen_Bond_Acceptor_Count	14
38876	Tautomer_Count	1
1551553	Hydrogen_Bond_Acceptor_Count	4
163518393	Molecular_Weight	115.13
60946	Tautomer_Count	1
3083346	Mono_Isotopic_Weight	335.15801676
73353578	Total_Formal_Charge	0
124009347	Isotope_Atom_Count	0
16219444	Non-hydrogen_Atom_Count	24
10630456	Defined_Bond_Stereo_Count	0
9578570	Tautomer_Count	2
96379	Rotatable_Bond_Count	6
18711468	Mono_Isotopic_Weight	96.093900383
48671	Isotope_Atom_Count	0
41781	Exact_Mass	348.12561169
12285868	Isotope_Atom_Count	0
66027	Undefined_Atom_Stereo_Count	0
7580	Exact_Mass	168.093900383
54598431	Isotope_Atom_Count	0
53346593	Exact_Mass	104.047344113
27400	Undefined_Atom_Stereo_Count	0
12310	Defined_Bond_Stereo_Count	0
162883452	Non-hydrogen_Atom_Count	36
7647	Hydrogen_Bond_Donor_Count	0
42552739	Defined_Atom_Stereo_Count	10
7455	Isotope_Atom_Count	0
84647648	Defined_Atom_Stereo_Count	0
75472	Hydrogen_Bond_Donor_Count	1
54729367	Total_Formal_Charge	0
3180466	Total_Formal_Charge	0
11344362	Isotope_Atom_Count	1
135398733	Defined_Atom_Stereo_Count	0
5355836	Exact_Mass	192.04225873
1206	XLogP3	2.1
2734941	Exact_Mass	398.216337987
11095	Tautomer_Count	210
6670	Non-hydrogen_Atom_Count	15
4845	Covalent_Unit_Count	1
6537099	Structure_Complexity	326
16157	Defined_Bond_Stereo_Count	0
10445549	Isotope_Atom_Count	0
148573599	Molecular_Weight	106.16
9953205	XLogP3-AA	3.4
53643899	Defined_Bond_Stereo_Count	0
71433133	Rotatable_Bond_Count	0
76980	Undefined_Bond_Stereo_Count	0
54411340	Mono_Isotopic_Weight	95.048347172
24865999	Isotope_Atom_Count	0
137814	Covalent_Unit_Count	1
71306720	Isotope_Atom_Count	0
4736391	Exact_Mass	98.048012819
12942137	Non-hydrogen_Atom_Count	21
67979346	TPSA	72.9
69571381	Defined_Atom_Stereo_Count	0
137326482	Covalent_Unit_Count	1
5311053	Total_Formal_Charge	0
71651624	Covalent_Unit_Count	1
45238	Molecular_Weight	289.4
376	Undefined_Bond_Stereo_Count	0
59295939	Defined_Atom_Stereo_Count	1
23087	Undefined_Atom_Stereo_Count	0
11865410	Defined_Atom_Stereo_Count	4
22219016	Non-hydrogen_Atom_Count	35
122316	Defined_Bond_Stereo_Count	0
448803	Hydrogen_Bond_Donor_Count	6
117768413	Non-hydrogen_Atom_Count	12
91865076	TPSA	943
134564038	Mono_Isotopic_Weight	109.063997236
289539	Rotatable_Bond_Count	0
541660	XLogP3-AA	1.3
56675697	Rotatable_Bond_Count	10
123868	Mono_Isotopic_Weight	146.105527694
91820403	Defined_Bond_Stereo_Count	0
1449	Hydrogen_Bond_Donor_Count	1
57349791	Total_Formal_Charge	0
610072	XLogP3-AA	4
3140	Hydrogen_Bond_Donor_Count	0
624748	Covalent_Unit_Count	1
662	Defined_Bond_Stereo_Count	0
79772	Undefined_Atom_Stereo_Count	0
15446403	Hydrogen_Bond_Acceptor_Count	1
10964444	Isotope_Atom_Count	0
851033	Undefined_Atom_Stereo_Count	0
21595393	Covalent_Unit_Count	1
72322	Structure_Complexity	502
162918377	Defined_Bond_Stereo_Count	1
69657541	XLogP3-AA	1.1
12412245	Hydrogen_Bond_Donor_Count	1
84106834	Exact_Mass	99.104799419
24883439	Defined_Atom_Stereo_Count	0
2813	Undefined_Bond_Stereo_Count	0
85909569	Defined_Bond_Stereo_Count	0
56955068	Undefined_Bond_Stereo_Count	0
57035514	Mono_Isotopic_Weight	112.063662883
9803788	Exact_Mass	448.03017
5962	Mono_Isotopic_Weight	146.105527694
3082042	Tautomer_Count	256
21319	Hydrogen_Bond_Acceptor_Count	8
23674739	Defined_Atom_Stereo_Count	0
20062980	Mono_Isotopic_Weight	117.01385337
45120389	Undefined_Atom_Stereo_Count	2
24946104	Defined_Bond_Stereo_Count	0
3033968	Structure_Complexity	648
59277839	Rotatable_Bond_Count	1
151245	XLogP3-AA	3
6917698	Exact_Mass	465.1830623
26375	Hydrogen_Bond_Donor_Count	0
5742631	Defined_Bond_Stereo_Count	0
533854	Rotatable_Bond_Count	3
5894	Covalent_Unit_Count	1
91723653	Covalent_Unit_Count	1
122195	Defined_Atom_Stereo_Count	6
10214378	Exact_Mass	86.036779430
91282244	XLogP3-AA	1
89388	Exact_Mass	222.08920892
7192	Rotatable_Bond_Count	2
69957602	Defined_Bond_Stereo_Count	0
88269064	Total_Formal_Charge	0
70689387	Covalent_Unit_Count	1
17956339	Defined_Atom_Stereo_Count	0
94310	Tautomer_Count	1
7265	Structure_Complexity	99.1
20553	XLogP3-AA	0.3
84072504	Total_Formal_Charge	0
11876263	Hydrogen_Bond_Acceptor_Count	4
85585524	Undefined_Bond_Stereo_Count	0
10079	Defined_Bond_Stereo_Count	0
5256168	Exact_Mass	111.96527171
29385	Mono_Isotopic_Weight	102.128274515
147919783	Covalent_Unit_Count	1
26738	Tautomer_Count	409
75675	Molecular_Weight	192.32
6989253	Molecular_Weight	117.15
20519089	Rotatable_Bond_Count	16
11646	Tautomer_Count	1
11954236	Molecular_Weight	882.8
135565932	Mono_Isotopic_Weight	560.11995504
91604	Undefined_Atom_Stereo_Count	1
4820	Non-hydrogen_Atom_Count	20
23158380	Defined_Atom_Stereo_Count	0
124823816	Structure_Complexity	634
45266908	Hydrogen_Bond_Acceptor_Count	19
161764	Non-hydrogen_Atom_Count	29
64781	Defined_Bond_Stereo_Count	0
21672	Hydrogen_Bond_Acceptor_Count	2
79510	Non-hydrogen_Atom_Count	11
5353970	Non-hydrogen_Atom_Count	37
15205080	Undefined_Atom_Stereo_Count	1
72200863	Defined_Atom_Stereo_Count	4
2127	Covalent_Unit_Count	1
73216	Total_Formal_Charge	0
45344	Exact_Mass	333.1262344
139292184	Hydrogen_Bond_Acceptor_Count	17
83528703	Undefined_Atom_Stereo_Count	0
3728	Isotope_Atom_Count	0
6442	Hydrogen_Bond_Acceptor_Count	3
12241264	Isotope_Atom_Count	0
10378638	Covalent_Unit_Count	1
527031	Undefined_Bond_Stereo_Count	0
90750	Exact_Mass	291.173547683
12814872	Defined_Atom_Stereo_Count	7
153448834	Covalent_Unit_Count	1
105426930	Undefined_Atom_Stereo_Count	3
14990169	Exact_Mass	292.276615768
9664	TPSA	0
86098790	Non-hydrogen_Atom_Count	14
523224	Rotatable_Bond_Count	0
15273943	Mono_Isotopic_Weight	112.052429494
15990796	Defined_Atom_Stereo_Count	0
11156438	Total_Formal_Charge	0
139060478	Undefined_Bond_Stereo_Count	0
9117	Hydrogen_Bond_Donor_Count	0
19972	Defined_Atom_Stereo_Count	4
10298	Total_Formal_Charge	0
59743	TPSA	84.9
39238	Isotope_Atom_Count	0
156497240	Covalent_Unit_Count	1
152119	Hydrogen_Bond_Acceptor_Count	4
70755	Undefined_Atom_Stereo_Count	0
453958	Hydrogen_Bond_Acceptor_Count	3
23278861	Hydrogen_Bond_Acceptor_Count	14
140920	Covalent_Unit_Count	1
27119	Undefined_Atom_Stereo_Count	0
21255244	Total_Formal_Charge	0
409350	Hydrogen_Bond_Acceptor_Count	4
7761	Hydrogen_Bond_Acceptor_Count	4
14833	Molecular_Weight	159.69
54690394	Covalent_Unit_Count	1
5248373	Mono_Isotopic_Weight	114.115698455
67284	Undefined_Bond_Stereo_Count	0
14094187	Undefined_Bond_Stereo_Count	0
21634	Undefined_Bond_Stereo_Count	0
638070	Isotope_Atom_Count	0
86063	Non-hydrogen_Atom_Count	13
131801109	Exact_Mass	802.26322735
11263488	TPSA	32.3
56963011	Mono_Isotopic_Weight	608.18345
76973294	TPSA	57.2
21718270	Mono_Isotopic_Weight	116.058577502
11634725	Defined_Atom_Stereo_Count	1
9870843	Molecular_Weight	506.6
6852129	Non-hydrogen_Atom_Count	14
57656657	Undefined_Bond_Stereo_Count	0
5280954	Tautomer_Count	1
132031748	Mono_Isotopic_Weight	113.047678466
533	Molecular_Weight	80.99
55286155	Structure_Complexity	93.7
11029756	Total_Formal_Charge	0
21071390	Rotatable_Bond_Count	9
31364	XLogP3-AA	2.3
28620	Molecular_Weight	943.1
12233	Structure_Complexity	42.6
5154	Covalent_Unit_Count	1
77753	Exact_Mass	212.07452486
13860601	Molecular_Weight	114.19
61739	Covalent_Unit_Count	1
8001	Hydrogen_Bond_Acceptor_Count	0
97886	Non-hydrogen_Atom_Count	18
912	Non-hydrogen_Atom_Count	9
6427071	Molecular_Weight	194.27
135747	Undefined_Bond_Stereo_Count	0
71751553	Molecular_Weight	396.3
15793	Defined_Atom_Stereo_Count	0
285285	Exact_Mass	377.047153
65730	Isotope_Atom_Count	0
155977656	TPSA	229
54708299	Hydrogen_Bond_Donor_Count	2
7741	Mono_Isotopic_Weight	111.079647300
237766	Total_Formal_Charge	0
134688323	Defined_Bond_Stereo_Count	0
55300572	Structure_Complexity	126
9909846	Molecular_Weight	416.6
44134885	Mono_Isotopic_Weight	373.06243472
60936	TPSA	146
8766	Undefined_Bond_Stereo_Count	0
51763	Covalent_Unit_Count	2
6440459	Rotatable_Bond_Count	18
98047379	Defined_Atom_Stereo_Count	8
16454	Defined_Atom_Stereo_Count	0
69232870	Non-hydrogen_Atom_Count	8
9948588	Exact_Mass	309.184112366
51935	Isotope_Atom_Count	0
19891145	Hydrogen_Bond_Acceptor_Count	3
534283	Structure_Complexity	64.6
537037	Non-hydrogen_Atom_Count	39
6454351	XLogP3	1.6
61286	Rotatable_Bond_Count	10
6168	Covalent_Unit_Count	1
13272656	Isotope_Atom_Count	0
545127	Defined_Atom_Stereo_Count	0
71785	Total_Formal_Charge	0
57721	Exact_Mass	485.22609631
4178	Molecular_Weight	179.26
558341	Total_Formal_Charge	0
4369536	XLogP3-AA	3.4
6918155	Covalent_Unit_Count	1
55286501	Structure_Complexity	119
162990680	Hydrogen_Bond_Donor_Count	7
12465658	Total_Formal_Charge	0
734999	Defined_Bond_Stereo_Count	0
180559	TPSA	84.6
12674607	Molecular_Weight	85.15
3651	Defined_Bond_Stereo_Count	0
75472	Non-hydrogen_Atom_Count	12
14133354	Mono_Isotopic_Weight	98.036779430
25080	Undefined_Atom_Stereo_Count	0
69275	Structure_Complexity	135
69158	Structure_Complexity	346
21282995	Undefined_Bond_Stereo_Count	0
39266	Tautomer_Count	1
11574638	TPSA	53.1
84339	Defined_Bond_Stereo_Count	0
44567097	Total_Formal_Charge	0
98502	Non-hydrogen_Atom_Count	8
5702236	Defined_Atom_Stereo_Count	0
86220885	TPSA	26
25171648	Hydrogen_Bond_Donor_Count	0
14072448	Total_Formal_Charge	0
26058	Total_Formal_Charge	0
54756	Mono_Isotopic_Weight	160.125200510
14789	Hydrogen_Bond_Donor_Count	2
66545744	TPSA	58.7
12634653	Total_Formal_Charge	0
12717520	Hydrogen_Bond_Donor_Count	1
6869	Total_Formal_Charge	0
135411	TPSA	57.5
11582982	TPSA	125
68015385	Isotope_Atom_Count	0
59630744	XLogP3-AA	3.2
129794671	Undefined_Atom_Stereo_Count	0
53436345	Isotope_Atom_Count	0
8292	Mono_Isotopic_Weight	308.03058836
14106	Undefined_Bond_Stereo_Count	0
44224066	TPSA	180
146395	Hydrogen_Bond_Donor_Count	3
11267045	Isotope_Atom_Count	0
54231313	Undefined_Bond_Stereo_Count	0
71776101	Exact_Mass	345.966361
135509116	Covalent_Unit_Count	1
23430	Non-hydrogen_Atom_Count	32
38666	Rotatable_Bond_Count	2
139742	Mono_Isotopic_Weight	108.068748264
7886	Structure_Complexity	158
79824	XLogP3	2.1
5148195	Hydrogen_Bond_Donor_Count	0
893980	TPSA	48.2
4039	Undefined_Atom_Stereo_Count	0
134689739	Undefined_Atom_Stereo_Count	0
11476771	Hydrogen_Bond_Donor_Count	2
42609610	Non-hydrogen_Atom_Count	13
67698	Defined_Bond_Stereo_Count	0
3041255	Isotope_Atom_Count	0
18755330	Exact_Mass	102.068079557
24971342	Isotope_Atom_Count	0
73799602	Non-hydrogen_Atom_Count	7
16760390	Mono_Isotopic_Weight	100.052429494
7508	Mono_Isotopic_Weight	110.073164938
9818287	Covalent_Unit_Count	1
31842	Undefined_Atom_Stereo_Count	5
62173	Defined_Bond_Stereo_Count	0
12559164	TPSA	0
445995	Tautomer_Count	1
178438	Undefined_Atom_Stereo_Count	0
88447703	Covalent_Unit_Count	1
10899357	Covalent_Unit_Count	1
3033821	Molecular_Weight	335.4
93971978	XLogP3-AA	2.2
16095400	Defined_Atom_Stereo_Count	0
7549	XLogP3-AA	0.3
101606430	XLogP3-AA	7.3
8316	Isotope_Atom_Count	0
54261087	Covalent_Unit_Count	1
62234773	Total_Formal_Charge	0
25084151	Hydrogen_Bond_Donor_Count	16
54307258	Mono_Isotopic_Weight	102.079312947
12028	Defined_Bond_Stereo_Count	0
136135	Rotatable_Bond_Count	0
71456722	Covalent_Unit_Count	1
122152	Exact_Mass	581.07329
737157	Structure_Complexity	248
98497	XLogP3-AA	1.9
9906028	TPSA	87.4
171970	Tautomer_Count	2
65719	Total_Formal_Charge	0
16721	Undefined_Bond_Stereo_Count	0
4808	Defined_Atom_Stereo_Count	0
637931	Tautomer_Count	1
5463081	Covalent_Unit_Count	1
13081	Isotope_Atom_Count	0
591683	Defined_Atom_Stereo_Count	0
61631	TPSA	26.3
25835	XLogP3-AA	7.5
84647649	Defined_Bond_Stereo_Count	0
9957217	Covalent_Unit_Count	1
101059324	Hydrogen_Bond_Donor_Count	0
48671	TPSA	39.2
23571381	Isotope_Atom_Count	0
30251	Molecular_Weight	284.2
961	Structure_Complexity	0
4669250	Rotatable_Bond_Count	0
95269	Undefined_Atom_Stereo_Count	2
70754	Defined_Bond_Stereo_Count	0
1549103	Undefined_Bond_Stereo_Count	0
4264	Undefined_Atom_Stereo_Count	8
53315818	Exact_Mass	243.08954328
139595130	Hydrogen_Bond_Donor_Count	11
13314	Defined_Atom_Stereo_Count	0
29396	Non-hydrogen_Atom_Count	8
18952320	Hydrogen_Bond_Acceptor_Count	1
25126798	Rotatable_Bond_Count	4
25142042	Defined_Atom_Stereo_Count	2
5702220	Total_Formal_Charge	0
46203391	Defined_Atom_Stereo_Count	0
12302654	Undefined_Bond_Stereo_Count	0
64647	Total_Formal_Charge	0
1047	Defined_Atom_Stereo_Count	0
53364498	Defined_Bond_Stereo_Count	0
57992215	Covalent_Unit_Count	1
12967	Total_Formal_Charge	0
133832	Molecular_Weight	377.5
70545463	Non-hydrogen_Atom_Count	7
805	Undefined_Atom_Stereo_Count	4
11560610	Isotope_Atom_Count	0
12196071	Undefined_Bond_Stereo_Count	0
20928	Undefined_Bond_Stereo_Count	0
4510	Undefined_Atom_Stereo_Count	0
20710	Non-hydrogen_Atom_Count	22
12508	Molecular_Weight	116.16
695356	TPSA	51.5
9819350	XLogP3-AA	3.8
792027	Hydrogen_Bond_Donor_Count	1
53839028	XLogP3-AA	1.3
68365444	Rotatable_Bond_Count	0
6388	Covalent_Unit_Count	1
441082	Hydrogen_Bond_Donor_Count	0
137319701	Non-hydrogen_Atom_Count	28
101381993	Mono_Isotopic_Weight	191.02185764
88464430	Structure_Complexity	80.5
3715	Molecular_Weight	357.8
14475	XLogP3	2.9
938021	Defined_Atom_Stereo_Count	1
5080759	Structure_Complexity	164
4103	Covalent_Unit_Count	1
66679	Isotope_Atom_Count	0
130554629	Defined_Bond_Stereo_Count	0
8282	Hydrogen_Bond_Donor_Count	3
2764407	Defined_Atom_Stereo_Count	0
15016062	Exact_Mass	278.14528450
11586735	Rotatable_Bond_Count	3
68681268	Rotatable_Bond_Count	7
214038	Rotatable_Bond_Count	12
69204	Non-hydrogen_Atom_Count	8
135456058	Isotope_Atom_Count	0
12360	Undefined_Bond_Stereo_Count	0
148573599	Undefined_Atom_Stereo_Count	0
9601226	Isotope_Atom_Count	0
92968	TPSA	113
1413	Non-hydrogen_Atom_Count	23
122214398	Undefined_Bond_Stereo_Count	0
118121642	Hydrogen_Bond_Donor_Count	0
91664	Structure_Complexity	260
431249	Exact_Mass	379.193614421
54580	Mono_Isotopic_Weight	500.18442974
16687470	Covalent_Unit_Count	1
517	Defined_Bond_Stereo_Count	0
11269	Mono_Isotopic_Weight	114.140850574
317681	XLogP3-AA	1.5
825353	Rotatable_Bond_Count	4
3191	Mono_Isotopic_Weight	469.298079487
6361	Hydrogen_Bond_Acceptor_Count	0
548989	Defined_Bond_Stereo_Count	0
67174361	Covalent_Unit_Count	2
413519	Total_Formal_Charge	1
327216	Non-hydrogen_Atom_Count	7
66550979	Rotatable_Bond_Count	7
58195	Hydrogen_Bond_Acceptor_Count	2
47640	Non-hydrogen_Atom_Count	23
22140765	Undefined_Bond_Stereo_Count	0
22218878	Covalent_Unit_Count	1
17769620	Undefined_Bond_Stereo_Count	0
5505	Covalent_Unit_Count	1
528630	Hydrogen_Bond_Donor_Count	1
138663	Total_Formal_Charge	0
13587	TPSA	13.1
6435397	Defined_Atom_Stereo_Count	0
566685	Defined_Bond_Stereo_Count	0
11701820	Undefined_Bond_Stereo_Count	0
6917793	TPSA	176
8058	Mono_Isotopic_Weight	86.109550447
1991	Undefined_Bond_Stereo_Count	0
91899080	XLogP3-AA	2.2
57402653	Non-hydrogen_Atom_Count	26
163940165	Hydrogen_Bond_Acceptor_Count	1
94377	Structure_Complexity	190
19759614	Undefined_Bond_Stereo_Count	0
43594	Isotope_Atom_Count	0
16760394	Undefined_Bond_Stereo_Count	0
62016	Total_Formal_Charge	0
56841653	Defined_Bond_Stereo_Count	0
12576851	Hydrogen_Bond_Acceptor_Count	3
54020983	Non-hydrogen_Atom_Count	9
90708518	TPSA	72.8
145948323	Exact_Mass	958.55145317
6497	Non-hydrogen_Atom_Count	7
4377	Non-hydrogen_Atom_Count	7
6409	Structure_Complexity	38.5
75460	Defined_Bond_Stereo_Count	0
4043	Structure_Complexity	650
64154	Mono_Isotopic_Weight	170.0862282
6426924	Non-hydrogen_Atom_Count	65
3549980	TPSA	40.1
23702658	Total_Formal_Charge	0
118328333	Undefined_Atom_Stereo_Count	0
3245	Undefined_Bond_Stereo_Count	0
85867	TPSA	90.8
69319	Defined_Atom_Stereo_Count	0
5484286	Undefined_Atom_Stereo_Count	0
11417	Undefined_Bond_Stereo_Count	0
9414	Defined_Atom_Stereo_Count	0
135297777	Defined_Atom_Stereo_Count	0
145705668	Undefined_Bond_Stereo_Count	2
87348	Defined_Bond_Stereo_Count	0
13539	Isotope_Atom_Count	0
11724027	Structure_Complexity	414
8176	Non-hydrogen_Atom_Count	11
73913	Hydrogen_Bond_Acceptor_Count	5
85238	TPSA	24.1
644007	Exact_Mass	289.13140809
627458	Tautomer_Count	1
688044	Hydrogen_Bond_Acceptor_Count	2
27689	Isotope_Atom_Count	0
60714	Rotatable_Bond_Count	5
17756	Covalent_Unit_Count	1
22238266	Hydrogen_Bond_Donor_Count	1
9865961	Covalent_Unit_Count	1
9465	Defined_Bond_Stereo_Count	0
33251	Defined_Bond_Stereo_Count	0
163285965	Isotope_Atom_Count	0
11908488	Defined_Bond_Stereo_Count	0
66587032	Rotatable_Bond_Count	4
3580	Undefined_Bond_Stereo_Count	6
659009	Undefined_Bond_Stereo_Count	0
4889	Defined_Atom_Stereo_Count	0
91259187	Defined_Atom_Stereo_Count	0
54541930	Rotatable_Bond_Count	3
6473973	Isotope_Atom_Count	0
72002	XLogP3-AA	4.7
164034646	Hydrogen_Bond_Donor_Count	1
6416	Mono_Isotopic_Weight	100.088815002
14646171	Undefined_Atom_Stereo_Count	1
135459889	Mono_Isotopic_Weight	167.02051497
145627882	Non-hydrogen_Atom_Count	8
58247682	Defined_Bond_Stereo_Count	0
89055	Non-hydrogen_Atom_Count	13
271814	Mono_Isotopic_Weight	256.146329876
59022304	Molecular_Weight	101.15
111878	Tautomer_Count	1
14443	Covalent_Unit_Count	1
13916	Defined_Bond_Stereo_Count	0
85546	Undefined_Bond_Stereo_Count	0
134825744	Defined_Bond_Stereo_Count	0
64972	Rotatable_Bond_Count	2
12202794	Defined_Bond_Stereo_Count	0
16404350	Structure_Complexity	2330
522065	Undefined_Atom_Stereo_Count	2
14960	Structure_Complexity	1620
9548590	Hydrogen_Bond_Acceptor_Count	4
5283381	Defined_Atom_Stereo_Count	0
9012	Hydrogen_Bond_Donor_Count	0
24868267	Undefined_Bond_Stereo_Count	0
66599893	Tautomer_Count	15
11950726	Isotope_Atom_Count	0
8747	Hydrogen_Bond_Acceptor_Count	2
75412563	Defined_Bond_Stereo_Count	0
66105	Molecular_Weight	354.4
56436	Rotatable_Bond_Count	5
66603768	Defined_Atom_Stereo_Count	2
11062432	Undefined_Atom_Stereo_Count	0
139086359	Total_Formal_Charge	0
53909396	Molecular_Weight	88.11
19933060	Structure_Complexity	60.5
163199229	Total_Formal_Charge	0
21210	Mono_Isotopic_Weight	132.115029749
25059	Defined_Atom_Stereo_Count	0
8050	Total_Formal_Charge	0
15216102	TPSA	49.3
5320	Hydrogen_Bond_Donor_Count	2
19835	Mono_Isotopic_Weight	160.146329876
1056	Isotope_Atom_Count	0
71	Non-hydrogen_Atom_Count	11
11346811	Rotatable_Bond_Count	10
13445099	Rotatable_Bond_Count	4
159199	Undefined_Bond_Stereo_Count	0
6881	Structure_Complexity	308
129849349	Covalent_Unit_Count	1
75049	Hydrogen_Bond_Donor_Count	1
345088	Undefined_Atom_Stereo_Count	0
6437875	Exact_Mass	215.09060590
8176	Isotope_Atom_Count	0
133082588	Hydrogen_Bond_Donor_Count	2
9942131	Non-hydrogen_Atom_Count	8
19903	Structure_Complexity	58.6
44480399	Defined_Atom_Stereo_Count	0
20775240	Hydrogen_Bond_Donor_Count	0
70150	Molecular_Weight	178.27
71272	Exact_Mass	392.02910
448812	Tautomer_Count	1000
71648	Hydrogen_Bond_Acceptor_Count	3
21998472	Mono_Isotopic_Weight	208.146329876
31679	Tautomer_Count	1
7652	Hydrogen_Bond_Donor_Count	0
52355	Covalent_Unit_Count	1
68100796	Undefined_Bond_Stereo_Count	0
9160	Exact_Mass	267.104799419
86632359	Undefined_Atom_Stereo_Count	1
70377524	Defined_Bond_Stereo_Count	0
60573	Exact_Mass	363.11978
44244962	Undefined_Bond_Stereo_Count	0
123628	Structure_Complexity	369
16722358	Non-hydrogen_Atom_Count	17
4996	Undefined_Atom_Stereo_Count	0
20129	Total_Formal_Charge	0
278	Molecular_Weight	141.02
68891	Mono_Isotopic_Weight	408.019911
16058317	Non-hydrogen_Atom_Count	91
72200721	Undefined_Bond_Stereo_Count	0
91942	XLogP3-AA	1.6
16682930	TPSA	0
142912303	Hydrogen_Bond_Acceptor_Count	2
2227	Defined_Atom_Stereo_Count	0
18087	Rotatable_Bond_Count	0
8396	Undefined_Atom_Stereo_Count	0
181749	Non-hydrogen_Atom_Count	7
71762	Undefined_Atom_Stereo_Count	8
22168583	Isotope_Atom_Count	0
11321106	TPSA	8.8
446873	Hydrogen_Bond_Donor_Count	4
88273595	Mono_Isotopic_Weight	116.058577502
88589624	Non-hydrogen_Atom_Count	47
7551	TPSA	38.3
31639	Total_Formal_Charge	0
83763	Covalent_Unit_Count	1
659009	Mono_Isotopic_Weight	313.14264148
159924	TPSA	92.1
83156	Defined_Atom_Stereo_Count	0
11636795	Hydrogen_Bond_Donor_Count	0
2132	Hydrogen_Bond_Donor_Count	3
65055	Rotatable_Bond_Count	5
7000	Covalent_Unit_Count	1
114961	TPSA	127
4418048	XLogP3	1
18776	Total_Formal_Charge	0
79060	Undefined_Atom_Stereo_Count	1
69912	Isotope_Atom_Count	0
164167667	Undefined_Atom_Stereo_Count	2
65923	Isotope_Atom_Count	0
54225123	Defined_Bond_Stereo_Count	0
7306	Defined_Bond_Stereo_Count	0
12719155	Exact_Mass	420.396730897
9810929	Defined_Atom_Stereo_Count	9
13166770	XLogP3-AA	1.5
53631972	Total_Formal_Charge	0
18380143	Undefined_Bond_Stereo_Count	0
37517	Non-hydrogen_Atom_Count	21
590130	Undefined_Atom_Stereo_Count	2
5568	Defined_Bond_Stereo_Count	0
18378694	Total_Formal_Charge	0
5487542	Isotope_Atom_Count	0
43436578	Total_Formal_Charge	0
8599	Hydrogen_Bond_Acceptor_Count	7
81450	Undefined_Bond_Stereo_Count	0
11708045	Defined_Bond_Stereo_Count	0
5544	Isotope_Atom_Count	0
42104317	TPSA	78.9
6391	TPSA	0
15184871	Exact_Mass	82.053098200
7705	Undefined_Atom_Stereo_Count	0
15321731	TPSA	24.1
13256	Hydrogen_Bond_Donor_Count	0
5359967	Mono_Isotopic_Weight	114.9038788
10239891	Hydrogen_Bond_Donor_Count	4
47319	Tautomer_Count	1
12217061	Molecular_Weight	97.12
564751	Mono_Isotopic_Weight	231.162314293
78090	Tautomer_Count	1
9794806	Hydrogen_Bond_Acceptor_Count	2
60698	TPSA	62.5
22062700	Mono_Isotopic_Weight	101.084063974
3651	Non-hydrogen_Atom_Count	11
3085023	Total_Formal_Charge	0
53380818	Covalent_Unit_Count	1
3810	Rotatable_Bond_Count	7
117791208	Structure_Complexity	57.7
3034658	Rotatable_Bond_Count	1
53441735	Undefined_Bond_Stereo_Count	0
17755	Molecular_Weight	102.13
124426477	Undefined_Bond_Stereo_Count	0
17563	Tautomer_Count	2
70383887	Defined_Atom_Stereo_Count	0
750190	TPSA	78.2
20949	Hydrogen_Bond_Donor_Count	1
65808	Rotatable_Bond_Count	13
15589	Rotatable_Bond_Count	2
4944	TPSA	47.6
70447	Defined_Bond_Stereo_Count	0
62923	Undefined_Bond_Stereo_Count	0
163578456	Defined_Atom_Stereo_Count	0
9356	Covalent_Unit_Count	1
76134	Exact_Mass	174.115698455
7431	Undefined_Bond_Stereo_Count	0
20517892	Mono_Isotopic_Weight	202.15689456
518962	Undefined_Bond_Stereo_Count	0
68292207	Isotope_Atom_Count	0
14010989	Defined_Atom_Stereo_Count	0
8080	Undefined_Bond_Stereo_Count	0
6604378	Hydrogen_Bond_Acceptor_Count	2
4458	Molecular_Weight	154.25
65786	TPSA	58.6
12509715	Isotope_Atom_Count	0
61143	Total_Formal_Charge	0
150736	Mono_Isotopic_Weight	204.06338810
5792	Rotatable_Bond_Count	2
2576591	Total_Formal_Charge	0
129806307	Molecular_Weight	113.11
6918003	Mono_Isotopic_Weight	348.1716891
25959	Molecular_Weight	211.95
78330	Mono_Isotopic_Weight	188.094963011
67668	Structure_Complexity	231
14761567	Hydrogen_Bond_Acceptor_Count	4
6364620	Undefined_Atom_Stereo_Count	5
68802	Covalent_Unit_Count	1
72139	Isotope_Atom_Count	0
24529	Molecular_Weight	47.014
6921	Mono_Isotopic_Weight	179.9953623
85979179	Molecular_Weight	83.09
77781	Structure_Complexity	152
62158	Hydrogen_Bond_Donor_Count	3
70685697	Total_Formal_Charge	0
117569443	Rotatable_Bond_Count	3
119032	Defined_Bond_Stereo_Count	0
91945062	Hydrogen_Bond_Acceptor_Count	1
11182588	Non-hydrogen_Atom_Count	8
71258	Exact_Mass	314.17427596
105426940	Hydrogen_Bond_Donor_Count	2
4271571	Undefined_Bond_Stereo_Count	0
65776	Defined_Bond_Stereo_Count	0
131668418	Exact_Mass	326.24570956
138106567	Covalent_Unit_Count	13
550811	Covalent_Unit_Count	1
6291886	Exact_Mass	269.0407907
4277439	Hydrogen_Bond_Donor_Count	1
5367785	Exact_Mass	236.177630004
5359371	Covalent_Unit_Count	1
65605	XLogP3	2.6
1967	Rotatable_Bond_Count	6
20243737	Hydrogen_Bond_Acceptor_Count	1
20545753	Hydrogen_Bond_Donor_Count	3
10246418	Isotope_Atom_Count	0
9579252	Undefined_Atom_Stereo_Count	0
23679632	Hydrogen_Bond_Donor_Count	1
439312	Molecular_Weight	180.16
3300	Covalent_Unit_Count	1
69389	Hydrogen_Bond_Acceptor_Count	1
133556498	Non-hydrogen_Atom_Count	43
138170	TPSA	0
4557	TPSA	40.5
21355780	Covalent_Unit_Count	1
5257090	Non-hydrogen_Atom_Count	20
18343309	Exact_Mass	154.98366143
72048	Total_Formal_Charge	0
53731118	Hydrogen_Bond_Acceptor_Count	1
14716	Hydrogen_Bond_Acceptor_Count	4
129726050	Exact_Mass	512.11299
65871	TPSA	113
27200	Covalent_Unit_Count	1
71462102	TPSA	62.2
9989239	TPSA	58.2
72214	Hydrogen_Bond_Acceptor_Count	7
12634653	Hydrogen_Bond_Acceptor_Count	0
157849	Isotope_Atom_Count	0
199402	Non-hydrogen_Atom_Count	85
42153	Structure_Complexity	247
631468	Non-hydrogen_Atom_Count	16
8413	Hydrogen_Bond_Acceptor_Count	2
5460308	Defined_Bond_Stereo_Count	0
19539	Total_Formal_Charge	0
15561185	XLogP3-AA	8.8
3015009	Tautomer_Count	1
991	TPSA	106
20056625	Mono_Isotopic_Weight	427.998507
60209624	Defined_Atom_Stereo_Count	0
4759	Non-hydrogen_Atom_Count	25
599239	Hydrogen_Bond_Donor_Count	0
10305301	Defined_Atom_Stereo_Count	1
6436015	Exact_Mass	390.1234015
272079	Defined_Atom_Stereo_Count	0
13507601	Hydrogen_Bond_Donor_Count	1
6451	Covalent_Unit_Count	1
14113	Defined_Bond_Stereo_Count	0
66537	Defined_Bond_Stereo_Count	0
139056	Total_Formal_Charge	0
758	Hydrogen_Bond_Acceptor_Count	31
20749	Isotope_Atom_Count	0
3340152	Defined_Atom_Stereo_Count	0
5238474	Defined_Atom_Stereo_Count	0
60196307	Exact_Mass	482.14871294
14260	Isotope_Atom_Count	0
14742703	XLogP3-AA	4.8
5489948	Non-hydrogen_Atom_Count	39
5282494	Isotope_Atom_Count	0
6328144	Hydrogen_Bond_Acceptor_Count	0
10434	Molecular_Weight	112.13
22465468	Hydrogen_Bond_Donor_Count	1
398700	Defined_Bond_Stereo_Count	0
29934831	Isotope_Atom_Count	0
23505018	Exact_Mass	116.083729621
651751	Total_Formal_Charge	0
47651	Undefined_Atom_Stereo_Count	0
124224929	Undefined_Atom_Stereo_Count	0
756	Rotatable_Bond_Count	1
135461939	Molecular_Weight	270.24
117768413	Structure_Complexity	151
135686255	Total_Formal_Charge	0
94179	Tautomer_Count	1
59567216	Covalent_Unit_Count	1
158432	Structure_Complexity	568
91753565	Hydrogen_Bond_Acceptor_Count	0
20465494	Structure_Complexity	84.1
11979961	Non-hydrogen_Atom_Count	148
60196343	Non-hydrogen_Atom_Count	46
21158	Molecular_Weight	86.13
22033763	Defined_Bond_Stereo_Count	0
13521790	Mono_Isotopic_Weight	116.083729621
6953	Hydrogen_Bond_Acceptor_Count	6
118197550	Exact_Mass	103.063328530
54521625	Molecular_Weight	112.13
1864	Exact_Mass	248.11609238
8177	Exact_Mass	162.125594432
53932534	Hydrogen_Bond_Donor_Count	1
9786	Undefined_Bond_Stereo_Count	0
7296	Covalent_Unit_Count	1
100094	Covalent_Unit_Count	1
163698895	Hydrogen_Bond_Donor_Count	2
2762647	Total_Formal_Charge	0
11420409	TPSA	103
68437	Tautomer_Count	1
211468	Hydrogen_Bond_Donor_Count	0
104048363	Mono_Isotopic_Weight	107.048347172
23671430	Hydrogen_Bond_Acceptor_Count	3
139073990	Structure_Complexity	415
146356470	Total_Formal_Charge	0
693507	Hydrogen_Bond_Acceptor_Count	4
9025	TPSA	18.5
15359	Hydrogen_Bond_Acceptor_Count	6
8313	Exact_Mass	353.848008
15214552	Hydrogen_Bond_Acceptor_Count	2
89421960	TPSA	29.5
514	Rotatable_Bond_Count	7
8494	Covalent_Unit_Count	1
167604	Hydrogen_Bond_Donor_Count	0
123555270	Total_Formal_Charge	0
877	Defined_Bond_Stereo_Count	0
163468867	Rotatable_Bond_Count	1
89036	Hydrogen_Bond_Donor_Count	2
135546352	Total_Formal_Charge	0
756	Undefined_Bond_Stereo_Count	0
91489367	Non-hydrogen_Atom_Count	23
15433	Hydrogen_Bond_Acceptor_Count	1
107349	Undefined_Bond_Stereo_Count	0
6436093	Structure_Complexity	470
20871316	Mono_Isotopic_Weight	112.088815002
8037	Molecular_Weight	116.20
3166	Defined_Atom_Stereo_Count	0
139585999	TPSA	115
8612	XLogP3	2.9
11840951	Undefined_Atom_Stereo_Count	0
65124	Undefined_Atom_Stereo_Count	0
91490	Structure_Complexity	201
6669	Rotatable_Bond_Count	2
11360680	Isotope_Atom_Count	0
90766	Covalent_Unit_Count	1
968625	TPSA	74.9
13546	Molecular_Weight	114.14
431751	Defined_Atom_Stereo_Count	0
12008703	Undefined_Atom_Stereo_Count	0
10582477	Molecular_Weight	223.23
5279171	Defined_Bond_Stereo_Count	0
442636	Undefined_Bond_Stereo_Count	0
13392742	Undefined_Atom_Stereo_Count	0
67978393	Total_Formal_Charge	0
11628328	Defined_Bond_Stereo_Count	0
2404	Undefined_Atom_Stereo_Count	1
71743842	Undefined_Atom_Stereo_Count	1
1549062	Non-hydrogen_Atom_Count	16
4752	Non-hydrogen_Atom_Count	55
9548619	Isotope_Atom_Count	0
84647614	Hydrogen_Bond_Acceptor_Count	3
81364	Defined_Bond_Stereo_Count	0
163468867	Undefined_Bond_Stereo_Count	0
10450027	Hydrogen_Bond_Donor_Count	8
7	Total_Formal_Charge	0
7016	XLogP3-AA	3.7
54475034	Covalent_Unit_Count	1
61341	Total_Formal_Charge	0
8015	Defined_Bond_Stereo_Count	0
235269	Undefined_Atom_Stereo_Count	0
312915	Total_Formal_Charge	0
49869877	Hydrogen_Bond_Donor_Count	2
96327587	Rotatable_Bond_Count	6
5062223	Undefined_Bond_Stereo_Count	0
104850	Total_Formal_Charge	0
8739	Mono_Isotopic_Weight	201.00957888
12623598	XLogP3-AA	0.4
9464	Mono_Isotopic_Weight	203.074642105
73425700	Defined_Atom_Stereo_Count	0
31041	Non-hydrogen_Atom_Count	18
9823	Undefined_Atom_Stereo_Count	0
11274968	Hydrogen_Bond_Donor_Count	0
57354313	Undefined_Bond_Stereo_Count	0
12607503	Molecular_Weight	96.13
400769	Exact_Mass	505.31920885
12369703	Defined_Atom_Stereo_Count	0
82751	Isotope_Atom_Count	0
63833	Structure_Complexity	638
6436924	Defined_Atom_Stereo_Count	0
12598088	Hydrogen_Bond_Acceptor_Count	1
49384	Undefined_Bond_Stereo_Count	0
4591	Hydrogen_Bond_Donor_Count	5
139026056	Defined_Atom_Stereo_Count	8
135495951	Exact_Mass	88.027277375
10975412	Isotope_Atom_Count	0
1664	Defined_Atom_Stereo_Count	0
71776101	Structure_Complexity	270
540877	Isotope_Atom_Count	0
131673820	Isotope_Atom_Count	0
164543616	Structure_Complexity	114
2898877	Isotope_Atom_Count	0
9901946	TPSA	60.9
134150175	Defined_Bond_Stereo_Count	0
24901210	Mono_Isotopic_Weight	497.1539906
90730816	Covalent_Unit_Count	1
2782351	Undefined_Bond_Stereo_Count	0
53793878	Covalent_Unit_Count	1
12434511	XLogP3-AA	0.1
5957	Isotope_Atom_Count	0
92023654	Molecular_Weight	665.7
27665	TPSA	12.9
54025111	Structure_Complexity	92
8805	Structure_Complexity	222
61361	XLogP3	2.8
12328	Covalent_Unit_Count	1
22639502	Undefined_Bond_Stereo_Count	0
13510025	Undefined_Atom_Stereo_Count	0
10986305	Undefined_Bond_Stereo_Count	0
16664362	Defined_Bond_Stereo_Count	0
23378923	XLogP3-AA	0.8
347476	Covalent_Unit_Count	1
46871497	XLogP3-AA	0.6
64459	Undefined_Bond_Stereo_Count	0
5326751	Undefined_Atom_Stereo_Count	0
10685477	Defined_Bond_Stereo_Count	0
93563	Isotope_Atom_Count	0
439196	Rotatable_Bond_Count	3
84975	Undefined_Atom_Stereo_Count	0
46911864	Defined_Bond_Stereo_Count	2
447466	Isotope_Atom_Count	0
4060	Hydrogen_Bond_Acceptor_Count	2
18620262	Defined_Bond_Stereo_Count	0
131750179	Molecular_Weight	1109.3
87962	Mono_Isotopic_Weight	205.146664230
280526	Defined_Atom_Stereo_Count	0
17208	Covalent_Unit_Count	1
75412563	Non-hydrogen_Atom_Count	11
24203	Rotatable_Bond_Count	0
23247721	Defined_Atom_Stereo_Count	2
65039	Mono_Isotopic_Weight	378.12494298
66102	TPSA	52.6
20056950	Isotope_Atom_Count	0
134338399	Mono_Isotopic_Weight	108.032362755
22086	Defined_Atom_Stereo_Count	0
16049377	TPSA	128
12873460	Isotope_Atom_Count	0
46907787	Undefined_Atom_Stereo_Count	0
72758138	Isotope_Atom_Count	0
13399110	Undefined_Bond_Stereo_Count	0
631271	Structure_Complexity	426
9828356	XLogP3-AA	1
67383967	Defined_Bond_Stereo_Count	0
5746387	Isotope_Atom_Count	0
11208	Mono_Isotopic_Weight	72.057514874
7142	Undefined_Atom_Stereo_Count	0
133728	XLogP3-AA	3.1
14079	Undefined_Bond_Stereo_Count	0
440266	Tautomer_Count	2
41599	Undefined_Atom_Stereo_Count	0
413534	Rotatable_Bond_Count	4
129670580	Defined_Atom_Stereo_Count	0
2933256	Covalent_Unit_Count	1
16132954	Isotope_Atom_Count	0
81099	Exact_Mass	137.084063974
146265392	Undefined_Atom_Stereo_Count	2
121891	Hydrogen_Bond_Acceptor_Count	3
124202907	Molecular_Weight	354.21
71117	Undefined_Atom_Stereo_Count	0
21803	Structure_Complexity	278
10026007	Non-hydrogen_Atom_Count	28
457825	Structure_Complexity	979
54420681	Mono_Isotopic_Weight	116.083729621
135814155	Undefined_Bond_Stereo_Count	0
115080007	TPSA	59.2
14528850	Exact_Mass	112.088815002
8718	TPSA	34.1
53787407	Structure_Complexity	65.1
191841	Hydrogen_Bond_Donor_Count	3
2734227	Isotope_Atom_Count	0
12550332	Non-hydrogen_Atom_Count	7
11788287	Undefined_Bond_Stereo_Count	0
18771155	Rotatable_Bond_Count	2
65970	TPSA	138
15826366	Undefined_Bond_Stereo_Count	0
57392505	Isotope_Atom_Count	0
9926832	Molecular_Weight	313.4
62209	Undefined_Atom_Stereo_Count	0
442993	Defined_Bond_Stereo_Count	0
86252	Tautomer_Count	2
13046623	Hydrogen_Bond_Acceptor_Count	1
24729360	XLogP3-AA	2.9
36382	Hydrogen_Bond_Acceptor_Count	1
11571555	Undefined_Bond_Stereo_Count	0
42796	Undefined_Bond_Stereo_Count	0
11115809	Structure_Complexity	2110
208832	Covalent_Unit_Count	1
77998	Covalent_Unit_Count	2
22027387	Undefined_Atom_Stereo_Count	0
78960	Structure_Complexity	103
3392711	TPSA	18.5
18393	Rotatable_Bond_Count	3
5695	Molecular_Weight	643.4
77117	Hydrogen_Bond_Acceptor_Count	3
99411	Total_Formal_Charge	0
24965990	Hydrogen_Bond_Donor_Count	0
7762	Rotatable_Bond_Count	4
54006622	Molecular_Weight	112.17
87844	Undefined_Bond_Stereo_Count	0
49853967	XLogP3-AA	2.9
245005	Undefined_Atom_Stereo_Count	1
3236	Mono_Isotopic_Weight	259.193614421
150855	Structure_Complexity	660
126664809	Total_Formal_Charge	0
5057599	Exact_Mass	629.06750493
93462	Defined_Atom_Stereo_Count	0
23574562	Isotope_Atom_Count	0
7454	Exact_Mass	277.87649
6875	Defined_Atom_Stereo_Count	0
10214378	Covalent_Unit_Count	1
53807546	Isotope_Atom_Count	0
19932705	Non-hydrogen_Atom_Count	8
118466088	Exact_Mass	108.032362755
12779729	Undefined_Bond_Stereo_Count	0
613952	Exact_Mass	238.110613074
90973	Defined_Atom_Stereo_Count	0
136648	Molecular_Weight	80.13
82646	Defined_Atom_Stereo_Count	0
66645351	Undefined_Bond_Stereo_Count	0
7705	Hydrogen_Bond_Acceptor_Count	0
83782	Undefined_Atom_Stereo_Count	0
5283381	XLogP3-AA	7.2
12313776	Undefined_Atom_Stereo_Count	0
19208	Covalent_Unit_Count	1
534496	Hydrogen_Bond_Donor_Count	0
18779032	Undefined_Atom_Stereo_Count	0
5829	TPSA	6.5
89127533	Molecular_Weight	115.13
10715	Undefined_Bond_Stereo_Count	0
12301054	TPSA	20.2
11783	Undefined_Atom_Stereo_Count	0
445678	Molecular_Weight	148.20
56927690	Hydrogen_Bond_Donor_Count	6
448972	Mono_Isotopic_Weight	433.1316954
89158693	Molecular_Weight	110.15
56928187	Non-hydrogen_Atom_Count	17
23506294	Undefined_Atom_Stereo_Count	1
9825084	Total_Formal_Charge	0
11199	Defined_Atom_Stereo_Count	0
95739	TPSA	63.3
4425	Hydrogen_Bond_Acceptor_Count	5
69440016	Total_Formal_Charge	0
25435	Defined_Atom_Stereo_Count	0
636399	Undefined_Atom_Stereo_Count	1
24901349	Covalent_Unit_Count	1
445	TPSA	32.3
406563	Defined_Bond_Stereo_Count	0
16129682	Hydrogen_Bond_Acceptor_Count	62
92326	Structure_Complexity	315
9883915	Isotope_Atom_Count	0
24680	Hydrogen_Bond_Acceptor_Count	1
439368	Mono_Isotopic_Weight	130.062994177
31401	Isotope_Atom_Count	0
86412	Undefined_Bond_Stereo_Count	0
17806836	Covalent_Unit_Count	1
11543	Defined_Bond_Stereo_Count	0
134506	Exact_Mass	288.208930132
413260	Undefined_Bond_Stereo_Count	0
17014	Undefined_Atom_Stereo_Count	0
123332	Total_Formal_Charge	1
6717	Structure_Complexity	461
86278165	Exact_Mass	788.152102
139081225	Total_Formal_Charge	0
10772946	Hydrogen_Bond_Donor_Count	0
12771867	Total_Formal_Charge	0
117476	Hydrogen_Bond_Acceptor_Count	2
90452	Isotope_Atom_Count	0
173799	Molecular_Weight	464.5
47509	Mono_Isotopic_Weight	256.1090889
6326976	Non-hydrogen_Atom_Count	7
76579279	Defined_Bond_Stereo_Count	0
16436	Defined_Bond_Stereo_Count	0
129735833	Non-hydrogen_Atom_Count	11
6438376	Isotope_Atom_Count	0
9912	Structure_Complexity	548
11396600	Covalent_Unit_Count	1
13199930	Non-hydrogen_Atom_Count	12
71432915	Total_Formal_Charge	0
53304446	Total_Formal_Charge	0
62097	XLogP3-AA	2.1
5893	Isotope_Atom_Count	0
10101	Tautomer_Count	6
470375	Undefined_Bond_Stereo_Count	0
68023775	XLogP3-AA	1
4753	XLogP3	0.9
76852230	Undefined_Atom_Stereo_Count	1
47387	Defined_Atom_Stereo_Count	0
3578945	Undefined_Atom_Stereo_Count	0
251513	Defined_Atom_Stereo_Count	0
70697627	Undefined_Atom_Stereo_Count	0
5464190	Exact_Mass	480.12496023
89202746	Total_Formal_Charge	0
6603320	Total_Formal_Charge	0
44336199	Defined_Atom_Stereo_Count	0
7020237	Defined_Atom_Stereo_Count	0
62731702	Rotatable_Bond_Count	1
13095	Total_Formal_Charge	0
668624	Total_Formal_Charge	0
128882	Tautomer_Count	3
70752	Non-hydrogen_Atom_Count	10
134820051	XLogP3-AA	2.5
25008	Structure_Complexity	83.4
2115	Molecular_Weight	224.15
14294923	Undefined_Atom_Stereo_Count	2
10564696	Isotope_Atom_Count	0
529212	Total_Formal_Charge	0
5355019	Undefined_Bond_Stereo_Count	0
13867380	Mono_Isotopic_Weight	113.00884817
87784	Mono_Isotopic_Weight	161.058911855
94647	Non-hydrogen_Atom_Count	12
71453749	Total_Formal_Charge	0
54151808	Total_Formal_Charge	0
459494	Rotatable_Bond_Count	4
59594973	XLogP3-AA	0.2
3083445	Undefined_Bond_Stereo_Count	0
213046	Defined_Bond_Stereo_Count	0
10597	Defined_Atom_Stereo_Count	0
44392229	Hydrogen_Bond_Donor_Count	1
78959	Total_Formal_Charge	0
9049	Molecular_Weight	251.71
965784	Exact_Mass	332.9959485
9396	Undefined_Bond_Stereo_Count	1
45830	Total_Formal_Charge	0
2714	Hydrogen_Bond_Donor_Count	0
2987927	Undefined_Atom_Stereo_Count	1
450484	Hydrogen_Bond_Acceptor_Count	6
71458869	Non-hydrogen_Atom_Count	34
129009973	Structure_Complexity	609
13214	Tautomer_Count	1
10076625	Hydrogen_Bond_Acceptor_Count	10
89759530	Non-hydrogen_Atom_Count	8
91026652	Exact_Mass	112.063662883
4025	TPSA	64.1
5282229	Undefined_Bond_Stereo_Count	0
2063927	Rotatable_Bond_Count	1
56673550	Total_Formal_Charge	0
59772	Undefined_Atom_Stereo_Count	0
452970	Rotatable_Bond_Count	2
12494777	Rotatable_Bond_Count	3
11148955	Hydrogen_Bond_Donor_Count	0
16211884	Mono_Isotopic_Weight	182.06663009
968081	Undefined_Bond_Stereo_Count	0
15294	Exact_Mass	164.047344113
5795	Covalent_Unit_Count	2
70977832	Mono_Isotopic_Weight	112.088815002
91260	Hydrogen_Bond_Acceptor_Count	2
3038481	Hydrogen_Bond_Donor_Count	1
129709636	Covalent_Unit_Count	1
87161809	Structure_Complexity	110
78446	Structure_Complexity	46.1
6329567	Hydrogen_Bond_Donor_Count	0
23681382	Rotatable_Bond_Count	1
64975	Hydrogen_Bond_Acceptor_Count	6
41022	Defined_Bond_Stereo_Count	0
6419	Covalent_Unit_Count	1
24820357	Undefined_Bond_Stereo_Count	0
11126188	Rotatable_Bond_Count	1
99516	Mono_Isotopic_Weight	416.32904526
457035	Exact_Mass	309.11650692
23695850	Undefined_Bond_Stereo_Count	0
48068	Non-hydrogen_Atom_Count	38
159	Defined_Bond_Stereo_Count	0
58806257	Mono_Isotopic_Weight	114.104465066
146719	Rotatable_Bond_Count	3
7472	Rotatable_Bond_Count	1
39212	Exact_Mass	491.18793473
91593552	Structure_Complexity	70.8
139024568	Total_Formal_Charge	0
13556	Structure_Complexity	56.6
21939031	Mono_Isotopic_Weight	97.027611728
26690	Mono_Isotopic_Weight	199.193614421
69242	Hydrogen_Bond_Acceptor_Count	0
6918286	Total_Formal_Charge	1
695314	Hydrogen_Bond_Acceptor_Count	4
59503407	Hydrogen_Bond_Acceptor_Count	6
163771360	Covalent_Unit_Count	1
123519634	Structure_Complexity	128
2322334	Total_Formal_Charge	0
24884361	Structure_Complexity	94.2
16129706	Defined_Bond_Stereo_Count	0
69980	Isotope_Atom_Count	0
67473	Hydrogen_Bond_Acceptor_Count	2
58621611	Total_Formal_Charge	0
2162	XLogP3	3
14885960	Tautomer_Count	3
11194306	Non-hydrogen_Atom_Count	8
221292	Structure_Complexity	116
193390	Total_Formal_Charge	0
12936897	Undefined_Atom_Stereo_Count	1
5280784	Covalent_Unit_Count	1
88800	Undefined_Bond_Stereo_Count	0
86186	Defined_Bond_Stereo_Count	0
10184774	Hydrogen_Bond_Acceptor_Count	6
57553	Mono_Isotopic_Weight	258.0326684
10975417	Molecular_Weight	99.17
135418174	Defined_Bond_Stereo_Count	0
46205408	TPSA	199
440784	Exact_Mass	590.31043507
74802	Mono_Isotopic_Weight	148.027277375
826477	Mono_Isotopic_Weight	334.1003540
11434915	Total_Formal_Charge	0
10168	Defined_Bond_Stereo_Count	0
16132269	Undefined_Atom_Stereo_Count	0
657073	Undefined_Atom_Stereo_Count	0
448042	Isotope_Atom_Count	0
80788	Mono_Isotopic_Weight	453.926795
42665	Covalent_Unit_Count	1
73921	Defined_Atom_Stereo_Count	0
54778	Defined_Bond_Stereo_Count	0
121275199	Defined_Bond_Stereo_Count	0
6871216	Defined_Atom_Stereo_Count	0
16449	TPSA	0
71308731	Hydrogen_Bond_Donor_Count	2
102402827	Covalent_Unit_Count	1
87927	Hydrogen_Bond_Donor_Count	0
161218	Hydrogen_Bond_Acceptor_Count	8
8797	Hydrogen_Bond_Donor_Count	0
121938	Undefined_Bond_Stereo_Count	0
520554	Tautomer_Count	1
17480032	Rotatable_Bond_Count	0
610978	Exact_Mass	209.95411
158796	Rotatable_Bond_Count	7
5361871	Defined_Atom_Stereo_Count	2
125286696	Covalent_Unit_Count	1
61503	Covalent_Unit_Count	1
10176216	Covalent_Unit_Count	4
70689447	Exact_Mass	472.12224
18965	Undefined_Bond_Stereo_Count	0
736500	Mono_Isotopic_Weight	162.01393598
97120	Molecular_Weight	255.40
16072155	Mono_Isotopic_Weight	582.3085169
56680337	Defined_Bond_Stereo_Count	0
53869568	Mono_Isotopic_Weight	111.068413911
129009962	Structure_Complexity	3480
5491989	Defined_Atom_Stereo_Count	4
87155	Total_Formal_Charge	0
155424	Mono_Isotopic_Weight	154.03784206
129852452	Rotatable_Bond_Count	8
9546757	Undefined_Atom_Stereo_Count	0
23305305	Defined_Atom_Stereo_Count	14
86472	Rotatable_Bond_Count	14
657055	Exact_Mass	180.06338810
78422661	Isotope_Atom_Count	0
31953	Total_Formal_Charge	0
131460	Undefined_Bond_Stereo_Count	0
28697	TPSA	45.8
44909	Exact_Mass	253.06774
12160932	Defined_Atom_Stereo_Count	0
97991	Mono_Isotopic_Weight	175.099714038
15932798	Structure_Complexity	101
49858374	Defined_Atom_Stereo_Count	0
2684	Covalent_Unit_Count	1
129864127	Undefined_Bond_Stereo_Count	0
177976	Mono_Isotopic_Weight	375.16818752
85489	TPSA	77.9
13443454	Structure_Complexity	84.2
1964	Undefined_Bond_Stereo_Count	1
59908032	XLogP3-AA	2.6
5458165	Non-hydrogen_Atom_Count	37
144750	Total_Formal_Charge	0
16122612	TPSA	17
5282768	Total_Formal_Charge	0
123258031	Mono_Isotopic_Weight	110.073164938
24870668	Defined_Atom_Stereo_Count	19
54012932	Exact_Mass	172.109944368
184934	Defined_Atom_Stereo_Count	0
11292963	XLogP3-AA	5.1
57400481	Structure_Complexity	824
90730816	Mono_Isotopic_Weight	83.073499291
124809080	Mono_Isotopic_Weight	527.23263824
54584751	Hydrogen_Bond_Acceptor_Count	7
71196	Undefined_Atom_Stereo_Count	0
60196316	Molecular_Weight	387.0
50128	Defined_Atom_Stereo_Count	0
11271730	Molecular_Weight	388.6
91528	TPSA	80.9
151592	Defined_Atom_Stereo_Count	0
199229	Undefined_Atom_Stereo_Count	2
57468	Defined_Atom_Stereo_Count	0
3050432	XLogP3-AA	2.9
2904	Exact_Mass	379.0427261
82993	Hydrogen_Bond_Donor_Count	0
22082840	Covalent_Unit_Count	1
2775311	Rotatable_Bond_Count	0
44590402	Non-hydrogen_Atom_Count	29
26350	Hydrogen_Bond_Acceptor_Count	3
6328163	Exact_Mass	500.0545926
68901306	Covalent_Unit_Count	1
6426849	Rotatable_Bond_Count	7
572516	Defined_Bond_Stereo_Count	0
44629585	Exact_Mass	537.38046644
60196384	Mono_Isotopic_Weight	283.07970
22386380	Hydrogen_Bond_Donor_Count	1
12395962	Defined_Atom_Stereo_Count	0
135413497	Total_Formal_Charge	0
292146	Total_Formal_Charge	0
2115	Tautomer_Count	1
20760783	Undefined_Bond_Stereo_Count	0
54761	Rotatable_Bond_Count	9
23663409	Structure_Complexity	372
10219384	Non-hydrogen_Atom_Count	5
56955186	Covalent_Unit_Count	1
121892	XLogP3-AA	2.8
11970143	Mono_Isotopic_Weight	4897.1470041
149784	Exact_Mass	277.19026037
60813	Undefined_Bond_Stereo_Count	0
45117195	Covalent_Unit_Count	1
135436538	Rotatable_Bond_Count	4
15287	TPSA	29.5
417452	Covalent_Unit_Count	1
129867899	Defined_Bond_Stereo_Count	1
124328800	Total_Formal_Charge	0
56666341	Total_Formal_Charge	0
11716	Mono_Isotopic_Weight	72.057514874
9548810	Isotope_Atom_Count	0
11597697	Mono_Isotopic_Weight	455.17599275
68511084	Mono_Isotopic_Weight	465.16542422
4340561	Molecular_Weight	123.18
91410	Undefined_Bond_Stereo_Count	0
84072909	Rotatable_Bond_Count	1
60654	Defined_Bond_Stereo_Count	0
54215450	Molecular_Weight	101.10
164164617	Hydrogen_Bond_Donor_Count	3
45467	Defined_Atom_Stereo_Count	0
10436952	Undefined_Atom_Stereo_Count	1
5314562	Covalent_Unit_Count	1
22220875	Defined_Bond_Stereo_Count	0
1241420	Exact_Mass	173.10519334
71072040	TPSA	53
156212	Hydrogen_Bond_Donor_Count	0
5059	Tautomer_Count	1
57174031	XLogP3	3.8
364849	Undefined_Bond_Stereo_Count	0
71459117	Defined_Atom_Stereo_Count	0
88631	Undefined_Atom_Stereo_Count	0
43184	Structure_Complexity	190
98042	Undefined_Bond_Stereo_Count	0
13450	Tautomer_Count	81
458186	Undefined_Atom_Stereo_Count	0
22411865	Molecular_Weight	336.12
5279171	Isotope_Atom_Count	0
25000	Exact_Mass	182.908829
5280794	Rotatable_Bond_Count	5
9570093	Defined_Atom_Stereo_Count	0
53846425	Undefined_Bond_Stereo_Count	2
7971	Mono_Isotopic_Weight	95.037113783
53970191	Defined_Atom_Stereo_Count	0
16051942	Covalent_Unit_Count	1
90016	Undefined_Bond_Stereo_Count	0
4195	TPSA	93.8
22170205	Molecular_Weight	357.8
23083536	Mono_Isotopic_Weight	110.109550447
11534927	Hydrogen_Bond_Acceptor_Count	7
5481350	Isotope_Atom_Count	0
483	Isotope_Atom_Count	0
81364	Isotope_Atom_Count	0
130128864	Rotatable_Bond_Count	0
580	Structure_Complexity	643
545093	Exact_Mass	86.073164938
57887199	Defined_Atom_Stereo_Count	0
20722796	Undefined_Atom_Stereo_Count	0
413546	Hydrogen_Bond_Donor_Count	0
12636118	Total_Formal_Charge	0
12295520	Undefined_Atom_Stereo_Count	0
6324599	Hydrogen_Bond_Donor_Count	1
11111	TPSA	148
14511	Defined_Bond_Stereo_Count	0
12075598	Exact_Mass	208.05177804
11974019	Defined_Bond_Stereo_Count	0
984170	Rotatable_Bond_Count	3
65987055	Non-hydrogen_Atom_Count	7
10265934	Rotatable_Bond_Count	3
54392263	Structure_Complexity	66.8
5906	Non-hydrogen_Atom_Count	12
9945189	Molecular_Weight	326.34
11815279	Molecular_Weight	80.13
23354329	Non-hydrogen_Atom_Count	8
16843	Defined_Atom_Stereo_Count	0
53675483	Exact_Mass	416.32904526
73115	Rotatable_Bond_Count	2
12170	Molecular_Weight	140.14
56643420	Structure_Complexity	457
18730079	Undefined_Bond_Stereo_Count	0
11953895	Mono_Isotopic_Weight	297.948962
10181729	Undefined_Bond_Stereo_Count	0
274426	Rotatable_Bond_Count	0
89769286	Rotatable_Bond_Count	2
54675840	Hydrogen_Bond_Donor_Count	2
69420	Covalent_Unit_Count	1
20259182	Exact_Mass	108.093900383
8443	Tautomer_Count	3
8425	Covalent_Unit_Count	1
70403801	Molecular_Weight	228.27
69332685	Covalent_Unit_Count	1
434207	Mono_Isotopic_Weight	342.04795251
9931954	TPSA	56.9
534922	Covalent_Unit_Count	1
3035016	Molecular_Weight	483.5
8682	TPSA	93.8
69158971	Defined_Atom_Stereo_Count	0
14008744	Mono_Isotopic_Weight	117.078978594
11686903	Covalent_Unit_Count	1
27909	Rotatable_Bond_Count	1
43678	Undefined_Bond_Stereo_Count	1
9855548	Hydrogen_Bond_Donor_Count	2
73801102	TPSA	46.2
837	Structure_Complexity	405
134687950	Exact_Mass	493.23118169
167725	Rotatable_Bond_Count	0
56593143	Molecular_Weight	400.5
154091501	Undefined_Bond_Stereo_Count	0
9993	Covalent_Unit_Count	1
151449	TPSA	20.2
465951	Rotatable_Bond_Count	4
21772	Covalent_Unit_Count	1
54757209	TPSA	107
71459167	TPSA	85.8
10685477	Isotope_Atom_Count	0
13761353	Defined_Bond_Stereo_Count	0
656612	Hydrogen_Bond_Donor_Count	0
39425	Defined_Bond_Stereo_Count	0
31277	Undefined_Bond_Stereo_Count	0
44452662	XLogP3-AA	2.9
24900874	TPSA	128
7752	Rotatable_Bond_Count	2
5777	Covalent_Unit_Count	1
130128864	Hydrogen_Bond_Acceptor_Count	2
87201	Mono_Isotopic_Weight	223.12084340
6411	Tautomer_Count	1
54207973	Defined_Atom_Stereo_Count	0
54475	Undefined_Bond_Stereo_Count	0
12444627	Defined_Bond_Stereo_Count	1
5282484	Hydrogen_Bond_Donor_Count	2
26314	Structure_Complexity	1410
7031	Non-hydrogen_Atom_Count	20
7111	Tautomer_Count	1
42632610	Total_Formal_Charge	0
2849	Hydrogen_Bond_Donor_Count	3
3435	Defined_Bond_Stereo_Count	0
9543082	Undefined_Bond_Stereo_Count	0
12201381	Defined_Bond_Stereo_Count	0
21493122	Mono_Isotopic_Weight	96.068748264
76720	TPSA	87.7
16683093	Mono_Isotopic_Weight	1055.93579
535824	Rotatable_Bond_Count	0
21935081	Undefined_Bond_Stereo_Count	0
498430	Hydrogen_Bond_Acceptor_Count	2
7288	Mono_Isotopic_Weight	86.073164938
129853	Undefined_Atom_Stereo_Count	1
628370	Mono_Isotopic_Weight	308.91677
15443631	Defined_Bond_Stereo_Count	0
81981	Total_Formal_Charge	0
5282468	Isotope_Atom_Count	0
53465	Hydrogen_Bond_Donor_Count	0
107526	Total_Formal_Charge	0
11147674	Defined_Atom_Stereo_Count	0
1052	Rotatable_Bond_Count	2
520721	XLogP3-AA	0.3
136183544	Hydrogen_Bond_Acceptor_Count	9
197942	Structure_Complexity	151
56668931	Mono_Isotopic_Weight	354.20557608
100937012	Rotatable_Bond_Count	0
89493247	Structure_Complexity	104
16058629	Defined_Bond_Stereo_Count	0
87906	Molecular_Weight	96.17
25868	Total_Formal_Charge	0
44	Molecular_Weight	118.04
61119	Hydrogen_Bond_Donor_Count	0
6540277	Defined_Atom_Stereo_Count	0
135431244	XLogP3-AA	0.1
442431	Rotatable_Bond_Count	6
33500	Undefined_Atom_Stereo_Count	0
101661938	Exact_Mass	662.10129752
12314510	Undefined_Bond_Stereo_Count	0
9973981	Tautomer_Count	1
19994812	Total_Formal_Charge	0
13566	Undefined_Bond_Stereo_Count	0
37854	Hydrogen_Bond_Donor_Count	1
54166403	TPSA	29.1
176870	Covalent_Unit_Count	1
20644244	Defined_Bond_Stereo_Count	0
87438804	Exact_Mass	104.094963011
75987092	Undefined_Atom_Stereo_Count	1
180624	Total_Formal_Charge	0
3068143	Hydrogen_Bond_Donor_Count	3
88317	XLogP3-AA	0.8
20793292	Rotatable_Bond_Count	0
123257569	Non-hydrogen_Atom_Count	8
10630437	Hydrogen_Bond_Donor_Count	0
133732	Undefined_Bond_Stereo_Count	0
21635253	Undefined_Atom_Stereo_Count	2
6539985	Covalent_Unit_Count	1
5287792	Structure_Complexity	497
5284456	Total_Formal_Charge	0
12634652	Undefined_Bond_Stereo_Count	0
4323	Isotope_Atom_Count	0
53470	Isotope_Atom_Count	0
65844	Undefined_Atom_Stereo_Count	1
40000	Rotatable_Bond_Count	4
162246	XLogP3-AA	4.7
153627081	Structure_Complexity	70.1
46861612	TPSA	54
5899068	Non-hydrogen_Atom_Count	20
100427	TPSA	61.4
5889665	Total_Formal_Charge	0
213021	Structure_Complexity	280
61181	Tautomer_Count	1
54475034	XLogP3-AA	0.1
65302	Structure_Complexity	1110
11683556	Defined_Atom_Stereo_Count	0
70686982	Rotatable_Bond_Count	6
23278143	Undefined_Atom_Stereo_Count	0
522769	Isotope_Atom_Count	0
92876	Mono_Isotopic_Weight	291.1156697
107780	Undefined_Atom_Stereo_Count	0
6527	Rotatable_Bond_Count	6
53834604	TPSA	18.5
23180086	Undefined_Bond_Stereo_Count	0
10232719	TPSA	47.1
39176	Molecular_Weight	114.19
1240	Tautomer_Count	9
31116	Tautomer_Count	8
17533	Covalent_Unit_Count	1
11742188	Mono_Isotopic_Weight	408.11437830
52949464	Defined_Atom_Stereo_Count	1
12508	Undefined_Bond_Stereo_Count	0
12269	Molecular_Weight	238.45
3607724	Hydrogen_Bond_Donor_Count	1
226288	Hydrogen_Bond_Donor_Count	1
24864821	Molecular_Weight	383.4
9183	Undefined_Bond_Stereo_Count	0
372267	Non-hydrogen_Atom_Count	20
17571562	Non-hydrogen_Atom_Count	47
62217	Exact_Mass	263.094628657
11623676	Hydrogen_Bond_Acceptor_Count	2
14283	Hydrogen_Bond_Acceptor_Count	1
18447	Hydrogen_Bond_Donor_Count	1
653145	Exact_Mass	320.15362070
7934	XLogP3	1.4
71456042	Non-hydrogen_Atom_Count	34
6433547	Defined_Atom_Stereo_Count	0
52918019	Structure_Complexity	367
78031	TPSA	94.9
3082221	Hydrogen_Bond_Acceptor_Count	5
11274980	TPSA	42.8
33778657	Undefined_Atom_Stereo_Count	0
605461	Undefined_Bond_Stereo_Count	0
87355672	TPSA	64.2
21602045	Isotope_Atom_Count	0
15932798	Undefined_Atom_Stereo_Count	0
73680	Rotatable_Bond_Count	11
643544	Structure_Complexity	80.2
60712	Hydrogen_Bond_Acceptor_Count	4
97770	Molecular_Weight	115.17
3015262	Total_Formal_Charge	0
76040	Hydrogen_Bond_Acceptor_Count	12
11042360	Defined_Atom_Stereo_Count	0
35267	Rotatable_Bond_Count	3
1578	Non-hydrogen_Atom_Count	16
26129	Rotatable_Bond_Count	0
67543	Undefined_Atom_Stereo_Count	0
11725766	XLogP3-AA	4.7
124202844	Non-hydrogen_Atom_Count	32
10993649	Total_Formal_Charge	0
3604	XLogP3-AA	1.8
10215	Undefined_Bond_Stereo_Count	0
60988	Mono_Isotopic_Weight	252.97147929
79122	Undefined_Atom_Stereo_Count	1
40466957	Total_Formal_Charge	0
108888	Exact_Mass	362.20932405
1356	Hydrogen_Bond_Donor_Count	5
69173085	Total_Formal_Charge	0
2973198	Undefined_Atom_Stereo_Count	2
122172945	TPSA	279
533460	Undefined_Bond_Stereo_Count	0
69334703	Defined_Atom_Stereo_Count	0
9892815	Undefined_Atom_Stereo_Count	0
136726	Undefined_Atom_Stereo_Count	2
710762	Defined_Bond_Stereo_Count	0
19879	Defined_Atom_Stereo_Count	0
14379227	Defined_Atom_Stereo_Count	0
6428543	XLogP3-AA	1.7
44419240	TPSA	93.4
12444299	Defined_Bond_Stereo_Count	0
78012803	Non-hydrogen_Atom_Count	24
4282864	Exact_Mass	868.02333415
15188270	Exact_Mass	83.073499291
565589	Undefined_Atom_Stereo_Count	2
14445624	Undefined_Bond_Stereo_Count	0
667550	Defined_Atom_Stereo_Count	1
16441	Covalent_Unit_Count	1
95162563	Non-hydrogen_Atom_Count	23
137278711	Defined_Bond_Stereo_Count	0
441278	Molecular_Weight	285.4
9806190	Tautomer_Count	42
43795	Exact_Mass	355.12805404
129628202	Structure_Complexity	1040
77832	Hydrogen_Bond_Acceptor_Count	3
9774	XLogP3	0.7
338733	Covalent_Unit_Count	1
657014	Rotatable_Bond_Count	0
12246933	Hydrogen_Bond_Acceptor_Count	3
24848177	Defined_Bond_Stereo_Count	1
439577	Hydrogen_Bond_Donor_Count	1
3001376	Rotatable_Bond_Count	13
642376	XLogP3-AA	3.2
168381	Total_Formal_Charge	0
14200855	Covalent_Unit_Count	1
16850	Hydrogen_Bond_Acceptor_Count	5
137699054	Structure_Complexity	107
73707684	Undefined_Atom_Stereo_Count	1
82718176	Mono_Isotopic_Weight	116.083729621
67277	Undefined_Atom_Stereo_Count	0
10046374	Defined_Atom_Stereo_Count	0
16197725	Defined_Bond_Stereo_Count	0
23783	Non-hydrogen_Atom_Count	24
12706145	Mono_Isotopic_Weight	112.088815002
33741	Structure_Complexity	282
3748774	Defined_Atom_Stereo_Count	0
14586	Rotatable_Bond_Count	0
119476	Tautomer_Count	1
10073306	Defined_Bond_Stereo_Count	0
97289	TPSA	20.2
11957593	TPSA	28.7
13005	Mono_Isotopic_Weight	112.052429494
57174031	Molecular_Weight	284.35
61060	Defined_Atom_Stereo_Count	3
7608	Defined_Atom_Stereo_Count	0
65815658	Total_Formal_Charge	0
9570639	Covalent_Unit_Count	1
5746249	Rotatable_Bond_Count	5
226057	Mono_Isotopic_Weight	269.120449483
72913	Total_Formal_Charge	0
551387	Defined_Bond_Stereo_Count	0
22344	Undefined_Atom_Stereo_Count	0
25201794	Non-hydrogen_Atom_Count	25
135457302	Isotope_Atom_Count	0
2383	Undefined_Atom_Stereo_Count	0
14097	Undefined_Bond_Stereo_Count	0
30973	TPSA	61.5
629365	Total_Formal_Charge	0
65758	XLogP3-AA	3
84647603	Isotope_Atom_Count	0
87468828	Hydrogen_Bond_Donor_Count	0
441328	Undefined_Atom_Stereo_Count	0
656612	Exact_Mass	370.0150477
19241	Undefined_Atom_Stereo_Count	0
6398764	Undefined_Atom_Stereo_Count	0
5486830	Defined_Atom_Stereo_Count	1
55113	Covalent_Unit_Count	1
443928	Mono_Isotopic_Weight	434.21046687
44246724	Rotatable_Bond_Count	4
545127	Hydrogen_Bond_Donor_Count	0
97842	Mono_Isotopic_Weight	170.130679813
2724163	Defined_Atom_Stereo_Count	0
6433266	Tautomer_Count	1
135422442	Defined_Bond_Stereo_Count	0
548521	XLogP3-AA	0.4
13483371	Defined_Atom_Stereo_Count	0
1973	Structure_Complexity	564
22013662	Isotope_Atom_Count	0
7794	Tautomer_Count	2
60335	Defined_Bond_Stereo_Count	0
4830	Isotope_Atom_Count	0
5281064	TPSA	195
69986	Total_Formal_Charge	0
108	Defined_Atom_Stereo_Count	0
131632305	Hydrogen_Bond_Acceptor_Count	5
25184868	Exact_Mass	154.135765193
15565709	Hydrogen_Bond_Acceptor_Count	4
54585373	Isotope_Atom_Count	0
102351	Covalent_Unit_Count	1
907991	Hydrogen_Bond_Acceptor_Count	5
70615	Defined_Bond_Stereo_Count	0
688145	Defined_Atom_Stereo_Count	0
7488	Covalent_Unit_Count	1
25160	Covalent_Unit_Count	1
118701498	Rotatable_Bond_Count	0
72171	Undefined_Bond_Stereo_Count	0
56619338	Non-hydrogen_Atom_Count	12
21884945	Undefined_Atom_Stereo_Count	0
16932	Hydrogen_Bond_Donor_Count	0
3086671	Covalent_Unit_Count	1
25137678	Defined_Atom_Stereo_Count	3
28003	Undefined_Bond_Stereo_Count	0
17833	Defined_Atom_Stereo_Count	0
8454	Undefined_Atom_Stereo_Count	0
11644097	TPSA	93
18338549	Exact_Mass	111.079647300
138125	Exact_Mass	84.093900383
9935073	Non-hydrogen_Atom_Count	32
44455730	Undefined_Atom_Stereo_Count	0
124918412	Covalent_Unit_Count	1
132252	TPSA	67.8
71825	Exact_Mass	256.109944368
13568632	Total_Formal_Charge	0
9989218	Structure_Complexity	68.6
136216662	Isotope_Atom_Count	0
162413	Molecular_Weight	186.29
36207	Rotatable_Bond_Count	5
21843609	Non-hydrogen_Atom_Count	7
3015009	Exact_Mass	34.99554627
5282517	Total_Formal_Charge	0
6713428	Hydrogen_Bond_Acceptor_Count	2
135413525	Exact_Mass	241.09635999
68846936	Defined_Bond_Stereo_Count	0
616642	Defined_Atom_Stereo_Count	0
68321815	Rotatable_Bond_Count	3
6232	Isotope_Atom_Count	0
11062312	Molecular_Weight	98.14
22574	Total_Formal_Charge	0
628397	Structure_Complexity	344
53738849	Molecular_Weight	112.09
55007	Hydrogen_Bond_Donor_Count	0
19028612	Mono_Isotopic_Weight	116.083729621
529031	Total_Formal_Charge	0
72200166	Mono_Isotopic_Weight	621.32523719
17163	TPSA	21.8
449293	TPSA	23.5
69396	Mono_Isotopic_Weight	117.078978594
55276371	Defined_Bond_Stereo_Count	0
155353470	Structure_Complexity	32.9
135742	Undefined_Bond_Stereo_Count	0
71512	Undefined_Bond_Stereo_Count	0
54569511	Undefined_Bond_Stereo_Count	0
439302	Structure_Complexity	1870
21881641	Exact_Mass	811.47314329
89359	Molecular_Weight	220.22
7996	Molecular_Weight	104.15
74080	Non-hydrogen_Atom_Count	8
84042	Hydrogen_Bond_Acceptor_Count	3
24233	Defined_Bond_Stereo_Count	0
99850	Hydrogen_Bond_Donor_Count	1
10077147	Defined_Bond_Stereo_Count	0
6992032	Non-hydrogen_Atom_Count	21
11083832	Mono_Isotopic_Weight	96.032362755
17989307	Exact_Mass	98.073164938
443878	Hydrogen_Bond_Acceptor_Count	8
20449316	Mono_Isotopic_Weight	151.08445790
44520830	Covalent_Unit_Count	1
6546	Isotope_Atom_Count	0
4917	Molecular_Weight	373.9
85904472	Hydrogen_Bond_Acceptor_Count	0
19754146	Molecular_Weight	210.23
12102501	Hydrogen_Bond_Acceptor_Count	3
12161	TPSA	0
454844	Defined_Bond_Stereo_Count	0
12609613	TPSA	20.2
24955007	Mono_Isotopic_Weight	566.1586568
8383	Undefined_Atom_Stereo_Count	0
398640	Structure_Complexity	584
79015	Exact_Mass	48.021129366
5460037	Hydrogen_Bond_Donor_Count	11
835411	Non-hydrogen_Atom_Count	21
151348	Total_Formal_Charge	0
22857281	Exact_Mass	157.104085577
81	Undefined_Bond_Stereo_Count	0
5189	XLogP3-AA	3.2
123942782	Defined_Atom_Stereo_Count	0
61739	Molecular_Weight	51.45
46304	Defined_Atom_Stereo_Count	0
45358438	Defined_Bond_Stereo_Count	1
6398969	Defined_Bond_Stereo_Count	0
91746262	Structure_Complexity	382
58877	XLogP3-AA	3.4
11977753	Mono_Isotopic_Weight	469.19026037
139758	Exact_Mass	164.156500638
102131130	Undefined_Atom_Stereo_Count	1
3776755	Hydrogen_Bond_Acceptor_Count	0
102601142	Total_Formal_Charge	0
137550	Undefined_Atom_Stereo_Count	0
101417753	TPSA	43.4
14109	Undefined_Bond_Stereo_Count	0
134826477	Structure_Complexity	1180
115171944	Hydrogen_Bond_Donor_Count	0
189821	Defined_Bond_Stereo_Count	0
9543050	Defined_Bond_Stereo_Count	1
15395	Undefined_Atom_Stereo_Count	0
82789	Total_Formal_Charge	0
4688	Molecular_Weight	159.23
87280117	Structure_Complexity	94.4
159199	Non-hydrogen_Atom_Count	9
54745	Hydrogen_Bond_Acceptor_Count	6
405741	Undefined_Atom_Stereo_Count	1
70609968	Rotatable_Bond_Count	1
23690449	Structure_Complexity	334
616631	Undefined_Bond_Stereo_Count	0
107377	TPSA	46.5
56935	Total_Formal_Charge	2
526	TPSA	365
12470257	Hydrogen_Bond_Acceptor_Count	2
3034756	Mono_Isotopic_Weight	344.17360725
9975824	Molecular_Weight	361.16
63096	Undefined_Atom_Stereo_Count	0
14484	Defined_Bond_Stereo_Count	0
119058	Defined_Bond_Stereo_Count	0
7516	Undefined_Bond_Stereo_Count	0
444627	Molecular_Weight	1118.8
88941292	Exact_Mass	112.063662883
133017	Isotope_Atom_Count	0
162839	Structure_Complexity	175
119047	Hydrogen_Bond_Donor_Count	0
9798098	Undefined_Atom_Stereo_Count	0
118209817	Undefined_Atom_Stereo_Count	0
12563	Defined_Atom_Stereo_Count	0
2021	Hydrogen_Bond_Donor_Count	5
546877	Hydrogen_Bond_Acceptor_Count	2
45356890	Covalent_Unit_Count	1
71808	Rotatable_Bond_Count	1
22581391	XLogP3-AA	4
5311093	Exact_Mass	417.32429423
68717	TPSA	56.8
56928060	Isotope_Atom_Count	0
12539007	Structure_Complexity	157
202195	Defined_Bond_Stereo_Count	0
39727	Hydrogen_Bond_Acceptor_Count	2
43366	Undefined_Bond_Stereo_Count	0
29025	Defined_Bond_Stereo_Count	0
5249	Covalent_Unit_Count	1
10507011	Defined_Atom_Stereo_Count	0
586156	Covalent_Unit_Count	1
60196419	Structure_Complexity	567
67172	Tautomer_Count	45
13177208	Total_Formal_Charge	0
37109	Mono_Isotopic_Weight	100.088815002
20820	Undefined_Atom_Stereo_Count	0
54565105	Molecular_Weight	96.17
13391	Structure_Complexity	135
548282	Total_Formal_Charge	0
87664346	Total_Formal_Charge	0
139086956	Defined_Bond_Stereo_Count	0
86739056	Covalent_Unit_Count	1
18757800	Structure_Complexity	126
59107469	Total_Formal_Charge	0
21159502	Undefined_Bond_Stereo_Count	0
7135	Hydrogen_Bond_Donor_Count	1
87075443	Defined_Bond_Stereo_Count	0
2747	Molecular_Weight	262.3
66636	Mono_Isotopic_Weight	232.08479225
5323984	XLogP3-AA	1.1
14907580	Defined_Atom_Stereo_Count	0
5370325	Structure_Complexity	329
5702144	Undefined_Atom_Stereo_Count	0
170254	Defined_Bond_Stereo_Count	0
46202081	Covalent_Unit_Count	1
1018	Hydrogen_Bond_Donor_Count	1
637668	Defined_Atom_Stereo_Count	0
91610	Hydrogen_Bond_Donor_Count	2
4395139	Hydrogen_Bond_Acceptor_Count	1
5765	TPSA	37.3
82325	Hydrogen_Bond_Acceptor_Count	8
54378536	Undefined_Atom_Stereo_Count	0
14709	Defined_Bond_Stereo_Count	0
88836	Defined_Atom_Stereo_Count	0
137240373	Total_Formal_Charge	0
581866	Molecular_Weight	128.56
16821	Rotatable_Bond_Count	7
9604	Tautomer_Count	1
25076512	Molecular_Weight	1634.8
21325775	TPSA	42.2
124426476	Total_Formal_Charge	0
558102	Total_Formal_Charge	0
2772	Exact_Mass	489.11515669
13371699	TPSA	214
99080	Defined_Bond_Stereo_Count	0
12398272	Non-hydrogen_Atom_Count	8
135403802	TPSA	107
6432105	Exact_Mass	326.199428076
123610	Undefined_Atom_Stereo_Count	5
11827	Hydrogen_Bond_Donor_Count	1
7124	Undefined_Atom_Stereo_Count	0
67258456	Mono_Isotopic_Weight	111.006876283
71459864	Covalent_Unit_Count	2
9281	Hydrogen_Bond_Donor_Count	0
62739	Rotatable_Bond_Count	3
54152337	Hydrogen_Bond_Donor_Count	4
3340552	Covalent_Unit_Count	1
11558904	Structure_Complexity	465
66359	Non-hydrogen_Atom_Count	23
25563891	Covalent_Unit_Count	1
124246	Structure_Complexity	665
23128	Structure_Complexity	115
6943	Defined_Atom_Stereo_Count	0
73241	Defined_Bond_Stereo_Count	0
80510	Defined_Atom_Stereo_Count	0
644006	Undefined_Bond_Stereo_Count	0
76152	Defined_Atom_Stereo_Count	0
5259899	Rotatable_Bond_Count	4
315411	Undefined_Bond_Stereo_Count	0
13000	Tautomer_Count	1
99646540	Exact_Mass	284.16237386
2758873	TPSA	8.8
55891	Defined_Atom_Stereo_Count	2
3114	Isotope_Atom_Count	0
79717	Defined_Bond_Stereo_Count	0
9234	Rotatable_Bond_Count	0
7831	Defined_Bond_Stereo_Count	0
11443	Structure_Complexity	265
687906	TPSA	69.6
2106897	Molecular_Weight	110.16
12805738	Structure_Complexity	144
88890	Mono_Isotopic_Weight	280.193948774
1335	Tautomer_Count	1
98733	Total_Formal_Charge	0
11150163	Undefined_Bond_Stereo_Count	0
59324	Hydrogen_Bond_Donor_Count	2
54601825	Rotatable_Bond_Count	7
91166883	Structure_Complexity	124
20774103	Undefined_Bond_Stereo_Count	0
71307528	Undefined_Atom_Stereo_Count	1
24737670	Hydrogen_Bond_Acceptor_Count	5
90878759	TPSA	24.7
9936727	Defined_Bond_Stereo_Count	0
3739	Total_Formal_Charge	0
13662384	Undefined_Bond_Stereo_Count	0
10329273	Rotatable_Bond_Count	0
15239624	Undefined_Atom_Stereo_Count	0
28950993	Non-hydrogen_Atom_Count	7
170049	Hydrogen_Bond_Donor_Count	4
57054	Defined_Atom_Stereo_Count	0
55861	Covalent_Unit_Count	1
13245709	Hydrogen_Bond_Acceptor_Count	1
8717	Isotope_Atom_Count	0
642799	Mono_Isotopic_Weight	170.96836
147246726	Undefined_Atom_Stereo_Count	3
56658432	TPSA	89.4
7673	Undefined_Bond_Stereo_Count	0
225936	Hydrogen_Bond_Acceptor_Count	2
45095	Structure_Complexity	367
25102937	Hydrogen_Bond_Acceptor_Count	12
31823	XLogP3-AA	5.5
2735101	Isotope_Atom_Count	0
70377524	Defined_Atom_Stereo_Count	0
20735704	Defined_Bond_Stereo_Count	0
6420038	Isotope_Atom_Count	0
9995236	Undefined_Bond_Stereo_Count	0
92649	XLogP3-AA	2.5
12200749	Undefined_Bond_Stereo_Count	0
123134537	Exact_Mass	898.1762920
198382	Exact_Mass	175.0400063
45227	Isotope_Atom_Count	0
84647615	Defined_Bond_Stereo_Count	0
6992099	Undefined_Bond_Stereo_Count	0
156963480	XLogP3-AA	1.8
5702065	Hydrogen_Bond_Donor_Count	1
27713	Molecular_Weight	271.74
76539	Total_Formal_Charge	0
13682918	Covalent_Unit_Count	1
9348	Undefined_Atom_Stereo_Count	0
12190	Defined_Bond_Stereo_Count	0
145755	Tautomer_Count	9
11598	Defined_Atom_Stereo_Count	0
551491	Molecular_Weight	99.09
69222	Undefined_Bond_Stereo_Count	0
13393280	Mono_Isotopic_Weight	104.094963011
10400	Structure_Complexity	76.4
69845357	Undefined_Bond_Stereo_Count	0
30487	Defined_Bond_Stereo_Count	0
5266	Molecular_Weight	843.1
68535	Undefined_Bond_Stereo_Count	0
641496	Rotatable_Bond_Count	0
24415	Undefined_Atom_Stereo_Count	0
50515	Undefined_Atom_Stereo_Count	0
36816	Structure_Complexity	401
7306	Defined_Atom_Stereo_Count	0
9871	Undefined_Atom_Stereo_Count	0
60921	Defined_Atom_Stereo_Count	0
176077	Structure_Complexity	132
112412	Defined_Atom_Stereo_Count	0
51951	Tautomer_Count	1
46936821	TPSA	228
4523333	Exact_Mass	151.039519081
96302	Hydrogen_Bond_Donor_Count	0
100094	Defined_Atom_Stereo_Count	2
86231890	Defined_Bond_Stereo_Count	0
5108383	Structure_Complexity	442
17827145	TPSA	24.4
11503692	Undefined_Bond_Stereo_Count	0
107794	Hydrogen_Bond_Donor_Count	5
54261087	TPSA	40.5
89770232	Non-hydrogen_Atom_Count	23
5935	Molecular_Weight	192.5
11632113	Rotatable_Bond_Count	7
693315	Rotatable_Bond_Count	5
183809	Undefined_Bond_Stereo_Count	0
46193078	Non-hydrogen_Atom_Count	20
43226	TPSA	46
193956	Isotope_Atom_Count	0
140172	Mono_Isotopic_Weight	96.032362755
4829	Exact_Mass	356.11946368
445420	Non-hydrogen_Atom_Count	29
6484	Undefined_Atom_Stereo_Count	0
53990905	Mono_Isotopic_Weight	111.043261792
625	Rotatable_Bond_Count	8
15566577	Total_Formal_Charge	0
6438129	Mono_Isotopic_Weight	405.12460863
23707296	Hydrogen_Bond_Donor_Count	1
140249	Defined_Bond_Stereo_Count	0
138372	TPSA	42.5
5282443	Structure_Complexity	336
57242	Exact_Mass	246.18444672
145802	Defined_Atom_Stereo_Count	0
10236037	TPSA	63.3
9928181	Hydrogen_Bond_Donor_Count	3
533909	Isotope_Atom_Count	0
16051	Defined_Atom_Stereo_Count	0
105000	Mono_Isotopic_Weight	301.17902698
62510	Tautomer_Count	1
82418996	Molecular_Weight	109.09
134694981	Rotatable_Bond_Count	8
11672461	Structure_Complexity	1130
24663	Undefined_Bond_Stereo_Count	0
52945793	Non-hydrogen_Atom_Count	30
39801	Total_Formal_Charge	0
23277878	Defined_Bond_Stereo_Count	0
53717135	Exact_Mass	98.073164938
8142	Hydrogen_Bond_Acceptor_Count	0
10778228	Hydrogen_Bond_Acceptor_Count	3
372978	Undefined_Bond_Stereo_Count	0
67296	Undefined_Atom_Stereo_Count	0
13347373	Hydrogen_Bond_Acceptor_Count	2
3661	Hydrogen_Bond_Acceptor_Count	4
70695640	TPSA	0
125017	Hydrogen_Bond_Donor_Count	2
62731702	Exact_Mass	112.063662883
13559281	Hydrogen_Bond_Acceptor_Count	4
124085867	Non-hydrogen_Atom_Count	32
590707	Covalent_Unit_Count	1
12075598	Rotatable_Bond_Count	0
129652927	Total_Formal_Charge	0
56678998	TPSA	89.4
23673837	Undefined_Bond_Stereo_Count	0
5282340	Tautomer_Count	1
47510	Non-hydrogen_Atom_Count	16
149164152	Structure_Complexity	136
4686860	Defined_Atom_Stereo_Count	0
134688930	Undefined_Bond_Stereo_Count	0
155649598	TPSA	34
42884	Structure_Complexity	433
6951129	Defined_Bond_Stereo_Count	0
5362051	Mono_Isotopic_Weight	636.15196282
86218	Undefined_Atom_Stereo_Count	1
1466	Hydrogen_Bond_Donor_Count	2
10061	Hydrogen_Bond_Acceptor_Count	4
22628430	Hydrogen_Bond_Donor_Count	0
12656387	Rotatable_Bond_Count	0
55241	Tautomer_Count	1
85296	Exact_Mass	147.08301860
56949747	Exact_Mass	417.20524173
44422352	Structure_Complexity	821
59277772	Defined_Atom_Stereo_Count	0
81226	Total_Formal_Charge	0
14236	Covalent_Unit_Count	1
83656	Defined_Atom_Stereo_Count	0
13708	Defined_Atom_Stereo_Count	0
13923	Undefined_Bond_Stereo_Count	0
6148	Mono_Isotopic_Weight	275.188529040
90425973	Hydrogen_Bond_Donor_Count	1
54418364	TPSA	26.3
516356	Structure_Complexity	904
9802865	Hydrogen_Bond_Acceptor_Count	6
11865423	Non-hydrogen_Atom_Count	25
21870	Total_Formal_Charge	0
37183	Exact_Mass	46.016712692
637920	Rotatable_Bond_Count	1
6133	Hydrogen_Bond_Donor_Count	7
53898601	Molecular_Weight	116.16
10159630	Undefined_Bond_Stereo_Count	0
10221470	Molecular_Weight	284.35
54727975	Rotatable_Bond_Count	4
6971042	Hydrogen_Bond_Donor_Count	4
123620036	Isotope_Atom_Count	0
266742	Undefined_Bond_Stereo_Count	0
68258	Undefined_Bond_Stereo_Count	0
42808	Exact_Mass	155.930033
15706803	Isotope_Atom_Count	0
464	Mono_Isotopic_Weight	179.058243149
557021	Undefined_Bond_Stereo_Count	0
454	XLogP3-AA	2.7
487856	Undefined_Bond_Stereo_Count	0
1711921	XLogP3-AA	0.4
135423375	XLogP3-AA	2.6
11830	Hydrogen_Bond_Acceptor_Count	3
545422	Defined_Bond_Stereo_Count	0
25210	Undefined_Bond_Stereo_Count	0
21330	Covalent_Unit_Count	1
15174357	Molecular_Weight	114.19
5284476	Molecular_Weight	197.24
81946	Covalent_Unit_Count	1
8714	Hydrogen_Bond_Donor_Count	6
135415564	XLogP3-AA	5.6
10020226	Molecular_Weight	341.79
16497	Non-hydrogen_Atom_Count	11
154655788	Defined_Atom_Stereo_Count	0
164575	Undefined_Bond_Stereo_Count	0
64334	Hydrogen_Bond_Acceptor_Count	2
165363357	Isotope_Atom_Count	0
129651417	Exact_Mass	163.0188769
60196412	Exact_Mass	587.28183511
10336	Rotatable_Bond_Count	1
15649173	Exact_Mass	103.099714038
5325710	Undefined_Bond_Stereo_Count	0
58501	Defined_Atom_Stereo_Count	0
5174	XLogP3	3.7
12757	Mono_Isotopic_Weight	110.109550447
54391876	Covalent_Unit_Count	1
105746	Structure_Complexity	148
165687912	Undefined_Bond_Stereo_Count	0
11347670	Undefined_Bond_Stereo_Count	0
46780884	Total_Formal_Charge	0
123920	Hydrogen_Bond_Donor_Count	1
69341756	Non-hydrogen_Atom_Count	8
51397515	Hydrogen_Bond_Acceptor_Count	12
135476260	Hydrogen_Bond_Donor_Count	8
112711232	Undefined_Atom_Stereo_Count	0
21715587	Exact_Mass	110.048012819
91439	XLogP3-AA	6.5
54697325	Defined_Bond_Stereo_Count	0
972025	Non-hydrogen_Atom_Count	20
123208701	Undefined_Atom_Stereo_Count	3
26445	Non-hydrogen_Atom_Count	8
77372	Covalent_Unit_Count	1
20514195	Exact_Mass	103.063328530
54338696	Structure_Complexity	162
2903	Hydrogen_Bond_Acceptor_Count	1
734215	Mono_Isotopic_Weight	321.0323340
5464263	Undefined_Bond_Stereo_Count	0
283	XLogP3-AA	0.5
45085029	Defined_Atom_Stereo_Count	0
12523	Rotatable_Bond_Count	13
439998	Molecular_Weight	290.27
81325	Isotope_Atom_Count	0
439744	Mono_Isotopic_Weight	306.97054
15004	Defined_Bond_Stereo_Count	0
39971	Total_Formal_Charge	0
89405665	Mono_Isotopic_Weight	102.079312947
11731903	Exact_Mass	391.00951716
1549018	Mono_Isotopic_Weight	164.120115130
1010	Mono_Isotopic_Weight	339.04676603
444000	Molecular_Weight	564.3
44720578	Covalent_Unit_Count	1
44563145	Molecular_Weight	382.4
542892	Non-hydrogen_Atom_Count	8
14392758	Undefined_Bond_Stereo_Count	0
628370	Defined_Atom_Stereo_Count	0
6539029	Covalent_Unit_Count	1
499953	Covalent_Unit_Count	1
63245	Defined_Bond_Stereo_Count	0
29701	Total_Formal_Charge	0
2622	Total_Formal_Charge	0
72545257	Molecular_Weight	468.2
91986	Defined_Bond_Stereo_Count	0
96522	Molecular_Weight	151.16
90125683	XLogP3-AA	2.4
135430945	Defined_Bond_Stereo_Count	0
65874	XLogP3-AA	2.6
78485	Structure_Complexity	17.6
141168949	XLogP3-AA	0.7
79137	TPSA	35.5
90735654	Exact_Mass	106.078250319
11952498	Isotope_Atom_Count	0
81426	Undefined_Bond_Stereo_Count	0
153939154	Hydrogen_Bond_Donor_Count	0
44565798	XLogP3-AA	1.7
54605802	Total_Formal_Charge	0
9887844	Hydrogen_Bond_Acceptor_Count	5
441337	Undefined_Bond_Stereo_Count	0
54267	Structure_Complexity	13.1
6852400	Molecular_Weight	398.0
68321895	Undefined_Bond_Stereo_Count	0
140979598	Defined_Bond_Stereo_Count	0
10233356	Non-hydrogen_Atom_Count	45
21474	Exact_Mass	230.105527694
11194304	TPSA	28.7
8794	Structure_Complexity	114
54186	Non-hydrogen_Atom_Count	24
18430	Hydrogen_Bond_Acceptor_Count	1
4369413	Defined_Bond_Stereo_Count	0
66700172	Mono_Isotopic_Weight	116.083729621
141282199	Undefined_Atom_Stereo_Count	2
41743	Rotatable_Bond_Count	2
160743752	Hydrogen_Bond_Donor_Count	0
54255838	Molecular_Weight	116.11
62871	TPSA	61.3
616573	Hydrogen_Bond_Donor_Count	1
91738	Hydrogen_Bond_Donor_Count	1
95483	Undefined_Atom_Stereo_Count	1
154108049	Structure_Complexity	156
57505392	Defined_Bond_Stereo_Count	0
2729	Defined_Bond_Stereo_Count	0
12729368	TPSA	33
141344	Defined_Bond_Stereo_Count	0
119307	TPSA	140
64737	TPSA	32.3
177843	Molecular_Weight	404.1
859	TPSA	221
9526	Isotope_Atom_Count	0
20	Exact_Mass	182.05790880
445395	Hydrogen_Bond_Acceptor_Count	11
15982149	XLogP3-AA	0.2
122376379	XLogP3-AA	6.3
135491830	Mono_Isotopic_Weight	327.18681496
19743370	Covalent_Unit_Count	1
168928	Structure_Complexity	878
55284642	Molecular_Weight	82.10
17162	Hydrogen_Bond_Donor_Count	0
13898	XLogP3-AA	2.7
53999929	Molecular_Weight	113.07
119095461	Non-hydrogen_Atom_Count	7
9906	Covalent_Unit_Count	1
5282437	Structure_Complexity	1060
2790	XLogP3-AA	3
60789	Undefined_Atom_Stereo_Count	0
21093784	XLogP3-AA	2.7
16413917	Molecular_Weight	713.1
86747	Exact_Mass	412.370516150
945090	Covalent_Unit_Count	1
33637	Total_Formal_Charge	0
57306415	Undefined_Atom_Stereo_Count	0
20469	Covalent_Unit_Count	1
3085416	Molecular_Weight	875.1
153685445	Exact_Mass	95.073499291
9543216	Hydrogen_Bond_Acceptor_Count	4
66755	Undefined_Bond_Stereo_Count	0
19974934	Non-hydrogen_Atom_Count	8
76693	XLogP3-AA	4.5
17750388	Structure_Complexity	69.7
59743204	Mono_Isotopic_Weight	99.104799419
5281521	Hydrogen_Bond_Acceptor_Count	1
60152109	Undefined_Bond_Stereo_Count	0
13275542	XLogP3-AA	0.6
9639	Structure_Complexity	319
154392753	Rotatable_Bond_Count	1
2585	Defined_Bond_Stereo_Count	0
36679	Hydrogen_Bond_Acceptor_Count	1
13217239	Defined_Atom_Stereo_Count	0
17880	Defined_Bond_Stereo_Count	0
21896450	Mono_Isotopic_Weight	111.032028402
130796	Rotatable_Bond_Count	4
637584	Undefined_Atom_Stereo_Count	0
55288089	Mono_Isotopic_Weight	111.068413911
7556	Defined_Bond_Stereo_Count	0
7043	Hydrogen_Bond_Donor_Count	0
10080341	Rotatable_Bond_Count	0
5197257	Undefined_Bond_Stereo_Count	0
10665	Undefined_Bond_Stereo_Count	0
636367	Molecular_Weight	193.15
20188118	Hydrogen_Bond_Donor_Count	0
6458	Non-hydrogen_Atom_Count	20
16637	Hydrogen_Bond_Acceptor_Count	1
2609	Total_Formal_Charge	0
15207340	Exact_Mass	118.099379685
11628328	Structure_Complexity	962
551778	Structure_Complexity	67.9
25182616	Defined_Bond_Stereo_Count	0
135505	Defined_Bond_Stereo_Count	0
69932654	Defined_Bond_Stereo_Count	0
44410869	Molecular_Weight	459.9
15920952	Total_Formal_Charge	0
13996773	TPSA	29.6
66193	Molecular_Weight	174.19
704233	Undefined_Atom_Stereo_Count	0
136898365	Isotope_Atom_Count	1
80426	Undefined_Atom_Stereo_Count	0
8562	Non-hydrogen_Atom_Count	19
4636051	Mono_Isotopic_Weight	385.94736
25254	Non-hydrogen_Atom_Count	6
1481733	Hydrogen_Bond_Donor_Count	2
4173327	Undefined_Bond_Stereo_Count	0
6537197	Tautomer_Count	2
16664362	Defined_Atom_Stereo_Count	0
6435500	Hydrogen_Bond_Acceptor_Count	7
5177	Structure_Complexity	747
7294	Undefined_Atom_Stereo_Count	0
72487	Exact_Mass	177.090211983
66714960	Undefined_Atom_Stereo_Count	0
693802	Isotope_Atom_Count	0
71402	Non-hydrogen_Atom_Count	30
44565798	TPSA	100
167232	Defined_Atom_Stereo_Count	0
65663	TPSA	97
5362792	Molecular_Weight	142.24
90657669	Undefined_Atom_Stereo_Count	0
638793	Defined_Atom_Stereo_Count	8
70783	Isotope_Atom_Count	0
441289	Molecular_Weight	572.9
57394706	Defined_Atom_Stereo_Count	0
6977166	Hydrogen_Bond_Donor_Count	0
72734319	Undefined_Atom_Stereo_Count	0
2565	Defined_Atom_Stereo_Count	0
102533943	XLogP3-AA	0.2
107169	Hydrogen_Bond_Acceptor_Count	1
2146	Isotope_Atom_Count	0
149086	Undefined_Atom_Stereo_Count	0
9571	Defined_Bond_Stereo_Count	0
54587656	Covalent_Unit_Count	1
79506	Mono_Isotopic_Weight	126.104465066
14066	Hydrogen_Bond_Acceptor_Count	2
12377442	Undefined_Bond_Stereo_Count	0
25074469	Hydrogen_Bond_Acceptor_Count	21
3246390	TPSA	93.4
10972	Tautomer_Count	3
2202	Total_Formal_Charge	0
13765	Undefined_Atom_Stereo_Count	0
139975	Total_Formal_Charge	0
631271	Molecular_Weight	344.4
521207	Isotope_Atom_Count	0
12717	Undefined_Bond_Stereo_Count	0
5880	Total_Formal_Charge	0
20472522	Mono_Isotopic_Weight	94.078250319
170254	Isotope_Atom_Count	0
71210615	Structure_Complexity	382
73174	Non-hydrogen_Atom_Count	17
71342	Hydrogen_Bond_Acceptor_Count	4
441411	Molecular_Weight	219.66
100959353	Rotatable_Bond_Count	7
5142487	XLogP3-AA	0.6
648	Hydrogen_Bond_Donor_Count	3
17925	TPSA	41.5
12151528	Hydrogen_Bond_Acceptor_Count	2
49798481	Mono_Isotopic_Weight	432.19098865
699571	Non-hydrogen_Atom_Count	17
15875	Undefined_Bond_Stereo_Count	0
82588	Tautomer_Count	2
14813	Mono_Isotopic_Weight	321.78220
12548640	Hydrogen_Bond_Acceptor_Count	2
85538176	Defined_Atom_Stereo_Count	0
136750	Rotatable_Bond_Count	1
6539003	Defined_Bond_Stereo_Count	0
135512673	Covalent_Unit_Count	1
104865	Structure_Complexity	839
131634760	Defined_Bond_Stereo_Count	0
140990	Exact_Mass	94.078250319
3452	Tautomer_Count	1
60196394	Isotope_Atom_Count	0
20650455	Non-hydrogen_Atom_Count	6
159671	Exact_Mass	236.061382
9952446	Exact_Mass	392.15699200
135988	Undefined_Atom_Stereo_Count	0
102390049	Non-hydrogen_Atom_Count	25
547676	Isotope_Atom_Count	0
94671	Undefined_Atom_Stereo_Count	0
146159143	Undefined_Bond_Stereo_Count	1
13401731	Molecular_Weight	83.13
30773	Hydrogen_Bond_Acceptor_Count	6
10351092	Undefined_Bond_Stereo_Count	0
260716	Covalent_Unit_Count	1
59296090	Defined_Atom_Stereo_Count	1
32226	Hydrogen_Bond_Donor_Count	0
75498	Defined_Bond_Stereo_Count	0
65249	Molecular_Weight	147.13
476	Non-hydrogen_Atom_Count	14
3350	Hydrogen_Bond_Donor_Count	2
20560	Hydrogen_Bond_Donor_Count	1
6851740	Non-hydrogen_Atom_Count	37
54303301	XLogP3-AA	2.7
216281	Mono_Isotopic_Weight	193.110278721
8359	Isotope_Atom_Count	0
77051	Exact_Mass	190.062994177
9958188	Covalent_Unit_Count	1
101658	Total_Formal_Charge	0
5288252	Total_Formal_Charge	0
21737	Isotope_Atom_Count	0
137379058	Molecular_Weight	254.4
36431	TPSA	69.6
9794197	Rotatable_Bond_Count	3
96796	Covalent_Unit_Count	1
75240	Total_Formal_Charge	0
54610537	Covalent_Unit_Count	2
13347992	Rotatable_Bond_Count	0
6999109	Undefined_Atom_Stereo_Count	0
163646941	Exact_Mass	101.084063974
28332	Total_Formal_Charge	0
30971	Isotope_Atom_Count	0
24987688	Defined_Atom_Stereo_Count	8
23724510	Total_Formal_Charge	0
87386545	Hydrogen_Bond_Donor_Count	2
58197	Total_Formal_Charge	0
10949861	Non-hydrogen_Atom_Count	1
77470	Undefined_Bond_Stereo_Count	0
51082	Molecular_Weight	517.4
25058186	Molecular_Weight	448.5
436520	TPSA	3.2
12370	Exact_Mass	110.109550447
250096	Isotope_Atom_Count	0
708625	Defined_Bond_Stereo_Count	0
60246	Molecular_Weight	373.9
72732196	Total_Formal_Charge	0
22203	Non-hydrogen_Atom_Count	24
38012	XLogP3	6.5
53967	Hydrogen_Bond_Acceptor_Count	3
163285375	Hydrogen_Bond_Acceptor_Count	13
638278	TPSA	77.8
88553883	Undefined_Bond_Stereo_Count	0
3567443	XLogP3-AA	2.3
16048558	TPSA	35.5
3889	Mono_Isotopic_Weight	520.10124741
8067	Hydrogen_Bond_Acceptor_Count	1
17040	Covalent_Unit_Count	1
9548889	Defined_Atom_Stereo_Count	0
257761	Hydrogen_Bond_Acceptor_Count	7
20382009	Exact_Mass	112.088815002
137994	Covalent_Unit_Count	1
78422631	Non-hydrogen_Atom_Count	14
141545	Mono_Isotopic_Weight	109.089149355
13682918	Structure_Complexity	95.7
70682196	Mono_Isotopic_Weight	412.18992602
2748718	Mono_Isotopic_Weight	218.04399007
5362620	Isotope_Atom_Count	0
70480850	Total_Formal_Charge	0
800	Undefined_Bond_Stereo_Count	0
13804	Molecular_Weight	488.32
55004	Structure_Complexity	63.3
138323	Exact_Mass	98.073164938
55011	Exact_Mass	200.01297080
20097868	Structure_Complexity	98.2
12146	XLogP3-AA	1.9
10822	Hydrogen_Bond_Acceptor_Count	1
10317	Hydrogen_Bond_Donor_Count	2
11287722	Tautomer_Count	3
23960	Isotope_Atom_Count	0
15174929	Defined_Bond_Stereo_Count	0
14912114	Molecular_Weight	106.16
2723706	XLogP3-AA	1.2
2803172	Exact_Mass	223.08579531
3205	Molecular_Weight	478.6
11715166	Undefined_Atom_Stereo_Count	0
137658	Defined_Atom_Stereo_Count	0
15926139	Undefined_Atom_Stereo_Count	0
22472382	Molecular_Weight	113.11
10132844	Isotope_Atom_Count	0
68322184	Isotope_Atom_Count	0
738952	Total_Formal_Charge	0
4293	Defined_Atom_Stereo_Count	0
11315474	Defined_Bond_Stereo_Count	0
8969	Rotatable_Bond_Count	2
9286	Non-hydrogen_Atom_Count	15
44392105	Undefined_Atom_Stereo_Count	0
5560	Defined_Bond_Stereo_Count	0
2730	Undefined_Bond_Stereo_Count	0
9862646	Undefined_Bond_Stereo_Count	0
810229	Rotatable_Bond_Count	7
59481545	Total_Formal_Charge	0
50925625	Defined_Bond_Stereo_Count	0
10634	TPSA	40.5
174174	Undefined_Bond_Stereo_Count	0
141429324	XLogP3-AA	0.5
15910	Hydrogen_Bond_Acceptor_Count	2
443955	Molecular_Weight	350.5
445750	Undefined_Atom_Stereo_Count	0
53473572	XLogP3-AA	7.1
21684469	Hydrogen_Bond_Acceptor_Count	3
14197638	Molecular_Weight	109.13
36082	Defined_Atom_Stereo_Count	0
8936	Rotatable_Bond_Count	10
31390	Defined_Atom_Stereo_Count	0
12536263	TPSA	67.2
82131	Mono_Isotopic_Weight	213.96294
168354	Exact_Mass	134.094294304
57568	Molecular_Weight	211.30
124921374	Covalent_Unit_Count	1
54562506	Non-hydrogen_Atom_Count	8
154266294	Rotatable_Bond_Count	1
743681	TPSA	116
119499	Non-hydrogen_Atom_Count	13
24759	Hydrogen_Bond_Donor_Count	14
130035	Total_Formal_Charge	0
6540262	Covalent_Unit_Count	1
76403	Rotatable_Bond_Count	1
15118	Rotatable_Bond_Count	0
9811221	Structure_Complexity	1690
107876	Hydrogen_Bond_Acceptor_Count	13
518700	TPSA	1
16079005	Covalent_Unit_Count	2
62098	Defined_Atom_Stereo_Count	0
54367722	Hydrogen_Bond_Acceptor_Count	2
3442	Defined_Atom_Stereo_Count	0
67828	XLogP3	2.2
5311308	Molecular_Weight	301.77
69913	Defined_Atom_Stereo_Count	0
23663390	Total_Formal_Charge	0
96402	Hydrogen_Bond_Acceptor_Count	0
10176670	XLogP3-AA	2.2
6918663	Defined_Atom_Stereo_Count	0
16725726	Exact_Mass	425.21753775
64371	Hydrogen_Bond_Acceptor_Count	1
51762	Defined_Atom_Stereo_Count	0
25199807	Covalent_Unit_Count	3
12477	Total_Formal_Charge	0
6909	Exact_Mass	230.900524
442076	Defined_Bond_Stereo_Count	0
36689718	Molecular_Weight	117.15
21702858	Isotope_Atom_Count	0
9837916	Hydrogen_Bond_Acceptor_Count	3
1646	Defined_Bond_Stereo_Count	0
5481119	Hydrogen_Bond_Acceptor_Count	6
571973	Undefined_Atom_Stereo_Count	0
5376	Mono_Isotopic_Weight	371.224914549
17150	Total_Formal_Charge	0
2737289	Mono_Isotopic_Weight	168.06989108
2724387	Hydrogen_Bond_Acceptor_Count	6
63632	TPSA	131
148201	Mono_Isotopic_Weight	646.27913494
134758781	Hydrogen_Bond_Donor_Count	6
61205	Defined_Bond_Stereo_Count	0
2943	Undefined_Atom_Stereo_Count	0
43558816	Molecular_Weight	114.10
4177	Hydrogen_Bond_Donor_Count	1
12381281	Non-hydrogen_Atom_Count	7
54682541	Exact_Mass	1024.3123164
68380382	Structure_Complexity	113
70848	Molecular_Weight	233.27
21443942	Covalent_Unit_Count	1
461399	Rotatable_Bond_Count	3
40894	Isotope_Atom_Count	0
74079	Covalent_Unit_Count	1
22754947	Defined_Atom_Stereo_Count	0
6748	Mono_Isotopic_Weight	159.068413911
70359	Undefined_Atom_Stereo_Count	0
85597	Mono_Isotopic_Weight	126.068079557
72068	Tautomer_Count	1
24763202	Undefined_Atom_Stereo_Count	0
517044	Tautomer_Count	1
24987688	XLogP3-AA	3.1
80076	Mono_Isotopic_Weight	92.0028925
918412	Defined_Bond_Stereo_Count	0
1794	Total_Formal_Charge	0
53323740	Molecular_Weight	300.31
60574	Rotatable_Bond_Count	5
135391180	Undefined_Atom_Stereo_Count	0
7040	Non-hydrogen_Atom_Count	13
16280	Isotope_Atom_Count	0
62165	Mono_Isotopic_Weight	324.302830514
12096747	XLogP3-AA	3.9
136516	Tautomer_Count	1
4645224	Molecular_Weight	165.12
23255624	Defined_Atom_Stereo_Count	3
851045	XLogP3-AA	0.5
29029	Hydrogen_Bond_Donor_Count	4
737	Hydrogen_Bond_Donor_Count	7
665063	Covalent_Unit_Count	1
10646616	Mono_Isotopic_Weight	436.02047
4594	Molecular_Weight	345.4
129317062	Defined_Atom_Stereo_Count	1
57258462	Structure_Complexity	86
135484651	Mono_Isotopic_Weight	473.16589610
23350	Non-hydrogen_Atom_Count	7
522266	XLogP3-AA	3.1
19070	Structure_Complexity	52.8
10997120	Defined_Atom_Stereo_Count	0
6420	Total_Formal_Charge	0
188414	Rotatable_Bond_Count	2
11339	Defined_Bond_Stereo_Count	0
51017507	Structure_Complexity	2330
98150	Defined_Bond_Stereo_Count	0
8305	Structure_Complexity	400
21907926	Rotatable_Bond_Count	0
6255	Molecular_Weight	342.30
59047	Total_Formal_Charge	0
37034	XLogP3	7.2
10560335	Defined_Atom_Stereo_Count	0
6451084	Rotatable_Bond_Count	14
20712539	Total_Formal_Charge	0
2403	Undefined_Atom_Stereo_Count	0
90475888	Tautomer_Count	3
16665100	Defined_Bond_Stereo_Count	0
705645	Undefined_Bond_Stereo_Count	0
13413802	Defined_Bond_Stereo_Count	0
21987711	Molecular_Weight	113.16
2164	Non-hydrogen_Atom_Count	16
12960	XLogP3-AA	0
11829356	Structure_Complexity	67.9
177700	Defined_Bond_Stereo_Count	0
46878493	Molecular_Weight	112.04
5462928	Hydrogen_Bond_Donor_Count	0
2418	Rotatable_Bond_Count	4
9824953	Undefined_Atom_Stereo_Count	0
65906	Defined_Atom_Stereo_Count	0
91489	Hydrogen_Bond_Acceptor_Count	3
72002	Defined_Atom_Stereo_Count	0
44305779	Undefined_Bond_Stereo_Count	0
163285106	Covalent_Unit_Count	1
284161	Undefined_Bond_Stereo_Count	0
9936012	Mono_Isotopic_Weight	506.2336207
11137085	Undefined_Bond_Stereo_Count	0
274074	Molecular_Weight	362.5
909860	Isotope_Atom_Count	0
520711	Exact_Mass	99.104799419
15004	Isotope_Atom_Count	0
14022519	XLogP3-AA	1.2
12084878	Exact_Mass	102.068079557
49865495	XLogP3-AA	1.8
54066875	Structure_Complexity	110
79840	XLogP3-AA	0.5
44392074	Structure_Complexity	752
10351092	Non-hydrogen_Atom_Count	74
87171	Defined_Atom_Stereo_Count	0
37865	Total_Formal_Charge	0
71667668	Total_Formal_Charge	0
3009363	Covalent_Unit_Count	1
71439018	Covalent_Unit_Count	4
54230	XLogP3-AA	3.3
439778	Mono_Isotopic_Weight	84.021129366
1385867	Defined_Atom_Stereo_Count	0
21670825	TPSA	0
16682730	Non-hydrogen_Atom_Count	11
4954	Undefined_Bond_Stereo_Count	1
45084984	Molecular_Weight	110.15
2433	Hydrogen_Bond_Acceptor_Count	14
15820984	TPSA	80.3
12000240	Mono_Isotopic_Weight	569.17851286
9918	Hydrogen_Bond_Acceptor_Count	1
59173	Defined_Bond_Stereo_Count	0
104805	Defined_Bond_Stereo_Count	0
165105	TPSA	107
15690647	Isotope_Atom_Count	0
5353495	Undefined_Atom_Stereo_Count	2
135814	Exact_Mass	296.17360725
10880751	Hydrogen_Bond_Acceptor_Count	5
2757748	Structure_Complexity	104
6436138	Exact_Mass	424.0938327
10938769	Molecular_Weight	422.9
13306877	Structure_Complexity	82.6
98941	Hydrogen_Bond_Donor_Count	0
9980551	XLogP3-AA	3.8
6498	Mono_Isotopic_Weight	118.00885060
24180972	Molecular_Weight	505.3
13506	TPSA	242
3080935	Isotope_Atom_Count	0
12536	Undefined_Atom_Stereo_Count	4
16211984	Non-hydrogen_Atom_Count	12
70684314	Undefined_Atom_Stereo_Count	0
136726	Defined_Bond_Stereo_Count	0
41793	Undefined_Bond_Stereo_Count	0
136873	Isotope_Atom_Count	0
21635382	Undefined_Bond_Stereo_Count	0
3017748	Tautomer_Count	1
10349	Hydrogen_Bond_Donor_Count	2
73695606	TPSA	55.1
3884	Isotope_Atom_Count	0
8562	Hydrogen_Bond_Acceptor_Count	3
129211	Undefined_Atom_Stereo_Count	0
302	Exact_Mass	406.27192431
54280	Total_Formal_Charge	0
8811	Mono_Isotopic_Weight	264.137496527
20216100	Structure_Complexity	76.2
53909396	Covalent_Unit_Count	1
163594	Undefined_Bond_Stereo_Count	0
55288198	Non-hydrogen_Atom_Count	8
41170	Total_Formal_Charge	0
51003564	Undefined_Atom_Stereo_Count	0
90774590	Defined_Atom_Stereo_Count	0
12541	Hydrogen_Bond_Acceptor_Count	5
442941	Undefined_Atom_Stereo_Count	0
7132	Structure_Complexity	263
45356963	Total_Formal_Charge	0
13191055	Hydrogen_Bond_Acceptor_Count	2
5283339	Tautomer_Count	4
11539725	Covalent_Unit_Count	1
93171	Rotatable_Bond_Count	1
517121	Undefined_Atom_Stereo_Count	0
123755	Total_Formal_Charge	0
441037	Exact_Mass	267.09541650
71463896	Total_Formal_Charge	0
6686	Hydrogen_Bond_Acceptor_Count	6
151446	Hydrogen_Bond_Donor_Count	5
9939152	Total_Formal_Charge	0
452723	Isotope_Atom_Count	0
11340940	Isotope_Atom_Count	0
6885	Isotope_Atom_Count	0
23170707	Undefined_Atom_Stereo_Count	0
12920383	Undefined_Bond_Stereo_Count	0
15092989	Undefined_Bond_Stereo_Count	0
6326	Undefined_Atom_Stereo_Count	0
90202	Non-hydrogen_Atom_Count	15
18696579	Structure_Complexity	44.5
110806	TPSA	46.5
197926	TPSA	12
135413525	Non-hydrogen_Atom_Count	18
68234591	XLogP3-AA	1.1
6433115	Covalent_Unit_Count	1
10240797	TPSA	32.8
68416	Exact_Mass	285.99530
80455	Covalent_Unit_Count	1
31389	Rotatable_Bond_Count	0
53480	Covalent_Unit_Count	1
57656833	Non-hydrogen_Atom_Count	28
60196269	Non-hydrogen_Atom_Count	22
140250071	Total_Formal_Charge	0
497300	Defined_Bond_Stereo_Count	0
101707	Undefined_Atom_Stereo_Count	1
9048976	Molecular_Weight	336.5
443157	Tautomer_Count	2
13316167	Undefined_Bond_Stereo_Count	0
9549168	TPSA	552
13012252	Undefined_Bond_Stereo_Count	0
843190	Mono_Isotopic_Weight	333.09358328
87125982	Total_Formal_Charge	0
5310991	Mono_Isotopic_Weight	558.27298694
10864881	Structure_Complexity	80.6
19349372	Exact_Mass	85.089149355
642781	Covalent_Unit_Count	1
45086609	Undefined_Bond_Stereo_Count	0
3416433	Structure_Complexity	127
14235	Undefined_Bond_Stereo_Count	0
6785	Covalent_Unit_Count	1
49852291	Mono_Isotopic_Weight	412.1764997
3336	Structure_Complexity	303
547678	Structure_Complexity	110
16653	Mono_Isotopic_Weight	187.10308534
82084	Hydrogen_Bond_Acceptor_Count	5
163640634	Structure_Complexity	118
23003869	Rotatable_Bond_Count	1
70685495	Structure_Complexity	1220
22227	Isotope_Atom_Count	0
129860447	Molecular_Weight	87.12
240767	Tautomer_Count	6
20583864	Exact_Mass	114.104465066
15790	TPSA	27.6
6539304	XLogP3-AA	3
56052	Undefined_Atom_Stereo_Count	2
135413540	Undefined_Bond_Stereo_Count	0
23328892	Non-hydrogen_Atom_Count	8
17985540	Covalent_Unit_Count	1
19027501	Undefined_Atom_Stereo_Count	0
14880677	Molecular_Weight	113.16
68862	Covalent_Unit_Count	1
54704426	Non-hydrogen_Atom_Count	33
9738	Covalent_Unit_Count	1
92626	Isotope_Atom_Count	0
688763	Defined_Bond_Stereo_Count	0
138107778	TPSA	279
88674536	Total_Formal_Charge	0
81869	XLogP3	4.5
584667	Non-hydrogen_Atom_Count	20
443391	Undefined_Atom_Stereo_Count	0
11309477	TPSA	9.2
11263488	Undefined_Bond_Stereo_Count	0
4895	Hydrogen_Bond_Donor_Count	2
259381	Hydrogen_Bond_Acceptor_Count	2
121098	TPSA	55.8
15604	Tautomer_Count	1
11466	Defined_Bond_Stereo_Count	0
53708408	TPSA	26.3
14577084	Total_Formal_Charge	0
8101	TPSA	0
57399910	Defined_Atom_Stereo_Count	0
4385787	Hydrogen_Bond_Acceptor_Count	6
59059041	Covalent_Unit_Count	1
13356643	Defined_Bond_Stereo_Count	0
424893	TPSA	128
34633	Rotatable_Bond_Count	6
10379137	Total_Formal_Charge	0
46317	Rotatable_Bond_Count	15
17864	XLogP3-AA	1
1050	Mono_Isotopic_Weight	167.058243149
15211200	Undefined_Bond_Stereo_Count	0
10679	Hydrogen_Bond_Donor_Count	2
9916489	Structure_Complexity	880
9366	Defined_Bond_Stereo_Count	0
101059324	Defined_Bond_Stereo_Count	0
8630	Tautomer_Count	1
68165256	TPSA	85.9
61184	Molecular_Weight	130.18
9883372	Total_Formal_Charge	0
9867812	Undefined_Atom_Stereo_Count	0
9548819	Non-hydrogen_Atom_Count	6
70991	Defined_Atom_Stereo_Count	0
240	Undefined_Bond_Stereo_Count	0
96301	Defined_Bond_Stereo_Count	0
13546	Defined_Bond_Stereo_Count	0
53667577	Defined_Atom_Stereo_Count	0
5053558	Undefined_Bond_Stereo_Count	0
16217112	Hydrogen_Bond_Donor_Count	5
11789150	Covalent_Unit_Count	1
668508	Undefined_Bond_Stereo_Count	1
16657	Molecular_Weight	98.19
86231890	TPSA	9.2
659063	Structure_Complexity	579
10415	TPSA	12
7067359	Isotope_Atom_Count	0
54548956	Hydrogen_Bond_Donor_Count	1
16556	Exact_Mass	222.173213330
102855	Undefined_Atom_Stereo_Count	1
20316	Rotatable_Bond_Count	3
54726191	Hydrogen_Bond_Acceptor_Count	8
441348	TPSA	55.6
11957515	Defined_Bond_Stereo_Count	0
55289794	Defined_Bond_Stereo_Count	0
3510	Isotope_Atom_Count	0
3178	Isotope_Atom_Count	0
92043128	Non-hydrogen_Atom_Count	53
5249209	Structure_Complexity	326
23236224	Defined_Bond_Stereo_Count	0
10133	Rotatable_Bond_Count	4
595317	Covalent_Unit_Count	1
39860	Mono_Isotopic_Weight	372.26644501
3264	Exact_Mass	356.19875937
6436057	Isotope_Atom_Count	0
15605556	Total_Formal_Charge	0
18352756	Covalent_Unit_Count	1
28166	Hydrogen_Bond_Donor_Count	0
3033769	Non-hydrogen_Atom_Count	22
53641062	Undefined_Atom_Stereo_Count	0
89314354	Covalent_Unit_Count	1
12634655	Exact_Mass	94.078250319
231934	Total_Formal_Charge	0
443311	Defined_Bond_Stereo_Count	0
135596593	Undefined_Bond_Stereo_Count	0
23667638	Molecular_Weight	255.97
5263	Hydrogen_Bond_Donor_Count	2
107767	Mono_Isotopic_Weight	666.44718533
70269	Molecular_Weight	127.10
14917	Defined_Bond_Stereo_Count	0
589313	TPSA	41.6
3283	Hydrogen_Bond_Donor_Count	0
20617585	Mono_Isotopic_Weight	93.021463719
11593	Undefined_Atom_Stereo_Count	0
63045	Hydrogen_Bond_Acceptor_Count	7
123489618	Structure_Complexity	117
12627075	Covalent_Unit_Count	1
11985	Total_Formal_Charge	0
3106	Undefined_Bond_Stereo_Count	0
67556876	Exact_Mass	388.29774513
78006	Total_Formal_Charge	0
2816576	Defined_Atom_Stereo_Count	0
70751	Exact_Mass	141.053826475
2734174	Rotatable_Bond_Count	3
23649154	TPSA	56.5
52918379	Non-hydrogen_Atom_Count	68
8949	Total_Formal_Charge	0
22887897	Exact_Mass	423.23693578
12534276	Molecular_Weight	112.17
4538	Undefined_Bond_Stereo_Count	0
10288	Hydrogen_Bond_Acceptor_Count	3
9105	Exact_Mass	402.140850574
7059	XLogP3	2.6
63047	Non-hydrogen_Atom_Count	34
55287916	Rotatable_Bond_Count	2
136502	Non-hydrogen_Atom_Count	7
71474517	Undefined_Atom_Stereo_Count	0
542335	Rotatable_Bond_Count	3
9211	TPSA	9.2
19437571	Mono_Isotopic_Weight	112.088815002
3034010	XLogP3-AA	10
132306	Defined_Atom_Stereo_Count	0
142403683	Defined_Atom_Stereo_Count	0
14143522	Defined_Bond_Stereo_Count	0
22047	Undefined_Bond_Stereo_Count	0
3644	Molecular_Weight	440.4
398747	Covalent_Unit_Count	1
3306	TPSA	52.5
10209	XLogP3-AA	2.8
12228440	Covalent_Unit_Count	1
40854	Undefined_Atom_Stereo_Count	1
14456889	Hydrogen_Bond_Donor_Count	2
91805	Total_Formal_Charge	0
123286573	Rotatable_Bond_Count	3
285118	Hydrogen_Bond_Acceptor_Count	4
22990584	XLogP3-AA	1.6
18861	Tautomer_Count	1
36795	TPSA	30.5
633	Defined_Bond_Stereo_Count	0
59594973	Total_Formal_Charge	0
10118014	Hydrogen_Bond_Donor_Count	2
3073	TPSA	35.5
524954	Covalent_Unit_Count	1
11582651	XLogP3-AA	3.7
398596	Non-hydrogen_Atom_Count	17
53737754	Exact_Mass	118.02660867
13349550	Defined_Atom_Stereo_Count	0
5324560	Defined_Atom_Stereo_Count	0
23385871	TPSA	3.2
49217	Isotope_Atom_Count	0
4454	Rotatable_Bond_Count	9
70555429	Molecular_Weight	96.09
18397995	Molecular_Weight	645.6
450598	TPSA	83.6
135080	Total_Formal_Charge	0
15123308	Hydrogen_Bond_Donor_Count	1
3040	XLogP3	3.6
22731481	Molecular_Weight	118.10
14435951	TPSA	29.1
117899707	Exact_Mass	116.083729621
38258	Covalent_Unit_Count	1
15980798	Defined_Bond_Stereo_Count	0
10129907	Structure_Complexity	79
6999977	Defined_Atom_Stereo_Count	1
65456803	Molecular_Weight	100.16
21024274	Molecular_Weight	118.17
5460797	Exact_Mass	118.050418117
87853465	Isotope_Atom_Count	0
9793	Exact_Mass	376.20498756
36272	Hydrogen_Bond_Donor_Count	0
431097	Defined_Atom_Stereo_Count	0
449343	Hydrogen_Bond_Donor_Count	5
75274	Rotatable_Bond_Count	6
62477	Exact_Mass	130.099379685
129317940	Hydrogen_Bond_Acceptor_Count	7
465951	Molecular_Weight	353.4
71356554	Defined_Bond_Stereo_Count	0
43082	TPSA	12.5
2723755	Rotatable_Bond_Count	1
95705	Undefined_Bond_Stereo_Count	0
476778	Defined_Atom_Stereo_Count	3
62238	Exact_Mass	512.55323154
7684	Non-hydrogen_Atom_Count	11
6537152	Covalent_Unit_Count	1
69677	Exact_Mass	134.00918253
80884	Hydrogen_Bond_Donor_Count	7
4269486	Rotatable_Bond_Count	0
53932534	Mono_Isotopic_Weight	115.063328530
443130	TPSA	85.9
71397	Mono_Isotopic_Weight	285.151749610
9759	Covalent_Unit_Count	1
54077874	Hydrogen_Bond_Donor_Count	0
15758	Undefined_Bond_Stereo_Count	0
14592758	Covalent_Unit_Count	1
90227	Total_Formal_Charge	0
12350	XLogP3-AA	3
25271781	Defined_Bond_Stereo_Count	0
4403	Undefined_Bond_Stereo_Count	0
53960	Undefined_Bond_Stereo_Count	0
60196384	Defined_Atom_Stereo_Count	0
69388	Rotatable_Bond_Count	2
70949	TPSA	57.5
42350	Total_Formal_Charge	0
383	Molecular_Weight	1158.1
7118	Defined_Bond_Stereo_Count	0
49862872	Rotatable_Bond_Count	2
57239380	Covalent_Unit_Count	1
78408892	XLogP3-AA	0.1
14502691	TPSA	12
34520	Undefined_Bond_Stereo_Count	0
667550	Hydrogen_Bond_Donor_Count	1
91788	Undefined_Atom_Stereo_Count	1
87098264	Exact_Mass	189.94322646
20798667	Total_Formal_Charge	0
91824766	Molecular_Weight	1553.8
19838	Hydrogen_Bond_Donor_Count	0
66666	Mono_Isotopic_Weight	130.078250319
141828087	Covalent_Unit_Count	1
15570483	Hydrogen_Bond_Acceptor_Count	0
1069	Defined_Bond_Stereo_Count	0
12576851	XLogP3-AA	0.4
158849	Molecular_Weight	1028.8
124770286	Non-hydrogen_Atom_Count	47
153386581	Exact_Mass	96.057514874
131632429	Rotatable_Bond_Count	10
9881504	Molecular_Weight	254.28
98086793	Undefined_Atom_Stereo_Count	0
7725	Exact_Mass	120.057514874
440959	Covalent_Unit_Count	1
61753	Hydrogen_Bond_Donor_Count	0
139062656	Undefined_Atom_Stereo_Count	0
27816	Isotope_Atom_Count	0
66742	Hydrogen_Bond_Donor_Count	0
601439	Defined_Atom_Stereo_Count	0
79104	Exact_Mass	86.073164938
14866361	Defined_Atom_Stereo_Count	0
24027	XLogP3-AA	4.6
7058062	Structure_Complexity	128
34789	TPSA	12.5
39521	Total_Formal_Charge	0
20136721	Hydrogen_Bond_Acceptor_Count	2
135398729	Exact_Mass	237.08618923
33786	Defined_Atom_Stereo_Count	0
104838	Hydrogen_Bond_Donor_Count	3
15566624	Structure_Complexity	100
18004304	Mono_Isotopic_Weight	105.078978594
60060441	Mono_Isotopic_Weight	72.00721064
4583	Molecular_Weight	361.4
36457	Structure_Complexity	274
60168629	Mono_Isotopic_Weight	381.15762283
21635253	Isotope_Atom_Count	0
55062	Defined_Bond_Stereo_Count	0
10410064	Structure_Complexity	686
7784	Exact_Mass	258.18310931
11355438	Hydrogen_Bond_Acceptor_Count	2
536086	Undefined_Atom_Stereo_Count	0
17940308	Covalent_Unit_Count	1
20788567	Rotatable_Bond_Count	4
5289418	Covalent_Unit_Count	1
129631779	Rotatable_Bond_Count	8
53316418	Isotope_Atom_Count	0
4369084	Structure_Complexity	477
73648	Mono_Isotopic_Weight	388.11581759
6436063	Exact_Mass	366.361014095
50094	TPSA	0
6426660	Exact_Mass	314.24570956
10898660	Rotatable_Bond_Count	1
48920	Mono_Isotopic_Weight	283.157228913
12351158	Exact_Mass	97.016378338
10402760	Defined_Bond_Stereo_Count	0
135738851	Hydrogen_Bond_Donor_Count	7
9920377	TPSA	41.1
565843	Covalent_Unit_Count	1
83045	Defined_Atom_Stereo_Count	0
11332423	Hydrogen_Bond_Donor_Count	2
9839243	Molecular_Weight	298.4
21702822	Hydrogen_Bond_Acceptor_Count	1
94297	Rotatable_Bond_Count	2
5481173	Hydrogen_Bond_Donor_Count	3
46207586	Undefined_Bond_Stereo_Count	0
5284613	Tautomer_Count	1
5778	Isotope_Atom_Count	0
89079153	Hydrogen_Bond_Donor_Count	0
31281	Defined_Bond_Stereo_Count	0
11239	Hydrogen_Bond_Donor_Count	0
2737289	XLogP3	0.8
11559	XLogP3-AA	0.6
906	Mono_Isotopic_Weight	309.10598118
1115	Hydrogen_Bond_Donor_Count	8
53851	Non-hydrogen_Atom_Count	23
802	Defined_Bond_Stereo_Count	0
9015	Molecular_Weight	124.14
55287187	Hydrogen_Bond_Donor_Count	1
8659	TPSA	55
69810334	Structure_Complexity	91
68783	Defined_Atom_Stereo_Count	6
10465793	Rotatable_Bond_Count	2
25115964	Rotatable_Bond_Count	5
10256668	Non-hydrogen_Atom_Count	40
9820073	Hydrogen_Bond_Acceptor_Count	4
17945614	Structure_Complexity	82.5
10931233	Mono_Isotopic_Weight	1197.20932
4066	Tautomer_Count	1
13035	Defined_Atom_Stereo_Count	0
20487874	TPSA	0
730093	Hydrogen_Bond_Donor_Count	2
72214	Mono_Isotopic_Weight	251.10183929
998021	Defined_Atom_Stereo_Count	0
23077956	Structure_Complexity	142
264	Total_Formal_Charge	0
2752648	Isotope_Atom_Count	0
9984374	Undefined_Atom_Stereo_Count	1
5287779	Total_Formal_Charge	0
13528037	Rotatable_Bond_Count	7
6533629	Molecular_Weight	383.4
10221024	Defined_Bond_Stereo_Count	0
213145	Undefined_Atom_Stereo_Count	0
42207	Molecular_Weight	543.1
102366731	Undefined_Bond_Stereo_Count	0
9816	Undefined_Bond_Stereo_Count	0
23077956	Defined_Bond_Stereo_Count	0
86646597	Undefined_Bond_Stereo_Count	0
91753565	Molecular_Weight	204.35
10701796	Defined_Atom_Stereo_Count	0
455579	Undefined_Atom_Stereo_Count	0
10986	Structure_Complexity	25.5
44578649	Rotatable_Bond_Count	7
285657	Defined_Bond_Stereo_Count	0
66708	Undefined_Bond_Stereo_Count	0
131704	Hydrogen_Bond_Acceptor_Count	8
76959818	Mono_Isotopic_Weight	369.254203300
25273609	Defined_Bond_Stereo_Count	0
10176589	Hydrogen_Bond_Donor_Count	3
9026	Covalent_Unit_Count	1
22918788	Non-hydrogen_Atom_Count	6
12243027	Exact_Mass	100.063662883
74453	Undefined_Bond_Stereo_Count	0
2039	Tautomer_Count	1
44564	Molecular_Weight	311.63
7973	Exact_Mass	156.95271
6444186	Non-hydrogen_Atom_Count	69
23293	Covalent_Unit_Count	1
163853278	Molecular_Weight	95.14
53956489	Defined_Atom_Stereo_Count	0
8271	Rotatable_Bond_Count	2
24838350	Mono_Isotopic_Weight	1058.31784
20072484	Undefined_Bond_Stereo_Count	0
130324566	Defined_Bond_Stereo_Count	0
148763531	Exact_Mass	107.048347172
566503	TPSA	56.7
162247	Undefined_Atom_Stereo_Count	0
3035541	Hydrogen_Bond_Acceptor_Count	4
159470	Undefined_Atom_Stereo_Count	0
2846	Mono_Isotopic_Weight	662.41556884
7435	Defined_Atom_Stereo_Count	0
57548589	Isotope_Atom_Count	0
3081304	Defined_Bond_Stereo_Count	0
9661	Defined_Bond_Stereo_Count	0
6026790	Exact_Mass	594.52232533
3083671	Non-hydrogen_Atom_Count	19
197856	Molecular_Weight	532.5
56682312	Structure_Complexity	718
161664	Undefined_Bond_Stereo_Count	0
68947	Isotope_Atom_Count	0
15184917	Hydrogen_Bond_Acceptor_Count	1
7260	XLogP3	1.4
71484	Structure_Complexity	995
7301	Defined_Atom_Stereo_Count	0
2772687	Molecular_Weight	315.16
15103	Isotope_Atom_Count	0
19077508	Covalent_Unit_Count	1
138801	Molecular_Weight	274.5
92444	Tautomer_Count	1
12036651	Undefined_Atom_Stereo_Count	0
5288725	Undefined_Atom_Stereo_Count	0
3702	Tautomer_Count	2
9999	XLogP3	0.1
77533	Structure_Complexity	201
25799416	Isotope_Atom_Count	0
138564	Undefined_Bond_Stereo_Count	0
24847	Exact_Mass	158.167065321
2762553	Rotatable_Bond_Count	3
22166430	Mono_Isotopic_Weight	101.084063974
129638548	Rotatable_Bond_Count	0
304265	Structure_Complexity	92.5
160355	Molecular_Weight	354.4
6030	Exact_Mass	324.03586699
12271349	TPSA	12.5
2723704	Tautomer_Count	3
55466	Structure_Complexity	631
12433	Isotope_Atom_Count	0
77881	Rotatable_Bond_Count	0
5281107	Isotope_Atom_Count	0
29809	Non-hydrogen_Atom_Count	25
131874127	TPSA	46.9
400185	Hydrogen_Bond_Acceptor_Count	5
9793714	Defined_Bond_Stereo_Count	0
125183304	Exact_Mass	904.44565070
15431	XLogP3-AA	3.5
2215	Hydrogen_Bond_Donor_Count	2
21911205	Defined_Atom_Stereo_Count	0
7616	Undefined_Bond_Stereo_Count	0
12432039	Non-hydrogen_Atom_Count	6
10633	Hydrogen_Bond_Acceptor_Count	2
3036154	Isotope_Atom_Count	0
140048	Molecular_Weight	120.17
44345361	Rotatable_Bond_Count	3
10309114	Hydrogen_Bond_Donor_Count	2
36560	Non-hydrogen_Atom_Count	14
30337	Exact_Mass	230.11542367
96458	Defined_Atom_Stereo_Count	0
6931391	Hydrogen_Bond_Donor_Count	1
9845622	Hydrogen_Bond_Donor_Count	4
70040	Molecular_Weight	212.29
25590	Tautomer_Count	1
24848261	Defined_Bond_Stereo_Count	0
688938	Defined_Atom_Stereo_Count	0
89534431	Undefined_Bond_Stereo_Count	0
88396	Hydrogen_Bond_Acceptor_Count	3
283654	Tautomer_Count	3
1291	Undefined_Atom_Stereo_Count	1
132980	Structure_Complexity	748
53302268	Defined_Bond_Stereo_Count	0
97268	Non-hydrogen_Atom_Count	16
9799942	Undefined_Atom_Stereo_Count	1
547067	Undefined_Atom_Stereo_Count	1
68739127	Total_Formal_Charge	0
11261	Total_Formal_Charge	0
129630288	Hydrogen_Bond_Donor_Count	8
12428066	Exact_Mass	111.068413911
3081185	Molecular_Weight	283.34
256019	Defined_Bond_Stereo_Count	0
99334	Covalent_Unit_Count	1
107641	Non-hydrogen_Atom_Count	22
1549622	Rotatable_Bond_Count	4
688763	Isotope_Atom_Count	0
7622	TPSA	3.2
50901	Tautomer_Count	3
69402	XLogP3-AA	1.4
54033586	Exact_Mass	112.088815002
521355	Rotatable_Bond_Count	3
70693538	TPSA	136
86256506	Exact_Mass	101.047678466
56929801	Undefined_Bond_Stereo_Count	0
67030919	Isotope_Atom_Count	0
84731066	Mono_Isotopic_Weight	118.062994177
5281897	Structure_Complexity	737
25030387	Undefined_Bond_Stereo_Count	0
5464097	Total_Formal_Charge	0
133268492	Hydrogen_Bond_Donor_Count	3
11935	Isotope_Atom_Count	0
21560064	Non-hydrogen_Atom_Count	8
97725	Undefined_Bond_Stereo_Count	0
74470	Undefined_Atom_Stereo_Count	0
11734	Undefined_Atom_Stereo_Count	1
126843179	Hydrogen_Bond_Donor_Count	4
36314	Defined_Bond_Stereo_Count	0
16322	Defined_Atom_Stereo_Count	0
105426930	Rotatable_Bond_Count	0
6918649	Undefined_Bond_Stereo_Count	0
16129685	Tautomer_Count	1000
33713	Total_Formal_Charge	0
58364265	Molecular_Weight	419.7
9971	TPSA	63.3
13153908	Isotope_Atom_Count	0
53728	Defined_Bond_Stereo_Count	0
5564	Molecular_Weight	289.5
83788	Exact_Mass	175.08445790
44477	Covalent_Unit_Count	1
5288320	Hydrogen_Bond_Acceptor_Count	5
10941	Mono_Isotopic_Weight	180.0221037
136130	Molecular_Weight	131.05
21439	Non-hydrogen_Atom_Count	9
24181320	Defined_Bond_Stereo_Count	0
82502376	Isotope_Atom_Count	0
6950337	Rotatable_Bond_Count	2
7461	Tautomer_Count	1
16639	XLogP3-AA	2.7
9793926	Hydrogen_Bond_Donor_Count	1
625	Undefined_Atom_Stereo_Count	3
3734343	TPSA	90.7
53903157	Molecular_Weight	42.040
46224572	Structure_Complexity	482
16197727	Rotatable_Bond_Count	51
92786	Defined_Atom_Stereo_Count	8
54291205	Rotatable_Bond_Count	0
18324766	Undefined_Bond_Stereo_Count	0
137701	Molecular_Weight	86.13
14040	Molecular_Weight	128.25
53298027	Undefined_Bond_Stereo_Count	0
7394	Molecular_Weight	180.55
8188	Defined_Atom_Stereo_Count	0
26421	TPSA	20.3
692135	Isotope_Atom_Count	0
519963	Covalent_Unit_Count	1
11987858	Non-hydrogen_Atom_Count	7
9886917	Mono_Isotopic_Weight	394.15287181
145858	Exact_Mass	207.080989970
5311325	Molecular_Weight	102.975151
2308	Covalent_Unit_Count	1
122639	Structure_Complexity	1610
2778574	TPSA	9.2
117295	Defined_Atom_Stereo_Count	0
11608786	Total_Formal_Charge	0
69016240	Structure_Complexity	229
22138511	Undefined_Bond_Stereo_Count	0
83095	Mono_Isotopic_Weight	168.0301698
7967	Rotatable_Bond_Count	0
66541	Hydrogen_Bond_Acceptor_Count	3
6328685	Undefined_Atom_Stereo_Count	0
13624608	Exact_Mass	189.053826475
12136798	Total_Formal_Charge	0
9546757	Undefined_Bond_Stereo_Count	0
129893609	TPSA	365
5462310	Undefined_Atom_Stereo_Count	0
22956467	Total_Formal_Charge	2
57391720	TPSA	115
14379827	Hydrogen_Bond_Donor_Count	1
3047809	TPSA	101
79491	Undefined_Atom_Stereo_Count	0
61044	Tautomer_Count	1
31416	Rotatable_Bond_Count	4
45488115	Defined_Bond_Stereo_Count	0
74096	Rotatable_Bond_Count	5
950	Defined_Bond_Stereo_Count	0
46239	Molecular_Weight	275.77
14459015	Non-hydrogen_Atom_Count	20
96344	Undefined_Atom_Stereo_Count	0
136183442	Hydrogen_Bond_Acceptor_Count	8
535634	Mono_Isotopic_Weight	81.057849228
2734168	Undefined_Bond_Stereo_Count	0
126011	XLogP3	0.7
93303	Exact_Mass	768.42104815
18953179	Mono_Isotopic_Weight	626.7775
182137	Defined_Bond_Stereo_Count	0
4624	Molecular_Weight	169.18
12936730	Non-hydrogen_Atom_Count	8
5353830	Non-hydrogen_Atom_Count	17
12107	Undefined_Bond_Stereo_Count	0
13661819	Exact_Mass	98.073164938
71312582	Isotope_Atom_Count	62
3085877	Structure_Complexity	227
2697	Non-hydrogen_Atom_Count	37
6492	Isotope_Atom_Count	0
12035	XLogP3	0.4
1810203	XLogP3-AA	0.9
28031	Defined_Bond_Stereo_Count	0
44338989	Defined_Atom_Stereo_Count	0
16097	Covalent_Unit_Count	1
134574427	Molecular_Weight	102.14
55284719	Isotope_Atom_Count	0
20739	Undefined_Atom_Stereo_Count	0
26470418	Exact_Mass	342.11621151
575893	Hydrogen_Bond_Acceptor_Count	3
59961798	XLogP3-AA	3
14453685	Hydrogen_Bond_Acceptor_Count	1
2723853	Defined_Bond_Stereo_Count	0
7200	Defined_Atom_Stereo_Count	0
12260467	Non-hydrogen_Atom_Count	8
5702063	Structure_Complexity	228
70265544	Molecular_Weight	107.11
68846936	Defined_Atom_Stereo_Count	0
65211	Non-hydrogen_Atom_Count	33
9810773	Covalent_Unit_Count	2
6440180	Defined_Atom_Stereo_Count	4
440046	Mono_Isotopic_Weight	113.047678466
40466974	Undefined_Bond_Stereo_Count	0
11786594	Mono_Isotopic_Weight	583.23522170
154515422	Structure_Complexity	82.4
7292	Exact_Mass	87.068413911
3857	Covalent_Unit_Count	1
54561872	Defined_Atom_Stereo_Count	0
336423	TPSA	39.2
439517	Undefined_Bond_Stereo_Count	0
5380876	Undefined_Atom_Stereo_Count	1
41124	Hydrogen_Bond_Donor_Count	0
72373	TPSA	86.9
5359227	Mono_Isotopic_Weight	397.12903910
71358240	Molecular_Weight	111.10
9801640	Rotatable_Bond_Count	6
75562	Rotatable_Bond_Count	0
11062335	Total_Formal_Charge	0
47811	Defined_Bond_Stereo_Count	0
20112175	Molecular_Weight	92.09
7441	Hydrogen_Bond_Acceptor_Count	3
4448	Covalent_Unit_Count	1
73707684	Non-hydrogen_Atom_Count	7
57780614	Defined_Bond_Stereo_Count	0
446541	Defined_Atom_Stereo_Count	0
24250	Hydrogen_Bond_Acceptor_Count	2
10899521	Mono_Isotopic_Weight	194.130679813
6427991	Defined_Atom_Stereo_Count	0
44145008	Molecular_Weight	146.23
542354	Total_Formal_Charge	0
34303	Mono_Isotopic_Weight	234.198365449
3002820	Defined_Atom_Stereo_Count	0
151994	Hydrogen_Bond_Donor_Count	0
58475	Hydrogen_Bond_Acceptor_Count	2
5381	Tautomer_Count	1
6328657	Undefined_Bond_Stereo_Count	0
81237	Undefined_Atom_Stereo_Count	0
91563	Undefined_Atom_Stereo_Count	0
919	Total_Formal_Charge	0
18387331	Mono_Isotopic_Weight	99.104799419
15396543	Isotope_Atom_Count	0
49865784	Structure_Complexity	451
436520	Rotatable_Bond_Count	17
5037	Mono_Isotopic_Weight	245.152812238
87535084	Covalent_Unit_Count	1
50894	Structure_Complexity	373
3036746	Hydrogen_Bond_Donor_Count	1
21447199	Hydrogen_Bond_Acceptor_Count	1
51352361	Hydrogen_Bond_Acceptor_Count	7
5001396	Hydrogen_Bond_Donor_Count	0
43594	Molecular_Weight	542.6
101031992	Non-hydrogen_Atom_Count	8
400182	Defined_Atom_Stereo_Count	0
7961	TPSA	0
5325263	Hydrogen_Bond_Acceptor_Count	2
152951	Hydrogen_Bond_Donor_Count	5
121026	Hydrogen_Bond_Acceptor_Count	3
9881504	Non-hydrogen_Atom_Count	19
638552	TPSA	33
17380	Defined_Atom_Stereo_Count	0
3529	Molecular_Weight	670.9
736	Hydrogen_Bond_Acceptor_Count	6
1546	TPSA	119
53992423	Hydrogen_Bond_Acceptor_Count	2
779179	Undefined_Atom_Stereo_Count	0
104806	Mono_Isotopic_Weight	61.987817862
6316	Exact_Mass	260.0927701
11972518	Mono_Isotopic_Weight	1110.57633051
5460037	Non-hydrogen_Atom_Count	34
5282428	Rotatable_Bond_Count	8
191101	Undefined_Bond_Stereo_Count	0
18923110	Undefined_Bond_Stereo_Count	0
13	Isotope_Atom_Count	0
4184	Isotope_Atom_Count	0
90988075	Covalent_Unit_Count	1
141489386	Mono_Isotopic_Weight	112.027277375
9570985	Rotatable_Bond_Count	7
10023121	Defined_Atom_Stereo_Count	0
29809	Defined_Bond_Stereo_Count	0
32881	Covalent_Unit_Count	1
73881	Undefined_Bond_Stereo_Count	0
53345582	TPSA	69.6
129	Tautomer_Count	2
13740443	Exact_Mass	83.037113783
4816	Undefined_Atom_Stereo_Count	8
12198	Tautomer_Count	1
402827	TPSA	98.8
119195	Structure_Complexity	258
556487	Defined_Bond_Stereo_Count	0
11714580	Undefined_Bond_Stereo_Count	0
133109195	Hydrogen_Bond_Acceptor_Count	9
25209	Defined_Bond_Stereo_Count	0
146156358	Defined_Bond_Stereo_Count	0
5288598	Non-hydrogen_Atom_Count	17
5287468	Total_Formal_Charge	0
135705228	Non-hydrogen_Atom_Count	36
25056	TPSA	16.1
12766	Tautomer_Count	1
80554	Tautomer_Count	4
11954	Defined_Bond_Stereo_Count	0
140719461	Covalent_Unit_Count	1
92279	Undefined_Atom_Stereo_Count	0
56840877	Non-hydrogen_Atom_Count	13
162681560	Defined_Bond_Stereo_Count	0
12704953	Covalent_Unit_Count	1
1123	Defined_Atom_Stereo_Count	0
4679699	Non-hydrogen_Atom_Count	12
6150	Structure_Complexity	465
145705672	Hydrogen_Bond_Donor_Count	4
5280880	Undefined_Atom_Stereo_Count	0
14846	Undefined_Bond_Stereo_Count	0
16600	Rotatable_Bond_Count	5
160753	Rotatable_Bond_Count	0
13396127	Total_Formal_Charge	0
90087	Undefined_Atom_Stereo_Count	0
361739	Hydrogen_Bond_Donor_Count	0
7932	Defined_Atom_Stereo_Count	0
66599893	Non-hydrogen_Atom_Count	34
17964403	Defined_Atom_Stereo_Count	0
20393266	TPSA	24.6
66545	Mono_Isotopic_Weight	238.04121336
5311217	Covalent_Unit_Count	1
22094758	Exact_Mass	112.052429494
123611214	Mono_Isotopic_Weight	112.088815002
137090	Covalent_Unit_Count	1
71310415	Non-hydrogen_Atom_Count	26
68374679	Structure_Complexity	126
10094429	Defined_Bond_Stereo_Count	0
11725766	TPSA	46.3
19958	Rotatable_Bond_Count	2
135121972	Defined_Atom_Stereo_Count	0
63016	Rotatable_Bond_Count	4
131750798	Total_Formal_Charge	0
2763214	Defined_Atom_Stereo_Count	0
12285892	Undefined_Bond_Stereo_Count	0
46782942	Non-hydrogen_Atom_Count	25
313196	Isotope_Atom_Count	0
5279171	XLogP3-AA	3.3
118318030	Defined_Atom_Stereo_Count	15
135923569	Hydrogen_Bond_Donor_Count	2
9922187	Exact_Mass	295.168462302
12102501	Molecular_Weight	112.13
2724054	Hydrogen_Bond_Donor_Count	1
68030	Defined_Atom_Stereo_Count	0
17902	Defined_Atom_Stereo_Count	0
94154	TPSA	101
72016	Mono_Isotopic_Weight	216.126263138
10772946	Defined_Bond_Stereo_Count	0
43002	Hydrogen_Bond_Donor_Count	1
57459334	Molecular_Weight	104.15
87452348	Total_Formal_Charge	0
6369059	Total_Formal_Charge	1
98170437	Molecular_Weight	342.30
23216963	Structure_Complexity	90.4
802	Isotope_Atom_Count	0
64778	Undefined_Atom_Stereo_Count	0
5365773	Molecular_Weight	254.41
5280608	Total_Formal_Charge	0
5086466	Isotope_Atom_Count	0
66379	Molecular_Weight	411.36
23662369	Defined_Atom_Stereo_Count	0
140655119	Hydrogen_Bond_Acceptor_Count	2
222285	Total_Formal_Charge	0
70048	Defined_Atom_Stereo_Count	0
22028207	Non-hydrogen_Atom_Count	7
12443	Non-hydrogen_Atom_Count	15
5334356	Structure_Complexity	360
8508	Hydrogen_Bond_Acceptor_Count	7
3413278	Structure_Complexity	601
23434540	Structure_Complexity	76.8
71340855	Defined_Bond_Stereo_Count	0
250079	Hydrogen_Bond_Acceptor_Count	6
9861452	Total_Formal_Charge	0
9826520	Hydrogen_Bond_Donor_Count	0
550925	Defined_Atom_Stereo_Count	0
8992	Undefined_Bond_Stereo_Count	0
21945716	Hydrogen_Bond_Acceptor_Count	1
11249342	Defined_Atom_Stereo_Count	2
51668574	Hydrogen_Bond_Donor_Count	3
114739	Total_Formal_Charge	0
131059	Defined_Bond_Stereo_Count	0
5236	Rotatable_Bond_Count	0
39356	Defined_Bond_Stereo_Count	0
14017587	Rotatable_Bond_Count	9
52931497	Defined_Atom_Stereo_Count	10
54569511	Undefined_Atom_Stereo_Count	1
18321713	Isotope_Atom_Count	0
54677674	Isotope_Atom_Count	0
151707353	Undefined_Atom_Stereo_Count	2
48199	Rotatable_Bond_Count	7
140442165	Non-hydrogen_Atom_Count	85
20470622	Defined_Atom_Stereo_Count	0
22256270	Isotope_Atom_Count	0
55291451	Isotope_Atom_Count	0
93468	Total_Formal_Charge	0
6413529	Defined_Bond_Stereo_Count	2
2723770	Rotatable_Bond_Count	0
15210994	Defined_Atom_Stereo_Count	0
3862645	Rotatable_Bond_Count	6
14829	Defined_Bond_Stereo_Count	0
3154	Undefined_Atom_Stereo_Count	2
124744579	Defined_Atom_Stereo_Count	19
43801121	XLogP3-AA	0.7
156592459	Defined_Atom_Stereo_Count	11
153994	Undefined_Bond_Stereo_Count	0
14443	Exact_Mass	428.23112213
59050128	Isotope_Atom_Count	0
1499	Defined_Atom_Stereo_Count	0
57417230	Hydrogen_Bond_Donor_Count	5
71356656	Undefined_Bond_Stereo_Count	1
129319344	Exact_Mass	1098.63148185
31348	Defined_Bond_Stereo_Count	0
16989	Undefined_Bond_Stereo_Count	0
9806615	Hydrogen_Bond_Acceptor_Count	11
59630	Undefined_Atom_Stereo_Count	2
66117	Hydrogen_Bond_Acceptor_Count	4
69827	Hydrogen_Bond_Donor_Count	0
23049714	Mono_Isotopic_Weight	165.02483502
447905	Non-hydrogen_Atom_Count	41
101582408	Rotatable_Bond_Count	10
5352543	Rotatable_Bond_Count	9
6837	Covalent_Unit_Count	1
84653	Mono_Isotopic_Weight	199.99388650
68921	Defined_Atom_Stereo_Count	7
6091	Hydrogen_Bond_Donor_Count	1
16049448	TPSA	144
59713	Exact_Mass	332.225248902
66199435	Hydrogen_Bond_Donor_Count	1
719704	Molecular_Weight	192.21
101102794	TPSA	404
6921705	Hydrogen_Bond_Donor_Count	4
6852393	Hydrogen_Bond_Donor_Count	0
9801640	Covalent_Unit_Count	1
11009532	Hydrogen_Bond_Acceptor_Count	1
9898827	Structure_Complexity	144
9799518	Hydrogen_Bond_Acceptor_Count	3
26710	Defined_Bond_Stereo_Count	0
141080616	Total_Formal_Charge	0
611887	Undefined_Bond_Stereo_Count	0
72614909	Undefined_Atom_Stereo_Count	0
3272	Mono_Isotopic_Weight	456.25118886
11636816	Defined_Bond_Stereo_Count	0
8877	Covalent_Unit_Count	3
138122	Hydrogen_Bond_Donor_Count	1
40510	Undefined_Atom_Stereo_Count	0
70689445	Molecular_Weight	446.3
11767	Undefined_Atom_Stereo_Count	0
2515	Tautomer_Count	6
135765350	TPSA	53.5
14957	Non-hydrogen_Atom_Count	39
107901	Hydrogen_Bond_Acceptor_Count	4
12315159	Molecular_Weight	152.23
16237	Rotatable_Bond_Count	5
15311935	Covalent_Unit_Count	1
398661	Exact_Mass	291.18344366
98655	TPSA	43.4
20133182	Structure_Complexity	81.7
75675	Defined_Bond_Stereo_Count	0
534204	Molecular_Weight	96.13
6160	Tautomer_Count	2
16700308	Undefined_Atom_Stereo_Count	0
6918606	Isotope_Atom_Count	0
10902277	Undefined_Bond_Stereo_Count	0
85859507	Mono_Isotopic_Weight	115.063328530
643587	Hydrogen_Bond_Acceptor_Count	0
58463204	Undefined_Atom_Stereo_Count	2
136266076	Defined_Atom_Stereo_Count	0
12820526	Hydrogen_Bond_Acceptor_Count	1
166548151	Hydrogen_Bond_Acceptor_Count	1
68028	Undefined_Atom_Stereo_Count	0
65772	Undefined_Bond_Stereo_Count	0
13218140	Defined_Atom_Stereo_Count	0
11396600	Hydrogen_Bond_Donor_Count	2
192925	Isotope_Atom_Count	0
13653621	Mono_Isotopic_Weight	420.22851697
91482	Hydrogen_Bond_Acceptor_Count	4
4426	Exact_Mass	445.20015635
2576	Covalent_Unit_Count	1
58657603	TPSA	98.7
13401731	Total_Formal_Charge	0
21061676	Defined_Bond_Stereo_Count	0
520190	Molecular_Weight	290.5
69558	Defined_Atom_Stereo_Count	0
60196293	Rotatable_Bond_Count	3
14626857	Covalent_Unit_Count	1
127657	XLogP3-AA	4.4
8101	Undefined_Bond_Stereo_Count	0
135409836	Hydrogen_Bond_Donor_Count	6
5166299	Defined_Atom_Stereo_Count	0
13018409	Undefined_Atom_Stereo_Count	0
20811708	Hydrogen_Bond_Donor_Count	0
65677	Mono_Isotopic_Weight	288.10964789
10239891	Isotope_Atom_Count	0
11572	Mono_Isotopic_Weight	96.093900383
2131	Defined_Atom_Stereo_Count	0
85989631	Non-hydrogen_Atom_Count	7
57399440	Total_Formal_Charge	0
12415356	TPSA	45.4
75564	Undefined_Atom_Stereo_Count	0
71306415	TPSA	210
24838350	Undefined_Bond_Stereo_Count	0
71950363	Hydrogen_Bond_Acceptor_Count	3
130149197	Hydrogen_Bond_Donor_Count	1
64761	Rotatable_Bond_Count	9
49865785	Rotatable_Bond_Count	5
4306558	Defined_Atom_Stereo_Count	0
21162824	Undefined_Bond_Stereo_Count	0
330	Undefined_Bond_Stereo_Count	0
46936871	Defined_Atom_Stereo_Count	5
7018	XLogP3	3.7
5362485	Undefined_Bond_Stereo_Count	0
21365956	Structure_Complexity	364
71820	Tautomer_Count	1
44126086	TPSA	106
20729555	Exact_Mass	114.104465066
82145	Defined_Atom_Stereo_Count	0
235713	Exact_Mass	182.03275668
9954280	Rotatable_Bond_Count	5
5364579	Exact_Mass	98.073164938
90479422	Covalent_Unit_Count	1
13795008	Undefined_Atom_Stereo_Count	0
20055404	Defined_Bond_Stereo_Count	0
20791685	Exact_Mass	111.079647300
46693	Defined_Atom_Stereo_Count	0
129726370	Hydrogen_Bond_Acceptor_Count	2
439935	Hydrogen_Bond_Donor_Count	2
122534114	Undefined_Bond_Stereo_Count	0
45484851	Hydrogen_Bond_Acceptor_Count	3
60202105	Molecular_Weight	461.5
122241575	TPSA	54
31255	Total_Formal_Charge	0
57400037	Rotatable_Bond_Count	3
119432	TPSA	1
71587897	TPSA	124
8110	Undefined_Bond_Stereo_Count	0
73977874	Mono_Isotopic_Weight	110.073164938
74086836	Hydrogen_Bond_Acceptor_Count	4
40468	Isotope_Atom_Count	0
22341299	Hydrogen_Bond_Acceptor_Count	4
41353	Undefined_Bond_Stereo_Count	0
121877	Total_Formal_Charge	0
83949	Structure_Complexity	1210
33671	Molecular_Weight	251.28
12536	Non-hydrogen_Atom_Count	30
30550	Molecular_Weight	770.6
968625	Mono_Isotopic_Weight	330.10381361
5780	Undefined_Bond_Stereo_Count	0
65063	Total_Formal_Charge	0
102004403	Hydrogen_Bond_Donor_Count	11
24721009	Hydrogen_Bond_Donor_Count	2
715	Undefined_Bond_Stereo_Count	0
13021	Structure_Complexity	84.3
444590	Rotatable_Bond_Count	18
69896	Structure_Complexity	191
13019068	Defined_Atom_Stereo_Count	3
13190	Exact_Mass	154.172150702
7567277	Non-hydrogen_Atom_Count	11
18137	Exact_Mass	198.07122084
12431582	XLogP3-AA	1.6
663	Undefined_Bond_Stereo_Count	0
6586	XLogP3-AA	1.2
450503	Rotatable_Bond_Count	1
123268	Hydrogen_Bond_Acceptor_Count	2
17166	Hydrogen_Bond_Donor_Count	0
11954316	Undefined_Bond_Stereo_Count	0
12550422	Defined_Bond_Stereo_Count	0
123404946	TPSA	23.8
16665	Structure_Complexity	48
25077533	Hydrogen_Bond_Acceptor_Count	16
123645524	Non-hydrogen_Atom_Count	85
289151	Isotope_Atom_Count	0
56160	Exact_Mass	414.0400831
86278368	Exact_Mass	790.20636393
25271860	Defined_Atom_Stereo_Count	1
257501	Covalent_Unit_Count	1
16950	Covalent_Unit_Count	1
71335300	Undefined_Bond_Stereo_Count	0
16051584	Rotatable_Bond_Count	6
141343693	Covalent_Unit_Count	1
443156	Hydrogen_Bond_Acceptor_Count	0
23378923	Hydrogen_Bond_Acceptor_Count	1
63255	Exact_Mass	288.07103389
131167766	Total_Formal_Charge	0
41787	Undefined_Bond_Stereo_Count	0
12891182	Rotatable_Bond_Count	0
57869404	Defined_Atom_Stereo_Count	0
24350	Mono_Isotopic_Weight	189.83407
72200863	Defined_Bond_Stereo_Count	0
62773515	Covalent_Unit_Count	1
163050674	Hydrogen_Bond_Donor_Count	1
70014	Exact_Mass	189.00380189
120738	Rotatable_Bond_Count	4
1083	Defined_Bond_Stereo_Count	0
19137	Hydrogen_Bond_Acceptor_Count	3
159027	Molecular_Weight	127.18
69676	Rotatable_Bond_Count	1
9430	Mono_Isotopic_Weight	226.146998583
208954	Defined_Atom_Stereo_Count	0
40903	Covalent_Unit_Count	1
136501	Tautomer_Count	1
68321802	Structure_Complexity	686
6263	Rotatable_Bond_Count	2
21041051	Covalent_Unit_Count	1
6436223	Non-hydrogen_Atom_Count	44
16052015	Undefined_Atom_Stereo_Count	2
25223	Covalent_Unit_Count	1
54239709	Isotope_Atom_Count	0
151194	Defined_Atom_Stereo_Count	0
46216142	Hydrogen_Bond_Acceptor_Count	8
7319	Non-hydrogen_Atom_Count	13
291730	Covalent_Unit_Count	1
5466987	Undefined_Atom_Stereo_Count	2
8657	Defined_Atom_Stereo_Count	0
23672293	Non-hydrogen_Atom_Count	12
23248	Molecular_Weight	222.28
79242	Hydrogen_Bond_Donor_Count	2
13562	Covalent_Unit_Count	1
8125	Mono_Isotopic_Weight	112.125200510
139254656	Isotope_Atom_Count	0
56769	Hydrogen_Bond_Acceptor_Count	0
118264	Exact_Mass	266.0822054
50896	Total_Formal_Charge	0
135459219	Undefined_Bond_Stereo_Count	0
197081	Tautomer_Count	171
2329	Mono_Isotopic_Weight	404.13722174
5367706	Structure_Complexity	203
46236925	Defined_Bond_Stereo_Count	0
21718085	Undefined_Atom_Stereo_Count	2
58935140	TPSA	29.1
134338399	Covalent_Unit_Count	1
54144903	Undefined_Atom_Stereo_Count	1
54519	Hydrogen_Bond_Donor_Count	2
78609	Molecular_Weight	434.5
102106219	Non-hydrogen_Atom_Count	11
6537	XLogP3-AA	8.9
14089202	Total_Formal_Charge	0
182511	Non-hydrogen_Atom_Count	14
121493082	Isotope_Atom_Count	0
24748573	Defined_Atom_Stereo_Count	0
5195	Undefined_Atom_Stereo_Count	1
7747	Hydrogen_Bond_Acceptor_Count	3
53779803	Exact_Mass	86.073164938
442072	Total_Formal_Charge	0
95767	Structure_Complexity	178
134587348	Defined_Atom_Stereo_Count	1
7092	Defined_Bond_Stereo_Count	0
2844	Hydrogen_Bond_Donor_Count	5
141466486	Molecular_Weight	98.10
12498	Structure_Complexity	292
373077	Rotatable_Bond_Count	0
11009	Hydrogen_Bond_Acceptor_Count	2
14841958	Defined_Bond_Stereo_Count	0
7463	Rotatable_Bond_Count	1
12574	Covalent_Unit_Count	1
12842	Rotatable_Bond_Count	2
15041624	Total_Formal_Charge	0
25162932	Mono_Isotopic_Weight	239.0951158
20350152	XLogP3-AA	0.6
45358975	TPSA	7.8
607248	Non-hydrogen_Atom_Count	12
184366	Isotope_Atom_Count	0
11229455	XLogP3-AA	0.9
22086042	XLogP3-AA	1.5
4523333	Molecular_Weight	151.14
12011	Defined_Bond_Stereo_Count	0
448374	Mono_Isotopic_Weight	267.09675391
612743	Defined_Atom_Stereo_Count	0
159738	Total_Formal_Charge	0
56631355	Structure_Complexity	120
86260	Mono_Isotopic_Weight	373.839331
13573327	Non-hydrogen_Atom_Count	8
6473883	Structure_Complexity	1300
7315	Isotope_Atom_Count	0
80416	Undefined_Atom_Stereo_Count	0
44310763	Covalent_Unit_Count	1
11286436	Molecular_Weight	73.09
2833	TPSA	83.1
135348034	Exact_Mass	111.043261792
123424	Isotope_Atom_Count	0
7842	Hydrogen_Bond_Acceptor_Count	0
53404864	Exact_Mass	100.088815002
612687	Mono_Isotopic_Weight	218.03275668
18397995	Mono_Isotopic_Weight	645.24801352
230351	Rotatable_Bond_Count	0
90829381	Total_Formal_Charge	0
2734229	Structure_Complexity	206
12760717	Exact_Mass	98.059246208
64061	Covalent_Unit_Count	3
89724935	Structure_Complexity	122
81766	Tautomer_Count	1
8581	Tautomer_Count	414
11485656	Mono_Isotopic_Weight	375.14953838
229932	Hydrogen_Bond_Donor_Count	1
70695654	Structure_Complexity	1000
186044	Exact_Mass	101.047678466
101534	Undefined_Atom_Stereo_Count	1
89162	Covalent_Unit_Count	2
29089	Hydrogen_Bond_Donor_Count	18
127053480	Isotope_Atom_Count	0
7852	Exact_Mass	59.073499291
57394021	Non-hydrogen_Atom_Count	32
3284	Structure_Complexity	220
31877	Covalent_Unit_Count	1
21225236	Covalent_Unit_Count	1
12117	Non-hydrogen_Atom_Count	16
103940	Exact_Mass	154.135765193
8058	Covalent_Unit_Count	1
11633904	Hydrogen_Bond_Donor_Count	1
11264	Defined_Atom_Stereo_Count	0
81909	XLogP3	2
119346	Hydrogen_Bond_Acceptor_Count	1
24845095	Mono_Isotopic_Weight	337.1193192
27655	Exact_Mass	151.9876363
84141	Non-hydrogen_Atom_Count	17
21430317	Undefined_Atom_Stereo_Count	2
2173	Structure_Complexity	556
2406	Defined_Atom_Stereo_Count	0
46841787	Hydrogen_Bond_Donor_Count	1
16683023	Defined_Atom_Stereo_Count	0
160508452	Defined_Bond_Stereo_Count	0
10953456	Undefined_Bond_Stereo_Count	0
21578704	Undefined_Bond_Stereo_Count	0
45027815	TPSA	163
4224596	Mono_Isotopic_Weight	207.01159025
26248	Hydrogen_Bond_Acceptor_Count	8
123618563	Hydrogen_Bond_Donor_Count	0
71560537	Non-hydrogen_Atom_Count	18
4323	Hydrogen_Bond_Donor_Count	4
21078422	Defined_Atom_Stereo_Count	0
78014	Total_Formal_Charge	0
5281233	Mono_Isotopic_Weight	976.37875290
53699081	Total_Formal_Charge	0
5413034	Non-hydrogen_Atom_Count	19
70697352	Total_Formal_Charge	0
125889	Hydrogen_Bond_Donor_Count	2
135408964	Mono_Isotopic_Weight	452.2230560
55300028	Hydrogen_Bond_Acceptor_Count	1
6364671	Isotope_Atom_Count	0
3033226	Exact_Mass	289.07726451
1098	Mono_Isotopic_Weight	864.30653146
541123	Defined_Atom_Stereo_Count	0
8550	Total_Formal_Charge	0
9099	Non-hydrogen_Atom_Count	11
2423	Total_Formal_Charge	0
88789571	Defined_Bond_Stereo_Count	0
50516	Non-hydrogen_Atom_Count	35
137075	XLogP3	1.6
60196329	Defined_Bond_Stereo_Count	1
34636	Tautomer_Count	1
61293	TPSA	46.5
16431	Defined_Bond_Stereo_Count	0
14815775	XLogP3-AA	0.1
5077	Rotatable_Bond_Count	5
97469	Non-hydrogen_Atom_Count	12
24012	Defined_Atom_Stereo_Count	0
29845	XLogP3	2.7
119057560	Isotope_Atom_Count	4
10486817	Structure_Complexity	104
3002335	Molecular_Weight	511.6
449085	Molecular_Weight	124.08
23533322	XLogP3-AA	2.3
694743	Rotatable_Bond_Count	5
6603856	Undefined_Atom_Stereo_Count	0
135449281	Molecular_Weight	268.23
7656	Rotatable_Bond_Count	4
513	Molecular_Weight	206.15
91532137	Defined_Bond_Stereo_Count	0
893562	Mono_Isotopic_Weight	286.9574550
9048976	Rotatable_Bond_Count	7
11707110	Rotatable_Bond_Count	5
123690360	Undefined_Bond_Stereo_Count	0
9838022	Exact_Mass	221.177964357
197490	Defined_Bond_Stereo_Count	0
5388977	Structure_Complexity	585
1490119	Defined_Bond_Stereo_Count	0
11553983	Mono_Isotopic_Weight	440.22122615
201136	Defined_Bond_Stereo_Count	0
27868	Isotope_Atom_Count	0
64927	Defined_Bond_Stereo_Count	0
10866664	Molecular_Weight	164.16
16129617	Defined_Atom_Stereo_Count	21
9568628	Covalent_Unit_Count	1
12647151	Covalent_Unit_Count	1
79724	Hydrogen_Bond_Donor_Count	2
1639	Total_Formal_Charge	0
9583	Total_Formal_Charge	0
13838546	Exact_Mass	110.048012819
126992483	Total_Formal_Charge	0
2810830	Isotope_Atom_Count	0
14957	Exact_Mass	548.27338086
5003059	Covalent_Unit_Count	1
643327	Hydrogen_Bond_Acceptor_Count	3
45358158	Covalent_Unit_Count	1
85538	Undefined_Atom_Stereo_Count	0
101800463	TPSA	19
13758360	Defined_Atom_Stereo_Count	0
46878493	XLogP3-AA	0.6
11440492	Total_Formal_Charge	0
6433513	Total_Formal_Charge	0
254	Covalent_Unit_Count	1
30468	Defined_Bond_Stereo_Count	0
154417	XLogP3	1.8
44345361	Defined_Bond_Stereo_Count	0
9936727	Exact_Mass	527.27304650
21958	Non-hydrogen_Atom_Count	7
694856	Isotope_Atom_Count	0
135531169	XLogP3-AA	2.7
15535273	Exact_Mass	96.057514874
71346	Undefined_Bond_Stereo_Count	0
6632	Undefined_Atom_Stereo_Count	2
18757800	Non-hydrogen_Atom_Count	10
32209	Non-hydrogen_Atom_Count	19
19802062	TPSA	64.2
24818	Mono_Isotopic_Weight	267.75064
39175	Undefined_Bond_Stereo_Count	0
7430	Molecular_Weight	207.01
9885981	Hydrogen_Bond_Acceptor_Count	5
20333380	Rotatable_Bond_Count	0
195432	TPSA	118
19348604	Total_Formal_Charge	0
12746998	Isotope_Atom_Count	0
26361	Structure_Complexity	297
71459864	Defined_Atom_Stereo_Count	8
894	TPSA	166
8961	Tautomer_Count	6
80618	Isotope_Atom_Count	0
11148955	Isotope_Atom_Count	0
7242	Hydrogen_Bond_Acceptor_Count	1
137967	Rotatable_Bond_Count	0
46781459	Defined_Atom_Stereo_Count	4
19601937	Isotope_Atom_Count	0
643941	TPSA	17.1
87934	Hydrogen_Bond_Donor_Count	0
5282402	Mono_Isotopic_Weight	373.1444713
2735122	Molecular_Weight	84.116
8784	Rotatable_Bond_Count	2
19078026	Undefined_Atom_Stereo_Count	2
25023847	Covalent_Unit_Count	1
87426124	Isotope_Atom_Count	0
557816	Non-hydrogen_Atom_Count	8
9678	Defined_Bond_Stereo_Count	0
5479529	Hydrogen_Bond_Acceptor_Count	10
413518	Defined_Atom_Stereo_Count	0
68928	Isotope_Atom_Count	0
64972	TPSA	65
3797915	Hydrogen_Bond_Acceptor_Count	1
34192	Structure_Complexity	213
54129211	Molecular_Weight	94.11
529272	Non-hydrogen_Atom_Count	8
24822701	Isotope_Atom_Count	0
13331	TPSA	20.3
5281006	Undefined_Bond_Stereo_Count	0
53983207	Structure_Complexity	113
70789955	Total_Formal_Charge	0
267493	Covalent_Unit_Count	1
130006807	Defined_Atom_Stereo_Count	0
21333560	Molecular_Weight	99.13
170234	Defined_Bond_Stereo_Count	0
24833843	Molecular_Weight	500.6
15793001	XLogP3-AA	0.2
57392006	XLogP3-AA	3.3
6453851	Total_Formal_Charge	1
24748573	Molecular_Weight	349.8
55917	Mono_Isotopic_Weight	276.0777887
91599894	Rotatable_Bond_Count	0
15216102	Covalent_Unit_Count	1
25023855	Isotope_Atom_Count	0
398513	Mono_Isotopic_Weight	578.02108976
11715767	TPSA	57.8
11890	Undefined_Atom_Stereo_Count	0
12298493	Exact_Mass	109.052763847
7019255	Molecular_Weight	254.4
20011	Mono_Isotopic_Weight	250.0752019
92775	Structure_Complexity	371
63958	XLogP3-AA	2.4
6443013	Non-hydrogen_Atom_Count	21
707094	Covalent_Unit_Count	1
6433272	Undefined_Bond_Stereo_Count	0
444215	Isotope_Atom_Count	0
15731	Undefined_Bond_Stereo_Count	0
163957061	Structure_Complexity	40.7
6641	Undefined_Atom_Stereo_Count	0
154016567	Defined_Bond_Stereo_Count	0
21662383	Hydrogen_Bond_Acceptor_Count	1
13083763	XLogP3-AA	1.4
10237	XLogP3-AA	2.6
61585	Non-hydrogen_Atom_Count	18
11284883	Rotatable_Bond_Count	0
63036	Undefined_Bond_Stereo_Count	0
525128	Defined_Atom_Stereo_Count	0
5798	Exact_Mass	118.053098200
66494	TPSA	77.8
15951	Structure_Complexity	176
101059324	Defined_Atom_Stereo_Count	0
42645244	Non-hydrogen_Atom_Count	35
58777015	Hydrogen_Bond_Donor_Count	4
132472265	Structure_Complexity	1970
14601425	Undefined_Bond_Stereo_Count	0
12668	Molecular_Weight	162.27
12321786	Undefined_Bond_Stereo_Count	0
5461012	XLogP3-AA	6.8
57091294	Hydrogen_Bond_Donor_Count	1
15206	TPSA	20.2
129794341	Undefined_Bond_Stereo_Count	0
69027241	Structure_Complexity	137
88423	XLogP3	3.2
11954230	Mono_Isotopic_Weight	364.1376123
6433101	Molecular_Weight	452.5
135402009	Defined_Atom_Stereo_Count	0
3274	Rotatable_Bond_Count	5
2896	Structure_Complexity	178
54152337	Defined_Bond_Stereo_Count	0
47519	Structure_Complexity	54
2752445	Non-hydrogen_Atom_Count	7
66747531	TPSA	38.1
755686	Non-hydrogen_Atom_Count	17
67030919	Structure_Complexity	68.6
132274082	Undefined_Atom_Stereo_Count	2
11120	Undefined_Bond_Stereo_Count	0
118701498	Hydrogen_Bond_Acceptor_Count	3
135423792	Isotope_Atom_Count	0
22612	TPSA	38
11865410	Isotope_Atom_Count	0
78130	TPSA	20.2
54605501	Isotope_Atom_Count	0
9901617	Molecular_Weight	320.3
14962	Mono_Isotopic_Weight	623.21150888
20709675	Molecular_Weight	115.13
84811	Non-hydrogen_Atom_Count	14
14852098	Total_Formal_Charge	0
67214459	Total_Formal_Charge	0
10701	Non-hydrogen_Atom_Count	8
44629543	Structure_Complexity	1090
646135	Hydrogen_Bond_Donor_Count	2
551630	Exact_Mass	207.125928785
55067	Non-hydrogen_Atom_Count	10
15950085	Covalent_Unit_Count	1
99071	Undefined_Atom_Stereo_Count	1
21255491	Molecular_Weight	108.18
57782	Structure_Complexity	390
87292009	Mono_Isotopic_Weight	110.073164938
64624	Tautomer_Count	1
136887	Mono_Isotopic_Weight	110.073164938
28788	Hydrogen_Bond_Donor_Count	1
21917771	Hydrogen_Bond_Acceptor_Count	2
3387354	Molecular_Weight	393.4
11388	Hydrogen_Bond_Donor_Count	1
235713	Hydrogen_Bond_Donor_Count	2
13924394	Defined_Atom_Stereo_Count	0
56845689	Total_Formal_Charge	0
65217	Hydrogen_Bond_Acceptor_Count	5
23664294	Structure_Complexity	290
76374506	Molecular_Weight	541.6
320410	Defined_Bond_Stereo_Count	0
21638785	Mono_Isotopic_Weight	263.0825398
9967941	Mono_Isotopic_Weight	343.17969569
9915861	Undefined_Bond_Stereo_Count	0
13570516	Defined_Atom_Stereo_Count	0
276561	XLogP3-AA	0.9
12639	Undefined_Bond_Stereo_Count	0
86412	Undefined_Atom_Stereo_Count	0
5275508	Non-hydrogen_Atom_Count	18
19006610	Exact_Mass	114.104465066
77603	Hydrogen_Bond_Acceptor_Count	2
16404350	Hydrogen_Bond_Acceptor_Count	12
13651872	Rotatable_Bond_Count	1
3011721	Hydrogen_Bond_Acceptor_Count	6
521158	Hydrogen_Bond_Donor_Count	1
5284360	Isotope_Atom_Count	0
148466782	Mono_Isotopic_Weight	113.084063974
20652880	Hydrogen_Bond_Donor_Count	2
1174	Isotope_Atom_Count	0
86583	TPSA	20.2
1223	Total_Formal_Charge	0
71890	TPSA	76.7
5371560	TPSA	65.1
131698851	Non-hydrogen_Atom_Count	51
46916280	Total_Formal_Charge	0
90936519	Mono_Isotopic_Weight	1201.84136802
13203	Hydrogen_Bond_Donor_Count	0
72462	Hydrogen_Bond_Donor_Count	2
3058221	Defined_Bond_Stereo_Count	0
11449	Isotope_Atom_Count	0
968645	Non-hydrogen_Atom_Count	18
1756	Mono_Isotopic_Weight	187.038176411
3000346	TPSA	99.1
11399084	Undefined_Bond_Stereo_Count	0
73695606	Rotatable_Bond_Count	1
61631	Hydrogen_Bond_Acceptor_Count	2
68617	Non-hydrogen_Atom_Count	20
23114997	Hydrogen_Bond_Acceptor_Count	1
141350568	Total_Formal_Charge	0
179212	Defined_Atom_Stereo_Count	0
277826	Hydrogen_Bond_Acceptor_Count	1
15480320	Mono_Isotopic_Weight	257.99075
3480138	Covalent_Unit_Count	1
6125	Exact_Mass	133.95919704
8113	Rotatable_Bond_Count	4
2776	Hydrogen_Bond_Acceptor_Count	4
15086	Hydrogen_Bond_Acceptor_Count	0
10966200	Molecular_Weight	226.27
23392960	Undefined_Bond_Stereo_Count	0
3466040	Defined_Bond_Stereo_Count	0
83270	TPSA	46.2
3392178	Isotope_Atom_Count	0
65217	Undefined_Bond_Stereo_Count	0
11731	Hydrogen_Bond_Donor_Count	1
688272	Total_Formal_Charge	0
18759351	XLogP3-AA	0.3
571	Non-hydrogen_Atom_Count	19
8351	TPSA	3.2
342238	Isotope_Atom_Count	0
71302984	Isotope_Atom_Count	0
38439	Exact_Mass	355.854618
74484	Rotatable_Bond_Count	1
180335	Molecular_Weight	351.9
78027	Undefined_Atom_Stereo_Count	0
44521022	Mono_Isotopic_Weight	453.21647512
74523	Molecular_Weight	172.27
31202	Covalent_Unit_Count	2
11503827	Mono_Isotopic_Weight	474.1710204
13684981	Defined_Atom_Stereo_Count	0
55299073	Isotope_Atom_Count	0
135546259	Hydrogen_Bond_Donor_Count	7
216235	Undefined_Bond_Stereo_Count	0
31368	Structure_Complexity	83.1
84731066	Covalent_Unit_Count	1
11675994	Covalent_Unit_Count	1
3225	Defined_Atom_Stereo_Count	0
73509	Covalent_Unit_Count	1
5543	Mono_Isotopic_Weight	303.001818
659840	Isotope_Atom_Count	0
135513268	Undefined_Bond_Stereo_Count	0
57357187	Non-hydrogen_Atom_Count	18
3702	Exact_Mass	365.0600902
62379	Hydrogen_Bond_Donor_Count	0
2557	Mono_Isotopic_Weight	236.09094026
12661198	TPSA	25.1
535634	Structure_Complexity	83.4
18928374	Covalent_Unit_Count	1
11539562	TPSA	93.7
33263	Rotatable_Bond_Count	5
18956015	Rotatable_Bond_Count	0
4205687	Defined_Atom_Stereo_Count	0
6344	Mono_Isotopic_Weight	83.9533555
12248569	XLogP3-AA	0.9
565589	Defined_Atom_Stereo_Count	0
14463	Rotatable_Bond_Count	3
3032307	Molecular_Weight	288.4
95005	Defined_Bond_Stereo_Count	0
15721166	Non-hydrogen_Atom_Count	8
304265	Exact_Mass	108.068748264
133676174	TPSA	20.2
117783900	Undefined_Atom_Stereo_Count	3
75598	Isotope_Atom_Count	0
80837	Hydrogen_Bond_Donor_Count	2
5193	Mono_Isotopic_Weight	238.13174244
49091	Isotope_Atom_Count	0
24840945	Defined_Bond_Stereo_Count	0
23689390	Defined_Bond_Stereo_Count	0
44338967	Defined_Atom_Stereo_Count	0
5287971	Hydrogen_Bond_Acceptor_Count	8
86784	Defined_Atom_Stereo_Count	0
136270342	Molecular_Weight	99.09
38350	Undefined_Atom_Stereo_Count	0
123611	Undefined_Atom_Stereo_Count	1
3000469	Undefined_Bond_Stereo_Count	0
166473353	Total_Formal_Charge	0
4584	Non-hydrogen_Atom_Count	57
87394	Hydrogen_Bond_Donor_Count	0
70023156	Structure_Complexity	140
61315	Total_Formal_Charge	0
37720	Covalent_Unit_Count	1
122073	Hydrogen_Bond_Acceptor_Count	9
86851	Structure_Complexity	121
102175	Hydrogen_Bond_Donor_Count	4
144147883	Undefined_Bond_Stereo_Count	0
3531736	XLogP3-AA	5.1
247704	TPSA	72.7
98930	Undefined_Atom_Stereo_Count	1
18755330	Hydrogen_Bond_Donor_Count	2
14707	Rotatable_Bond_Count	3
5281067	Total_Formal_Charge	0
40602794	Molecular_Weight	170.08
60820	Exact_Mass	421.27292737
521796	Hydrogen_Bond_Donor_Count	0
405012	Hydrogen_Bond_Acceptor_Count	3
1745	Molecular_Weight	98.10
53562	Structure_Complexity	343
69462	Hydrogen_Bond_Acceptor_Count	4
8078	Exact_Mass	84.093900383
57401151	Covalent_Unit_Count	1
42108	Rotatable_Bond_Count	4
5388962	Undefined_Atom_Stereo_Count	0
8028	Undefined_Atom_Stereo_Count	0
2724275	Undefined_Bond_Stereo_Count	0
398655	Exact_Mass	431.0520275
65628	Defined_Atom_Stereo_Count	0
1645	Hydrogen_Bond_Donor_Count	2
11081093	Isotope_Atom_Count	0
5311110	Total_Formal_Charge	0
71395877	Isotope_Atom_Count	0
48276	TPSA	30.7
11837140	Hydrogen_Bond_Donor_Count	1
307	Mono_Isotopic_Weight	132.057514874
478951	TPSA	195
91259187	Defined_Bond_Stereo_Count	0
104774	Hydrogen_Bond_Acceptor_Count	4
4468	Total_Formal_Charge	0
37933	Defined_Bond_Stereo_Count	0
65701	Exact_Mass	295.204847810
11432	Structure_Complexity	38.8
11207217	Isotope_Atom_Count	0
9908306	Rotatable_Bond_Count	4
71206	Non-hydrogen_Atom_Count	49
57396214	Hydrogen_Bond_Acceptor_Count	5
18475804	Rotatable_Bond_Count	2
15639205	Tautomer_Count	1
32346	Defined_Bond_Stereo_Count	0
154170332	Undefined_Bond_Stereo_Count	0
130054486	XLogP3-AA	0.6
13346	Tautomer_Count	1
13528	Mono_Isotopic_Weight	104.0028925
93078	Defined_Atom_Stereo_Count	2
16564	TPSA	82.9
88984133	Exact_Mass	104.094963011
90394	Hydrogen_Bond_Donor_Count	3
70689385	XLogP3-AA	2.6
136362	Mono_Isotopic_Weight	88.100048391
20087060	Molecular_Weight	115.13
53405	Hydrogen_Bond_Donor_Count	2
10555851	Total_Formal_Charge	0
12040	Covalent_Unit_Count	1
28693	Exact_Mass	403.22597718
127527	Undefined_Atom_Stereo_Count	0
20165534	Covalent_Unit_Count	1
23663624	Undefined_Bond_Stereo_Count	0
78723	Hydrogen_Bond_Donor_Count	1
24769	Defined_Atom_Stereo_Count	0
6602378	Defined_Bond_Stereo_Count	1
40855	Covalent_Unit_Count	1
148680795	Undefined_Bond_Stereo_Count	0
17694	Rotatable_Bond_Count	5
903738	Defined_Bond_Stereo_Count	0
27923	Structure_Complexity	90.6
169235	Non-hydrogen_Atom_Count	17
21930930	Total_Formal_Charge	0
5363527	Structure_Complexity	185
9585	Hydrogen_Bond_Donor_Count	3
69238	Hydrogen_Bond_Acceptor_Count	3
3801	Undefined_Bond_Stereo_Count	1
16682828	Undefined_Atom_Stereo_Count	0
12870589	Isotope_Atom_Count	0
83335	XLogP3	3.2
30468	Molecular_Weight	218.08
71987	Non-hydrogen_Atom_Count	18
11715767	XLogP3-AA	0.6
19420003	Rotatable_Bond_Count	1
135398599	Isotope_Atom_Count	0
54267	Hydrogen_Bond_Donor_Count	0
90997839	Exact_Mass	904.44565070
20190406	Undefined_Bond_Stereo_Count	0
6907	Exact_Mass	511.60339
9885355	Undefined_Atom_Stereo_Count	0
24892842	Undefined_Atom_Stereo_Count	1
71309028	Undefined_Atom_Stereo_Count	0
5353355	Mono_Isotopic_Weight	318.21949481
7856	Structure_Complexity	41.2
98521	Hydrogen_Bond_Donor_Count	1
60575	Undefined_Bond_Stereo_Count	0
57131009	Defined_Atom_Stereo_Count	0
61908709	Non-hydrogen_Atom_Count	8
77345	Undefined_Atom_Stereo_Count	0
449107	Molecular_Weight	531.7
65565	Total_Formal_Charge	0
3424274	Structure_Complexity	201
2378	Hydrogen_Bond_Donor_Count	0
448209	Undefined_Atom_Stereo_Count	0
12023383	Exact_Mass	102.068079557
102967	Defined_Atom_Stereo_Count	0
2818985	Non-hydrogen_Atom_Count	26
7212	XLogP3	3.8
84463	Rotatable_Bond_Count	6
307976	Rotatable_Bond_Count	0
636367	Total_Formal_Charge	0
24795070	Undefined_Atom_Stereo_Count	0
8681	Rotatable_Bond_Count	4
147895	TPSA	231
157355	Undefined_Atom_Stereo_Count	0
232080	Rotatable_Bond_Count	4
4168142	Hydrogen_Bond_Acceptor_Count	14
9929901	Molecular_Weight	382.6
12787246	Defined_Bond_Stereo_Count	0
5289590	Hydrogen_Bond_Donor_Count	4
522693	Defined_Atom_Stereo_Count	0
440966	Mono_Isotopic_Weight	136.125200510
4646	XLogP3	1.6
72765870	Exact_Mass	251.094628657
65464	Structure_Complexity	344
60595	Hydrogen_Bond_Donor_Count	0
31326	Undefined_Bond_Stereo_Count	0
86252	Hydrogen_Bond_Donor_Count	1
140519105	Molecular_Weight	97.12
10476254	TPSA	137
7832	Isotope_Atom_Count	0
32681	Defined_Bond_Stereo_Count	0
6669	Exact_Mass	294.12157168
439202	Hydrogen_Bond_Donor_Count	4
46225290	Rotatable_Bond_Count	4
68604	Covalent_Unit_Count	1
4471892	Non-hydrogen_Atom_Count	4
542446	Rotatable_Bond_Count	23
1437	Exact_Mass	322.25079494
22000495	Exact_Mass	101.047678466
139033724	Defined_Atom_Stereo_Count	31
4163	Covalent_Unit_Count	1
12599713	Undefined_Atom_Stereo_Count	2
57258462	Covalent_Unit_Count	1
19674	Total_Formal_Charge	0
15787	Non-hydrogen_Atom_Count	18
71081	XLogP3-AA	1
7921	Structure_Complexity	88.1
10898675	Covalent_Unit_Count	1
11843	Undefined_Atom_Stereo_Count	0
118797420	Rotatable_Bond_Count	1
12314120	Mono_Isotopic_Weight	548.29853298
424361	Defined_Atom_Stereo_Count	0
157	Covalent_Unit_Count	1
444025	Undefined_Atom_Stereo_Count	0
7499	Tautomer_Count	1
320263	TPSA	58
316797	Isotope_Atom_Count	0
16211409	Hydrogen_Bond_Donor_Count	0
91610	Covalent_Unit_Count	1
102491	Rotatable_Bond_Count	6
24149	Isotope_Atom_Count	0
12580	Covalent_Unit_Count	1
9482	Defined_Atom_Stereo_Count	0
8024	XLogP3-AA	1.3
65663	Undefined_Atom_Stereo_Count	0
25142176	Hydrogen_Bond_Acceptor_Count	6
460392	XLogP3-AA	4.1
18924614	Total_Formal_Charge	0
49769064	Total_Formal_Charge	0
20623556	Structure_Complexity	123
94169	Tautomer_Count	1
23450	Molecular_Weight	137.14
9960	Defined_Bond_Stereo_Count	0
123228414	Isotope_Atom_Count	0
69732358	Mono_Isotopic_Weight	100.100048391
86017	Non-hydrogen_Atom_Count	16
12723433	Structure_Complexity	78.6
15606	Isotope_Atom_Count	0
12734	Defined_Atom_Stereo_Count	0
6437064	Undefined_Atom_Stereo_Count	0
9520	Undefined_Bond_Stereo_Count	0
11416	Isotope_Atom_Count	0
81217	Hydrogen_Bond_Donor_Count	4
19390240	Rotatable_Bond_Count	3
146159812	XLogP3-AA	6
81876	Non-hydrogen_Atom_Count	19
10427712	Defined_Atom_Stereo_Count	0
3035187	Hydrogen_Bond_Acceptor_Count	5
6421	Covalent_Unit_Count	1
941385	TPSA	71.1
90202	Tautomer_Count	1
5361043	XLogP3-AA	2.2
83466	TPSA	18.5
23423585	Structure_Complexity	58.7
9953769	Non-hydrogen_Atom_Count	31
87863	Non-hydrogen_Atom_Count	23
11244031	Covalent_Unit_Count	1
23567810	Hydrogen_Bond_Donor_Count	0
8447	Rotatable_Bond_Count	3
122669	XLogP3-AA	1.8
139085	XLogP3-AA	3.4
44563066	Covalent_Unit_Count	1
135564558	Undefined_Atom_Stereo_Count	0
5271565	Exact_Mass	144.04225873
5282455	Total_Formal_Charge	0
941915	Rotatable_Bond_Count	1
7873	Molecular_Weight	290.19
20448998	Defined_Bond_Stereo_Count	0
152057	Hydrogen_Bond_Acceptor_Count	3
44401302	Rotatable_Bond_Count	9
130002904	Mono_Isotopic_Weight	114.068079557
17045	Hydrogen_Bond_Donor_Count	1
6441265	Mono_Isotopic_Weight	951.53172079
123841971	Defined_Bond_Stereo_Count	0
472812	Defined_Atom_Stereo_Count	0
858	TPSA	29.6
130025208	Total_Formal_Charge	0
80519	Undefined_Atom_Stereo_Count	0
13165124	Covalent_Unit_Count	1
442070	Rotatable_Bond_Count	1
12940701	Hydrogen_Bond_Donor_Count	0
53403600	Undefined_Atom_Stereo_Count	0
5366074	Molecular_Weight	190.28
67797735	Tautomer_Count	4
13297	Total_Formal_Charge	0
3037206	Defined_Atom_Stereo_Count	12
21826	Undefined_Bond_Stereo_Count	0
17930355	Isotope_Atom_Count	0
55250	Total_Formal_Charge	0
20011	Structure_Complexity	224
54517091	Exact_Mass	94.078250319
12085	Molecular_Weight	248.02
15950518	Isotope_Atom_Count	0
68850055	Undefined_Bond_Stereo_Count	0
14763103	Covalent_Unit_Count	1
14051	Hydrogen_Bond_Donor_Count	6
23616906	Hydrogen_Bond_Acceptor_Count	5
25058200	Tautomer_Count	1
36272	Hydrogen_Bond_Acceptor_Count	7
579675	Defined_Atom_Stereo_Count	0
123938	Undefined_Atom_Stereo_Count	0
85056	Undefined_Atom_Stereo_Count	0
97127	Hydrogen_Bond_Donor_Count	0
71584166	Rotatable_Bond_Count	4
104610	Rotatable_Bond_Count	3
136433	Defined_Atom_Stereo_Count	0
32266	Rotatable_Bond_Count	4
49866023	Defined_Atom_Stereo_Count	2
266	Hydrogen_Bond_Donor_Count	2
5460221	Exact_Mass	281.248055291
11593706	Undefined_Bond_Stereo_Count	0
2905	Non-hydrogen_Atom_Count	21
157356129	Molecular_Weight	108.18
119607	Rotatable_Bond_Count	3
2683	XLogP3-AA	8.7
64769	Mono_Isotopic_Weight	368.1350288
17857	XLogP3-AA	1.1
59864	Hydrogen_Bond_Donor_Count	0
6247	Structure_Complexity	206
20591	XLogP3-AA	1.1
76442017	Exact_Mass	114.068079557
65984620	Mono_Isotopic_Weight	112.052429494
2761399	XLogP3	0.4
278715	Hydrogen_Bond_Donor_Count	0
12919209	XLogP3-AA	0.5
9824131	Undefined_Bond_Stereo_Count	0
52660	Undefined_Atom_Stereo_Count	3
37251	Non-hydrogen_Atom_Count	20
601293	Hydrogen_Bond_Acceptor_Count	2
92180	Non-hydrogen_Atom_Count	15
4394	Exact_Mass	456.27365564
77342	Total_Formal_Charge	0
108032	Isotope_Atom_Count	0
95259	Undefined_Bond_Stereo_Count	0
7282	Undefined_Atom_Stereo_Count	0
11093	Tautomer_Count	1
70590037	Covalent_Unit_Count	4
86388	TPSA	70.3
10180	Undefined_Atom_Stereo_Count	0
87155	Molecular_Weight	178.18
25147683	Tautomer_Count	1
634876	Total_Formal_Charge	0
138813	XLogP3-AA	0.9
157690	Isotope_Atom_Count	0
59970187	Undefined_Bond_Stereo_Count	0
62572	Hydrogen_Bond_Donor_Count	1
48362	Covalent_Unit_Count	1
18622377	Defined_Bond_Stereo_Count	0
72014	Undefined_Bond_Stereo_Count	0
6175	Defined_Atom_Stereo_Count	4
13367	Defined_Atom_Stereo_Count	0
11862	Total_Formal_Charge	0
23680156	Defined_Atom_Stereo_Count	0
443935	Rotatable_Bond_Count	0
77946	Covalent_Unit_Count	1
915	Total_Formal_Charge	0
463694	Mono_Isotopic_Weight	272.07970687
21696748	Hydrogen_Bond_Donor_Count	1
88974	Rotatable_Bond_Count	0
14246795	Structure_Complexity	124
67520	Structure_Complexity	37
13233	Rotatable_Bond_Count	0
62311	Defined_Bond_Stereo_Count	0
81455	Hydrogen_Bond_Donor_Count	0
53315139	Hydrogen_Bond_Acceptor_Count	24
751505	Covalent_Unit_Count	1
2666	Undefined_Bond_Stereo_Count	0
13668	Hydrogen_Bond_Acceptor_Count	3
91469	Total_Formal_Charge	0
82313	Tautomer_Count	2
143686076	TPSA	12
22928648	Hydrogen_Bond_Donor_Count	1
12599701	Structure_Complexity	63.1
18403043	Undefined_Atom_Stereo_Count	2
8658	Covalent_Unit_Count	1
25913	TPSA	0
84361	Defined_Atom_Stereo_Count	0
825229	Isotope_Atom_Count	0
27383	Exact_Mass	271.0975211
54710618	Rotatable_Bond_Count	1
68745	Total_Formal_Charge	0
60155184	Undefined_Atom_Stereo_Count	0
24207195	Defined_Atom_Stereo_Count	9
731455	Defined_Bond_Stereo_Count	0
2762874	Defined_Atom_Stereo_Count	0
76469	Isotope_Atom_Count	0
70610	Rotatable_Bond_Count	5
8449	Isotope_Atom_Count	0
77529	Structure_Complexity	138
44144393	Covalent_Unit_Count	1
8815	Undefined_Atom_Stereo_Count	0
93189	Exact_Mass	178.135765193
9795291	Isotope_Atom_Count	0
68013637	Defined_Atom_Stereo_Count	4
77574	Isotope_Atom_Count	0
27182	Mono_Isotopic_Weight	269.177964357
29801	Covalent_Unit_Count	2
23831	Undefined_Bond_Stereo_Count	0
87370	Hydrogen_Bond_Acceptor_Count	1
90488948	Covalent_Unit_Count	1
1466	Covalent_Unit_Count	1
10975436	Rotatable_Bond_Count	0
123676075	Rotatable_Bond_Count	1
124524088	Hydrogen_Bond_Acceptor_Count	16
6857686	TPSA	37.3
442021	TPSA	51.2
137117239	Molecular_Weight	835.0
169952	Undefined_Bond_Stereo_Count	0
45375806	Covalent_Unit_Count	1
66612869	Exact_Mass	114.104465066
72200670	Isotope_Atom_Count	0
20626690	Hydrogen_Bond_Donor_Count	1
519559	Tautomer_Count	2
21326601	Molecular_Weight	116.16
12281	Hydrogen_Bond_Donor_Count	1
83553	Isotope_Atom_Count	0
68127236	Structure_Complexity	157
91601	Rotatable_Bond_Count	12
3036222	Covalent_Unit_Count	1
5477380	Hydrogen_Bond_Acceptor_Count	7
3996620	Covalent_Unit_Count	1
103564347	Undefined_Bond_Stereo_Count	0
12547675	Isotope_Atom_Count	0
118163156	XLogP3-AA	5.9
2430	Covalent_Unit_Count	1
107243	Non-hydrogen_Atom_Count	8
3034645	Isotope_Atom_Count	0
3017434	Undefined_Bond_Stereo_Count	0
83363	XLogP3	6.2
17318	TPSA	54
12364760	Covalent_Unit_Count	1
21207	Molecular_Weight	299.28
24832091	Non-hydrogen_Atom_Count	31
213021	Defined_Bond_Stereo_Count	0
21340555	XLogP3-AA	3.2
10058	TPSA	121
53643899	Mono_Isotopic_Weight	158.05790880
93057	Rotatable_Bond_Count	1
20448997	Total_Formal_Charge	0
599202	Exact_Mass	173.084063974
9928397	Hydrogen_Bond_Acceptor_Count	4
6273649	Hydrogen_Bond_Acceptor_Count	4
32243	Isotope_Atom_Count	0
9917013	Hydrogen_Bond_Donor_Count	2
57358267	Mono_Isotopic_Weight	279.0428987
445929	Undefined_Atom_Stereo_Count	0
398701	Defined_Bond_Stereo_Count	0
123623	Undefined_Bond_Stereo_Count	0
221050	Mono_Isotopic_Weight	102.068079557
14194342	XLogP3-AA	0.5
101707	Exact_Mass	235.136099547
80786	Structure_Complexity	273
7078557	Defined_Bond_Stereo_Count	0
24472	XLogP3-AA	0.6
13532837	Isotope_Atom_Count	0
21955784	Exact_Mass	158.048012819
68081	Defined_Bond_Stereo_Count	0
61865004	Mono_Isotopic_Weight	113.084063974
57780614	Defined_Atom_Stereo_Count	0
12220383	Isotope_Atom_Count	0
44596	Hydrogen_Bond_Acceptor_Count	1
79535	Isotope_Atom_Count	0
436542	Mono_Isotopic_Weight	207.104799419
126981343	Defined_Bond_Stereo_Count	0
154147714	Structure_Complexity	145
45055378	Non-hydrogen_Atom_Count	26
320272	XLogP3-AA	1.6
102470202	Hydrogen_Bond_Donor_Count	9
29029	Defined_Atom_Stereo_Count	7
38464	Mono_Isotopic_Weight	265.1000197
2764838	Structure_Complexity	113
18822	Undefined_Atom_Stereo_Count	0
7120	Rotatable_Bond_Count	3
51038316	Rotatable_Bond_Count	8
221961	Total_Formal_Charge	0
77572	Covalent_Unit_Count	1
155434	Molecular_Weight	400.5
5280581	Hydrogen_Bond_Acceptor_Count	2
160743751	Undefined_Atom_Stereo_Count	0
93143	Structure_Complexity	210
66261	Structure_Complexity	257
10102486	Molecular_Weight	993.6
602261	Rotatable_Bond_Count	5
11159621	Defined_Bond_Stereo_Count	0
12936855	Isotope_Atom_Count	0
9867812	Structure_Complexity	601
527568	Molecular_Weight	94.15
19422150	Undefined_Atom_Stereo_Count	1
24860548	Total_Formal_Charge	0
16129911	Defined_Bond_Stereo_Count	1
441412	Exact_Mass	403.1914215
5460544	Undefined_Atom_Stereo_Count	0
72941505	Hydrogen_Bond_Donor_Count	11
65910	Tautomer_Count	1
18599	Isotope_Atom_Count	0
12599323	Molecular_Weight	104.15
20056587	Undefined_Bond_Stereo_Count	0
166796	Mono_Isotopic_Weight	414.03275590
6437377	Defined_Atom_Stereo_Count	3
3657	Isotope_Atom_Count	0
11060054	Rotatable_Bond_Count	20
71623221	Undefined_Bond_Stereo_Count	0
163900	Mono_Isotopic_Weight	132.078644241
3073200	Defined_Bond_Stereo_Count	0
10286159	Hydrogen_Bond_Donor_Count	2
14913584	TPSA	47.6
3347	Hydrogen_Bond_Acceptor_Count	4
44629600	XLogP3-AA	4.5
60985	Defined_Atom_Stereo_Count	0
535805	Defined_Atom_Stereo_Count	0
20475566	Exact_Mass	112.088815002
8859	Total_Formal_Charge	0
145627882	Defined_Bond_Stereo_Count	0
9843089	TPSA	86.4
14949211	Rotatable_Bond_Count	0
12871376	Mono_Isotopic_Weight	111.068413911
57401196	Structure_Complexity	637
3002820	Hydrogen_Bond_Donor_Count	0
22315763	Covalent_Unit_Count	1
7341	Exact_Mass	116.083729621
24191	Undefined_Bond_Stereo_Count	1
124	Tautomer_Count	2
448071	Undefined_Atom_Stereo_Count	0
44809	Total_Formal_Charge	0
15920952	Non-hydrogen_Atom_Count	10
145874935	Total_Formal_Charge	0
67054	Undefined_Atom_Stereo_Count	0
22225706	Mono_Isotopic_Weight	101.084063974
476	Defined_Atom_Stereo_Count	0
24956	Total_Formal_Charge	0
135410917	Molecular_Weight	274.75
24287	Exact_Mass	261.774663
43818	Structure_Complexity	372
70233	Isotope_Atom_Count	0
465818	Isotope_Atom_Count	0
7845	Undefined_Atom_Stereo_Count	0
24968	Hydrogen_Bond_Donor_Count	0
6805	Mono_Isotopic_Weight	237.935512
79297905	Defined_Bond_Stereo_Count	0
28280	Hydrogen_Bond_Donor_Count	6
80168	Tautomer_Count	1
2734117	Non-hydrogen_Atom_Count	34
2017	Total_Formal_Charge	0
518964	Rotatable_Bond_Count	0
77287	Tautomer_Count	1
136091	Rotatable_Bond_Count	0
45544	Molecular_Weight	221.29
69333782	Undefined_Bond_Stereo_Count	0
208921	Total_Formal_Charge	0
22022770	Structure_Complexity	68.2
1061	Tautomer_Count	1
20234583	TPSA	20.2
16135415	Mono_Isotopic_Weight	2637.0983357
65977	Exact_Mass	216.11100700
41019	Non-hydrogen_Atom_Count	11
131801066	Exact_Mass	774.17565762
10271	Total_Formal_Charge	0
11193251	Defined_Atom_Stereo_Count	0
12896	XLogP3	3.2
1010	Total_Formal_Charge	0
103875	Defined_Atom_Stereo_Count	0
14510945	Defined_Atom_Stereo_Count	0
5187	Undefined_Atom_Stereo_Count	4
12164	Defined_Bond_Stereo_Count	0
4369233	Covalent_Unit_Count	1
121763	XLogP3-AA	1
69049742	TPSA	145
10686	Hydrogen_Bond_Acceptor_Count	0
586	Hydrogen_Bond_Acceptor_Count	3
7075	Undefined_Atom_Stereo_Count	0
124220089	Undefined_Bond_Stereo_Count	0
538433	Tautomer_Count	1
21951770	Hydrogen_Bond_Acceptor_Count	5
14130	Hydrogen_Bond_Acceptor_Count	3
118797621	Mono_Isotopic_Weight	181.06674293
53741494	TPSA	9.2
60196440	Hydrogen_Bond_Donor_Count	2
161602	Rotatable_Bond_Count	10
16129681	Defined_Atom_Stereo_Count	0
4127	Non-hydrogen_Atom_Count	19
70381	TPSA	29.1
6713	Tautomer_Count	1
54317152	Mono_Isotopic_Weight	112.063662883
9794159	Defined_Bond_Stereo_Count	0
12155512	Rotatable_Bond_Count	2
2724039	Defined_Bond_Stereo_Count	0
93052	Hydrogen_Bond_Donor_Count	0
11815299	Exact_Mass	104.094963011
6419719	Defined_Bond_Stereo_Count	0
15969	Molecular_Weight	220.05
9131	Covalent_Unit_Count	1
11258643	Undefined_Bond_Stereo_Count	0
10336591	Covalent_Unit_Count	1
80873	Structure_Complexity	241
689013	Total_Formal_Charge	0
4527	Undefined_Atom_Stereo_Count	4
14930278	Exact_Mass	431.07575
3434	Defined_Bond_Stereo_Count	0
6379	Structure_Complexity	19.1
56620695	Hydrogen_Bond_Acceptor_Count	3
12964226	Defined_Bond_Stereo_Count	0
124762103	Exact_Mass	342.11621151
143647928	Undefined_Atom_Stereo_Count	0
99868	Covalent_Unit_Count	1
180288	Hydrogen_Bond_Donor_Count	4
637520	Defined_Bond_Stereo_Count	1
82766	Total_Formal_Charge	0
22274879	Exact_Mass	112.03851076
86614862	Defined_Bond_Stereo_Count	0
32526	Total_Formal_Charge	0
8259	Mono_Isotopic_Weight	147.924948
153274062	TPSA	257
104938	Defined_Atom_Stereo_Count	10
131059	Defined_Atom_Stereo_Count	0
89053239	Exact_Mass	107.037113783
40652	Covalent_Unit_Count	1
142966	Molecular_Weight	68.07
22406051	Defined_Atom_Stereo_Count	0
98626	Hydrogen_Bond_Donor_Count	1
70390	TPSA	41.1
529076	Undefined_Atom_Stereo_Count	0
139062655	Mono_Isotopic_Weight	534.2033832
6256685	Covalent_Unit_Count	1
8473	Defined_Atom_Stereo_Count	0
54584098	Exact_Mass	334.02046
11344211	XLogP3-AA	3.3
16767478	Mono_Isotopic_Weight	109.063997236
637593	Covalent_Unit_Count	1
68030	Hydrogen_Bond_Donor_Count	0
1582	Undefined_Bond_Stereo_Count	0
9964	Exact_Mass	161.04523368
75472	Covalent_Unit_Count	1
12991	Exact_Mass	70.041864811
164034646	TPSA	47.6
57503849	Undefined_Bond_Stereo_Count	0
10662	Undefined_Atom_Stereo_Count	0
86007746	Defined_Bond_Stereo_Count	0
445091	Hydrogen_Bond_Acceptor_Count	4
325385	Defined_Bond_Stereo_Count	0
19138	Undefined_Bond_Stereo_Count	0
61896	XLogP3-AA	3
2327	Non-hydrogen_Atom_Count	18
9879368	Tautomer_Count	1
5460044	Tautomer_Count	1
3000605	Undefined_Bond_Stereo_Count	0
91589206	Rotatable_Bond_Count	1
43833377	Non-hydrogen_Atom_Count	37
152932	Exact_Mass	288.14380491
13347991	Molecular_Weight	108.18
7595	Hydrogen_Bond_Acceptor_Count	1
151173	Exact_Mass	213.07495584
26041	Undefined_Bond_Stereo_Count	0
80102	Tautomer_Count	1
41017	Covalent_Unit_Count	1
23690943	Tautomer_Count	6
9957217	Structure_Complexity	629
593369	Covalent_Unit_Count	1
11374	Covalent_Unit_Count	1
100915014	Structure_Complexity	207
53861228	Structure_Complexity	61.2
17769889	Molecular_Weight	100.16
177955	Hydrogen_Bond_Acceptor_Count	4
520396	Undefined_Bond_Stereo_Count	1
49865859	Hydrogen_Bond_Donor_Count	2
557816	Undefined_Atom_Stereo_Count	1
93032	Molecular_Weight	175.18
956	Rotatable_Bond_Count	25
70579	Hydrogen_Bond_Acceptor_Count	0
70003	Exact_Mass	160.088815002
5460797	Structure_Complexity	87.8
87470	XLogP3	2.5
6469	Molecular_Weight	261.36
10034581	Hydrogen_Bond_Acceptor_Count	1
3086677	Covalent_Unit_Count	1
5388993	Defined_Bond_Stereo_Count	0
145644354	Covalent_Unit_Count	1
544588	Structure_Complexity	96.4
21117498	Defined_Atom_Stereo_Count	0
54051670	Defined_Atom_Stereo_Count	0
13426660	Hydrogen_Bond_Acceptor_Count	0
1103	Exact_Mass	202.21574685
2546	Undefined_Atom_Stereo_Count	2
14135407	XLogP3-AA	1.4
2777229	Molecular_Weight	115.13
2063	Defined_Bond_Stereo_Count	0
5359624	XLogP3	6.1
65410	Undefined_Bond_Stereo_Count	0
40496	Total_Formal_Charge	0
5323974	TPSA	50.7
2766	Hydrogen_Bond_Donor_Count	2
11292963	Defined_Atom_Stereo_Count	6
44462985	Hydrogen_Bond_Acceptor_Count	0
20535601	Undefined_Atom_Stereo_Count	0
54710618	Undefined_Bond_Stereo_Count	0
46898058	Undefined_Atom_Stereo_Count	0
123662875	TPSA	52
34154	Isotope_Atom_Count	0
6328526	Covalent_Unit_Count	2
3116	Undefined_Atom_Stereo_Count	0
21998683	Exact_Mass	97.089149355
4800713	Undefined_Atom_Stereo_Count	0
71249967	Non-hydrogen_Atom_Count	36
6604902	Molecular_Weight	465.9
44578615	TPSA	108
77753	Undefined_Atom_Stereo_Count	0
6321412	Undefined_Bond_Stereo_Count	0
8009	XLogP3	0.4
164	Undefined_Bond_Stereo_Count	1
11182588	Defined_Bond_Stereo_Count	0
220175	Non-hydrogen_Atom_Count	14
3559	Total_Formal_Charge	0
92089	Hydrogen_Bond_Acceptor_Count	5
399594	Rotatable_Bond_Count	1
57395973	Undefined_Bond_Stereo_Count	0
25023836	Isotope_Atom_Count	0
66573	XLogP3-AA	3.5
130250598	Non-hydrogen_Atom_Count	8
36982	Undefined_Atom_Stereo_Count	0
3383	Hydrogen_Bond_Donor_Count	2
6046	Non-hydrogen_Atom_Count	8
13459667	Exact_Mass	99.104799419
423072	Isotope_Atom_Count	0
135489810	Structure_Complexity	140
163284980	Hydrogen_Bond_Donor_Count	11
400010	Rotatable_Bond_Count	1
87386545	Covalent_Unit_Count	1
3406	Hydrogen_Bond_Acceptor_Count	1
76292	Non-hydrogen_Atom_Count	12
179383	TPSA	33.4
46552	Defined_Bond_Stereo_Count	0
25245437	Structure_Complexity	1280
10715582	Molecular_Weight	393.4
5951	Molecular_Weight	105.09
64402	Tautomer_Count	1
44577611	Undefined_Bond_Stereo_Count	0
39676	Structure_Complexity	391
718862	Defined_Atom_Stereo_Count	0
88211	Tautomer_Count	1
802074	XLogP3-AA	4.8
54690315	Hydrogen_Bond_Acceptor_Count	4
7518	TPSA	32.3
71302984	Non-hydrogen_Atom_Count	8
7401	TPSA	51.8
59966641	Total_Formal_Charge	0
22553	Exact_Mass	201.0920418
5391	Defined_Atom_Stereo_Count	0
15881135	Defined_Bond_Stereo_Count	0
94180	Defined_Atom_Stereo_Count	0
137849	TPSA	17.1
6190	Defined_Atom_Stereo_Count	5
5281764	Defined_Atom_Stereo_Count	2
16627	Undefined_Atom_Stereo_Count	0
144946255	Exact_Mass	112.088815002
10898	Hydrogen_Bond_Acceptor_Count	1
3213	Isotope_Atom_Count	0
643209	Covalent_Unit_Count	1
68741375	Undefined_Bond_Stereo_Count	0
135876149	Defined_Atom_Stereo_Count	9
10767	TPSA	29.5
75846	TPSA	76.4
5282215	Total_Formal_Charge	0
16757521	Defined_Atom_Stereo_Count	5
91945062	Undefined_Atom_Stereo_Count	3
13244862	Hydrogen_Bond_Acceptor_Count	0
816	Rotatable_Bond_Count	6
165598	Exact_Mass	177.04596439
57827330	Exact_Mass	437.11333049
135421876	Non-hydrogen_Atom_Count	10
10197702	Non-hydrogen_Atom_Count	10
23083539	Molecular_Weight	118.17
847313	Exact_Mass	296.09431156
74068	XLogP3-AA	2.6
14862	Tautomer_Count	2
5314123	Mono_Isotopic_Weight	96.057514874
54688689	Undefined_Atom_Stereo_Count	1
121749	Tautomer_Count	5
5702690	Covalent_Unit_Count	3
56463	Total_Formal_Charge	0
9954082	Defined_Bond_Stereo_Count	0
70684298	Undefined_Bond_Stereo_Count	0
487	Undefined_Atom_Stereo_Count	0
448972	Undefined_Atom_Stereo_Count	0
12835187	Undefined_Bond_Stereo_Count	0
54108432	Exact_Mass	122.03433465
5744	Undefined_Atom_Stereo_Count	0
79081	Molecular_Weight	99.17
3038482	Undefined_Bond_Stereo_Count	0
12074440	Hydrogen_Bond_Acceptor_Count	2
21016055	TPSA	20.3
6197820	Undefined_Atom_Stereo_Count	0
73162904	Undefined_Atom_Stereo_Count	0
10199016	Hydrogen_Bond_Donor_Count	3
76997	TPSA	18.5
136649	Mono_Isotopic_Weight	108.093900383
584645	Isotope_Atom_Count	0
34134	Defined_Bond_Stereo_Count	0
5366266	Covalent_Unit_Count	1
7098662	Undefined_Bond_Stereo_Count	0
12186	Undefined_Atom_Stereo_Count	1
15559311	Exact_Mass	842.51400504
54175	Mono_Isotopic_Weight	345.1706861
68979856	Defined_Bond_Stereo_Count	0
29011	Non-hydrogen_Atom_Count	3
7517	Covalent_Unit_Count	1
7844	Molecular_Weight	56.11
8108	Tautomer_Count	1
10844548	Non-hydrogen_Atom_Count	8
59111489	XLogP3-AA	2.5
15032	Rotatable_Bond_Count	1
35004	Hydrogen_Bond_Donor_Count	1
78383862	Isotope_Atom_Count	0
11206	Undefined_Atom_Stereo_Count	0
72207871	Molecular_Weight	101.15
10727124	XLogP3-AA	2.9
574037	Undefined_Atom_Stereo_Count	0
25244017	Molecular_Weight	336.34
36401	Isotope_Atom_Count	0
160508452	Exact_Mass	527.23263824
13439	Hydrogen_Bond_Donor_Count	0
93050	Rotatable_Bond_Count	3
13159184	Exact_Mass	164.06847348
8169	Undefined_Bond_Stereo_Count	0
544627	Undefined_Atom_Stereo_Count	0
93189	Undefined_Atom_Stereo_Count	0
102293	Isotope_Atom_Count	0
446495	Isotope_Atom_Count	0
11500877	XLogP3-AA	3
58206	Undefined_Atom_Stereo_Count	0
91506	Exact_Mass	911.15746899
258618	Defined_Bond_Stereo_Count	0
58024981	TPSA	50.9
39911	Mono_Isotopic_Weight	337.18892296
10343454	Hydrogen_Bond_Donor_Count	1
5354486	Total_Formal_Charge	0
447482	Total_Formal_Charge	0
13925600	Non-hydrogen_Atom_Count	8
11504295	Tautomer_Count	15
54675864	Defined_Bond_Stereo_Count	0
12774278	Undefined_Atom_Stereo_Count	0
15981292	Hydrogen_Bond_Donor_Count	2
89759530	Defined_Bond_Stereo_Count	0
816864	Rotatable_Bond_Count	7
5282421	Isotope_Atom_Count	0
135516356	Isotope_Atom_Count	0
66747531	Isotope_Atom_Count	0
16837	Isotope_Atom_Count	0
13205839	Isotope_Atom_Count	0
67248938	Defined_Bond_Stereo_Count	0
73227	Hydrogen_Bond_Acceptor_Count	2
6589	Rotatable_Bond_Count	1
978766	Defined_Bond_Stereo_Count	0
139592645	Exact_Mass	298.04773803
54245381	Mono_Isotopic_Weight	118.099379685
124081896	Non-hydrogen_Atom_Count	40
92821	Hydrogen_Bond_Acceptor_Count	3
41462	Total_Formal_Charge	0
3593	Hydrogen_Bond_Donor_Count	3
22182	Covalent_Unit_Count	3
60044692	Covalent_Unit_Count	1
162918373	TPSA	279
21447199	Non-hydrogen_Atom_Count	7
7943	Defined_Bond_Stereo_Count	0
68663	Defined_Atom_Stereo_Count	0
44310513	Total_Formal_Charge	0
739	TPSA	116
412781	Covalent_Unit_Count	1
136729	Covalent_Unit_Count	1
2803	Tautomer_Count	2
83797	Exact_Mass	84.057514874
18923030	Total_Formal_Charge	0
72199784	XLogP3-AA	5.6
135445165	Mono_Isotopic_Weight	411.14705815
80396	Mono_Isotopic_Weight	244.10679099
99474	Defined_Bond_Stereo_Count	0
151255	Molecular_Weight	141.12
7520	Exact_Mass	124.03467143
123133871	XLogP3	0.9
53708958	Exact_Mass	114.068079557
51039094	Defined_Bond_Stereo_Count	0
80466	Defined_Atom_Stereo_Count	0
65853	XLogP3-AA	1.1
123868	Undefined_Bond_Stereo_Count	0
255680	Exact_Mass	191.058243149
135596593	Hydrogen_Bond_Acceptor_Count	14
439250	Exact_Mass	136.125200510
20499147	Defined_Bond_Stereo_Count	0
60154331	Molecular_Weight	360.21
31593	Defined_Bond_Stereo_Count	0
39214	Non-hydrogen_Atom_Count	18
89118	Isotope_Atom_Count	0
10986200	Isotope_Atom_Count	0
66082	Structure_Complexity	62.7
10812218	Undefined_Bond_Stereo_Count	0
22986754	Hydrogen_Bond_Donor_Count	1
54686183	Exact_Mass	1024.3123164
76305	Structure_Complexity	171
12989	XLogP3-AA	0.6
11471380	Defined_Bond_Stereo_Count	0
54685734	Isotope_Atom_Count	0
9578243	Mono_Isotopic_Weight	292.14230712
54272	Mono_Isotopic_Weight	304.109944368
637552	TPSA	45.6
87474167	Defined_Bond_Stereo_Count	0
22172474	Defined_Bond_Stereo_Count	0
6344	Structure_Complexity	2.8
178103	Non-hydrogen_Atom_Count	37
135724	Defined_Bond_Stereo_Count	0
140203	Isotope_Atom_Count	0
117881739	Total_Formal_Charge	0
68074148	Structure_Complexity	94.7
5284595	Exact_Mass	311.15214353
63134	Isotope_Atom_Count	0
140233814	Rotatable_Bond_Count	1
134283942	TPSA	20.3
68195	Mono_Isotopic_Weight	355.06604838
746471	Isotope_Atom_Count	0
86307	TPSA	49.4
89119	Rotatable_Bond_Count	3
91855653	Hydrogen_Bond_Donor_Count	8
64915	Isotope_Atom_Count	0
6447131	Molecular_Weight	810.4
11344002	TPSA	40.3
550815	Hydrogen_Bond_Donor_Count	2
67895	Undefined_Atom_Stereo_Count	0
443310	Hydrogen_Bond_Donor_Count	4
17358	TPSA	1
129856110	Defined_Atom_Stereo_Count	0
9585	Structure_Complexity	143
58630	Undefined_Bond_Stereo_Count	0
793266	Total_Formal_Charge	0
60200126	Structure_Complexity	802
89402065	Exact_Mass	111.043261792
72200940	Structure_Complexity	745
35810	Molecular_Weight	204.29
134820051	Undefined_Bond_Stereo_Count	0
124655	Defined_Atom_Stereo_Count	0
11806375	Molecular_Weight	226.27
57191557	Hydrogen_Bond_Acceptor_Count	2
5365811	Isotope_Atom_Count	0
122824	Covalent_Unit_Count	2
97865	Defined_Atom_Stereo_Count	0
13707481	Molecular_Weight	114.19
14601092	Undefined_Bond_Stereo_Count	0
19395	Hydrogen_Bond_Donor_Count	0
600	Isotope_Atom_Count	0
9835303	Total_Formal_Charge	0
2086	Hydrogen_Bond_Acceptor_Count	4
8994	Undefined_Bond_Stereo_Count	0
10772	Mono_Isotopic_Weight	165.042593085
3325	Hydrogen_Bond_Acceptor_Count	8
17683	Isotope_Atom_Count	0
5311466	TPSA	65.5
11229	Total_Formal_Charge	0
146395	Covalent_Unit_Count	3
11724027	Hydrogen_Bond_Acceptor_Count	4
10628031	Molecular_Weight	650.7
89629295	Total_Formal_Charge	0
138733	Rotatable_Bond_Count	0
9548714	Total_Formal_Charge	0
74470	TPSA	55.8
33400	Exact_Mass	343.036958
77813014	Defined_Atom_Stereo_Count	0
5342002	Molecular_Weight	285.8
44303980	Exact_Mass	408.28757437
32326	Total_Formal_Charge	0
54285963	XLogP3-AA	3.6
123145	Non-hydrogen_Atom_Count	3
23663979	Defined_Atom_Stereo_Count	4
135564527	Undefined_Atom_Stereo_Count	0
35763	Isotope_Atom_Count	0
250451	Total_Formal_Charge	0
74944	Total_Formal_Charge	0
53807546	TPSA	26
5311027	Structure_Complexity	541
55285	Defined_Bond_Stereo_Count	0
12580406	Undefined_Atom_Stereo_Count	0
19830271	Defined_Atom_Stereo_Count	0
54580051	Molecular_Weight	439.6
76398	Structure_Complexity	82.2
82736	Total_Formal_Charge	0
12087	Total_Formal_Charge	0
907991	Covalent_Unit_Count	1
74002265	Hydrogen_Bond_Donor_Count	0
194519	Exact_Mass	304.02175079
14453685	Undefined_Atom_Stereo_Count	2
50514	Rotatable_Bond_Count	9
87298	TPSA	15.3
10453870	Undefined_Bond_Stereo_Count	0
144416139	Isotope_Atom_Count	0
9548634	Molecular_Weight	437.5
138961	Hydrogen_Bond_Donor_Count	0
122356	Total_Formal_Charge	0
46848036	TPSA	99.2
53316407	Covalent_Unit_Count	2
136730	Hydrogen_Bond_Acceptor_Count	3
5288217	Covalent_Unit_Count	1
86231890	Molecular_Weight	110.15
122623	Total_Formal_Charge	0
34461	Structure_Complexity	295
68717	Hydrogen_Bond_Acceptor_Count	4
105035	Tautomer_Count	5
25073049	Rotatable_Bond_Count	6
123	Hydrogen_Bond_Acceptor_Count	2
14359581	Molecular_Weight	109.13
124992	Tautomer_Count	2
516356	Covalent_Unit_Count	1
6723	Isotope_Atom_Count	0
65287	Undefined_Bond_Stereo_Count	1
54385745	Covalent_Unit_Count	1
22022770	Undefined_Bond_Stereo_Count	0
136874	TPSA	29.1
33094	Covalent_Unit_Count	1
347381	TPSA	83.1
70693582	Isotope_Atom_Count	0
12760725	Total_Formal_Charge	0
78874	Isotope_Atom_Count	0
12695798	Non-hydrogen_Atom_Count	8
54601825	Structure_Complexity	1410
43157	Tautomer_Count	9
54949	Rotatable_Bond_Count	11
49852363	Isotope_Atom_Count	0
9883104	Defined_Bond_Stereo_Count	0
72145	TPSA	111
9841240	Undefined_Bond_Stereo_Count	0
178925	Molecular_Weight	193.24
9740	Exact_Mass	85.016378338
87495646	Total_Formal_Charge	0
30291	TPSA	55.6
4262071	Defined_Bond_Stereo_Count	0
2129427	Undefined_Bond_Stereo_Count	0
7597	Exact_Mass	214.062994177
19235	Covalent_Unit_Count	1
688015	Total_Formal_Charge	0
12219387	Rotatable_Bond_Count	1
22313123	Total_Formal_Charge	0
3924	Non-hydrogen_Atom_Count	17
88922160	Defined_Atom_Stereo_Count	12
95640	Tautomer_Count	1
20448997	Non-hydrogen_Atom_Count	7
2299	Exact_Mass	477.17559883
56972049	Hydrogen_Bond_Donor_Count	3
57978852	Mono_Isotopic_Weight	115.063328530
413518	Exact_Mass	212.0716407
160866	Hydrogen_Bond_Donor_Count	0
21314538	Defined_Atom_Stereo_Count	0
122517441	Molecular_Weight	270.32
68012	Non-hydrogen_Atom_Count	14
69004	Covalent_Unit_Count	1
122672156	Defined_Atom_Stereo_Count	0
37858	Isotope_Atom_Count	0
14012376	Covalent_Unit_Count	1
18461924	Hydrogen_Bond_Donor_Count	0
71308614	Rotatable_Bond_Count	18
1424	Hydrogen_Bond_Donor_Count	2
5289373	Mono_Isotopic_Weight	430.23553880
227541	TPSA	51.8
57054	TPSA	251
90470	Exact_Mass	112.052429494
49864603	Rotatable_Bond_Count	6
46225190	Isotope_Atom_Count	0
9886249	Total_Formal_Charge	0
1438150	Covalent_Unit_Count	1
31651	Defined_Bond_Stereo_Count	0
501	Total_Formal_Charge	0
293676	TPSA	21.6
403805	Non-hydrogen_Atom_Count	43
923480	Non-hydrogen_Atom_Count	20
425051	Rotatable_Bond_Count	0
131954763	Structure_Complexity	494
17392	Rotatable_Bond_Count	7
12860067	Total_Formal_Charge	0
3945	Defined_Atom_Stereo_Count	0
2724039	Isotope_Atom_Count	0
7697	Tautomer_Count	1
7899	Total_Formal_Charge	0
24086	Hydrogen_Bond_Acceptor_Count	5
5328017	Exact_Mass	222.090546336
559009	Molecular_Weight	100.16
10080320	Hydrogen_Bond_Donor_Count	1
141427445	Structure_Complexity	147
3034319	Defined_Bond_Stereo_Count	0
5288679	TPSA	58.6
695314	Defined_Atom_Stereo_Count	1
6102731	Rotatable_Bond_Count	10
6580	Hydrogen_Bond_Acceptor_Count	1
64200	Hydrogen_Bond_Acceptor_Count	2
869	Non-hydrogen_Atom_Count	54
66028	Defined_Bond_Stereo_Count	0
126997316	Hydrogen_Bond_Acceptor_Count	2
16211333	TPSA	38
5895404	Undefined_Atom_Stereo_Count	0
74563	Covalent_Unit_Count	1
664338	Non-hydrogen_Atom_Count	28
69779590	Non-hydrogen_Atom_Count	7
317940	Undefined_Bond_Stereo_Count	0
160332	XLogP3-AA	5.6
5323927	TPSA	25.7
6314185	Rotatable_Bond_Count	7
45256294	Molecular_Weight	402.4
7225	TPSA	26
6918076	Defined_Bond_Stereo_Count	0
37249	Structure_Complexity	258
448577	TPSA	87.5
80599	TPSA	1
131634493	Hydrogen_Bond_Acceptor_Count	35
7093	Defined_Atom_Stereo_Count	0
439213	TPSA	116
23409	TPSA	67.8
5372405	Defined_Bond_Stereo_Count	1
27435	Defined_Atom_Stereo_Count	0
83287	Structure_Complexity	165
16749605	Total_Formal_Charge	0
35330	Hydrogen_Bond_Acceptor_Count	6
11658860	Covalent_Unit_Count	1
92277	Defined_Bond_Stereo_Count	0
893947	Isotope_Atom_Count	0
77918	Defined_Bond_Stereo_Count	0
445501	Hydrogen_Bond_Donor_Count	0
266742	Structure_Complexity	104
718	Undefined_Atom_Stereo_Count	4
2576	Structure_Complexity	281
46203882	Exact_Mass	167.105862047
6450173	Covalent_Unit_Count	5
18199	Hydrogen_Bond_Acceptor_Count	2
4929	Mono_Isotopic_Weight	241.13611680
72200931	Isotope_Atom_Count	0
91756	Undefined_Atom_Stereo_Count	0
16033	Hydrogen_Bond_Acceptor_Count	2
86122	Tautomer_Count	2
2766305	Total_Formal_Charge	0
707	TPSA	20.2
278150	Structure_Complexity	98.7
59110799	Non-hydrogen_Atom_Count	24
55286155	Undefined_Atom_Stereo_Count	0
8658	XLogP3	1.7
44160137	Total_Formal_Charge	0
22603628	Covalent_Unit_Count	1
684	Molecular_Weight	564.3
21650900	Undefined_Atom_Stereo_Count	0
75645	Undefined_Atom_Stereo_Count	0
90658124	Mono_Isotopic_Weight	1297.75736887
55300430	Covalent_Unit_Count	1
40302	Structure_Complexity	146
57438703	Hydrogen_Bond_Acceptor_Count	6
16684171	Total_Formal_Charge	0
46485	Molecular_Weight	377.4
3026856	Undefined_Atom_Stereo_Count	0
35367	Mono_Isotopic_Weight	112.125200510
6450800	Hydrogen_Bond_Donor_Count	1
103023	Structure_Complexity	128
12304612	Exact_Mass	152.120115130
141011968	Non-hydrogen_Atom_Count	8
57467550	Covalent_Unit_Count	1
148007841	Hydrogen_Bond_Acceptor_Count	1
10931394	Mono_Isotopic_Weight	112.063662883
342238	Defined_Atom_Stereo_Count	0
7212	Total_Formal_Charge	0
579338	Undefined_Bond_Stereo_Count	0
58196257	Isotope_Atom_Count	0
85753355	Hydrogen_Bond_Acceptor_Count	2
1570	Exact_Mass	127.00918496
71932	XLogP3-AA	4.9
5107	Defined_Atom_Stereo_Count	0
71578106	Hydrogen_Bond_Acceptor_Count	9
34632	Undefined_Atom_Stereo_Count	0
10903	Defined_Bond_Stereo_Count	0
23642	Exact_Mass	140.02958605
119418	Mono_Isotopic_Weight	292.13107373
59901542	Molecular_Weight	19.057
7892	XLogP3-AA	3.2
5147	Total_Formal_Charge	0
12409173	Covalent_Unit_Count	1
10402	Undefined_Bond_Stereo_Count	0
550642	Mono_Isotopic_Weight	112.088815002
9776841	Isotope_Atom_Count	0
3611392	Rotatable_Bond_Count	6
616651	Defined_Atom_Stereo_Count	0
17719	TPSA	58.9
5284558	Exact_Mass	588.18429107
4523766	Isotope_Atom_Count	0
6795	Undefined_Bond_Stereo_Count	0
82982	Hydrogen_Bond_Acceptor_Count	7
13262524	TPSA	25.8
11446375	Total_Formal_Charge	0
122222714	Rotatable_Bond_Count	7
57691826	TPSA	110
5143	Hydrogen_Bond_Donor_Count	1
139593379	Non-hydrogen_Atom_Count	46
88603	Rotatable_Bond_Count	7
57174031	Exact_Mass	284.152477885
636523	Structure_Complexity	358
5463134	Covalent_Unit_Count	1
12218383	Defined_Bond_Stereo_Count	0
10035228	Exact_Mass	181.06674293
18062	Defined_Atom_Stereo_Count	0
145520	Total_Formal_Charge	0
133082588	Covalent_Unit_Count	2
70695760	Covalent_Unit_Count	1
25190761	Structure_Complexity	417
91272	Undefined_Bond_Stereo_Count	0
139593411	Undefined_Bond_Stereo_Count	0
49846579	Defined_Atom_Stereo_Count	0
439782	Structure_Complexity	216
11707110	Exact_Mass	615.07788
5460853	Undefined_Atom_Stereo_Count	0
577126	TPSA	17.1
14437479	Non-hydrogen_Atom_Count	8
37274	Molecular_Weight	325.79
98047377	Exact_Mass	284.16237386
13976559	TPSA	38.7
71172	Defined_Bond_Stereo_Count	0
134393564	Rotatable_Bond_Count	2
49871818	Structure_Complexity	706
6850813	Total_Formal_Charge	0
542372	Total_Formal_Charge	0
6538897	Molecular_Weight	328.16
446504	Covalent_Unit_Count	1
134564038	Total_Formal_Charge	0
130991	Structure_Complexity	1150
9828911	XLogP3-AA	2.8
135431223	Covalent_Unit_Count	1
5395	Rotatable_Bond_Count	0
6558	Hydrogen_Bond_Acceptor_Count	1
13679	Undefined_Atom_Stereo_Count	0
228430	Undefined_Bond_Stereo_Count	0
155815	Covalent_Unit_Count	1
679777	Non-hydrogen_Atom_Count	22
3340	Exact_Mass	306.0896961
213049	Exact_Mass	465.13475634
57037620	XLogP3-AA	0.6
12544003	Non-hydrogen_Atom_Count	7
139510	Defined_Atom_Stereo_Count	0
40550	Undefined_Atom_Stereo_Count	0
91194554	Undefined_Bond_Stereo_Count	0
100930731	Non-hydrogen_Atom_Count	7
132192027	Undefined_Atom_Stereo_Count	0
13563	TPSA	3.2
16213640	Defined_Bond_Stereo_Count	0
90127780	TPSA	9.2
316542	Hydrogen_Bond_Donor_Count	2
12401	Tautomer_Count	1
13408391	XLogP3-AA	3.3
27135	Structure_Complexity	59.8
5462355	Hydrogen_Bond_Donor_Count	6
62669683	Undefined_Atom_Stereo_Count	0
70614444	TPSA	75.7
93252	Hydrogen_Bond_Acceptor_Count	2
81129	XLogP3	2.4
3482	Covalent_Unit_Count	1
20605384	Undefined_Bond_Stereo_Count	0
69429	XLogP3-AA	7.8
18377249	Rotatable_Bond_Count	2
292184	Molecular_Weight	164.01
23525700	Isotope_Atom_Count	0
40466924	Hydrogen_Bond_Donor_Count	1
1598	Defined_Atom_Stereo_Count	0
88300	Molecular_Weight	296.4
17835489	Rotatable_Bond_Count	1
81006	Covalent_Unit_Count	1
222572	Structure_Complexity	391
11195	Mono_Isotopic_Weight	153.924450
96776	Mono_Isotopic_Weight	232.157563266
10622871	XLogP3-AA	1.6
68112	Defined_Bond_Stereo_Count	0
19324	Rotatable_Bond_Count	3
54758308	Mono_Isotopic_Weight	471.26342531
57267	Molecular_Weight	340.8
69640	Hydrogen_Bond_Donor_Count	2
35912	Exact_Mass	248.152477885
12724643	Molecular_Weight	112.17
21492261	Covalent_Unit_Count	1
128423	Undefined_Atom_Stereo_Count	1
358996	TPSA	46.3
16129759	Covalent_Unit_Count	1
11607904	Undefined_Atom_Stereo_Count	0
54095609	Undefined_Bond_Stereo_Count	0
9578243	Molecular_Weight	292.33
5353897	Defined_Bond_Stereo_Count	1
42509	Mono_Isotopic_Weight	329.1658755
39688	Undefined_Atom_Stereo_Count	0
21630	Tautomer_Count	1
135398516	Structure_Complexity	630
76583	Tautomer_Count	1
104881	Structure_Complexity	500
10272953	Structure_Complexity	757
13795006	Undefined_Bond_Stereo_Count	0
35398	Hydrogen_Bond_Donor_Count	3
236666	XLogP3-AA	4
31310	Molecular_Weight	692.8
196396	Structure_Complexity	825
106228050	Non-hydrogen_Atom_Count	8
40579125	Hydrogen_Bond_Donor_Count	0
66254	Molecular_Weight	192.07
127909	Hydrogen_Bond_Acceptor_Count	4
54687420	Defined_Atom_Stereo_Count	0
146474223	Exact_Mass	116.047344113
816	Covalent_Unit_Count	1
119097769	Defined_Atom_Stereo_Count	0
3777	TPSA	83.8
54567078	Defined_Bond_Stereo_Count	0
7943	Isotope_Atom_Count	0
39075	Rotatable_Bond_Count	6
20521791	Rotatable_Bond_Count	1
88261	Defined_Bond_Stereo_Count	0
5353370	Structure_Complexity	236
5487427	Hydrogen_Bond_Donor_Count	1
54915	Hydrogen_Bond_Acceptor_Count	7
224241	TPSA	9.2
11970	Hydrogen_Bond_Acceptor_Count	3
14104	XLogP3	3.8
125556	Undefined_Atom_Stereo_Count	0
719704	Rotatable_Bond_Count	4
10877064	Covalent_Unit_Count	1
91411367	Hydrogen_Bond_Acceptor_Count	0
89708952	Rotatable_Bond_Count	0
4107	Non-hydrogen_Atom_Count	17
24963	Isotope_Atom_Count	0
628889	Isotope_Atom_Count	0
39131	Mono_Isotopic_Weight	218.141913202
6561	XLogP3-AA	0.8
265370	Exact_Mass	113.084063974
89785	Isotope_Atom_Count	0
54676840	Undefined_Bond_Stereo_Count	0
59347	Tautomer_Count	1
57392963	Hydrogen_Bond_Donor_Count	2
78553	Exact_Mass	215.96083
6300	Undefined_Atom_Stereo_Count	0
27402	Undefined_Bond_Stereo_Count	0
90470403	Exact_Mass	192.0454260
9274	Undefined_Atom_Stereo_Count	0
22168583	Defined_Bond_Stereo_Count	0
99609	Defined_Bond_Stereo_Count	0
53893761	Structure_Complexity	162
10866282	Molecular_Weight	110.15
18002315	Non-hydrogen_Atom_Count	8
11865405	Non-hydrogen_Atom_Count	22
25181472	Total_Formal_Charge	0
10986185	Exact_Mass	113.084063974
12855	Defined_Bond_Stereo_Count	0
11153672	Isotope_Atom_Count	0
126455659	Hydrogen_Bond_Donor_Count	1
43704	Defined_Atom_Stereo_Count	0
100933147	Defined_Atom_Stereo_Count	20
840260	Structure_Complexity	400
23447037	TPSA	145
71308755	Defined_Bond_Stereo_Count	5
92145	Covalent_Unit_Count	1
54487968	Mono_Isotopic_Weight	110.109550447
4528	XLogP3-AA	2.6
25374	Undefined_Atom_Stereo_Count	0
11849	Covalent_Unit_Count	1
21666609	TPSA	20.3
9948894	Mono_Isotopic_Weight	318.06742811
118023034	Tautomer_Count	1
133021	Exact_Mass	379.1339066
6973640	XLogP3	2.7
146158693	Undefined_Atom_Stereo_Count	4
192155	Total_Formal_Charge	0
65376195	Defined_Bond_Stereo_Count	0
131852189	Total_Formal_Charge	0
858712	Covalent_Unit_Count	1
13416	Non-hydrogen_Atom_Count	12
135398627	Isotope_Atom_Count	0
3854666	Rotatable_Bond_Count	2
9830	Molecular_Weight	223.58
126970904	Hydrogen_Bond_Donor_Count	1
11616111	Mono_Isotopic_Weight	278.0128057
93500	Hydrogen_Bond_Donor_Count	0
1993	Undefined_Bond_Stereo_Count	0
51299	Structure_Complexity	151
117846599	Hydrogen_Bond_Acceptor_Count	11
11957517	Isotope_Atom_Count	0
90628	Structure_Complexity	141
76848959	Defined_Atom_Stereo_Count	1
22829	XLogP3-AA	3.3
57270176	Covalent_Unit_Count	1
91558991	Isotope_Atom_Count	0
635	Covalent_Unit_Count	1
73376	Exact_Mass	207.03877100
166450050	Covalent_Unit_Count	1
11534927	Non-hydrogen_Atom_Count	16
9517	Molecular_Weight	208.25
6982	Defined_Bond_Stereo_Count	0
57609	Defined_Bond_Stereo_Count	0
2914	Total_Formal_Charge	0
163548545	Non-hydrogen_Atom_Count	8
106567	Total_Formal_Charge	0
68198	Structure_Complexity	429
148763531	Covalent_Unit_Count	1
108147	Molecular_Weight	842.0
10621272	Hydrogen_Bond_Donor_Count	4
102697	Non-hydrogen_Atom_Count	23
6375	Structure_Complexity	27.5
69301022	Isotope_Atom_Count	0
46407	Undefined_Bond_Stereo_Count	0
10760	Mono_Isotopic_Weight	226.12050905
83648	Hydrogen_Bond_Acceptor_Count	4
147895	Hydrogen_Bond_Donor_Count	4
441073	XLogP3	2.9
104287	Non-hydrogen_Atom_Count	30
736366	Molecular_Weight	202.28
6719	Undefined_Atom_Stereo_Count	0
173994	Hydrogen_Bond_Donor_Count	0
13544016	TPSA	23.6
3661	Exact_Mass	289.16779360
36606	Total_Formal_Charge	0
3068840	Structure_Complexity	443
2758223	Rotatable_Bond_Count	0
117683867	Defined_Bond_Stereo_Count	0
164610	Mono_Isotopic_Weight	262.074227566
15038	Isotope_Atom_Count	0
21517	Molecular_Weight	469.7
7267	Exact_Mass	122.073164938
48889	Undefined_Atom_Stereo_Count	0
11979606	Exact_Mass	1348.67523164
6477971	Hydrogen_Bond_Acceptor_Count	12
96821	Non-hydrogen_Atom_Count	12
11263686	Defined_Atom_Stereo_Count	0
446915	Structure_Complexity	1730
69014	Undefined_Atom_Stereo_Count	0
5459784	Defined_Atom_Stereo_Count	2
65109	Exact_Mass	691.51520532
135442196	Mono_Isotopic_Weight	803.09524014
2723722	Exact_Mass	358.25079494
148119	Undefined_Bond_Stereo_Count	0
53361524	Hydrogen_Bond_Donor_Count	2
97535	Hydrogen_Bond_Donor_Count	5
233613	Hydrogen_Bond_Donor_Count	1
70240	Isotope_Atom_Count	0
81397	Hydrogen_Bond_Donor_Count	1
3000926	Exact_Mass	335.0746777
494	Covalent_Unit_Count	1
69437	Isotope_Atom_Count	0
2531445	Undefined_Atom_Stereo_Count	0
20725980	Undefined_Bond_Stereo_Count	0
5702065	Defined_Atom_Stereo_Count	1
95883	Covalent_Unit_Count	1
15559658	TPSA	12
71323	Covalent_Unit_Count	1
14644797	Molecular_Weight	115.13
90334	Hydrogen_Bond_Donor_Count	1
99027	Isotope_Atom_Count	0
673664	XLogP3-AA	0.6
135410917	Undefined_Atom_Stereo_Count	0
3641960	Rotatable_Bond_Count	1
3141	TPSA	72.7
864969	Structure_Complexity	448
163317	Rotatable_Bond_Count	2
5917	Defined_Bond_Stereo_Count	0
21792546	Non-hydrogen_Atom_Count	18
59910362	Defined_Atom_Stereo_Count	0
6204	Mono_Isotopic_Weight	194.154489261
67548	TPSA	20.2
22660	Tautomer_Count	2
137700140	Hydrogen_Bond_Acceptor_Count	4
5280888	Defined_Atom_Stereo_Count	5
43234	Hydrogen_Bond_Donor_Count	0
55286629	Mono_Isotopic_Weight	96.068748264
1277665	Undefined_Bond_Stereo_Count	0
13693091	Structure_Complexity	107
5284556	Isotope_Atom_Count	0
3084049	Exact_Mass	799.22325494
603711	Exact_Mass	214.07759887
11029761	TPSA	40.5
72034	Covalent_Unit_Count	2
431	Defined_Bond_Stereo_Count	0
145706202	Molecular_Weight	485.0
54684461	Hydrogen_Bond_Acceptor_Count	10
550642	Hydrogen_Bond_Acceptor_Count	1
144525	Exact_Mass	110.073164938
92112	Undefined_Atom_Stereo_Count	0
67434749	Undefined_Bond_Stereo_Count	0
17994055	TPSA	74.9
13007516	Covalent_Unit_Count	1
68119	Hydrogen_Bond_Donor_Count	0
90757303	Hydrogen_Bond_Donor_Count	1
176155	Molecular_Weight	377.4
54691418	Non-hydrogen_Atom_Count	15
274418	Undefined_Atom_Stereo_Count	2
5486182	Hydrogen_Bond_Acceptor_Count	12
10196758	Hydrogen_Bond_Acceptor_Count	11
160269	Undefined_Atom_Stereo_Count	0
16574	Structure_Complexity	662
53317120	Defined_Bond_Stereo_Count	0
5895404	Tautomer_Count	52
90127741	Undefined_Bond_Stereo_Count	0
10286159	Defined_Atom_Stereo_Count	3
254592	Total_Formal_Charge	0
21326601	Undefined_Bond_Stereo_Count	0
11962616	Exact_Mass	460.21736377
23866	Hydrogen_Bond_Acceptor_Count	0
14355861	Undefined_Atom_Stereo_Count	0
393602	Rotatable_Bond_Count	5
1381	TPSA	74.2
129816	Undefined_Bond_Stereo_Count	0
21719953	Undefined_Bond_Stereo_Count	0
7779	Molecular_Weight	182.26
3035405	Molecular_Weight	1213.4
11115032	Total_Formal_Charge	0
8354	TPSA	57.6
16118392	Molecular_Weight	633.7
49869877	Structure_Complexity	683
4825	Undefined_Atom_Stereo_Count	0
535813	Rotatable_Bond_Count	2
317883	Total_Formal_Charge	0
71541189	Undefined_Bond_Stereo_Count	0
57394711	XLogP3-AA	3.2
70695634	Structure_Complexity	574
55889	Undefined_Atom_Stereo_Count	0
6858209	Undefined_Atom_Stereo_Count	0
44620953	Undefined_Atom_Stereo_Count	0
129738033	Mono_Isotopic_Weight	256.06703418
23497	Mono_Isotopic_Weight	211.08445790
78324	Rotatable_Bond_Count	4
10449	Mono_Isotopic_Weight	89.027691913
57131009	Hydrogen_Bond_Donor_Count	0
642623	Undefined_Bond_Stereo_Count	0
9893228	Defined_Atom_Stereo_Count	0
667495	XLogP3-AA	2.4
136419	Structure_Complexity	409
5839	TPSA	91.7
16760374	Exact_Mass	636.12921216
6399259	Exact_Mass	413.04637556
9964065	Isotope_Atom_Count	0
2119	Rotatable_Bond_Count	8
40523471	Mono_Isotopic_Weight	347.09397721
16218641	Undefined_Atom_Stereo_Count	0
60196333	Undefined_Bond_Stereo_Count	0
3034	Hydrogen_Bond_Donor_Count	4
79161	Hydrogen_Bond_Acceptor_Count	3
3437	Undefined_Bond_Stereo_Count	0
3489	Total_Formal_Charge	0
101855556	Mono_Isotopic_Weight	368.08960285
8573	Non-hydrogen_Atom_Count	18
40467053	Rotatable_Bond_Count	2
182176	XLogP3	0.3
1434	Covalent_Unit_Count	1
53735	XLogP3-AA	1.8
4596	Defined_Bond_Stereo_Count	0
3609	Tautomer_Count	27
67522784	Total_Formal_Charge	0
16051931	Molecular_Weight	452.6
23688907	Defined_Bond_Stereo_Count	0
57625	Undefined_Bond_Stereo_Count	0
352335	Non-hydrogen_Atom_Count	17
17131	Rotatable_Bond_Count	0
22481042	Isotope_Atom_Count	0
12431566	Defined_Bond_Stereo_Count	0
6538	Non-hydrogen_Atom_Count	20
6537505	Mono_Isotopic_Weight	250.15689456
9849925	Undefined_Bond_Stereo_Count	0
76956848	Total_Formal_Charge	0
44311686	TPSA	117
54192929	Total_Formal_Charge	0
46231497	Hydrogen_Bond_Acceptor_Count	5
24228	Covalent_Unit_Count	1
146156970	Rotatable_Bond_Count	26
148931549	Defined_Bond_Stereo_Count	1
643985	Covalent_Unit_Count	1
12731	Structure_Complexity	19.9
162639137	Total_Formal_Charge	0
21448982	Defined_Atom_Stereo_Count	0
1481	Undefined_Atom_Stereo_Count	1
23	Hydrogen_Bond_Donor_Count	3
3605	Defined_Atom_Stereo_Count	0
1778	Rotatable_Bond_Count	14
12830793	Exact_Mass	114.104465066
10722	Undefined_Atom_Stereo_Count	0
25008767	Undefined_Atom_Stereo_Count	0
12962854	Total_Formal_Charge	0
42553	Defined_Bond_Stereo_Count	0
5222465	Total_Formal_Charge	0
9989224	Tautomer_Count	4
143009217	Structure_Complexity	138
44144477	Undefined_Atom_Stereo_Count	0
15939271	Total_Formal_Charge	0
18551400	Total_Formal_Charge	0
69332716	Hydrogen_Bond_Acceptor_Count	3
33	Isotope_Atom_Count	0
68783	Total_Formal_Charge	0
41438	Non-hydrogen_Atom_Count	23
85673900	TPSA	38
123292394	Hydrogen_Bond_Donor_Count	1
5324584	Structure_Complexity	53.2
6708701	Defined_Atom_Stereo_Count	2
11636	Total_Formal_Charge	0
5289590	Tautomer_Count	5
95069	Mono_Isotopic_Weight	224.058577502
6440511	Molecular_Weight	449.6
134601	Undefined_Bond_Stereo_Count	0
573419	TPSA	34.9
90978	Hydrogen_Bond_Donor_Count	0
45656	Isotope_Atom_Count	0
17845830	Mono_Isotopic_Weight	113.058911855
527764	Covalent_Unit_Count	1
36890	Tautomer_Count	2
11108673	Rotatable_Bond_Count	0
5287468	Non-hydrogen_Atom_Count	37
72589	Isotope_Atom_Count	0
158980	Structure_Complexity	148
93804	Molecular_Weight	608.3
130993429	Covalent_Unit_Count	1
5589	Undefined_Atom_Stereo_Count	9
2728077	Undefined_Atom_Stereo_Count	0
413540	Exact_Mass	264.162648646
3664740	Molecular_Weight	327.3
135398508	Isotope_Atom_Count	0
17477	Defined_Bond_Stereo_Count	0
129539	Hydrogen_Bond_Donor_Count	0
85787089	Non-hydrogen_Atom_Count	8
11499271	Exact_Mass	162.0559907
91994885	Total_Formal_Charge	0
15034112	Isotope_Atom_Count	0
33503	XLogP3-AA	5.3
12116	Hydrogen_Bond_Acceptor_Count	2
2010	Hydrogen_Bond_Acceptor_Count	18
3497	Isotope_Atom_Count	0
40520	TPSA	46.6
60287	Exact_Mass	263.188529040
138611145	Covalent_Unit_Count	1
66908	Defined_Bond_Stereo_Count	0
129653817	Structure_Complexity	98.2
11886769	Hydrogen_Bond_Donor_Count	8
5288706	Isotope_Atom_Count	0
118856278	Structure_Complexity	749
77016	Covalent_Unit_Count	1
11672461	Covalent_Unit_Count	5
20591068	XLogP3-AA	1.8
16212317	Tautomer_Count	1
84552	Non-hydrogen_Atom_Count	6
44599207	Isotope_Atom_Count	0
156519226	Molecular_Weight	110.15
3015009	Hydrogen_Bond_Acceptor_Count	0
13112141	Rotatable_Bond_Count	0
2209	Defined_Bond_Stereo_Count	0
5284530	Rotatable_Bond_Count	7
137105	Rotatable_Bond_Count	0
90944184	Exact_Mass	94.016712692
69408	TPSA	35.5
44562738	Undefined_Atom_Stereo_Count	0
21484	Isotope_Atom_Count	0
42079	TPSA	32.3
16130199	Mono_Isotopic_Weight	4489.1866445
20547	Hydrogen_Bond_Donor_Count	0
7773	Exact_Mass	398.33960994
160743752	Defined_Atom_Stereo_Count	0
17461	Undefined_Atom_Stereo_Count	0
834519	Rotatable_Bond_Count	6
3984	Structure_Complexity	458
5375618	Total_Formal_Charge	0
91696	Total_Formal_Charge	0
19137	Structure_Complexity	227
133688117	Defined_Atom_Stereo_Count	4
151473	Covalent_Unit_Count	1
694728	Defined_Bond_Stereo_Count	1
67781	Rotatable_Bond_Count	0
13538	Covalent_Unit_Count	1
5281035	Mono_Isotopic_Weight	382.228322906
6435463	Hydrogen_Bond_Acceptor_Count	2
57330419	Defined_Bond_Stereo_Count	0
136888	Covalent_Unit_Count	1
197998	Total_Formal_Charge	0
109291	Tautomer_Count	1
67967	Total_Formal_Charge	0
443406	TPSA	43.7
5315455	Hydrogen_Bond_Acceptor_Count	7
148573599	Hydrogen_Bond_Acceptor_Count	0
9577272	Molecular_Weight	221.30
77903	Hydrogen_Bond_Donor_Count	0
57394836	Molecular_Weight	487.4
88889699	Rotatable_Bond_Count	0
12664537	Total_Formal_Charge	0
69440016	Non-hydrogen_Atom_Count	44
62705860	Exact_Mass	425.12119258
57442010	Hydrogen_Bond_Donor_Count	1
6175	Hydrogen_Bond_Donor_Count	4
25200541	Defined_Bond_Stereo_Count	0
182585	Non-hydrogen_Atom_Count	28
10942338	XLogP3-AA	0.3
5358902	Hydrogen_Bond_Acceptor_Count	4
133025	Undefined_Bond_Stereo_Count	0
11170934	Hydrogen_Bond_Donor_Count	0
74839	Molecular_Weight	207.23
134823960	Molecular_Weight	266.34
5460348	Undefined_Bond_Stereo_Count	0
16957	Undefined_Bond_Stereo_Count	0
9869929	Defined_Atom_Stereo_Count	1
443366	XLogP3-AA	2.2
28561	Covalent_Unit_Count	1
52159	Tautomer_Count	2
5338	Exact_Mass	300.06809681
93002	Rotatable_Bond_Count	0
11083859	Non-hydrogen_Atom_Count	8
2104	Structure_Complexity	1410
59867303	Exact_Mass	112.063662883
15778	Non-hydrogen_Atom_Count	8
15293	Undefined_Bond_Stereo_Count	0
96309	Non-hydrogen_Atom_Count	14
3074827	Non-hydrogen_Atom_Count	18
101194	Molecular_Weight	113.16
66644	Defined_Atom_Stereo_Count	0
129858712	Hydrogen_Bond_Acceptor_Count	6
4888	Tautomer_Count	1
641005	Tautomer_Count	1
3384	Total_Formal_Charge	0
81079	Molecular_Weight	138.55
3016738	Undefined_Bond_Stereo_Count	0
166957	Structure_Complexity	0
75534860	Isotope_Atom_Count	0
10754	Hydrogen_Bond_Donor_Count	4
80108693	Rotatable_Bond_Count	1
53472683	Defined_Atom_Stereo_Count	1
271792	Total_Formal_Charge	0
12704953	Hydrogen_Bond_Donor_Count	2
420	Defined_Bond_Stereo_Count	0
70257	Structure_Complexity	44
6083100	Rotatable_Bond_Count	2
137572	Defined_Atom_Stereo_Count	0
10187	Mono_Isotopic_Weight	226.062994177
2762874	Hydrogen_Bond_Donor_Count	0
14388559	Rotatable_Bond_Count	1
13311902	Non-hydrogen_Atom_Count	7
140565377	Molecular_Weight	181.16
84921	Exact_Mass	129.115364102
75987156	Hydrogen_Bond_Donor_Count	2
9486	Undefined_Atom_Stereo_Count	0
143723227	Covalent_Unit_Count	1
5362893	Isotope_Atom_Count	0
32123	Hydrogen_Bond_Donor_Count	2
72492	Rotatable_Bond_Count	6
46879283	Defined_Bond_Stereo_Count	0
54493752	XLogP3-AA	1.1
54712709	Defined_Atom_Stereo_Count	2
2734244	Exact_Mass	240.1420914
165506	XLogP3	2.8
7066	Non-hydrogen_Atom_Count	18
3001055	Molecular_Weight	314.41
107807	Hydrogen_Bond_Donor_Count	2
68405	Covalent_Unit_Count	3
11256720	Covalent_Unit_Count	1
144161560	Exact_Mass	97.052763847
20587905	TPSA	23.8
70695665	Tautomer_Count	3
53819405	Exact_Mass	115.063328530
9568512	Mono_Isotopic_Weight	236.07318219
63333521	Undefined_Atom_Stereo_Count	1
466959	TPSA	177
72258	Molecular_Weight	163.17
6427110	Total_Formal_Charge	0
23422050	Covalent_Unit_Count	1
71963842	Rotatable_Bond_Count	15
12835056	Total_Formal_Charge	0
12200	Tautomer_Count	1
71311141	Mono_Isotopic_Weight	222.161979940
59172784	Non-hydrogen_Atom_Count	7
44593434	Rotatable_Bond_Count	4
147126464	Structure_Complexity	117
16679	Hydrogen_Bond_Donor_Count	0
9862937	Defined_Atom_Stereo_Count	0
594130	TPSA	44
4708	Rotatable_Bond_Count	4
11717025	Defined_Atom_Stereo_Count	0
2762906	TPSA	33.1
135413520	Exact_Mass	471.11307191
4066093	Undefined_Bond_Stereo_Count	0
13019077	Exact_Mass	416.32904526
289151	Mono_Isotopic_Weight	204.187800766
57131110	Hydrogen_Bond_Acceptor_Count	1
189562	Structure_Complexity	483
164330	Exact_Mass	1397.576390
7105	Tautomer_Count	1
15643399	Molecular_Weight	98.19
60196312	Non-hydrogen_Atom_Count	42
58318269	Structure_Complexity	415
141030371	Hydrogen_Bond_Donor_Count	0
6336505	Hydrogen_Bond_Donor_Count	3
8020	Structure_Complexity	12.4
414244	Molecular_Weight	117.15
21252133	Exact_Mass	114.104465066
5488579	Undefined_Atom_Stereo_Count	0
96098	Tautomer_Count	1
446066	Rotatable_Bond_Count	36
122174042	Non-hydrogen_Atom_Count	58
172288	Total_Formal_Charge	0
56841020	Rotatable_Bond_Count	4
1071	Undefined_Bond_Stereo_Count	4
54360	Hydrogen_Bond_Acceptor_Count	3
157294	Exact_Mass	363.19467705
101827037	Molecular_Weight	1389.9
10564696	Defined_Bond_Stereo_Count	0
415628	XLogP3-AA	2
78979	XLogP3-AA	3
58002108	Undefined_Bond_Stereo_Count	0
8793	Structure_Complexity	171
18622372	Undefined_Bond_Stereo_Count	0
20782688	Undefined_Bond_Stereo_Count	0
9954539	Covalent_Unit_Count	2
2764068	Covalent_Unit_Count	1
135191	Isotope_Atom_Count	0
60155097	Exact_Mass	448.17804118
248898	XLogP3-AA	1.8
47576	Undefined_Bond_Stereo_Count	0
57077963	Undefined_Bond_Stereo_Count	1
58375	Covalent_Unit_Count	1
16308	Rotatable_Bond_Count	1
11158353	Covalent_Unit_Count	1
517273	Defined_Atom_Stereo_Count	0
5744	Molecular_Weight	404.5
86213522	Hydrogen_Bond_Acceptor_Count	0
112680	Tautomer_Count	1
68610	Hydrogen_Bond_Donor_Count	2
144841571	Hydrogen_Bond_Acceptor_Count	2
67515	Covalent_Unit_Count	1
11421	Defined_Bond_Stereo_Count	0
5282550	Undefined_Bond_Stereo_Count	0
57095141	TPSA	21.3
17231	Total_Formal_Charge	0
524210	Undefined_Atom_Stereo_Count	0
91845299	Hydrogen_Bond_Donor_Count	8
67184	TPSA	37.4
90486	Hydrogen_Bond_Donor_Count	0
237546	Defined_Bond_Stereo_Count	0
88095	Molecular_Weight	162.14
45109807	Total_Formal_Charge	0
6160	Rotatable_Bond_Count	5
24765417	XLogP3-AA	2.4
55245	Rotatable_Bond_Count	3
5465	XLogP3	2.8
107947	Hydrogen_Bond_Donor_Count	4
118499237	Rotatable_Bond_Count	3
451188	Non-hydrogen_Atom_Count	12
437570	Molecular_Weight	100.08
8434	Undefined_Bond_Stereo_Count	0
20515773	Undefined_Bond_Stereo_Count	0
135409474	Exact_Mass	316.04775529
138117	Rotatable_Bond_Count	5
7638	Rotatable_Bond_Count	3
11655069	Mono_Isotopic_Weight	438.1016207
23695767	Total_Formal_Charge	0
5284537	XLogP3-AA	3.1
120738	Tautomer_Count	1
15810462	Covalent_Unit_Count	1
12649776	Structure_Complexity	74.1
39624	Molecular_Weight	353.8
23670770	Tautomer_Count	2
24848261	Molecular_Weight	413.9
123556697	Total_Formal_Charge	0
6440459	Mono_Isotopic_Weight	794.36980042
175191	Non-hydrogen_Atom_Count	24
80396	Total_Formal_Charge	0
9410	Molecular_Weight	303.8
23377620	Isotope_Atom_Count	0
44193111	Exact_Mass	396.1040837
63896	Defined_Bond_Stereo_Count	0
12201380	TPSA	30.7
139595999	Undefined_Atom_Stereo_Count	3
6479653	TPSA	355
7698	Hydrogen_Bond_Acceptor_Count	4
53470	Defined_Bond_Stereo_Count	0
19063438	Total_Formal_Charge	0
101663894	Structure_Complexity	811
73513	Covalent_Unit_Count	1
14405863	Covalent_Unit_Count	1
140143509	Exact_Mass	97.016378338
6918840	Rotatable_Bond_Count	13
3260420	Rotatable_Bond_Count	0
295864	Total_Formal_Charge	0
763	Defined_Atom_Stereo_Count	0
25023837	Molecular_Weight	430.8
12001831	TPSA	97.3
590130	Hydrogen_Bond_Acceptor_Count	2
21718278	Exact_Mass	111.079647300
11329359	Isotope_Atom_Count	0
8225	Tautomer_Count	1
96359	XLogP3-AA	3.1
10243	Rotatable_Bond_Count	1
123668737	TPSA	58.3
95258	XLogP3	1.2
5392139	TPSA	63.6
19163	Undefined_Bond_Stereo_Count	0
18608	Rotatable_Bond_Count	5
10238746	Isotope_Atom_Count	0
56666742	Isotope_Atom_Count	0
4545429	Covalent_Unit_Count	1
83517	Molecular_Weight	492.43
15774823	Undefined_Bond_Stereo_Count	0
6325	Rotatable_Bond_Count	0
98092	Mono_Isotopic_Weight	318.06003405
3918	XLogP3	3.1
71562	Defined_Bond_Stereo_Count	0
445248	Undefined_Atom_Stereo_Count	0
68739990	Structure_Complexity	104
10347501	Exact_Mass	549.16353150
70346812	Hydrogen_Bond_Donor_Count	1
5288525	XLogP3-AA	1.3
40973	Isotope_Atom_Count	0
24636	Defined_Bond_Stereo_Count	0
85708088	XLogP3-AA	3.2
21887872	Rotatable_Bond_Count	0
478809	Covalent_Unit_Count	1
137942834	Molecular_Weight	101.15
139062526	Molecular_Weight	308.22
8133	Undefined_Atom_Stereo_Count	0
3037032	Tautomer_Count	1
129796414	Molecular_Weight	177.22
3000506	Isotope_Atom_Count	0
45116684	Rotatable_Bond_Count	1
16130957	Defined_Atom_Stereo_Count	10
825	Molecular_Weight	131.13
853433	Exact_Mass	164.083729621
95400	Undefined_Atom_Stereo_Count	2
15222234	Isotope_Atom_Count	0
10244018	TPSA	66.8
2733939	Exact_Mass	535.761912
521355	Hydrogen_Bond_Acceptor_Count	1
12358497	Rotatable_Bond_Count	0
20061	Undefined_Bond_Stereo_Count	0
398516	Defined_Atom_Stereo_Count	0
750287	Isotope_Atom_Count	0
53954226	Covalent_Unit_Count	1
11492951	Defined_Atom_Stereo_Count	0
10889178	Mono_Isotopic_Weight	210.0196052
135425186	Structure_Complexity	493
16733482	Hydrogen_Bond_Donor_Count	4
515574	Structure_Complexity	194
199543	Isotope_Atom_Count	0
94834	Total_Formal_Charge	0
46174110	Covalent_Unit_Count	2
87713	Undefined_Bond_Stereo_Count	0
15765	Isotope_Atom_Count	0
208922	TPSA	6.5
722292	Total_Formal_Charge	0
21130160	Rotatable_Bond_Count	2
134688154	Isotope_Atom_Count	0
114709	Isotope_Atom_Count	0
129600765	Hydrogen_Bond_Acceptor_Count	11
21863610	Structure_Complexity	88.7
139085145	Molecular_Weight	296.29
16158103	Undefined_Bond_Stereo_Count	0
10347721	Mono_Isotopic_Weight	558.20900452
13034799	Exact_Mass	98.048012819
6419964	Hydrogen_Bond_Donor_Count	1
53427	Defined_Atom_Stereo_Count	0
66144	TPSA	43.4
12701621	TPSA	58.6
13197720	Undefined_Bond_Stereo_Count	0
11562233	Total_Formal_Charge	0
443943	Undefined_Atom_Stereo_Count	0
13946	XLogP3-AA	3.4
168131	Non-hydrogen_Atom_Count	19
44251605	Molecular_Weight	320.4
3034479	Defined_Atom_Stereo_Count	5
16642494	Defined_Atom_Stereo_Count	0
1031	Molecular_Weight	60.10
59311377	TPSA	50.2
85057	Hydrogen_Bond_Donor_Count	2
153834924	TPSA	47.6
131885396	Defined_Atom_Stereo_Count	0
15496999	Defined_Atom_Stereo_Count	0
3388301	TPSA	49.4
7421	Rotatable_Bond_Count	1
5282948	Undefined_Bond_Stereo_Count	0
23677989	Exact_Mass	751.15939355
72148	Total_Formal_Charge	0
93558	Non-hydrogen_Atom_Count	17
88898	Rotatable_Bond_Count	0
97536	Undefined_Atom_Stereo_Count	0
56520	Molecular_Weight	253.34
125127452	Isotope_Atom_Count	0
20299	Defined_Atom_Stereo_Count	0
6518189	Defined_Atom_Stereo_Count	0
11454753	Total_Formal_Charge	0
59841	Total_Formal_Charge	0
32731	Exact_Mass	336.04706368
5362460	Total_Formal_Charge	0
16051955	Rotatable_Bond_Count	13
11493598	Total_Formal_Charge	0
12933341	Isotope_Atom_Count	0
12486323	Isotope_Atom_Count	0
33478	Rotatable_Bond_Count	9
14911569	Molecular_Weight	100.12
74377607	Molecular_Weight	98.10
31005	Undefined_Atom_Stereo_Count	2
378532	Molecular_Weight	206.15
12543515	Molecular_Weight	59.09
62080	Exact_Mass	292.18858861
6451285	Molecular_Weight	257.37
150841	Hydrogen_Bond_Donor_Count	1
14297145	Mono_Isotopic_Weight	236.00449107
81890	Defined_Atom_Stereo_Count	0
129797817	Covalent_Unit_Count	1
14552708	Defined_Atom_Stereo_Count	0
71007	Tautomer_Count	1
93186	XLogP3-AA	3.4
9307	Molecular_Weight	211.21
12290023	Total_Formal_Charge	0
10184774	Defined_Bond_Stereo_Count	0
11338127	Undefined_Atom_Stereo_Count	0
164113877	Defined_Bond_Stereo_Count	0
83979	Rotatable_Bond_Count	5
53785673	Undefined_Atom_Stereo_Count	0
11029769	Undefined_Atom_Stereo_Count	0
7790	Rotatable_Bond_Count	11
7496	TPSA	142
59750537	Defined_Atom_Stereo_Count	0
89349945	Non-hydrogen_Atom_Count	8
7021	Undefined_Bond_Stereo_Count	1
83167	Total_Formal_Charge	0
6431301	Exact_Mass	194.130679813
163276613	Hydrogen_Bond_Acceptor_Count	2
165075	Hydrogen_Bond_Acceptor_Count	7
5365811	Defined_Atom_Stereo_Count	0
68510675	Total_Formal_Charge	0
54686843	Total_Formal_Charge	0
17904790	Rotatable_Bond_Count	1
656838	Defined_Atom_Stereo_Count	0
4101	TPSA	13
67472	Mono_Isotopic_Weight	180.068748264
14020437	Structure_Complexity	80.2
56649463	Total_Formal_Charge	0
15739357	Structure_Complexity	206
118984411	Undefined_Atom_Stereo_Count	0
49769064	Rotatable_Bond_Count	9
7019	Total_Formal_Charge	0
20209050	TPSA	46.6
62865	Molecular_Weight	323.5
11412346	Mono_Isotopic_Weight	97.089149355
4884	Exact_Mass	137.071487915
827453	Exact_Mass	324.0083890
5283742	Exact_Mass	416.32904526
87468122	Rotatable_Bond_Count	3
14355311	Mono_Isotopic_Weight	121.01974964
657302	Tautomer_Count	2
18628727	Undefined_Bond_Stereo_Count	0
519271	Hydrogen_Bond_Acceptor_Count	1
28837	Defined_Atom_Stereo_Count	0
9535	Exact_Mass	148.08995782
542892	Defined_Bond_Stereo_Count	0
60203	Non-hydrogen_Atom_Count	16
720637	Isotope_Atom_Count	0
453915	Rotatable_Bond_Count	1
27893	Defined_Atom_Stereo_Count	0
11033	Defined_Atom_Stereo_Count	0
11589054	Undefined_Bond_Stereo_Count	0
23090608	Defined_Atom_Stereo_Count	0
57505393	Hydrogen_Bond_Donor_Count	1
148401	Structure_Complexity	34.8
34591	Undefined_Atom_Stereo_Count	0
154776153	Rotatable_Bond_Count	0
53689772	Molecular_Weight	108.10
137184495	Rotatable_Bond_Count	8
194699	Defined_Bond_Stereo_Count	0
83247	Defined_Atom_Stereo_Count	0
75598	Exact_Mass	151.063328530
57751145	Molecular_Weight	99.09
5858	Defined_Atom_Stereo_Count	6
6613	Rotatable_Bond_Count	6
136797998	Structure_Complexity	555
98044588	Defined_Bond_Stereo_Count	0
9075	Mono_Isotopic_Weight	157.0658271
18139	Hydrogen_Bond_Acceptor_Count	4
57392610	Total_Formal_Charge	0
12742	Hydrogen_Bond_Donor_Count	0
1486	Covalent_Unit_Count	1
13612	Defined_Bond_Stereo_Count	0
69537	Covalent_Unit_Count	1
54522	Defined_Atom_Stereo_Count	0
562176	XLogP3-AA	2.8
3388710	Exact_Mass	115.00918496
4646	Non-hydrogen_Atom_Count	17
90997437	TPSA	60.7
463365	Exact_Mass	522.28824308
18759351	Isotope_Atom_Count	0
23672064	Hydrogen_Bond_Donor_Count	2
287180	TPSA	70.5
23627460	Isotope_Atom_Count	0
12865500	Molecular_Weight	116.16
118388035	Hydrogen_Bond_Donor_Count	2
11959	Structure_Complexity	128
10436	Mono_Isotopic_Weight	124.052429494
31336	TPSA	71.1
37425	Structure_Complexity	161
118098295	Hydrogen_Bond_Acceptor_Count	11
8575	Mono_Isotopic_Weight	222.08920892
72728884	Exact_Mass	97.089149355
16687076	Undefined_Bond_Stereo_Count	0
519161	Total_Formal_Charge	0
3739682	Undefined_Atom_Stereo_Count	0
92363	Rotatable_Bond_Count	1
22812306	Total_Formal_Charge	0
15983966	Covalent_Unit_Count	1
6546	Defined_Bond_Stereo_Count	0
9218	Defined_Atom_Stereo_Count	0
88323	Covalent_Unit_Count	1
76960246	Mono_Isotopic_Weight	449.059366
2942	Total_Formal_Charge	0
22843	Covalent_Unit_Count	1
59473233	Defined_Bond_Stereo_Count	0
14072448	Mono_Isotopic_Weight	114.042927438
34260	XLogP3-AA	6.9
68858	Exact_Mass	277.146664230
12933432	TPSA	50.8
23581798	Undefined_Bond_Stereo_Count	0
6628	Total_Formal_Charge	0
9868219	Undefined_Atom_Stereo_Count	0
10095659	Structure_Complexity	575
123628273	Defined_Bond_Stereo_Count	0
146089	Molecular_Weight	256.33
8875	Structure_Complexity	451
7026090	Hydrogen_Bond_Donor_Count	0
33539	TPSA	96.2
158800	Exact_Mass	785.45615581
23532160	Hydrogen_Bond_Donor_Count	1
13438401	Covalent_Unit_Count	1
443131	XLogP3	3.3
10399	Undefined_Atom_Stereo_Count	0
3137	Defined_Bond_Stereo_Count	0
5284648	XLogP3-AA	2.1
87663190	Hydrogen_Bond_Donor_Count	0
110823	TPSA	44.5
24848360	Exact_Mass	297.14254485
101561	Exact_Mass	120.04225873
6951525	Structure_Complexity	55.1
10907686	Exact_Mass	110.073164938
12506259	Exact_Mass	115.063328530
16682935	Structure_Complexity	205
56955284	Hydrogen_Bond_Acceptor_Count	2
92363	Undefined_Bond_Stereo_Count	0
133134	Undefined_Bond_Stereo_Count	0
31593	Mono_Isotopic_Weight	260.09094026
482604	Exact_Mass	284.08575825
70198	Hydrogen_Bond_Donor_Count	0
866607	Non-hydrogen_Atom_Count	23
3173542	Hydrogen_Bond_Donor_Count	0
11271640	Non-hydrogen_Atom_Count	28
5357696	Molecular_Weight	85.468
5326637	Molecular_Weight	273.20
9800555	Isotope_Atom_Count	0
3263	Defined_Atom_Stereo_Count	0
39268	Rotatable_Bond_Count	8
6994	XLogP3	1.6
21604849	Exact_Mass	110.073164938
24875372	Molecular_Weight	500.7
10767	Exact_Mass	235.157228913
5494449	Covalent_Unit_Count	1
16115747	Rotatable_Bond_Count	6
86100	Defined_Bond_Stereo_Count	0
165286	Rotatable_Bond_Count	0
9566269	Hydrogen_Bond_Acceptor_Count	5
14142596	Isotope_Atom_Count	0
7301	Mono_Isotopic_Weight	86.073164938
68539	Isotope_Atom_Count	0
11639	Structure_Complexity	4.8
20542700	Total_Formal_Charge	0
16051969	Undefined_Atom_Stereo_Count	0
54583833	Undefined_Bond_Stereo_Count	0
1711973	Covalent_Unit_Count	1
44249711	Isotope_Atom_Count	0
208952	Exact_Mass	431.0960588
66080	Mono_Isotopic_Weight	96.093900383
456222	Hydrogen_Bond_Acceptor_Count	4
10088189	Covalent_Unit_Count	1
96424	Mono_Isotopic_Weight	353.01401281
13444041	Non-hydrogen_Atom_Count	8
53393586	Mono_Isotopic_Weight	527.23263824
54681623	Defined_Atom_Stereo_Count	0
13049377	Mono_Isotopic_Weight	114.068079557
70314955	Molecular_Weight	112.09
65681	Hydrogen_Bond_Acceptor_Count	3
88114173	Total_Formal_Charge	0
4456	Structure_Complexity	246
2292	Total_Formal_Charge	0
446056	Rotatable_Bond_Count	4
22645860	Non-hydrogen_Atom_Count	7
9989264	TPSA	17.8
151193	Molecular_Weight	464.9
3058839	Molecular_Weight	262.34
5052860	Defined_Atom_Stereo_Count	0
104416	Tautomer_Count	1
97383	Undefined_Bond_Stereo_Count	0
24906119	XLogP3-AA	2.8
164512	TPSA	51.2
10155136	XLogP3-AA	3.6
8757	Structure_Complexity	25.5
643790	Hydrogen_Bond_Acceptor_Count	2
57398255	Exact_Mass	479.16272547
12594098	Hydrogen_Bond_Donor_Count	0
44228720	Undefined_Bond_Stereo_Count	0
73465	Exact_Mass	246.125594432
426	Isotope_Atom_Count	0
7447	Molecular_Weight	168.15
12110	Defined_Atom_Stereo_Count	0
612130	Isotope_Atom_Count	0
21447199	Structure_Complexity	66.5
162651	Non-hydrogen_Atom_Count	3
92822	Isotope_Atom_Count	0
510	TPSA	140
12613	XLogP3-AA	3.1
119182	Mono_Isotopic_Weight	303.0534451
68751	Hydrogen_Bond_Donor_Count	1
10271800	TPSA	86.5
23992	Undefined_Atom_Stereo_Count	0
53947	Rotatable_Bond_Count	9
2724629	Defined_Atom_Stereo_Count	2
13574480	Rotatable_Bond_Count	2
18626412	Molecular_Weight	102.13
10132189	TPSA	61
32872	Tautomer_Count	6
5198	Hydrogen_Bond_Donor_Count	1
448051	Hydrogen_Bond_Acceptor_Count	6
21019405	Covalent_Unit_Count	1
161973	Molecular_Weight	296.5
62092	Hydrogen_Bond_Donor_Count	0
156391	Isotope_Atom_Count	0
34515	Molecular_Weight	332.4
44348	Tautomer_Count	1
92209	Hydrogen_Bond_Donor_Count	1
72376365	Exact_Mass	785.31085
117190135	Mono_Isotopic_Weight	114.042927438
57234721	Mono_Isotopic_Weight	96.057514874
5108689	Hydrogen_Bond_Acceptor_Count	3
10287749	Exact_Mass	413.30422750
11565289	Covalent_Unit_Count	1
15983549	Mono_Isotopic_Weight	454.22162007
13577903	Hydrogen_Bond_Donor_Count	2
6441082	Molecular_Weight	356.4
9955015	Structure_Complexity	453
19847	Exact_Mass	281.9554066
107751	Total_Formal_Charge	0
180335	Mono_Isotopic_Weight	351.1423633
60150204	Undefined_Bond_Stereo_Count	0
20254	Hydrogen_Bond_Acceptor_Count	1
25244760	Molecular_Weight	137.05
3094	Defined_Atom_Stereo_Count	0
10047003	Hydrogen_Bond_Donor_Count	1
11508058	Hydrogen_Bond_Donor_Count	0
42512	Rotatable_Bond_Count	7
91018	Defined_Atom_Stereo_Count	0
76318	Undefined_Bond_Stereo_Count	0
5206	Total_Formal_Charge	0
19768091	Rotatable_Bond_Count	2
14027329	Hydrogen_Bond_Acceptor_Count	2
124202907	Undefined_Bond_Stereo_Count	0
34148	Exact_Mass	368.11774614
53710320	Defined_Atom_Stereo_Count	0
4632	Structure_Complexity	258
10108847	Rotatable_Bond_Count	5
80092	Isotope_Atom_Count	0
142952	Structure_Complexity	107
70689446	XLogP3-AA	1.5
12868192	XLogP3-AA	0.9
740	Covalent_Unit_Count	1
11396	Molecular_Weight	156.22
57401865	Total_Formal_Charge	0
51041	XLogP3	6.6
11865405	Hydrogen_Bond_Donor_Count	2
123634	Defined_Atom_Stereo_Count	17
24180873	Mono_Isotopic_Weight	666.70029
640194	Covalent_Unit_Count	1
688311	Exact_Mass	243.95352
3694570	Defined_Atom_Stereo_Count	0
21049457	Undefined_Atom_Stereo_Count	0
135983	Non-hydrogen_Atom_Count	11
11346	Molecular_Weight	165.15
75252	Total_Formal_Charge	0
53151	Defined_Atom_Stereo_Count	0
25133978	Isotope_Atom_Count	0
579338	Non-hydrogen_Atom_Count	9
5205	Exact_Mass	261.151749610
92044408	Hydrogen_Bond_Acceptor_Count	28
20752353	TPSA	12.5
13046622	Hydrogen_Bond_Acceptor_Count	1
19431	Molecular_Weight	273.12
46218908	Mono_Isotopic_Weight	580.28969963
20333386	Exact_Mass	141.115364102
4946	Defined_Bond_Stereo_Count	0
17676	Structure_Complexity	540
22006231	Defined_Bond_Stereo_Count	0
6436055	Undefined_Atom_Stereo_Count	0
11457675	Rotatable_Bond_Count	3
12984095	Undefined_Atom_Stereo_Count	1
7472	Undefined_Bond_Stereo_Count	0
994360	Undefined_Bond_Stereo_Count	0
154522874	Exact_Mass	98.084398327
68938028	Rotatable_Bond_Count	8
208925	Hydrogen_Bond_Donor_Count	1
23666711	TPSA	242
69695	Defined_Bond_Stereo_Count	0
6027	Isotope_Atom_Count	0
6473878	Undefined_Bond_Stereo_Count	0
56208	Molecular_Weight	385.4
64832	Total_Formal_Charge	0
54260	Molecular_Weight	317.5
5466139	Non-hydrogen_Atom_Count	20
543047	Hydrogen_Bond_Donor_Count	1
16212950	Defined_Bond_Stereo_Count	0
55482	Structure_Complexity	593
3710788	Total_Formal_Charge	0
9877	Mono_Isotopic_Weight	147.9902769
12817963	Structure_Complexity	113
89559	Defined_Atom_Stereo_Count	0
69245	Tautomer_Count	1
13046622	Rotatable_Bond_Count	2
9642	Mono_Isotopic_Weight	494.21160968
13356643	XLogP3-AA	0.4
91739	Mono_Isotopic_Weight	240.9697338
66792573	Rotatable_Bond_Count	1
88705879	TPSA	46.2
57394330	Mono_Isotopic_Weight	442.29439109
441348	Exact_Mass	306.0901833
134715456	Structure_Complexity	639
2684	XLogP3-AA	1.5
938021	Covalent_Unit_Count	1
71072050	Isotope_Atom_Count	0
137075	TPSA	15.8
68576	Undefined_Bond_Stereo_Count	0
3010347	Hydrogen_Bond_Donor_Count	1
132306	Defined_Bond_Stereo_Count	0
70144	Mono_Isotopic_Weight	164.047344113
154574495	Rotatable_Bond_Count	2
23892	TPSA	104
11040661	Exact_Mass	114.068079557
951	Defined_Bond_Stereo_Count	0
247673	Exact_Mass	545.19104822
66199	Hydrogen_Bond_Donor_Count	0
17473	Covalent_Unit_Count	1
49227	Rotatable_Bond_Count	5
18591	Structure_Complexity	46
87280032	Defined_Bond_Stereo_Count	0
181138	Mono_Isotopic_Weight	186.115698455
448165	Exact_Mass	342.11621151
135707781	TPSA	240
643732	Rotatable_Bond_Count	3
19927	XLogP3-AA	1
453915	Undefined_Bond_Stereo_Count	0
80603	Rotatable_Bond_Count	1
34468	Isotope_Atom_Count	0
22817	Undefined_Atom_Stereo_Count	0
124956	TPSA	59.1
129816	Structure_Complexity	567
2518	Covalent_Unit_Count	1
53321470	Rotatable_Bond_Count	6
10170	Structure_Complexity	963
3030770	Covalent_Unit_Count	2
65777	XLogP3-AA	3.5
6638	Undefined_Atom_Stereo_Count	0
18728952	Hydrogen_Bond_Acceptor_Count	2
195906	Hydrogen_Bond_Acceptor_Count	2
15757501	Hydrogen_Bond_Donor_Count	0
3658	Hydrogen_Bond_Acceptor_Count	4
1803	Molecular_Weight	243.22
4400696	XLogP3-AA	2.2
19973	Total_Formal_Charge	0
129691409	Defined_Bond_Stereo_Count	0
545624	Isotope_Atom_Count	0
30771	Defined_Atom_Stereo_Count	0
59067341	Exact_Mass	116.047344113
11722	Rotatable_Bond_Count	1
24208	Hydrogen_Bond_Acceptor_Count	3
2794666	Hydrogen_Bond_Donor_Count	2
80293	Defined_Bond_Stereo_Count	0
21674229	Molecular_Weight	654.8
122081	Undefined_Bond_Stereo_Count	0
19938019	Undefined_Atom_Stereo_Count	0
57104	Total_Formal_Charge	0
637991	Defined_Bond_Stereo_Count	0
31200	Non-hydrogen_Atom_Count	17
449107	Mono_Isotopic_Weight	531.30970680
688093	Defined_Bond_Stereo_Count	0
138322	Hydrogen_Bond_Donor_Count	0
21809017	Structure_Complexity	116
17753851	XLogP3-AA	3.4
54535780	Exact_Mass	95.073499291
13854255	Undefined_Atom_Stereo_Count	0
253	Covalent_Unit_Count	1
6917738	Isotope_Atom_Count	0
15204529	Undefined_Atom_Stereo_Count	2
61055	Defined_Bond_Stereo_Count	0
88771736	Undefined_Atom_Stereo_Count	0
22591684	Covalent_Unit_Count	1
21497	XLogP3-AA	0.1
15260	Total_Formal_Charge	0
63079	Undefined_Atom_Stereo_Count	0
90781811	Total_Formal_Charge	0
61634	Undefined_Bond_Stereo_Count	0
106219	Hydrogen_Bond_Donor_Count	0
131744	Molecular_Weight	116.16
9571009	Total_Formal_Charge	0
39223	Isotope_Atom_Count	0
21324831	Defined_Atom_Stereo_Count	0
6266	Molecular_Weight	336.8
30815	Undefined_Bond_Stereo_Count	0
694041	Hydrogen_Bond_Donor_Count	2
57406720	TPSA	71.6
23080868	Mono_Isotopic_Weight	111.068413911
11910	Molecular_Weight	143.18
67233382	Hydrogen_Bond_Donor_Count	2
575101	Covalent_Unit_Count	1
62130	Tautomer_Count	1
14284	Isotope_Atom_Count	0
130147045	Hydrogen_Bond_Donor_Count	1
136863	Structure_Complexity	68
10132189	Defined_Bond_Stereo_Count	0
35331	Structure_Complexity	300
71586635	Covalent_Unit_Count	1
64758	Rotatable_Bond_Count	19
73330464	Hydrogen_Bond_Acceptor_Count	6
5352133	Non-hydrogen_Atom_Count	13
515443	Undefined_Bond_Stereo_Count	0
12288423	Hydrogen_Bond_Acceptor_Count	1
13184	Structure_Complexity	52.9
170813	Isotope_Atom_Count	0
129720364	Hydrogen_Bond_Donor_Count	3
96160	Exact_Mass	69.057849228
13327309	Hydrogen_Bond_Acceptor_Count	2
58323974	XLogP3-AA	3.1
166775	Exact_Mass	666.22185834
5362115	Total_Formal_Charge	0
156599083	Defined_Bond_Stereo_Count	1
71460852	Covalent_Unit_Count	1
66612869	Structure_Complexity	90.4
63650	Hydrogen_Bond_Acceptor_Count	4
3082718	Exact_Mass	390.1265688
67849	Covalent_Unit_Count	1
72941955	Covalent_Unit_Count	1
157010058	Defined_Bond_Stereo_Count	0
292	Defined_Bond_Stereo_Count	0
8980	Structure_Complexity	211
11446305	TPSA	33
3792939	Exact_Mass	101.904340
11379	Isotope_Atom_Count	0
439498	Mono_Isotopic_Weight	178.04121336
54766	Hydrogen_Bond_Acceptor_Count	6
3084447	Mono_Isotopic_Weight	297.1495567
94204	Molecular_Weight	440.7
10444	Mono_Isotopic_Weight	89.02992040
135443389	Hydrogen_Bond_Donor_Count	3
1429	Structure_Complexity	316
55119	Hydrogen_Bond_Acceptor_Count	1
376375	Undefined_Atom_Stereo_Count	0
1289	Mono_Isotopic_Weight	349.20015635
527511	TPSA	4.9
72764	Tautomer_Count	2
547738	Structure_Complexity	76.2
12676503	Hydrogen_Bond_Donor_Count	0
13600041	Non-hydrogen_Atom_Count	7
199229	Hydrogen_Bond_Acceptor_Count	2
124220089	XLogP3-AA	5.1
16049087	Hydrogen_Bond_Acceptor_Count	7
180288	Exact_Mass	724.3998305
44407551	Covalent_Unit_Count	1
319771	Tautomer_Count	5
134694652	Defined_Bond_Stereo_Count	1
284024	Isotope_Atom_Count	0
10379	Hydrogen_Bond_Acceptor_Count	3
11062545	Non-hydrogen_Atom_Count	8
26877	Undefined_Atom_Stereo_Count	2
16736529	Molecular_Weight	318.76
120095	TPSA	20.2
12643154	TPSA	21.9
1016	Hydrogen_Bond_Acceptor_Count	7
131697803	Defined_Atom_Stereo_Count	6
136920818	Total_Formal_Charge	0
154911	Isotope_Atom_Count	0
27435	Structure_Complexity	327
5360	Undefined_Bond_Stereo_Count	0
17928	Hydrogen_Bond_Donor_Count	1
22575031	Molecular_Weight	114.10
6450816	Mono_Isotopic_Weight	612.2173192
62932	Defined_Bond_Stereo_Count	0
10526	Defined_Atom_Stereo_Count	5
5318386	Tautomer_Count	1
9859692	Defined_Atom_Stereo_Count	0
76958691	Mono_Isotopic_Weight	276.11100700
427	Defined_Atom_Stereo_Count	0
163488608	Isotope_Atom_Count	0
121249	Covalent_Unit_Count	1
86593	Defined_Bond_Stereo_Count	0
25010550	Undefined_Atom_Stereo_Count	0
550642	Total_Formal_Charge	0
13661819	Hydrogen_Bond_Donor_Count	1
22856	Defined_Bond_Stereo_Count	0
2958	Tautomer_Count	54
53814234	Molecular_Weight	101.10
1397	TPSA	72.8
9604653	Undefined_Atom_Stereo_Count	0
62545	Hydrogen_Bond_Acceptor_Count	5
54706138	Non-hydrogen_Atom_Count	49
21583979	Rotatable_Bond_Count	0
5467	Exact_Mass	328.14567842
87438806	Exact_Mass	104.094963011
90173	Total_Formal_Charge	0
5355863	Rotatable_Bond_Count	6
91185	Isotope_Atom_Count	0
11335	Hydrogen_Bond_Acceptor_Count	1
9395	Mono_Isotopic_Weight	275.05587416
5356785	Defined_Atom_Stereo_Count	0
5081356	XLogP3-AA	2.4
72943	Molecular_Weight	502.7
42710	Molecular_Weight	361.9
9060	Isotope_Atom_Count	0
13138140	Undefined_Atom_Stereo_Count	2
143051390	Mono_Isotopic_Weight	99.068413911
4202286	Covalent_Unit_Count	1
75274	XLogP3-AA	0.5
20689	Rotatable_Bond_Count	6
3004	Rotatable_Bond_Count	6
9259	Molecular_Weight	80.09
10493936	Hydrogen_Bond_Donor_Count	1
16685015	Mono_Isotopic_Weight	533.77790
11441307	XLogP3-AA	5.2
44299	Defined_Bond_Stereo_Count	0
78126908	Mono_Isotopic_Weight	472.31887450
18867	Molecular_Weight	224.26
10687	Defined_Atom_Stereo_Count	0
71107	Mono_Isotopic_Weight	426.12494298
564664	Non-hydrogen_Atom_Count	8
66192	Defined_Atom_Stereo_Count	0
135544142	Hydrogen_Bond_Acceptor_Count	7
6603697	Covalent_Unit_Count	1
99798	Covalent_Unit_Count	1
7464	Total_Formal_Charge	0
895	Undefined_Bond_Stereo_Count	0
9984374	Isotope_Atom_Count	0
23054502	Defined_Atom_Stereo_Count	0
54392263	Exact_Mass	114.104465066
24550	Defined_Atom_Stereo_Count	0
60942	Undefined_Atom_Stereo_Count	6
12561969	Covalent_Unit_Count	1
9464	Undefined_Atom_Stereo_Count	0
164282	Covalent_Unit_Count	1
69677	Undefined_Atom_Stereo_Count	0
91694113	Structure_Complexity	298
68324677	Defined_Atom_Stereo_Count	1
63075	Hydrogen_Bond_Acceptor_Count	0
72165228	Hydrogen_Bond_Acceptor_Count	8
77737505	Hydrogen_Bond_Acceptor_Count	1
49862627	Hydrogen_Bond_Donor_Count	1
107676	Covalent_Unit_Count	3
9804991	Hydrogen_Bond_Acceptor_Count	6
447249	Isotope_Atom_Count	0
54393307	Hydrogen_Bond_Donor_Count	0
98043897	Total_Formal_Charge	0
3651377	TPSA	67.5
15448	Undefined_Atom_Stereo_Count	1
13076	Non-hydrogen_Atom_Count	16
9939298	Non-hydrogen_Atom_Count	46
31209	Structure_Complexity	199
21687221	Structure_Complexity	125
19089767	Undefined_Bond_Stereo_Count	0
91053206	Undefined_Atom_Stereo_Count	1
37020	Undefined_Bond_Stereo_Count	0
80293	Mono_Isotopic_Weight	123.068413911
69333861	Hydrogen_Bond_Acceptor_Count	4
78358485	Covalent_Unit_Count	1
14651092	TPSA	69.6
2724103	Molecular_Weight	155.15
54224045	Isotope_Atom_Count	0
97754	Rotatable_Bond_Count	1
647120	Exact_Mass	403.1274391
4562	Undefined_Bond_Stereo_Count	4
567	Molecular_Weight	277.70
26295	Total_Formal_Charge	0
8764	TPSA	35.2
443945	Tautomer_Count	1
19815249	Defined_Atom_Stereo_Count	0
57473	TPSA	47.6
784	Molecular_Weight	34.015
25904	XLogP3-AA	4.6
51299	Non-hydrogen_Atom_Count	13
10398490	Covalent_Unit_Count	1
3246941	Isotope_Atom_Count	0
80873	Undefined_Atom_Stereo_Count	0
62751	Isotope_Atom_Count	0
394428	Isotope_Atom_Count	0
107715	Covalent_Unit_Count	1
10130360	Hydrogen_Bond_Acceptor_Count	4
153127831	Defined_Bond_Stereo_Count	0
123801117	Exact_Mass	110.109550447
23667630	Non-hydrogen_Atom_Count	30
2691	Rotatable_Bond_Count	10
6440728	Hydrogen_Bond_Acceptor_Count	3
37239	Undefined_Bond_Stereo_Count	0
12146	Molecular_Weight	142.20
19868281	Structure_Complexity	103
183812	Non-hydrogen_Atom_Count	31
57396625	Defined_Atom_Stereo_Count	0
57031203	Defined_Atom_Stereo_Count	0
71709	Total_Formal_Charge	0
71456725	Isotope_Atom_Count	0
10126799	Rotatable_Bond_Count	5
63989	Defined_Atom_Stereo_Count	0
41185	Isotope_Atom_Count	0
177700	Rotatable_Bond_Count	0
77290	Covalent_Unit_Count	1
101796201	Structure_Complexity	151
5454	Structure_Complexity	711
24999143	Exact_Mass	469.28282334
61083	Structure_Complexity	93.9
73919	Undefined_Atom_Stereo_Count	0
25271781	Molecular_Weight	326.5
14723649	Hydrogen_Bond_Donor_Count	0
2147	Rotatable_Bond_Count	0
137321858	Structure_Complexity	982
87479093	Total_Formal_Charge	0
112230	Hydrogen_Bond_Donor_Count	3
15942852	Undefined_Atom_Stereo_Count	2
72854	Defined_Bond_Stereo_Count	0
11979704	Non-hydrogen_Atom_Count	77
96458	Defined_Bond_Stereo_Count	0
4163	Hydrogen_Bond_Donor_Count	2
709156	Hydrogen_Bond_Donor_Count	0
123920	Covalent_Unit_Count	1
31767	Covalent_Unit_Count	1
11957515	TPSA	23.5
110964	Rotatable_Bond_Count	0
7832	Hydrogen_Bond_Donor_Count	0
6219	Non-hydrogen_Atom_Count	22
19549	Non-hydrogen_Atom_Count	13
25091037	Rotatable_Bond_Count	37
22068766	TPSA	74.5
542305	Molecular_Weight	118.17
83478540	Structure_Complexity	98.7
68737	Rotatable_Bond_Count	2
443404	Tautomer_Count	3
50897	Molecular_Weight	383.4
33728341	Non-hydrogen_Atom_Count	8
1291	Isotope_Atom_Count	0
79865794	Mono_Isotopic_Weight	112.088815002
3117	Mono_Isotopic_Weight	296.05093334
37901	TPSA	76
91277	Structure_Complexity	342
446801	Isotope_Atom_Count	0
17171354	TPSA	41.1
135398679	Defined_Bond_Stereo_Count	0
3459	Defined_Bond_Stereo_Count	0
24848321	Molecular_Weight	289.4
91763	Undefined_Bond_Stereo_Count	0
57340467	Undefined_Atom_Stereo_Count	2
492967	Rotatable_Bond_Count	15
562796	Undefined_Bond_Stereo_Count	0
449366	Molecular_Weight	501.6
8927	Defined_Atom_Stereo_Count	0
16064	Non-hydrogen_Atom_Count	17
519726	Defined_Atom_Stereo_Count	0
13691769	XLogP3-AA	1.1
71719268	XLogP3-AA	4.5
101642132	Structure_Complexity	90.4
442882	Defined_Atom_Stereo_Count	0
250716	TPSA	105
31205	Molecular_Weight	388.7
131674917	Undefined_Bond_Stereo_Count	0
10977	Mono_Isotopic_Weight	106.0549280
12998627	Exact_Mass	250.01157045
513917	Hydrogen_Bond_Acceptor_Count	8
45266742	Mono_Isotopic_Weight	258.03787837
19993419	Hydrogen_Bond_Donor_Count	1
11818	Hydrogen_Bond_Donor_Count	0
28064878	Rotatable_Bond_Count	1
68914546	Covalent_Unit_Count	2
15062870	Molecular_Weight	112.13
135413544	Undefined_Atom_Stereo_Count	0
4477	Total_Formal_Charge	0
12323	XLogP3-AA	2
135512673	Hydrogen_Bond_Acceptor_Count	15
829	Isotope_Atom_Count	0
15940870	Hydrogen_Bond_Donor_Count	0
44629591	Non-hydrogen_Atom_Count	40
123239743	Rotatable_Bond_Count	1
2640	Rotatable_Bond_Count	7
2063	Exact_Mass	184.063662883
6440842	Undefined_Atom_Stereo_Count	1
118014938	Exact_Mass	114.104465066
13531445	Undefined_Bond_Stereo_Count	0
5330472	Molecular_Weight	365.4
4206565	XLogP3	2.3
6321405	Defined_Bond_Stereo_Count	0
12192	Hydrogen_Bond_Donor_Count	0
91435393	Undefined_Atom_Stereo_Count	1
24871329	Mono_Isotopic_Weight	639.8696636
22614138	Non-hydrogen_Atom_Count	8
8087	Rotatable_Bond_Count	4
26249	Hydrogen_Bond_Acceptor_Count	8
53765090	Total_Formal_Charge	0
87612217	Hydrogen_Bond_Acceptor_Count	4
240534	Hydrogen_Bond_Acceptor_Count	2
79345	Defined_Atom_Stereo_Count	0
6477182	TPSA	74.2
29971	Covalent_Unit_Count	1
57387	TPSA	74.8
326	Total_Formal_Charge	0
5273472	Total_Formal_Charge	0
6328648	TPSA	0
71311337	Hydrogen_Bond_Donor_Count	1
10290744	Undefined_Bond_Stereo_Count	0
3766	Defined_Bond_Stereo_Count	0
2724100	Molecular_Weight	594.5
25008	Covalent_Unit_Count	1
3389	Defined_Atom_Stereo_Count	0
8863	Defined_Atom_Stereo_Count	0
5242420	TPSA	56.1
81093	Non-hydrogen_Atom_Count	8
10796718	Exact_Mass	112.052429494
146019527	Non-hydrogen_Atom_Count	43
15179483	Defined_Atom_Stereo_Count	1
6501	Defined_Atom_Stereo_Count	0
53627587	Structure_Complexity	72.1
74086836	Exact_Mass	183.87579
53936618	Covalent_Unit_Count	1
885959	Defined_Atom_Stereo_Count	0
67214	Molecular_Weight	406.4
3047830	Defined_Atom_Stereo_Count	0
6369389	Undefined_Atom_Stereo_Count	0
25273647	Covalent_Unit_Count	1
5288390	Defined_Bond_Stereo_Count	0
17739	Non-hydrogen_Atom_Count	12
15475335	Covalent_Unit_Count	1
19966769	Isotope_Atom_Count	0
8925	Hydrogen_Bond_Donor_Count	0
31335	Covalent_Unit_Count	1
7401	Defined_Atom_Stereo_Count	0
77067	Covalent_Unit_Count	2
133920	Hydrogen_Bond_Acceptor_Count	11
76971015	Non-hydrogen_Atom_Count	36
21397222	Undefined_Atom_Stereo_Count	1
16501	Rotatable_Bond_Count	3
11477652	Defined_Atom_Stereo_Count	0
447835	XLogP3	4.3
122669	Isotope_Atom_Count	0
12435	Defined_Bond_Stereo_Count	0
65067	Structure_Complexity	197
68947	Hydrogen_Bond_Acceptor_Count	2
5857	Undefined_Bond_Stereo_Count	0
57545	Isotope_Atom_Count	0
91826463	Exact_Mass	434.21046687
24478	TPSA	98
3083702	Total_Formal_Charge	0
7163	Undefined_Atom_Stereo_Count	0
975767	Rotatable_Bond_Count	4
3110	Hydrogen_Bond_Donor_Count	0
84602	Hydrogen_Bond_Donor_Count	0
72210	XLogP3-AA	1.4
144531850	Undefined_Atom_Stereo_Count	0
12885790	Structure_Complexity	101
51425	Defined_Atom_Stereo_Count	0
457302	Exact_Mass	670.31914349
74030550	Undefined_Atom_Stereo_Count	40
27781	TPSA	23.6
424353	Exact_Mass	399.20457303
135887820	Mono_Isotopic_Weight	876.45207349
32593	Mono_Isotopic_Weight	371.16968530
86287525	Undefined_Bond_Stereo_Count	0
3623	XLogP3	1.9
60196293	Exact_Mass	372.1404692
951	Isotope_Atom_Count	0
193846	Defined_Bond_Stereo_Count	0
444008	Undefined_Atom_Stereo_Count	0
25271812	Isotope_Atom_Count	0
133679779	Total_Formal_Charge	0
18432	Molecular_Weight	337.2
10029970	Undefined_Atom_Stereo_Count	1
67938	Tautomer_Count	1
73154880	Defined_Bond_Stereo_Count	0
124823	Defined_Bond_Stereo_Count	0
667468	TPSA	12.5
57973135	Defined_Atom_Stereo_Count	3
6058	Structure_Complexity	10
13394149	Hydrogen_Bond_Acceptor_Count	8
91971505	Hydrogen_Bond_Acceptor_Count	14
22636790	XLogP3-AA	0
77807	Defined_Bond_Stereo_Count	0
23409	Mono_Isotopic_Weight	170.048012819
83656	Non-hydrogen_Atom_Count	23
3317081	Tautomer_Count	1
1438248	Non-hydrogen_Atom_Count	25
91694113	Undefined_Atom_Stereo_Count	2
15448870	Rotatable_Bond_Count	0
5702198	Tautomer_Count	1
3035569	Structure_Complexity	175
39764	Defined_Atom_Stereo_Count	10
61109	Tautomer_Count	1
57077234	Exact_Mass	112.088815002
36131	Non-hydrogen_Atom_Count	24
11368	TPSA	61.7
85588	Hydrogen_Bond_Donor_Count	0
10355488	XLogP3-AA	0.7
5362893	Defined_Atom_Stereo_Count	0
53290	Undefined_Atom_Stereo_Count	0
10594637	Molecular_Weight	359.5
22053930	Covalent_Unit_Count	1
33294	TPSA	60.8
37995	XLogP3-AA	3.2
23082568	Molecular_Weight	259.17
17834171	Molecular_Weight	101.15
24512	Hydrogen_Bond_Donor_Count	0
7674	Tautomer_Count	1
53346581	Undefined_Atom_Stereo_Count	0
16376	Hydrogen_Bond_Donor_Count	1
11819049	Hydrogen_Bond_Donor_Count	1
82468	Defined_Atom_Stereo_Count	0
3080825	Non-hydrogen_Atom_Count	14
11466	Hydrogen_Bond_Acceptor_Count	2
68624	Hydrogen_Bond_Acceptor_Count	8
67412	Hydrogen_Bond_Acceptor_Count	2
22486676	Defined_Atom_Stereo_Count	0
30479	Hydrogen_Bond_Acceptor_Count	5
11116293	Undefined_Bond_Stereo_Count	0
54245381	Structure_Complexity	59.5
5497195	Defined_Bond_Stereo_Count	1
534918	Isotope_Atom_Count	0
135749824	Defined_Atom_Stereo_Count	9
23236224	Rotatable_Bond_Count	0
45358084	Total_Formal_Charge	0
126843096	Defined_Atom_Stereo_Count	20
16690	TPSA	0
68289914	Isotope_Atom_Count	0
16212360	Defined_Bond_Stereo_Count	0
30107	Isotope_Atom_Count	0
85779440	Hydrogen_Bond_Donor_Count	0
98626	Non-hydrogen_Atom_Count	13
4983738	Defined_Atom_Stereo_Count	0
9918559	Molecular_Weight	477.5
20140	Tautomer_Count	3
6323336	Structure_Complexity	151
638132	Undefined_Atom_Stereo_Count	0
165598	Tautomer_Count	2
65792	Covalent_Unit_Count	1
197006	Molecular_Weight	449.7
6917839	Isotope_Atom_Count	0
71253	Mono_Isotopic_Weight	382.16747650
124389585	Covalent_Unit_Count	1
6957644	Hydrogen_Bond_Acceptor_Count	6
10660	Exact_Mass	469.1880675
49862768	XLogP3-AA	4.7
66071	Exact_Mass	88.100048391
55851	Defined_Atom_Stereo_Count	3
11670791	Defined_Bond_Stereo_Count	0
6051	Non-hydrogen_Atom_Count	15
85551668	Hydrogen_Bond_Acceptor_Count	4
101254315	Undefined_Atom_Stereo_Count	0
11661757	Structure_Complexity	529
38307	Structure_Complexity	87.2
60196284	Exact_Mass	451.3217074
9893	XLogP3	0.6
38464	Undefined_Bond_Stereo_Count	0
76008	Structure_Complexity	57.6
130026523	TPSA	17.1
16637	XLogP3-AA	0.9
6562	Isotope_Atom_Count	0
676242	TPSA	35.6
408763	Isotope_Atom_Count	0
13979010	Hydrogen_Bond_Donor_Count	1
91322204	XLogP3-AA	1.2
60840	Rotatable_Bond_Count	4
4659568	Covalent_Unit_Count	1
5288382	Defined_Atom_Stereo_Count	6
20157043	Hydrogen_Bond_Donor_Count	1
38988322	Total_Formal_Charge	0
11455910	XLogP3-AA	7.8
66908	Defined_Atom_Stereo_Count	0
89116579	Non-hydrogen_Atom_Count	8
9931156	Covalent_Unit_Count	1
690	Hydrogen_Bond_Acceptor_Count	3
4420	Hydrogen_Bond_Acceptor_Count	4
130443288	Mono_Isotopic_Weight	1201.84136802
8402	Exact_Mass	232.06703418
102428	Hydrogen_Bond_Acceptor_Count	4
162268759	Non-hydrogen_Atom_Count	6
57465453	XLogP3-AA	1
11332471	Molecular_Weight	128.09
546946	Hydrogen_Bond_Donor_Count	0
3795	Structure_Complexity	390
72518	Hydrogen_Bond_Donor_Count	5
8747	Molecular_Weight	321.70
2762785	Molecular_Weight	113.09
72064	Total_Formal_Charge	0
12986	Molecular_Weight	84.16
6409631	Covalent_Unit_Count	1
558206	Tautomer_Count	1
19130	Rotatable_Bond_Count	5
2209	Defined_Atom_Stereo_Count	0
39272	Tautomer_Count	1
63093	XLogP3	6.8
3033983	Isotope_Atom_Count	0
24757913	Mono_Isotopic_Weight	622.23173397
17754438	Undefined_Bond_Stereo_Count	0
44452442	TPSA	87.7
59503411	TPSA	110
5403	Defined_Bond_Stereo_Count	0
219020	Hydrogen_Bond_Acceptor_Count	3
448601	Molecular_Weight	1019.2
59392023	Hydrogen_Bond_Donor_Count	2
32048	Tautomer_Count	1
126843213	Hydrogen_Bond_Acceptor_Count	91
6327109	Hydrogen_Bond_Donor_Count	1
10750	Hydrogen_Bond_Donor_Count	4
8805	Rotatable_Bond_Count	3
46244453	Molecular_Weight	412.5
328397	Undefined_Bond_Stereo_Count	0
31060	Exact_Mass	409.0847635
117291	Rotatable_Bond_Count	16
15830	Molecular_Weight	139.15
101883476	Mono_Isotopic_Weight	364.22497412
134694358	Defined_Bond_Stereo_Count	0
9294	Structure_Complexity	121
3849	Isotope_Atom_Count	0
5282550	Non-hydrogen_Atom_Count	27
127150	TPSA	103
317681	Defined_Bond_Stereo_Count	0
5284557	Covalent_Unit_Count	1
4659570	Total_Formal_Charge	1
25202592	Mono_Isotopic_Weight	129.078978594
9303	TPSA	118
125468	Exact_Mass	100.052429494
6436082	Total_Formal_Charge	0
10253143	Non-hydrogen_Atom_Count	29
5781	Undefined_Bond_Stereo_Count	0
62963	Structure_Complexity	1340
85906	Total_Formal_Charge	0
135515430	Molecular_Weight	328.4
43994	Mono_Isotopic_Weight	242.0822054
7172	Mono_Isotopic_Weight	167.094628657
10001337	Undefined_Atom_Stereo_Count	0
56968128	Covalent_Unit_Count	1
84647602	Mono_Isotopic_Weight	97.052763847
154496967	Structure_Complexity	382
709430	Mono_Isotopic_Weight	267.09291458
101955	Exact_Mass	102.0086696
22645860	TPSA	38.1
33014	Isotope_Atom_Count	0
44119980	XLogP3-AA	7.5
68600	Undefined_Bond_Stereo_Count	0
343	Total_Formal_Charge	0
61680	TPSA	63.2
15558051	Undefined_Atom_Stereo_Count	0
122404566	XLogP3-AA	5.4
73829111	Structure_Complexity	82.2
135013065	Undefined_Bond_Stereo_Count	0
11306073	Undefined_Atom_Stereo_Count	0
6257	Structure_Complexity	246
90488866	Covalent_Unit_Count	4
601880	Non-hydrogen_Atom_Count	13
94403	Molecular_Weight	264.4
24154	Defined_Bond_Stereo_Count	0
123827359	Undefined_Atom_Stereo_Count	1
5459211	Undefined_Bond_Stereo_Count	0
3036864	Hydrogen_Bond_Donor_Count	1
12138	Molecular_Weight	212.29
13820629	Non-hydrogen_Atom_Count	8
7597	Molecular_Weight	214.22
71541188	Defined_Bond_Stereo_Count	0
5707	Defined_Bond_Stereo_Count	0
6186	Hydrogen_Bond_Donor_Count	1
994360	XLogP3-AA	3.4
5811	Undefined_Atom_Stereo_Count	0
69695	Non-hydrogen_Atom_Count	11
24228	Non-hydrogen_Atom_Count	22
3097	Total_Formal_Charge	0
73292	Tautomer_Count	3
63085159	XLogP3-AA	0.5
70678896	Hydrogen_Bond_Acceptor_Count	18
94034	Hydrogen_Bond_Donor_Count	1
27918	Mono_Isotopic_Weight	274.08711472
6918030	Defined_Bond_Stereo_Count	1
67406	Covalent_Unit_Count	1
73277	Hydrogen_Bond_Donor_Count	0
135565940	TPSA	66.8
24848283	Hydrogen_Bond_Acceptor_Count	5
141758021	Mono_Isotopic_Weight	112.052429494
325086	Rotatable_Bond_Count	1
17092	Undefined_Atom_Stereo_Count	0
139080230	Structure_Complexity	593
5324584	Isotope_Atom_Count	0
524213	Defined_Bond_Stereo_Count	0
13140195	Defined_Atom_Stereo_Count	0
7007	Tautomer_Count	1
24181110	Rotatable_Bond_Count	0
74746	Covalent_Unit_Count	1
408714	Structure_Complexity	352
170317	Isotope_Atom_Count	0
696	Defined_Atom_Stereo_Count	0
667449	XLogP3	2.9
70262	XLogP3-AA	1.3
609	Molecular_Weight	259.15
721137	Exact_Mass	292.0502366
11787114	Molecular_Weight	654.7
30085	Undefined_Atom_Stereo_Count	0
31005	Defined_Bond_Stereo_Count	0
439196	Isotope_Atom_Count	0
400772	XLogP3-AA	1.4
75690	Molecular_Weight	254.40
81480	Total_Formal_Charge	0
11482181	Hydrogen_Bond_Acceptor_Count	4
57871279	Non-hydrogen_Atom_Count	8
643203	Hydrogen_Bond_Donor_Count	0
19082215	XLogP3-AA	3.3
5258	Isotope_Atom_Count	0
1379	Defined_Bond_Stereo_Count	0
6433951	Tautomer_Count	3
11116543	Non-hydrogen_Atom_Count	12
139032508	Defined_Atom_Stereo_Count	0
36511	Molecular_Weight	1347.6
155032	Mono_Isotopic_Weight	407.0562682
57586319	Defined_Atom_Stereo_Count	0
55105	Non-hydrogen_Atom_Count	17
5462306	Exact_Mass	297.13649347
1976	Undefined_Bond_Stereo_Count	0
36405	Isotope_Atom_Count	0
123347622	Mono_Isotopic_Weight	97.089149355
458821	TPSA	92.5
20551532	Structure_Complexity	89.7
234808	Covalent_Unit_Count	1
656580	Mono_Isotopic_Weight	422.0283709
136444	Exact_Mass	102.068079557
11719407	Undefined_Atom_Stereo_Count	0
3898924	Hydrogen_Bond_Acceptor_Count	2
25099	Undefined_Bond_Stereo_Count	0
8060	Tautomer_Count	1
7822	Rotatable_Bond_Count	4
1315	Defined_Bond_Stereo_Count	0
3315	Molecular_Weight	872.9
153127831	Isotope_Atom_Count	0
136891	Structure_Complexity	127
82291	Mono_Isotopic_Weight	93.0345270
17586	TPSA	9.2
44134949	Defined_Atom_Stereo_Count	0
23675947	Non-hydrogen_Atom_Count	25
4055	Undefined_Bond_Stereo_Count	0
102366731	Rotatable_Bond_Count	3
90943885	Exact_Mass	110.109550447
10306	Tautomer_Count	1
57515	Molecular_Weight	599.5
94865124	Defined_Atom_Stereo_Count	16
4454009	Defined_Bond_Stereo_Count	0
1752534	Rotatable_Bond_Count	3
91825716	TPSA	66.4
5928432	Rotatable_Bond_Count	19
37631	Mono_Isotopic_Weight	179.094628657
3355	Non-hydrogen_Atom_Count	28
11194316	Defined_Bond_Stereo_Count	0
66624059	Covalent_Unit_Count	1
22836366	Exact_Mass	181.06966484
87100666	Defined_Bond_Stereo_Count	0
448718	Undefined_Atom_Stereo_Count	0
5460326	XLogP3-AA	2.3
66561	Undefined_Atom_Stereo_Count	0
86836	Undefined_Bond_Stereo_Count	1
4617	Structure_Complexity	468
6435378	Non-hydrogen_Atom_Count	26
13058242	Structure_Complexity	144
13973648	Exact_Mass	147.08954328
10171288	Isotope_Atom_Count	0
300765	Non-hydrogen_Atom_Count	18
1688	Mono_Isotopic_Weight	318.0326684
17429	Exact_Mass	113.084063974
2328	Mono_Isotopic_Weight	240.05686342
81391	Hydrogen_Bond_Acceptor_Count	4
25526	Covalent_Unit_Count	1
11073348	Hydrogen_Bond_Donor_Count	2
75606	TPSA	66.4
139591683	Total_Formal_Charge	0
59730586	XLogP3-AA	3
2129	Hydrogen_Bond_Donor_Count	2
3899541	XLogP3-AA	0.1
23131983	Isotope_Atom_Count	0
232443	Structure_Complexity	355
443074	Defined_Bond_Stereo_Count	0
12488467	Undefined_Bond_Stereo_Count	0
11040724	Non-hydrogen_Atom_Count	10
7904	Structure_Complexity	65.9
56033	TPSA	117
154196048	Hydrogen_Bond_Acceptor_Count	2
67683363	Total_Formal_Charge	0
59252	Undefined_Bond_Stereo_Count	0
23678802	Covalent_Unit_Count	2
672296	Hydrogen_Bond_Donor_Count	0
627867	Molecular_Weight	306.4
21276	Covalent_Unit_Count	1
71337442	Defined_Bond_Stereo_Count	0
9573395	Mono_Isotopic_Weight	645.23224432
517326	Undefined_Atom_Stereo_Count	0
67589	Defined_Atom_Stereo_Count	0
5312137	Total_Formal_Charge	0
11761	Molecular_Weight	182.13
51579	XLogP3	2.6
86248095	Hydrogen_Bond_Donor_Count	1
33874	Hydrogen_Bond_Donor_Count	2
7617	Tautomer_Count	1
75103	Structure_Complexity	24.7
108054	XLogP3-AA	1.2
69371	Hydrogen_Bond_Donor_Count	2
30131	Total_Formal_Charge	0
9860946	Mono_Isotopic_Weight	295.157228913
518727	Undefined_Bond_Stereo_Count	0
97065	TPSA	98.2
5357253	Non-hydrogen_Atom_Count	8
88983603	Exact_Mass	100.088815002
447029	Undefined_Bond_Stereo_Count	0
78420	XLogP3	2.4
14262	Hydrogen_Bond_Donor_Count	0
5238	Exact_Mass	149.89424
56661920	Undefined_Atom_Stereo_Count	0
9543528	Exact_Mass	160.09218630
7735	Molecular_Weight	144.21
46625	Undefined_Atom_Stereo_Count	0
71824	Molecular_Weight	128.22
5827	Defined_Atom_Stereo_Count	0
3007744	Undefined_Atom_Stereo_Count	0
5347	Undefined_Bond_Stereo_Count	1
24458	Rotatable_Bond_Count	0
8870	Undefined_Bond_Stereo_Count	0
447377	Mono_Isotopic_Weight	449.07873832
11412777	Hydrogen_Bond_Donor_Count	0
5986	Non-hydrogen_Atom_Count	28
49869312	Undefined_Bond_Stereo_Count	0
71756167	Defined_Atom_Stereo_Count	0
75654	Undefined_Bond_Stereo_Count	0
48	Molecular_Weight	145.11
71459165	Mono_Isotopic_Weight	292.16879665
63100	Mono_Isotopic_Weight	289.922361
73425158	Total_Formal_Charge	0
55290897	Mono_Isotopic_Weight	93.021463719
82336	Defined_Atom_Stereo_Count	0
15950086	Undefined_Bond_Stereo_Count	0
14129	Isotope_Atom_Count	0
44455012	Rotatable_Bond_Count	6
11548000	Defined_Atom_Stereo_Count	0
25011728	Molecular_Weight	419.8
65091	Tautomer_Count	3
114946	Exact_Mass	120.057514874
20980871	Exact_Mass	331.1161486
2771013	Rotatable_Bond_Count	1
17572160	Defined_Bond_Stereo_Count	9
7883	Rotatable_Bond_Count	2
5205	Isotope_Atom_Count	0
692352	Non-hydrogen_Atom_Count	19
56665390	Molecular_Weight	418.5
92886	Defined_Bond_Stereo_Count	0
688469	Isotope_Atom_Count	0
50397	XLogP3-AA	2
70280881	Structure_Complexity	241
101497	Undefined_Bond_Stereo_Count	0
79612800	XLogP3-AA	0.7
6291	XLogP3	4
306049	Exact_Mass	222.0811428
12451640	Defined_Bond_Stereo_Count	0
162268	Defined_Bond_Stereo_Count	0
146280151	Non-hydrogen_Atom_Count	8
443154	TPSA	196
30976	Mono_Isotopic_Weight	150.06539422
13521834	Undefined_Bond_Stereo_Count	0
146779553	Mono_Isotopic_Weight	108.093900383
339213	Exact_Mass	314.15180918
12057264	Non-hydrogen_Atom_Count	5
2734237	Defined_Atom_Stereo_Count	0
10115	Undefined_Bond_Stereo_Count	0
33845	Structure_Complexity	268
146679386	Hydrogen_Bond_Donor_Count	12
177085	Rotatable_Bond_Count	4
12263801	Defined_Bond_Stereo_Count	0
17412	Defined_Bond_Stereo_Count	0
445694	Hydrogen_Bond_Acceptor_Count	2
44595707	Covalent_Unit_Count	1
164075219	Exact_Mass	106.078250319
12688	Undefined_Bond_Stereo_Count	0
129653817	Non-hydrogen_Atom_Count	9
12839329	Defined_Atom_Stereo_Count	0
6450173	Undefined_Atom_Stereo_Count	0
18360	Undefined_Bond_Stereo_Count	0
148140	Molecular_Weight	161.20
23279304	Mono_Isotopic_Weight	113.058911855
18719616	Hydrogen_Bond_Acceptor_Count	3
4136	Defined_Bond_Stereo_Count	0
84148	Mono_Isotopic_Weight	112.063662883
68683	Covalent_Unit_Count	1
16757678	Molecular_Weight	288.4
57395267	XLogP3-AA	4.3
18999023	Rotatable_Bond_Count	1
135539121	Mono_Isotopic_Weight	516.16787042
586156	XLogP3-AA	0.1
439750	Hydrogen_Bond_Donor_Count	2
16760139	Defined_Bond_Stereo_Count	0
335	Defined_Bond_Stereo_Count	0
3438	XLogP3	0.4
16065391	Structure_Complexity	629
25418	Rotatable_Bond_Count	1
4068	Structure_Complexity	801
153812233	Structure_Complexity	68.5
6724	Isotope_Atom_Count	0
160244305	Mono_Isotopic_Weight	1201.84136802
63255	Rotatable_Bond_Count	3
17948845	Isotope_Atom_Count	0
15133384	Isotope_Atom_Count	0
67339181	Undefined_Bond_Stereo_Count	0
53920622	Defined_Bond_Stereo_Count	0
141831210	Covalent_Unit_Count	1
7881	Defined_Atom_Stereo_Count	0
135391180	Total_Formal_Charge	0
630355	Rotatable_Bond_Count	4
96886	Mono_Isotopic_Weight	181.06628286
135177	Hydrogen_Bond_Acceptor_Count	3
14189996	Mono_Isotopic_Weight	232.0654927
40146	Hydrogen_Bond_Donor_Count	1
4212	Mono_Isotopic_Weight	444.20088463
8855	Undefined_Bond_Stereo_Count	0
154169739	XLogP3-AA	2.3
16092139	XLogP3-AA	3.3
71171	Total_Formal_Charge	0
165363121	Non-hydrogen_Atom_Count	19
118946	Defined_Bond_Stereo_Count	0
12936856	Non-hydrogen_Atom_Count	7
20784557	Total_Formal_Charge	0
135408714	Defined_Atom_Stereo_Count	0
676030	Covalent_Unit_Count	1
57215030	Hydrogen_Bond_Acceptor_Count	1
5321950	XLogP3-AA	0.9
10138260	TPSA	107
9835049	Undefined_Atom_Stereo_Count	0
69722	XLogP3-AA	1.3
10942371	Hydrogen_Bond_Acceptor_Count	2
193846	Isotope_Atom_Count	0
70678557	Hydrogen_Bond_Donor_Count	78
8442	Undefined_Bond_Stereo_Count	0
42808	Rotatable_Bond_Count	1
220639	Mono_Isotopic_Weight	117.078978594
484651	Non-hydrogen_Atom_Count	80
5899	Structure_Complexity	268
69111	Covalent_Unit_Count	1
58750499	Defined_Atom_Stereo_Count	0
5413	Hydrogen_Bond_Acceptor_Count	0
8146	Undefined_Bond_Stereo_Count	0
102019	Tautomer_Count	2
64120439	Isotope_Atom_Count	0
46244259	Structure_Complexity	717
86302	XLogP3-AA	0.5
197127	Covalent_Unit_Count	1
123831	Defined_Atom_Stereo_Count	1
153921	Non-hydrogen_Atom_Count	30
445638	TPSA	37.3
14081616	Non-hydrogen_Atom_Count	8
350825	Undefined_Atom_Stereo_Count	0
11679800	XLogP3-AA	2.4
18687754	Defined_Bond_Stereo_Count	0
1609	Isotope_Atom_Count	0
47294	Rotatable_Bond_Count	3
5355856	Molecular_Weight	224.34
59217416	TPSA	38.9
104904	Total_Formal_Charge	0
131634423	Covalent_Unit_Count	3
121249	Rotatable_Bond_Count	4
153308419	Hydrogen_Bond_Acceptor_Count	3
129508	Rotatable_Bond_Count	5
5362124	Defined_Bond_Stereo_Count	0
114801	Mono_Isotopic_Weight	116.083729621
13062961	Hydrogen_Bond_Acceptor_Count	2
5365910	Tautomer_Count	1
5484735	Non-hydrogen_Atom_Count	34
19100566	TPSA	32.3
23599502	Defined_Bond_Stereo_Count	0
547064	Hydrogen_Bond_Donor_Count	0
26314	Mono_Isotopic_Weight	900.21723713
11565240	XLogP3-AA	1.2
131878633	Defined_Bond_Stereo_Count	0
13400658	Isotope_Atom_Count	0
87569740	Undefined_Atom_Stereo_Count	0
7411	Covalent_Unit_Count	1
27822	Isotope_Atom_Count	0
8573	XLogP3-AA	2.5
86220885	Structure_Complexity	24.8
618542	Hydrogen_Bond_Donor_Count	1
142852216	TPSA	29.5
71398	Non-hydrogen_Atom_Count	22
91747	XLogP3	3.9
5362124	Hydrogen_Bond_Acceptor_Count	6
36588	Covalent_Unit_Count	1
362	Total_Formal_Charge	0
11306	Undefined_Atom_Stereo_Count	0
12544552	Rotatable_Bond_Count	3
2779183	Molecular_Weight	248.0
80385	Total_Formal_Charge	0
84776	Tautomer_Count	1
129897177	Covalent_Unit_Count	2
457	Molecular_Weight	137.16
44353367	Mono_Isotopic_Weight	344.0119330
70260	Isotope_Atom_Count	0
637511	Mono_Isotopic_Weight	132.057514874
11988286	Defined_Bond_Stereo_Count	0
19078026	Exact_Mass	99.068413911
9797661	XLogP3-AA	3.7
12830097	Non-hydrogen_Atom_Count	17
13804	Exact_Mass	488.10733165
60768	TPSA	45.9
122672078	Molecular_Weight	112.17
424354	Covalent_Unit_Count	1
5284580	Covalent_Unit_Count	1
135484551	Total_Formal_Charge	0
453307	XLogP3-AA	1.6
92425	Hydrogen_Bond_Acceptor_Count	5
51003592	Hydrogen_Bond_Donor_Count	1
97931	Rotatable_Bond_Count	5
443423	Exact_Mass	286.13174244
6100	Exact_Mass	413.06603
21845248	Covalent_Unit_Count	1
3035240	Structure_Complexity	409
409438	Hydrogen_Bond_Donor_Count	1
16058	TPSA	62
38347	Structure_Complexity	253
6436158	Undefined_Bond_Stereo_Count	0
24978536	Defined_Atom_Stereo_Count	0
121922	Covalent_Unit_Count	1
55284853	Undefined_Bond_Stereo_Count	0
9846078	Undefined_Atom_Stereo_Count	0
11789162	Mono_Isotopic_Weight	112.088815002
529389	Covalent_Unit_Count	1
92703	Mono_Isotopic_Weight	374.0781827
9971980	Defined_Atom_Stereo_Count	0
45484135	Non-hydrogen_Atom_Count	35
88318	Mono_Isotopic_Weight	87.104799419
142403638	Defined_Atom_Stereo_Count	0
3033151	Defined_Bond_Stereo_Count	0
62655	Mono_Isotopic_Weight	237.88299787
10668	TPSA	59.7
14852454	TPSA	38
129800133	Total_Formal_Charge	0
71674	Molecular_Weight	1404.2
19385	Total_Formal_Charge	0
15072744	XLogP3-AA	3
6481	Non-hydrogen_Atom_Count	18
3609	Undefined_Bond_Stereo_Count	0
274427	Structure_Complexity	105
67249135	Structure_Complexity	712
95705	Mono_Isotopic_Weight	170.06914219
15805	Exact_Mass	461.2121570
5374274	Defined_Atom_Stereo_Count	0
4617	Rotatable_Bond_Count	1
129822315	Mono_Isotopic_Weight	203.983424
126479882	Hydrogen_Bond_Donor_Count	9
54758035	Hydrogen_Bond_Donor_Count	1
142882	Undefined_Atom_Stereo_Count	0
11145	XLogP3	3.8
134694358	Isotope_Atom_Count	0
5323976	Defined_Atom_Stereo_Count	0
2123	Mono_Isotopic_Weight	210.15929460
529264	TPSA	29.5
69413	Non-hydrogen_Atom_Count	7
28727	Structure_Complexity	237
21359	Isotope_Atom_Count	0
6435782	Rotatable_Bond_Count	7
53846420	XLogP3-AA	5.1
11840927	Mono_Isotopic_Weight	228.09324893
71458922	Covalent_Unit_Count	1
5343	Non-hydrogen_Atom_Count	19
55434	Undefined_Atom_Stereo_Count	1
75081	Defined_Bond_Stereo_Count	0
91003779	Hydrogen_Bond_Acceptor_Count	1
123161	Rotatable_Bond_Count	0
154240696	Defined_Atom_Stereo_Count	0
21932698	XLogP3-AA	3.8
705145	Rotatable_Bond_Count	6
149784	Hydrogen_Bond_Donor_Count	2
6537489	Total_Formal_Charge	0
10233356	Isotope_Atom_Count	0
25062766	Rotatable_Bond_Count	6
41351	Molecular_Weight	397.8
8705	Tautomer_Count	6
446308	Hydrogen_Bond_Acceptor_Count	4
11415	Total_Formal_Charge	0
10866282	Defined_Bond_Stereo_Count	0
447661	Defined_Bond_Stereo_Count	0
5328791	Rotatable_Bond_Count	2
14895679	Molecular_Weight	87.12
132274070	Rotatable_Bond_Count	11
138358	Hydrogen_Bond_Acceptor_Count	0
10614	XLogP3-AA	5.3
153816117	Molecular_Weight	113.11
164087	Isotope_Atom_Count	0
476	Hydrogen_Bond_Acceptor_Count	7
105426997	Total_Formal_Charge	0
29356	Undefined_Atom_Stereo_Count	0
344693	Exact_Mass	226.099379685
448055	Defined_Bond_Stereo_Count	0
23663404	Undefined_Atom_Stereo_Count	1
23345862	Total_Formal_Charge	0
58817179	TPSA	62.8
11418570	Tautomer_Count	1
18670	Rotatable_Bond_Count	22
100	Undefined_Bond_Stereo_Count	7
24963	Covalent_Unit_Count	3
89216	Total_Formal_Charge	0
2316	Defined_Atom_Stereo_Count	0
17909	Structure_Complexity	219
123070	Exact_Mass	20.0564071114
76118878	Structure_Complexity	127
13356397	Total_Formal_Charge	0
89076189	Total_Formal_Charge	0
9844747	Structure_Complexity	553
161032	Mono_Isotopic_Weight	130.04523611
4432	Hydrogen_Bond_Acceptor_Count	3
165676	Molecular_Weight	944.1
6433	Undefined_Bond_Stereo_Count	0
5748152	Molecular_Weight	324.4
85551668	Defined_Atom_Stereo_Count	0
699165	Undefined_Atom_Stereo_Count	0
66908038	Covalent_Unit_Count	1
18992283	Total_Formal_Charge	0
57820	Tautomer_Count	3
26346	XLogP3-AA	6.5
140286824	Defined_Bond_Stereo_Count	0
2752588	Defined_Bond_Stereo_Count	0
441921	Structure_Complexity	1700
13218779	Total_Formal_Charge	0
131428459	Rotatable_Bond_Count	1
10240761	Non-hydrogen_Atom_Count	6
19367743	Isotope_Atom_Count	0
57563	Hydrogen_Bond_Acceptor_Count	3
155259577	Molecular_Weight	512.4
147126464	Covalent_Unit_Count	1
138756126	Defined_Atom_Stereo_Count	2
68648	Undefined_Bond_Stereo_Count	0
57461868	Defined_Bond_Stereo_Count	0
6113	Undefined_Bond_Stereo_Count	0
24184393	Undefined_Bond_Stereo_Count	0
10271	TPSA	164
86233	Total_Formal_Charge	0
3246242	Non-hydrogen_Atom_Count	22
13570060	Covalent_Unit_Count	1
9854073	Structure_Complexity	1690
561193	Covalent_Unit_Count	1
28565	Hydrogen_Bond_Donor_Count	2
20912	TPSA	23.8
24706	Isotope_Atom_Count	0
11783895	Undefined_Bond_Stereo_Count	0
23676735	TPSA	77.4
164825	Molecular_Weight	534.4
19543	Isotope_Atom_Count	0
91195806	XLogP3-AA	2.1
67621	Structure_Complexity	209
28837	Molecular_Weight	334.1
12560918	Structure_Complexity	68.5
987917	Isotope_Atom_Count	0
132846	TPSA	21.3
10350561	Mono_Isotopic_Weight	841.44598505
79081	Structure_Complexity	52.1
86583	Hydrogen_Bond_Donor_Count	1
21635382	Exact_Mass	105.078978594
18430688	Exact_Mass	108.057514874
123168	Structure_Complexity	51.3
10154017	Molecular_Weight	103.16
43935	Total_Formal_Charge	0
6367080	Exact_Mass	406.14366705
381117	Undefined_Bond_Stereo_Count	0
102248370	Hydrogen_Bond_Acceptor_Count	4
35766	TPSA	272
28446	Molecular_Weight	165.24
71978	TPSA	277
9793723	Non-hydrogen_Atom_Count	8
45270144	Total_Formal_Charge	0
10986146	Structure_Complexity	2
51375035	Undefined_Atom_Stereo_Count	0
153274329	Covalent_Unit_Count	1
9962911	Hydrogen_Bond_Acceptor_Count	16
67374621	Covalent_Unit_Count	1
143196	Rotatable_Bond_Count	0
42552713	Exact_Mass	342.11621151
160796	Undefined_Atom_Stereo_Count	1
637927	Defined_Bond_Stereo_Count	1
2188	Undefined_Bond_Stereo_Count	0
446807	Defined_Bond_Stereo_Count	0
9574962	Isotope_Atom_Count	0
180288	Isotope_Atom_Count	0
69532978	Exact_Mass	115.063328530
57978852	Total_Formal_Charge	0
10110	XLogP3-AA	0.3
130659	Rotatable_Bond_Count	8
887830	Covalent_Unit_Count	1
129872	TPSA	6.5
53846427	Covalent_Unit_Count	1
55004	Rotatable_Bond_Count	0
2752445	Hydrogen_Bond_Acceptor_Count	1
25171876	Defined_Bond_Stereo_Count	0
532	Undefined_Atom_Stereo_Count	6
15942715	Hydrogen_Bond_Donor_Count	1
9940690	Mono_Isotopic_Weight	814.32592949
78973	Total_Formal_Charge	0
96387	Molecular_Weight	177.24
3251	Hydrogen_Bond_Acceptor_Count	6
73158666	Structure_Complexity	89.9
10276962	Structure_Complexity	531
3894573	Undefined_Atom_Stereo_Count	0
1338	Defined_Bond_Stereo_Count	0
56627	Undefined_Atom_Stereo_Count	1
9547919	Isotope_Atom_Count	0
5112454	Rotatable_Bond_Count	2
17755052	Non-hydrogen_Atom_Count	35
27879	Exact_Mass	303.14705815
11804893	Defined_Bond_Stereo_Count	0
5281072	Rotatable_Bond_Count	6
76969110	Mono_Isotopic_Weight	1140.59812858
130845868	Isotope_Atom_Count	0
105970	Structure_Complexity	393
69335004	Defined_Bond_Stereo_Count	0
88959085	Mono_Isotopic_Weight	114.031694049
83669972	Rotatable_Bond_Count	0
13576	XLogP3	3.6
626732	Defined_Atom_Stereo_Count	0
19338	XLogP3-AA	2.6
10307851	Mono_Isotopic_Weight	100.052429494
34055	Defined_Atom_Stereo_Count	0
61583	Non-hydrogen_Atom_Count	18
213056	Mono_Isotopic_Weight	185.06880783
11957707	Non-hydrogen_Atom_Count	23
6926378	Exact_Mass	168.102453689
24972597	Mono_Isotopic_Weight	113.084063974
53167	Exact_Mass	100.100048391
3162	Undefined_Bond_Stereo_Count	0
11546620	Exact_Mass	437.19507097
54570042	Mono_Isotopic_Weight	97.089149355
7563	Tautomer_Count	2
31295	Total_Formal_Charge	0
9823293	Defined_Bond_Stereo_Count	0
4498	Molecular_Weight	129.16
24434	Exact_Mass	100.95152435
13799	Covalent_Unit_Count	2
118984465	Molecular_Weight	749.9
10221470	Total_Formal_Charge	0
485	Defined_Bond_Stereo_Count	0
68675439	Hydrogen_Bond_Donor_Count	1
78521	Hydrogen_Bond_Donor_Count	3
325385	Hydrogen_Bond_Donor_Count	0
155448	TPSA	99.4
19104	Exact_Mass	335.188529040
107977	Structure_Complexity	110
564184	TPSA	47.6
321	Defined_Atom_Stereo_Count	0
6438394	Undefined_Bond_Stereo_Count	0
1486	Exact_Mass	219.9693994
135977933	Covalent_Unit_Count	1
5281672	Total_Formal_Charge	0
121207425	Total_Formal_Charge	0
13724272	Isotope_Atom_Count	0
123835510	Hydrogen_Bond_Acceptor_Count	3
55287187	Covalent_Unit_Count	1
44516953	TPSA	128
162014	Defined_Bond_Stereo_Count	0
139600236	Rotatable_Bond_Count	2
15570483	Total_Formal_Charge	0
41839	Structure_Complexity	449
87517	Isotope_Atom_Count	0
491830	Structure_Complexity	472
140449	Molecular_Weight	83.09
69588	Undefined_Bond_Stereo_Count	0
6435207	XLogP3-AA	1.3
24945227	Isotope_Atom_Count	0
82513	Hydrogen_Bond_Donor_Count	1
2318095	Isotope_Atom_Count	0
59372	Molecular_Weight	376.4
122236791	Hydrogen_Bond_Donor_Count	1
80837	Mono_Isotopic_Weight	706.13954689
540327	Exact_Mass	284.16237386
131740853	Exact_Mass	563.13188
9844833	Molecular_Weight	416.6
12059922	Exact_Mass	255.04840
5282176	Defined_Bond_Stereo_Count	3
7146288	XLogP3-AA	2.7
15144	XLogP3-AA	0.4
71517700	Isotope_Atom_Count	0
7899	Undefined_Atom_Stereo_Count	0
669846	Isotope_Atom_Count	0
8491	Hydrogen_Bond_Donor_Count	0
44266427	Mono_Isotopic_Weight	282.14672380
5665	Isotope_Atom_Count	0
60574	Structure_Complexity	326
10112	Covalent_Unit_Count	2
45479834	Non-hydrogen_Atom_Count	17
659840	TPSA	23.5
16028	Defined_Atom_Stereo_Count	0
10935908	Molecular_Weight	313.4
6433208	Undefined_Atom_Stereo_Count	0
11837140	Exact_Mass	260.94488788
11969781	TPSA	202
447569	Exact_Mass	131.058243149
19700	Total_Formal_Charge	0
6603820	TPSA	52.5
165664742	Structure_Complexity	124
53815669	Undefined_Atom_Stereo_Count	0
18522786	Exact_Mass	109.052763847
95763	Exact_Mass	245.0065981
53497429	Non-hydrogen_Atom_Count	40
21887748	Rotatable_Bond_Count	0
74041115	Molecular_Weight	96.17
443869	TPSA	114
155907178	Covalent_Unit_Count	3
3009	Exact_Mass	182.08668395
194774	Undefined_Atom_Stereo_Count	0
24848222	Molecular_Weight	367.5
65099	Rotatable_Bond_Count	1
1616	Non-hydrogen_Atom_Count	14
72712745	Undefined_Bond_Stereo_Count	0
9973799	Isotope_Atom_Count	0
29359	Undefined_Bond_Stereo_Count	0
23665763	Isotope_Atom_Count	0
584667	XLogP3-AA	3.9
10276115	Rotatable_Bond_Count	8
41377	Hydrogen_Bond_Acceptor_Count	1
5289247	Exact_Mass	257.02589765
11612	Total_Formal_Charge	0
19588	Molecular_Weight	207.27
10781	Defined_Atom_Stereo_Count	0
33294	Undefined_Atom_Stereo_Count	0
25975	Rotatable_Bond_Count	0
7173	Isotope_Atom_Count	0
101047267	Total_Formal_Charge	0
21356	Tautomer_Count	2
992	Total_Formal_Charge	0
71311389	Defined_Bond_Stereo_Count	0
130804992	Total_Formal_Charge	0
6324604	Mono_Isotopic_Weight	457.1880675
54434340	Undefined_Atom_Stereo_Count	0
44338979	Exact_Mass	498.13168558
1094	Tautomer_Count	1
317505	Molecular_Weight	310.4
42070	Isotope_Atom_Count	0
5223	Isotope_Atom_Count	0
68193	Rotatable_Bond_Count	1
11112	Undefined_Bond_Stereo_Count	0
72728690	Exact_Mass	97.052763847
153373905	Total_Formal_Charge	0
121540648	Undefined_Atom_Stereo_Count	0
23700091	Molecular_Weight	224.30
561780	XLogP3-AA	2.5
19602	Defined_Atom_Stereo_Count	0
23831	Undefined_Atom_Stereo_Count	0
40460	Tautomer_Count	5
12303662	Hydrogen_Bond_Donor_Count	1
2321	Non-hydrogen_Atom_Count	42
53232451	TPSA	102
5353422	Covalent_Unit_Count	1
194647	Hydrogen_Bond_Donor_Count	8
3209	Structure_Complexity	398
60496	Defined_Bond_Stereo_Count	0
61930	Isotope_Atom_Count	0
54266316	Hydrogen_Bond_Donor_Count	2
139062656	Total_Formal_Charge	0
135578046	TPSA	70.7
10964456	Structure_Complexity	103
135475930	Total_Formal_Charge	0
9601227	Tautomer_Count	3
23433606	Defined_Atom_Stereo_Count	0
85551668	Mono_Isotopic_Weight	117.042593085
24987	Tautomer_Count	1
5318517	Non-hydrogen_Atom_Count	25
123385940	Exact_Mass	110.073164938
21067	Undefined_Bond_Stereo_Count	0
4224596	XLogP3	2.3
231010	Molecular_Weight	263.29
7078557	Exact_Mass	410.24570956
5281167	Hydrogen_Bond_Acceptor_Count	1
1878	Structure_Complexity	666
10898017	Mono_Isotopic_Weight	768.19831894
6432434	Defined_Bond_Stereo_Count	1
90987052	XLogP3-AA	3.1
11393	Undefined_Atom_Stereo_Count	0
9800068	Total_Formal_Charge	0
118946	Isotope_Atom_Count	0
6951525	Defined_Bond_Stereo_Count	0
23545554	Isotope_Atom_Count	0
85916	Isotope_Atom_Count	0
82400	Rotatable_Bond_Count	5
13003	Isotope_Atom_Count	0
44531955	Covalent_Unit_Count	1
447153	Non-hydrogen_Atom_Count	10
5715107	Total_Formal_Charge	0
694876	Hydrogen_Bond_Acceptor_Count	3
21331354	Mono_Isotopic_Weight	115.063328530
20324725	TPSA	26.3
11346811	Exact_Mass	290.09364285
53883934	Molecular_Weight	112.17
65442	Tautomer_Count	1
4143	TPSA	104
27519	Covalent_Unit_Count	1
74262	Hydrogen_Bond_Donor_Count	0
11159486	Hydrogen_Bond_Acceptor_Count	3
53373584	Total_Formal_Charge	0
96261	XLogP3	3
20821294	Covalent_Unit_Count	1
54311720	Isotope_Atom_Count	0
31170	Rotatable_Bond_Count	0
135415564	Exact_Mass	846.44150881
49865963	Hydrogen_Bond_Donor_Count	4
107767	Tautomer_Count	1
87868	Defined_Bond_Stereo_Count	0
5672	Hydrogen_Bond_Donor_Count	2
124402108	Structure_Complexity	382
12400909	Structure_Complexity	157
9549326	Covalent_Unit_Count	1
44404643	Rotatable_Bond_Count	12
93771	Total_Formal_Charge	0
101989	Defined_Atom_Stereo_Count	7
40459111	Isotope_Atom_Count	0
53674625	Mono_Isotopic_Weight	114.042927438
742	Undefined_Atom_Stereo_Count	1
2296	TPSA	114
2296	Mono_Isotopic_Weight	491.20563565
6540277	Undefined_Bond_Stereo_Count	0
23675947	Structure_Complexity	437
26033	Hydrogen_Bond_Donor_Count	0
12651819	Non-hydrogen_Atom_Count	7
58460047	Isotope_Atom_Count	0
6432591	Hydrogen_Bond_Donor_Count	0
12225304	Undefined_Bond_Stereo_Count	0
135398561	Tautomer_Count	126
132236745	Molecular_Weight	112.17
22646212	Defined_Bond_Stereo_Count	0
80507	Defined_Atom_Stereo_Count	0
83645	Molecular_Weight	240.29
556172	Defined_Bond_Stereo_Count	0
17899	Hydrogen_Bond_Donor_Count	0
16412	Structure_Complexity	202
66602	Undefined_Bond_Stereo_Count	0
71415	Isotope_Atom_Count	0
48080	Molecular_Weight	419.9
16324	Molecular_Weight	128.17
65898	Tautomer_Count	10
24611	Hydrogen_Bond_Donor_Count	0
71305058	Molecular_Weight	421.3
3037261	Mono_Isotopic_Weight	233.05104977
9821383	Rotatable_Bond_Count	9
22833307	Covalent_Unit_Count	1
54130	Rotatable_Bond_Count	5
71225	Undefined_Bond_Stereo_Count	0
8699	Defined_Atom_Stereo_Count	0
102262612	Structure_Complexity	514
13973072	Total_Formal_Charge	0
447518	Exact_Mass	579.21343743
43859	Mono_Isotopic_Weight	390.0789499
108835	Exact_Mass	157.07389321
556248	Mono_Isotopic_Weight	108.093900383
14711688	Non-hydrogen_Atom_Count	8
15981386	Undefined_Atom_Stereo_Count	0
33802	TPSA	0
66986	Molecular_Weight	246.81
6102820	Undefined_Atom_Stereo_Count	0
12412266	Molecular_Weight	100.12
11982778	Defined_Bond_Stereo_Count	3
25222248	Exact_Mass	363.13292312
528407	Covalent_Unit_Count	1
13009	Defined_Bond_Stereo_Count	0
51644315	Molecular_Weight	123.99
445643	Hydrogen_Bond_Donor_Count	3
74989	Defined_Atom_Stereo_Count	0
19425	Mono_Isotopic_Weight	80.037448136
82741	Mono_Isotopic_Weight	133.110278721
135749824	Undefined_Atom_Stereo_Count	0
12302691	Total_Formal_Charge	0
5783	TPSA	37.3
6433101	XLogP3-AA	4.5
10201497	Undefined_Atom_Stereo_Count	0
10330791	Covalent_Unit_Count	1
12448	XLogP3-AA	3.7
16052038	Defined_Atom_Stereo_Count	9
24900942	XLogP3-AA	3.3
123359	Non-hydrogen_Atom_Count	2
160138	TPSA	40.5
16541	Undefined_Atom_Stereo_Count	0
54537	Undefined_Bond_Stereo_Count	0
1758	Structure_Complexity	356
16750192	Isotope_Atom_Count	0
242356	Non-hydrogen_Atom_Count	21
3037082	Non-hydrogen_Atom_Count	31
74353448	XLogP3-AA	2.9
12250	Defined_Atom_Stereo_Count	0
555192	Hydrogen_Bond_Donor_Count	2
8553	Undefined_Bond_Stereo_Count	0
21599	Undefined_Atom_Stereo_Count	0
1742210	Mono_Isotopic_Weight	220.182715385
22174896	Defined_Atom_Stereo_Count	0
57397288	Exact_Mass	526.27440453
16760285	Defined_Bond_Stereo_Count	0
69065	Exact_Mass	216.04225873
11297955	Rotatable_Bond_Count	1
3034394	Non-hydrogen_Atom_Count	21
157820065	Total_Formal_Charge	0
96405	Covalent_Unit_Count	1
147895	Defined_Bond_Stereo_Count	0
3229	Defined_Bond_Stereo_Count	0
71455485	Defined_Bond_Stereo_Count	0
81332758	Mono_Isotopic_Weight	111.068413911
89158693	Mono_Isotopic_Weight	110.073164938
398516	Exact_Mass	380.13069707
4017	Exact_Mass	1406.93370526
208911	Total_Formal_Charge	0
5188	Covalent_Unit_Count	1
16740	Hydrogen_Bond_Acceptor_Count	4
71315012	Defined_Bond_Stereo_Count	2
18314506	Non-hydrogen_Atom_Count	7
139079010	Mono_Isotopic_Weight	510.21144931
20253	Isotope_Atom_Count	0
57452	TPSA	32.3
5359423	Total_Formal_Charge	0
528	Non-hydrogen_Atom_Count	11
12622744	Rotatable_Bond_Count	3
156592059	Hydrogen_Bond_Donor_Count	8
9589	Rotatable_Bond_Count	1
3081361	Exact_Mass	474.10667
10972	Covalent_Unit_Count	1
19738571	Total_Formal_Charge	0
23378249	Non-hydrogen_Atom_Count	11
12698	Defined_Atom_Stereo_Count	0
135532964	Exact_Mass	97.027611728
9248	Tautomer_Count	1
73211	Covalent_Unit_Count	1
163829	Tautomer_Count	1001
22349965	Undefined_Atom_Stereo_Count	0
522693	Defined_Bond_Stereo_Count	0
56962313	Mono_Isotopic_Weight	443.19573968
65287	Structure_Complexity	215
68081	Mono_Isotopic_Weight	270.08920892
10890565	Structure_Complexity	288
95258	Covalent_Unit_Count	1
20172	Isotope_Atom_Count	0
11640390	Covalent_Unit_Count	1
12394845	Undefined_Atom_Stereo_Count	1
10993	TPSA	20.2
31418	Defined_Atom_Stereo_Count	0
71456042	Undefined_Atom_Stereo_Count	0
5361918	Molecular_Weight	356.4
129669019	Undefined_Bond_Stereo_Count	0
11619220	Isotope_Atom_Count	0
25271790	Hydrogen_Bond_Acceptor_Count	5
36084	Undefined_Atom_Stereo_Count	0
49865919	Undefined_Atom_Stereo_Count	0
131287	Undefined_Atom_Stereo_Count	0
25271790	XLogP3	0.7
6328154	Defined_Atom_Stereo_Count	0
70682976	Undefined_Atom_Stereo_Count	0
100940066	Undefined_Bond_Stereo_Count	0
11214	Molecular_Weight	548.7
86171381	Structure_Complexity	113
6371	Hydrogen_Bond_Acceptor_Count	1
963	Structure_Complexity	1660
24729360	Defined_Atom_Stereo_Count	4
8667	Hydrogen_Bond_Donor_Count	1
32804	Covalent_Unit_Count	1
101526	Undefined_Atom_Stereo_Count	0
24827	Mono_Isotopic_Weight	130.062994177
57823090	Undefined_Atom_Stereo_Count	0
18624855	Covalent_Unit_Count	1
633097	Rotatable_Bond_Count	2
9863827	Total_Formal_Charge	0
9191	XLogP3-AA	3.4
310360	Mono_Isotopic_Weight	309.05834059
71384614	TPSA	66.8
156598427	Defined_Atom_Stereo_Count	0
3851247	Hydrogen_Bond_Acceptor_Count	12
5459861	Structure_Complexity	176
11940	Defined_Atom_Stereo_Count	0
12315192	TPSA	120
129873330	Covalent_Unit_Count	1
69762	Covalent_Unit_Count	1
449093	Rotatable_Bond_Count	4
201652	Non-hydrogen_Atom_Count	13
5498	Defined_Atom_Stereo_Count	0
90753032	TPSA	190
161272	Isotope_Atom_Count	0
14907580	XLogP3-AA	0.6
13015	Mono_Isotopic_Weight	137.0032268
18173271	Isotope_Atom_Count	0
97127	Defined_Atom_Stereo_Count	0
14063315	Hydrogen_Bond_Donor_Count	0
11051686	Isotope_Atom_Count	0
40472	Molecular_Weight	395.3
135565903	Rotatable_Bond_Count	2
87592747	XLogP3-AA	0.6
8763	Rotatable_Bond_Count	11
64862	Defined_Bond_Stereo_Count	0
102402986	Defined_Atom_Stereo_Count	0
75842	Rotatable_Bond_Count	5
117072357	TPSA	231
21264915	Undefined_Bond_Stereo_Count	0
11564168	Defined_Bond_Stereo_Count	0
56841603	Total_Formal_Charge	0
9141	Total_Formal_Charge	0
405908	Exact_Mass	207.04663309
128882	Mono_Isotopic_Weight	506.99574658
10784	Mono_Isotopic_Weight	219.93851
18946	Defined_Atom_Stereo_Count	0
12647151	Exact_Mass	132.04225873
85821	Hydrogen_Bond_Acceptor_Count	2
78228	Defined_Atom_Stereo_Count	0
22320	Isotope_Atom_Count	0
16318	XLogP3	8.3
27531	XLogP3-AA	2.1
11469055	Undefined_Bond_Stereo_Count	0
129859529	TPSA	20.3
5962	Covalent_Unit_Count	1
547686	Undefined_Atom_Stereo_Count	0
11809740	Undefined_Atom_Stereo_Count	0
70265544	XLogP3-AA	1.2
53322797	Defined_Bond_Stereo_Count	0
304497	TPSA	87
68022407	Defined_Atom_Stereo_Count	0
12487261	Exact_Mass	116.047344113
8285	Non-hydrogen_Atom_Count	9
22311	Hydrogen_Bond_Donor_Count	0
260495	Hydrogen_Bond_Acceptor_Count	2
118210311	Exact_Mass	110.011627311
80875	Non-hydrogen_Atom_Count	36
9883149	Molecular_Weight	310.30
62321	Molecular_Weight	224.34
45073437	Exact_Mass	310.936458
647840	Hydrogen_Bond_Acceptor_Count	6
30489	TPSA	3.2
7997	Total_Formal_Charge	0
71834	Mono_Isotopic_Weight	360.0061961
69391	Defined_Bond_Stereo_Count	0
54687420	Molecular_Weight	249.19
11313946	Hydrogen_Bond_Acceptor_Count	4
14457	Non-hydrogen_Atom_Count	15
14337609	XLogP3-AA	0.9
75421	Undefined_Bond_Stereo_Count	0
18733	Total_Formal_Charge	1
194622	Hydrogen_Bond_Acceptor_Count	5
11286230	Hydrogen_Bond_Donor_Count	12
363272	Non-hydrogen_Atom_Count	23
12630477	Isotope_Atom_Count	0
73398	Hydrogen_Bond_Donor_Count	2
54493962	Total_Formal_Charge	0
6818	Molecular_Weight	334.4
57784275	Molecular_Weight	96.09
56928061	Hydrogen_Bond_Donor_Count	11
21583	Defined_Atom_Stereo_Count	0
529	Covalent_Unit_Count	1
57247629	Isotope_Atom_Count	0
59270	Molecular_Weight	402.3
968645	Undefined_Atom_Stereo_Count	0
18506396	Non-hydrogen_Atom_Count	8
25117126	Mono_Isotopic_Weight	510.14094222
25474	Total_Formal_Charge	0
17811	Undefined_Bond_Stereo_Count	0
9884029	Undefined_Bond_Stereo_Count	0
167297	Undefined_Atom_Stereo_Count	2
54149606	Defined_Bond_Stereo_Count	0
5324585	Total_Formal_Charge	0
73441	Covalent_Unit_Count	1
7348	Total_Formal_Charge	0
31315	Covalent_Unit_Count	1
56834575	Molecular_Weight	465.5
75640	Defined_Atom_Stereo_Count	0
95187	Undefined_Atom_Stereo_Count	0
5281650	Defined_Bond_Stereo_Count	0
798232	Hydrogen_Bond_Acceptor_Count	3
67420901	Undefined_Bond_Stereo_Count	0
156465	Tautomer_Count	423
13619	Exact_Mass	195.924948
6328035	Isotope_Atom_Count	0
20807398	Rotatable_Bond_Count	20
8689	Hydrogen_Bond_Acceptor_Count	3
66053	Mono_Isotopic_Weight	88.100048391
231040	Undefined_Bond_Stereo_Count	0
101641111	Undefined_Bond_Stereo_Count	0
3532561	Undefined_Bond_Stereo_Count	0
23448613	Undefined_Atom_Stereo_Count	0
9823293	Isotope_Atom_Count	0
107915	Tautomer_Count	1
134735	TPSA	9.2
63179	Exact_Mass	513.21647512
23307900	Defined_Bond_Stereo_Count	0
127030167	Structure_Complexity	1980
109198	Molecular_Weight	485.7
79098	Isotope_Atom_Count	0
143291	Hydrogen_Bond_Donor_Count	2
5362417	Covalent_Unit_Count	1
10130270	Non-hydrogen_Atom_Count	14
421	Mono_Isotopic_Weight	208.05917210
89416	Hydrogen_Bond_Acceptor_Count	1
6392641	Exact_Mass	824.368622
53435160	XLogP3-AA	0.2
60606	Undefined_Bond_Stereo_Count	0
67435898	Total_Formal_Charge	0
12654270	Structure_Complexity	101
10920463	Isotope_Atom_Count	0
15258936	Mono_Isotopic_Weight	283.08445790
21908889	Defined_Atom_Stereo_Count	0
11673085	Defined_Atom_Stereo_Count	1
21864164	Defined_Bond_Stereo_Count	0
21895922	TPSA	0
142738	Molecular_Weight	108.18
441979	Mono_Isotopic_Weight	348.14739250
23666879	Undefined_Bond_Stereo_Count	0
904857	Non-hydrogen_Atom_Count	16
818256	Defined_Bond_Stereo_Count	0
9873570	Molecular_Weight	323.5
167305	Defined_Bond_Stereo_Count	0
10689555	Isotope_Atom_Count	0
24211992	Covalent_Unit_Count	1
131430882	Defined_Bond_Stereo_Count	0
53465279	Undefined_Atom_Stereo_Count	0
123226	Molecular_Weight	142.11
53684795	Defined_Bond_Stereo_Count	0
49243	TPSA	101
851990	Undefined_Atom_Stereo_Count	0
119119	Undefined_Bond_Stereo_Count	0
89229710	Isotope_Atom_Count	0
90761	Hydrogen_Bond_Donor_Count	0
21973779	Undefined_Bond_Stereo_Count	0
129680036	Hydrogen_Bond_Acceptor_Count	1
15817396	Non-hydrogen_Atom_Count	8
8672	Total_Formal_Charge	0
34633	Covalent_Unit_Count	1
587311	Rotatable_Bond_Count	2
12502857	TPSA	23.8
46835725	Exact_Mass	87.068413911
6917733	Rotatable_Bond_Count	14
448903	Defined_Bond_Stereo_Count	0
20583864	Non-hydrogen_Atom_Count	8
10220256	Hydrogen_Bond_Acceptor_Count	3
13474789	Defined_Atom_Stereo_Count	0
8944	Mono_Isotopic_Weight	352.215078140
903755	Undefined_Bond_Stereo_Count	0
54170005	Undefined_Bond_Stereo_Count	1
22175537	Defined_Bond_Stereo_Count	0
5459319	Exact_Mass	525.24750046
6426773	TPSA	136
506015	TPSA	122
6410734	Non-hydrogen_Atom_Count	24
54126628	Defined_Atom_Stereo_Count	0
73887162	Total_Formal_Charge	0
161664	Structure_Complexity	411
139243814	Exact_Mass	80.053659862
9799888	Defined_Atom_Stereo_Count	0
26462	Defined_Bond_Stereo_Count	0
106824195	Undefined_Bond_Stereo_Count	0
12817963	Hydrogen_Bond_Donor_Count	1
126970648	Total_Formal_Charge	0
58436	Total_Formal_Charge	0
64247	Undefined_Atom_Stereo_Count	0
12435	Defined_Atom_Stereo_Count	0
6168933	Hydrogen_Bond_Acceptor_Count	8
5312830	Hydrogen_Bond_Acceptor_Count	3
31386	XLogP3	2.4
4368	XLogP3-AA	2.2
4872633	Isotope_Atom_Count	0
17754772	Non-hydrogen_Atom_Count	23
87186939	Exact_Mass	113.022526347
44565778	Defined_Atom_Stereo_Count	0
413457	Hydrogen_Bond_Donor_Count	3
3389	Hydrogen_Bond_Donor_Count	0
12560918	Mono_Isotopic_Weight	100.052429494
2779024	XLogP3-AA	0.7
444539	XLogP3	2.1
375	Rotatable_Bond_Count	31
23673461	Isotope_Atom_Count	0
72199624	Structure_Complexity	642
22856	Defined_Atom_Stereo_Count	0
36565	Defined_Atom_Stereo_Count	0
4359	Undefined_Atom_Stereo_Count	0
54742254	Tautomer_Count	26
704225	Undefined_Atom_Stereo_Count	0
58492	Isotope_Atom_Count	0
14527402	Non-hydrogen_Atom_Count	8
24621	Rotatable_Bond_Count	0
76469	Structure_Complexity	250
3081561	Exact_Mass	1679.5653479
10246701	Mono_Isotopic_Weight	341.17394160
268488	Hydrogen_Bond_Donor_Count	3
13333	Molecular_Weight	358.4
6432437	XLogP3-AA	1.2
5361	Hydrogen_Bond_Donor_Count	12
220	Structure_Complexity	234
22565	Mono_Isotopic_Weight	296.188863393
15037	Defined_Atom_Stereo_Count	0
137747	Covalent_Unit_Count	1
11137094	Mono_Isotopic_Weight	94.078250319
360154	Isotope_Atom_Count	0
23264402	Exact_Mass	110.073164938
15025	Hydrogen_Bond_Acceptor_Count	14
203329	Undefined_Atom_Stereo_Count	0
6435068	Structure_Complexity	574
107952	Rotatable_Bond_Count	11
13785328	Hydrogen_Bond_Acceptor_Count	5
58544	Isotope_Atom_Count	0
524236	Structure_Complexity	70.8
10271170	Total_Formal_Charge	0
49607	Non-hydrogen_Atom_Count	15
91270	Hydrogen_Bond_Acceptor_Count	8
8323	Tautomer_Count	12
4695	Undefined_Bond_Stereo_Count	0
309734	Hydrogen_Bond_Donor_Count	1
6918584	Molecular_Weight	2178.0
2130404	Covalent_Unit_Count	1
14712340	Isotope_Atom_Count	0
22563	Undefined_Bond_Stereo_Count	0
92279	Total_Formal_Charge	0
5256574	Mono_Isotopic_Weight	152.01903862
20485906	Undefined_Bond_Stereo_Count	0
26430	Molecular_Weight	344.5
102601177	Covalent_Unit_Count	1
243415	Defined_Bond_Stereo_Count	0
71304	Isotope_Atom_Count	0
28697	Molecular_Weight	226.4
234818	Exact_Mass	309.172878976
53694476	Defined_Bond_Stereo_Count	0
14842942	Molecular_Weight	204.06
516893	Exact_Mass	99.95627537
21779240	Non-hydrogen_Atom_Count	22
32142	Tautomer_Count	1
20495	Tautomer_Count	2
533866	Undefined_Atom_Stereo_Count	0
48368	Isotope_Atom_Count	0
95162564	Non-hydrogen_Atom_Count	23
46708292	Non-hydrogen_Atom_Count	20
6328534	Defined_Atom_Stereo_Count	0
3773593	Defined_Atom_Stereo_Count	0
71234	Rotatable_Bond_Count	5
44310721	XLogP3-AA	1.3
5370221	Rotatable_Bond_Count	5
4332	Rotatable_Bond_Count	13
5352133	Tautomer_Count	3
6842999	Undefined_Atom_Stereo_Count	1
51049968	Hydrogen_Bond_Donor_Count	2
56841794	Defined_Bond_Stereo_Count	0
718449	XLogP3-AA	1.8
6420039	Non-hydrogen_Atom_Count	21
3045335	Mono_Isotopic_Weight	492.2391000
116842112	Molecular_Weight	109.17
44392111	Exact_Mass	485.26784199
31204	Structure_Complexity	316
5281609	Undefined_Atom_Stereo_Count	0
5282483	Exact_Mass	506.1173245
139149	Hydrogen_Bond_Acceptor_Count	0
1684	XLogP3-AA	4.6
20583864	Defined_Atom_Stereo_Count	0
18555	Total_Formal_Charge	0
94744	Defined_Atom_Stereo_Count	0
6858	Hydrogen_Bond_Donor_Count	0
121135	Total_Formal_Charge	0
3068143	Structure_Complexity	679
71334656	Covalent_Unit_Count	1
108051	Isotope_Atom_Count	0
136090	Mono_Isotopic_Weight	104.062600255
169109	Defined_Atom_Stereo_Count	0
78468	TPSA	52.6
122214038	Total_Formal_Charge	0
9818306	XLogP3	2.8
83805	TPSA	124
15568242	Molecular_Weight	118.20
201828	Exact_Mass	213.115364102
22934413	Covalent_Unit_Count	1
1241301	Total_Formal_Charge	0
11970126	Total_Formal_Charge	0
550942	Undefined_Bond_Stereo_Count	0
9868950	Molecular_Weight	425.6
13037933	Total_Formal_Charge	0
23991	Mono_Isotopic_Weight	131.90415508
8130	XLogP3	2.3
25014810	Covalent_Unit_Count	1
9933197	Defined_Atom_Stereo_Count	0
2212	Exact_Mass	609.35263424
78490	Undefined_Bond_Stereo_Count	0
17787271	Undefined_Bond_Stereo_Count	0
97135	Defined_Bond_Stereo_Count	0
1728	Molecular_Weight	344.4
213043	Undefined_Atom_Stereo_Count	1
879	Defined_Atom_Stereo_Count	0
10499446	Covalent_Unit_Count	1
67240553	Defined_Atom_Stereo_Count	0
12213589	Rotatable_Bond_Count	3
129627802	XLogP3-AA	2.1
631779	Defined_Bond_Stereo_Count	0
2412	Non-hydrogen_Atom_Count	98
16666	XLogP3-AA	3
665263	Defined_Bond_Stereo_Count	0
18542107	Undefined_Atom_Stereo_Count	0
188206	Defined_Bond_Stereo_Count	0
77050446	TPSA	32.6
20524	Exact_Mass	118.099379685
442966	Covalent_Unit_Count	1
154689	XLogP3-AA	2.9
137474475	Covalent_Unit_Count	1
163853278	XLogP3-AA	0.7
443067	Defined_Atom_Stereo_Count	1
37993	Tautomer_Count	1
12079	Isotope_Atom_Count	0
11105340	Defined_Bond_Stereo_Count	0
13220	Molecular_Weight	155.24
117926	Mono_Isotopic_Weight	115.99320054
8775	Isotope_Atom_Count	0
81669	Non-hydrogen_Atom_Count	8
6602383	Defined_Atom_Stereo_Count	5
123171678	Isotope_Atom_Count	0
516806	TPSA	242
306211	Hydrogen_Bond_Acceptor_Count	3
5475462	Isotope_Atom_Count	0
11073365	Total_Formal_Charge	0
611967	Isotope_Atom_Count	0
5486198	Non-hydrogen_Atom_Count	17
3033984	Hydrogen_Bond_Donor_Count	1
137018	Tautomer_Count	1
25077993	Molecular_Weight	1323.5
101316977	Undefined_Bond_Stereo_Count	0
93550	Molecular_Weight	273.28
129317940	Defined_Atom_Stereo_Count	1
14050	TPSA	66.8
52654	Non-hydrogen_Atom_Count	18
91394869	Defined_Bond_Stereo_Count	0
450601	Hydrogen_Bond_Acceptor_Count	4
129627537	Structure_Complexity	3150
42802	Defined_Atom_Stereo_Count	0
57335384	Undefined_Atom_Stereo_Count	0
167	Undefined_Bond_Stereo_Count	0
119606	Rotatable_Bond_Count	5
7152	Molecular_Weight	177.16
70687386	Covalent_Unit_Count	1
132276561	Hydrogen_Bond_Acceptor_Count	12
76335	Exact_Mass	100.088815002
57825229	Non-hydrogen_Atom_Count	26
6993950	Isotope_Atom_Count	0
22833295	TPSA	149
108157	Molecular_Weight	524.7
11500877	Defined_Atom_Stereo_Count	0
25094630	Covalent_Unit_Count	1
58657603	Undefined_Atom_Stereo_Count	0
91750	Hydrogen_Bond_Donor_Count	2
16667503	Isotope_Atom_Count	0
11954310	Rotatable_Bond_Count	11
9841075	Hydrogen_Bond_Acceptor_Count	4
19045124	Undefined_Bond_Stereo_Count	0
3843	Exact_Mass	495.17942091
12041	Isotope_Atom_Count	0
59799570	Non-hydrogen_Atom_Count	25
59908032	Undefined_Bond_Stereo_Count	0
18381089	Undefined_Atom_Stereo_Count	0
135403657	Mono_Isotopic_Weight	522.00664561
5324584	XLogP3-AA	1.4
3249988	Rotatable_Bond_Count	2
75879	Undefined_Bond_Stereo_Count	0
17473	Hydrogen_Bond_Acceptor_Count	18
706529	Defined_Bond_Stereo_Count	0
71587119	Structure_Complexity	165
441393	Hydrogen_Bond_Acceptor_Count	14
6447131	Hydrogen_Bond_Donor_Count	2
143321	TPSA	0
10301	Hydrogen_Bond_Acceptor_Count	2
344693	TPSA	37.3
56680337	Hydrogen_Bond_Acceptor_Count	8
9229	Total_Formal_Charge	0
11586912	TPSA	114
122077	Total_Formal_Charge	0
135882	Molecular_Weight	249.39
155346	Hydrogen_Bond_Acceptor_Count	4
164511488	Hydrogen_Bond_Donor_Count	4
26204	Hydrogen_Bond_Acceptor_Count	2
22477643	Hydrogen_Bond_Donor_Count	1
65223	TPSA	124
53710320	TPSA	56.2
40468	Defined_Bond_Stereo_Count	0
71583049	TPSA	113
111804	Rotatable_Bond_Count	4
25106	Undefined_Bond_Stereo_Count	0
121271792	Molecular_Weight	386.4
11309477	Defined_Atom_Stereo_Count	0
13166770	Non-hydrogen_Atom_Count	8
11561779	Rotatable_Bond_Count	9
451187	Undefined_Bond_Stereo_Count	0
59450	Exact_Mass	368.23380221
63624	TPSA	90.8
16760227	Hydrogen_Bond_Acceptor_Count	7
134056	Molecular_Weight	298.4
9865223	Total_Formal_Charge	0
11969781	Rotatable_Bond_Count	7
520913	Non-hydrogen_Atom_Count	7
11149862	Structure_Complexity	332
146396	Hydrogen_Bond_Acceptor_Count	5
23675242	Covalent_Unit_Count	2
706	Defined_Bond_Stereo_Count	0
4293	Exact_Mass	337.95234150
17756737	Isotope_Atom_Count	0
59277772	Undefined_Bond_Stereo_Count	0
68805	Isotope_Atom_Count	0
6977135	Total_Formal_Charge	0
124809078	Isotope_Atom_Count	0
10499446	TPSA	72.5
85742	Non-hydrogen_Atom_Count	32
71358911	Hydrogen_Bond_Donor_Count	0
55652	Mono_Isotopic_Weight	424.1684336
20279	Rotatable_Bond_Count	2
89053264	TPSA	26
138114158	Rotatable_Bond_Count	6
95542	Total_Formal_Charge	0
4145140	TPSA	63.3
5775	Exact_Mass	281.152812238
24762165	Covalent_Unit_Count	1
9989264	Defined_Bond_Stereo_Count	0
673	Hydrogen_Bond_Donor_Count	1
693318	Structure_Complexity	251
71311215	Isotope_Atom_Count	0
5326960	Isotope_Atom_Count	0
196651	Non-hydrogen_Atom_Count	19
13562	Molecular_Weight	103.12
69342090	Total_Formal_Charge	0
54758501	Structure_Complexity	712
41634	Mono_Isotopic_Weight	337.0239443
1549073	Defined_Bond_Stereo_Count	0
90495	Total_Formal_Charge	0
11711078	Non-hydrogen_Atom_Count	26
675533	Exact_Mass	283.09569129
31423	Rotatable_Bond_Count	0
296464	Defined_Bond_Stereo_Count	0
5288193	Undefined_Bond_Stereo_Count	0
21823262	Non-hydrogen_Atom_Count	6
21356	Molecular_Weight	204.01
71301276	Rotatable_Bond_Count	2
567743	Hydrogen_Bond_Acceptor_Count	3
9010	Hydrogen_Bond_Acceptor_Count	9
749	Exact_Mass	434.23113938
11349389	Isotope_Atom_Count	0
96420	Exact_Mass	165.090211983
2723733	TPSA	200
126569786	Structure_Complexity	2330
122077	Non-hydrogen_Atom_Count	28
2083	Isotope_Atom_Count	0
4306127	Defined_Bond_Stereo_Count	0
121313292	TPSA	9.2
67241466	Total_Formal_Charge	0
9895	Isotope_Atom_Count	0
75714	Non-hydrogen_Atom_Count	8
6437358	Undefined_Atom_Stereo_Count	0
667684	Structure_Complexity	247
535110	Mono_Isotopic_Weight	98.073164938
76609483	Hydrogen_Bond_Acceptor_Count	3
156693217	Undefined_Atom_Stereo_Count	1
29656	Hydrogen_Bond_Acceptor_Count	1
71777	Undefined_Bond_Stereo_Count	0
5107	Non-hydrogen_Atom_Count	34
54576693	Exact_Mass	410.0957244
10176241	Hydrogen_Bond_Donor_Count	2
15710945	Undefined_Bond_Stereo_Count	0
117891679	Rotatable_Bond_Count	1
154724068	Undefined_Bond_Stereo_Count	0
53315792	Hydrogen_Bond_Donor_Count	6
18921450	Total_Formal_Charge	0
163872483	Isotope_Atom_Count	0
92751	Structure_Complexity	490
85979179	Exact_Mass	83.037113783
6436605	Molecular_Weight	326.2
6444834	Defined_Bond_Stereo_Count	2
23670844	Exact_Mass	267.96536795
422478	Mono_Isotopic_Weight	119.073499291
13078198	Covalent_Unit_Count	1
853561	Hydrogen_Bond_Donor_Count	0
57396213	Undefined_Atom_Stereo_Count	0
21831691	Undefined_Bond_Stereo_Count	0
139134	Isotope_Atom_Count	0
65050	Tautomer_Count	3
160430	Total_Formal_Charge	0
118796997	Undefined_Bond_Stereo_Count	0
131954763	Hydrogen_Bond_Acceptor_Count	4
104428	Rotatable_Bond_Count	6
6708461	Hydrogen_Bond_Acceptor_Count	16
60196286	Undefined_Atom_Stereo_Count	0
159603835	Non-hydrogen_Atom_Count	8
197883	TPSA	76.6
2161	Covalent_Unit_Count	1
84647615	Hydrogen_Bond_Acceptor_Count	3
527	Undefined_Bond_Stereo_Count	0
616573	Mono_Isotopic_Weight	235.110947427
135408752	Mono_Isotopic_Weight	440.07905542
16733194	Hydrogen_Bond_Donor_Count	2
50993881	Molecular_Weight	433.9
76441	Undefined_Bond_Stereo_Count	0
90853172	Mono_Isotopic_Weight	112.125200510
135738851	TPSA	231
26662	Defined_Bond_Stereo_Count	0
12478167	Rotatable_Bond_Count	2
17480032	Structure_Complexity	313
12502857	Undefined_Atom_Stereo_Count	0
10899282	TPSA	110
18506387	Defined_Bond_Stereo_Count	0
2331	Exact_Mass	121.052763847
54058074	Undefined_Atom_Stereo_Count	0
19738571	Non-hydrogen_Atom_Count	7
544596	Total_Formal_Charge	0
281459	Structure_Complexity	136
13584912	Non-hydrogen_Atom_Count	15
44578616	Isotope_Atom_Count	0
377	Defined_Bond_Stereo_Count	0
134812007	Isotope_Atom_Count	0
5362	Hydrogen_Bond_Acceptor_Count	6
454	Tautomer_Count	2
132274082	TPSA	279
421610	Rotatable_Bond_Count	7
164930	TPSA	17.1
24268	TPSA	62.9
60196385	Defined_Atom_Stereo_Count	0
6446980	XLogP3-AA	4.1
53956290	XLogP3-AA	3
3337	Covalent_Unit_Count	1
81415695	Structure_Complexity	107
61124202	Structure_Complexity	134
5329098	Undefined_Atom_Stereo_Count	0
56737	TPSA	106
9571062	TPSA	132
55284589	Undefined_Bond_Stereo_Count	0
18178	Hydrogen_Bond_Acceptor_Count	0
15715748	XLogP3-AA	2
216225	TPSA	110
2734164	Isotope_Atom_Count	0
12301251	Total_Formal_Charge	0
70926	Undefined_Bond_Stereo_Count	0
565593	Undefined_Atom_Stereo_Count	0
63093	Isotope_Atom_Count	0
132274234	TPSA	557
53960	TPSA	33.5
90915228	Undefined_Bond_Stereo_Count	0
12644711	Non-hydrogen_Atom_Count	6
133611945	Undefined_Bond_Stereo_Count	0
64510	Hydrogen_Bond_Acceptor_Count	4
13191	Structure_Complexity	56.6
10407275	Total_Formal_Charge	0
28649	Non-hydrogen_Atom_Count	15
140473289	Molecular_Weight	1202.6
139078692	Undefined_Bond_Stereo_Count	0
6032	Rotatable_Bond_Count	6
20561708	Mono_Isotopic_Weight	97.027611728
5475462	Non-hydrogen_Atom_Count	11
23599502	TPSA	60.6
25142172	XLogP3-AA	3
19375004	Total_Formal_Charge	0
125461706	Isotope_Atom_Count	0
5355457	Covalent_Unit_Count	1
5382104	Undefined_Atom_Stereo_Count	9
518455	Exact_Mass	113.07014524
10352112	Defined_Bond_Stereo_Count	0
259821	Non-hydrogen_Atom_Count	10
71773446	Rotatable_Bond_Count	6
70702306	Molecular_Weight	385.5
21893333	Exact_Mass	109.052763847
27991	Defined_Bond_Stereo_Count	0
170249	Undefined_Bond_Stereo_Count	0
70677	Total_Formal_Charge	0
13001072	Total_Formal_Charge	0
57390867	Structure_Complexity	731
10975431	Structure_Complexity	166
3968000	Non-hydrogen_Atom_Count	28
539829	Exact_Mass	222.08920892
11351021	Defined_Bond_Stereo_Count	0
7108	Non-hydrogen_Atom_Count	14
71406	Molecular_Weight	574.8
52944532	Undefined_Bond_Stereo_Count	0
3613359	Structure_Complexity	22.8
29215	XLogP3-AA	2.9
61305	TPSA	142
129881709	Structure_Complexity	203
87081618	Non-hydrogen_Atom_Count	10
85364156	Undefined_Atom_Stereo_Count	1
680502	Non-hydrogen_Atom_Count	25
446210	Exact_Mass	493.99916019
5248373	Covalent_Unit_Count	1
31237	Defined_Atom_Stereo_Count	0
13593925	Covalent_Unit_Count	1
1905	Defined_Atom_Stereo_Count	0
5223	Defined_Atom_Stereo_Count	0
115011049	TPSA	26.3
8102	Undefined_Atom_Stereo_Count	0
23652731	TPSA	71
7065	Structure_Complexity	298
6040503	TPSA	35.5
66764350	Total_Formal_Charge	0
347	Mono_Isotopic_Weight	286.10525291
1414	Mono_Isotopic_Weight	280.20384475
850501	Non-hydrogen_Atom_Count	25
12581	Covalent_Unit_Count	1
23691974	Non-hydrogen_Atom_Count	13
21715653	Hydrogen_Bond_Donor_Count	0
73670	Undefined_Bond_Stereo_Count	0
2170	Total_Formal_Charge	0
28858	Undefined_Bond_Stereo_Count	0
14965861	Covalent_Unit_Count	1
73219	Total_Formal_Charge	0
10613	Molecular_Weight	200.11
123304022	Defined_Bond_Stereo_Count	0
134160331	Rotatable_Bond_Count	12
28864	Defined_Atom_Stereo_Count	2
12832575	Undefined_Atom_Stereo_Count	2
76971016	Rotatable_Bond_Count	6
19919696	Structure_Complexity	131
18696579	Isotope_Atom_Count	0
17326	Tautomer_Count	1
26462	Isotope_Atom_Count	0
54584708	XLogP3-AA	4.9
27627	Exact_Mass	98.073164938
84041	Hydrogen_Bond_Donor_Count	1
3033871	Undefined_Bond_Stereo_Count	0
50937	Total_Formal_Charge	0
20558	Covalent_Unit_Count	1
55245	XLogP3-AA	3.8
9843089	Isotope_Atom_Count	0
10727124	Total_Formal_Charge	0
21059	Mono_Isotopic_Weight	140.047344113
4204	XLogP3-AA	3.7
21873275	Undefined_Atom_Stereo_Count	0
9919816	Undefined_Atom_Stereo_Count	0
91820610	Defined_Atom_Stereo_Count	6
44414678	XLogP3-AA	4.3
662452	Hydrogen_Bond_Acceptor_Count	7
521993	Exact_Mass	102.068079557
6474640	Hydrogen_Bond_Donor_Count	7
6452481	Defined_Bond_Stereo_Count	0
8231	Total_Formal_Charge	0
3080589	Structure_Complexity	355
134032	Hydrogen_Bond_Donor_Count	0
3799953	Defined_Atom_Stereo_Count	0
11200	Exact_Mass	139.937397
3180466	Exact_Mass	468.21614077
78072498	Exact_Mass	331.168462302
2810830	Defined_Bond_Stereo_Count	0
9852519	Undefined_Bond_Stereo_Count	0
66509087	Hydrogen_Bond_Acceptor_Count	12
61534	Hydrogen_Bond_Acceptor_Count	2
21930812	Undefined_Bond_Stereo_Count	0
11179267	Undefined_Atom_Stereo_Count	1
73339	Exact_Mass	229.05211239
60982	TPSA	29.5
54077	Total_Formal_Charge	0
2570	Defined_Bond_Stereo_Count	0
17994637	Isotope_Atom_Count	0
10888051	Hydrogen_Bond_Donor_Count	0
108199	Hydrogen_Bond_Acceptor_Count	3
9016	TPSA	18.5
76451	Isotope_Atom_Count	0
59050126	Structure_Complexity	74.9
565589	XLogP3-AA	2.6
62092	Defined_Bond_Stereo_Count	0
12968	Molecular_Weight	189.32
978	TPSA	63.3
3084447	Undefined_Atom_Stereo_Count	0
45738	TPSA	9.2
136013897	Hydrogen_Bond_Acceptor_Count	3
70683091	Structure_Complexity	683
98442	Structure_Complexity	276
135413523	Mono_Isotopic_Weight	666.23192722
86623588	Covalent_Unit_Count	2
99824	Non-hydrogen_Atom_Count	9
58247512	Covalent_Unit_Count	1
638793	Mono_Isotopic_Weight	1181.57302551
72200357	XLogP3-AA	3.3
17563	Covalent_Unit_Count	1
123554527	XLogP3-AA	1
54046888	Rotatable_Bond_Count	3
12754038	Non-hydrogen_Atom_Count	8
45120331	Hydrogen_Bond_Acceptor_Count	1
8475	Undefined_Bond_Stereo_Count	0
12750169	Undefined_Atom_Stereo_Count	0
33899	Total_Formal_Charge	0
114681	Rotatable_Bond_Count	1
8299	TPSA	37.3
41794	Rotatable_Bond_Count	2
40468194	TPSA	147
134860471	Rotatable_Bond_Count	1
12510987	Exact_Mass	98.084398327
6871	Total_Formal_Charge	0
317543	Hydrogen_Bond_Donor_Count	1
91580832	Hydrogen_Bond_Donor_Count	2
129628202	Hydrogen_Bond_Acceptor_Count	25
5067511	Rotatable_Bond_Count	1
31041	Hydrogen_Bond_Acceptor_Count	1
6450531	TPSA	179
70610	XLogP3	0.5
3883	Covalent_Unit_Count	1
42302	TPSA	46.2
6555	Molecular_Weight	137.02
19601937	Defined_Bond_Stereo_Count	0
54265485	XLogP3-AA	0.8
13017912	TPSA	164
25203153	Non-hydrogen_Atom_Count	7
4560140	Covalent_Unit_Count	1
75868	Hydrogen_Bond_Acceptor_Count	5
411	Mono_Isotopic_Weight	353.13487601
71577	Total_Formal_Charge	0
5497174	Hydrogen_Bond_Donor_Count	3
23655	Hydrogen_Bond_Donor_Count	1
135409438	Mono_Isotopic_Weight	289.05760550
8020	XLogP3	0.2
21604850	TPSA	23.8
21618	Covalent_Unit_Count	1
59348	XLogP3-AA	2.5
67636	TPSA	62.8
65111	Covalent_Unit_Count	1
94865124	Covalent_Unit_Count	1
12576851	Mono_Isotopic_Weight	112.074896272
198061	Defined_Atom_Stereo_Count	0
3881	Structure_Complexity	445
55423	Hydrogen_Bond_Donor_Count	1
4536	XLogP3	3
135512673	Molecular_Weight	822.9
93186	Mono_Isotopic_Weight	154.135765193
61032	TPSA	33
12599701	Isotope_Atom_Count	0
81058	Isotope_Atom_Count	0
6539003	Structure_Complexity	453
4438527	Non-hydrogen_Atom_Count	45
4743	Molecular_Weight	685.9
4640	Defined_Atom_Stereo_Count	0
18616638	Exact_Mass	99.068413911
14022509	Molecular_Weight	233.30
76609483	TPSA	41.8
17019	Mono_Isotopic_Weight	270.00441
67832	Mono_Isotopic_Weight	202.00287536
79013	Molecular_Weight	478.7
31266	Hydrogen_Bond_Donor_Count	0
64302	Total_Formal_Charge	0
54693468	Hydrogen_Bond_Acceptor_Count	6
22491624	Structure_Complexity	72.5
134688474	Isotope_Atom_Count	0
11995188	Total_Formal_Charge	0
6918146	Undefined_Atom_Stereo_Count	2
4068	Rotatable_Bond_Count	2
5184540	Structure_Complexity	114
54475	Hydrogen_Bond_Acceptor_Count	1
423438	Covalent_Unit_Count	2
99960	Structure_Complexity	272
5095	Exact_Mass	260.188863393
2335	Exact_Mass	412.321554582
973350	Hydrogen_Bond_Donor_Count	0
391	Isotope_Atom_Count	0
20472034	Structure_Complexity	156
11502188	XLogP3-AA	3.3
20935	Structure_Complexity	50
15673	Hydrogen_Bond_Donor_Count	0
136506065	Hydrogen_Bond_Donor_Count	2
124969	Rotatable_Bond_Count	4
5359541	Covalent_Unit_Count	1
23669619	Defined_Bond_Stereo_Count	0
126969105	Rotatable_Bond_Count	5
99147	Isotope_Atom_Count	0
12618861	XLogP3-AA	0.3
99058	Hydrogen_Bond_Acceptor_Count	9
40467346	Total_Formal_Charge	1
517546	Molecular_Weight	225.3
55250	Exact_Mass	376.14567842
67419859	Rotatable_Bond_Count	11
71584405	Non-hydrogen_Atom_Count	30
854019	Molecular_Weight	176.21
99057	Hydrogen_Bond_Donor_Count	3
70480837	Exact_Mass	109.027611728
6999987	Exact_Mass	102.104465066
166089069	Undefined_Atom_Stereo_Count	2
131159598	Mono_Isotopic_Weight	112.088815002
69631	Total_Formal_Charge	0
123203551	Non-hydrogen_Atom_Count	8
123570	Defined_Bond_Stereo_Count	0
657	XLogP3-AA	5.3
3832	Exact_Mass	347.12296866
3085401	Molecular_Weight	246.34
19044091	Hydrogen_Bond_Donor_Count	3
67108132	Total_Formal_Charge	0
69540411	Mono_Isotopic_Weight	586.3546303
71434160	Structure_Complexity	688
135487856	Hydrogen_Bond_Donor_Count	2
2724055	Undefined_Atom_Stereo_Count	0
19077498	XLogP3-AA	4.5
123525	Hydrogen_Bond_Acceptor_Count	1
66586067	Structure_Complexity	316
57417608	Isotope_Atom_Count	0
24838	Exact_Mass	186.161979940
10930781	Defined_Atom_Stereo_Count	2
70068	Undefined_Atom_Stereo_Count	0
5951	Covalent_Unit_Count	1
15670683	Undefined_Atom_Stereo_Count	2
6327	TPSA	0
52366	Exact_Mass	179.094628657
5364448	Structure_Complexity	53.1
85104	Tautomer_Count	3
15650	Molecular_Weight	98.14
19027501	Rotatable_Bond_Count	3
5367854	Total_Formal_Charge	0
71750	TPSA	58.7
71887	Undefined_Atom_Stereo_Count	0
10788	Hydrogen_Bond_Donor_Count	0
123208701	Mono_Isotopic_Weight	99.104799419
43708	Isotope_Atom_Count	0
116701084	Molecular_Weight	104.15
15588	Covalent_Unit_Count	1
6896	Isotope_Atom_Count	0
135441757	XLogP3	2.3
70690618	Molecular_Weight	398.5
25271887	Isotope_Atom_Count	0
27934	Defined_Bond_Stereo_Count	0
21336123	Covalent_Unit_Count	1
44160	Hydrogen_Bond_Acceptor_Count	3
12532	Rotatable_Bond_Count	15
54394679	Defined_Bond_Stereo_Count	0
640	Defined_Atom_Stereo_Count	0
16759993	Structure_Complexity	457
159627	Exact_Mass	279.98876
518996	Defined_Atom_Stereo_Count	0
20498	Rotatable_Bond_Count	5
9402	Undefined_Atom_Stereo_Count	7
96402	XLogP3	5.2
11593431	Hydrogen_Bond_Acceptor_Count	2
44181920	Defined_Atom_Stereo_Count	0
96638024	TPSA	25.2
13301951	Isotope_Atom_Count	0
100156	Isotope_Atom_Count	0
555	Exact_Mass	144.102453689
733511	Isotope_Atom_Count	0
21883050	Undefined_Atom_Stereo_Count	0
136085	Covalent_Unit_Count	1
89921642	Isotope_Atom_Count	0
44421047	Molecular_Weight	924.1
135403646	Defined_Atom_Stereo_Count	0
66970	Covalent_Unit_Count	1
80065	Hydrogen_Bond_Donor_Count	2
55300028	Structure_Complexity	92.5
23111554	Undefined_Atom_Stereo_Count	1
5287541	Tautomer_Count	1
210172	TPSA	53.1
5311104	Rotatable_Bond_Count	3
315341	Covalent_Unit_Count	1
20774103	Undefined_Atom_Stereo_Count	1
140376	Exact_Mass	108.068748264
21139920	Defined_Atom_Stereo_Count	10
12852568	Rotatable_Bond_Count	0
16113206	Hydrogen_Bond_Donor_Count	1
1341	Rotatable_Bond_Count	3
10329254	Structure_Complexity	57.2
6913	Exact_Mass	135.104799419
659064	Structure_Complexity	331
65700	Undefined_Bond_Stereo_Count	0
3725082	Non-hydrogen_Atom_Count	15
41649	Mono_Isotopic_Weight	373.1080858
40632	Hydrogen_Bond_Donor_Count	0
5483631	Hydrogen_Bond_Acceptor_Count	2
6999977	Covalent_Unit_Count	1
141407094	Defined_Bond_Stereo_Count	0
72286622	Rotatable_Bond_Count	3
146158371	Hydrogen_Bond_Acceptor_Count	10
152932	Undefined_Bond_Stereo_Count	0
10811	Covalent_Unit_Count	1
5738	Hydrogen_Bond_Acceptor_Count	7
124886	Defined_Atom_Stereo_Count	2
53808	Undefined_Atom_Stereo_Count	0
131954767	Total_Formal_Charge	1
53319416	Defined_Atom_Stereo_Count	0
7499	Exact_Mass	108.093900383
5130673	Defined_Bond_Stereo_Count	0
97597	Structure_Complexity	585
63958	Isotope_Atom_Count	0
5283377	Exact_Mass	236.214015512
638552	Molecular_Weight	319.9
145720674	Rotatable_Bond_Count	7
3076	Undefined_Atom_Stereo_Count	2
1441454	Hydrogen_Bond_Donor_Count	1
3437	Undefined_Atom_Stereo_Count	0
68366899	Structure_Complexity	382
20221840	Defined_Bond_Stereo_Count	0
16351	Undefined_Atom_Stereo_Count	0
31343	Hydrogen_Bond_Acceptor_Count	5
443156	Covalent_Unit_Count	1
135410875	Exact_Mass	427.14918341
2770166	Non-hydrogen_Atom_Count	8
43436603	Non-hydrogen_Atom_Count	8
1027	Total_Formal_Charge	0
22918788	Mono_Isotopic_Weight	88.052429494
69845357	Undefined_Atom_Stereo_Count	1
5330197	Defined_Bond_Stereo_Count	0
9903970	Undefined_Bond_Stereo_Count	0
23190	Molecular_Weight	266.25
21917771	Rotatable_Bond_Count	0
46132	Isotope_Atom_Count	0
25101755	Structure_Complexity	705
9861	Defined_Bond_Stereo_Count	0
5287851	Molecular_Weight	315.41
833992	Undefined_Bond_Stereo_Count	0
71463896	Exact_Mass	512.35017463
5281969	Structure_Complexity	408
87074	Structure_Complexity	123
131954786	Exact_Mass	3356.8220541
123223	Hydrogen_Bond_Donor_Count	0
66908762	Rotatable_Bond_Count	0
13593982	Hydrogen_Bond_Donor_Count	1
521076	Covalent_Unit_Count	1
8902	Undefined_Atom_Stereo_Count	0
18712662	Hydrogen_Bond_Donor_Count	1
22054617	Molecular_Weight	169.18
71895	XLogP3-AA	3
9883029	Exact_Mass	307.132076794
698716	Undefined_Bond_Stereo_Count	0
52950127	Hydrogen_Bond_Donor_Count	1
12794196	Covalent_Unit_Count	1
19527	Total_Formal_Charge	0
82718176	Molecular_Weight	116.16
1414	Rotatable_Bond_Count	12
638066	Undefined_Atom_Stereo_Count	0
11511	Non-hydrogen_Atom_Count	8
12632903	Defined_Atom_Stereo_Count	0
53316386	Undefined_Atom_Stereo_Count	0
154734173	XLogP3-AA	0.2
521994	Non-hydrogen_Atom_Count	7
16821	Non-hydrogen_Atom_Count	14
9940086	TPSA	174
135718449	Defined_Atom_Stereo_Count	0
60155458	Hydrogen_Bond_Acceptor_Count	9
135449331	Tautomer_Count	15
12210217	XLogP3-AA	1.3
104677	Total_Formal_Charge	0
41506	Exact_Mass	346.13805082
160368576	TPSA	99.6
23725019	Isotope_Atom_Count	0
6070	Hydrogen_Bond_Acceptor_Count	3
16007393	Isotope_Atom_Count	0
59539	Undefined_Atom_Stereo_Count	0
49862768	Defined_Atom_Stereo_Count	0
11605	Mono_Isotopic_Weight	80.062600255
18827	Molecular_Weight	128.21
24838	Undefined_Atom_Stereo_Count	1
524766	Rotatable_Bond_Count	2
12672	Undefined_Atom_Stereo_Count	0
1117	Undefined_Atom_Stereo_Count	0
101649230	Total_Formal_Charge	0
25142970	Isotope_Atom_Count	0
12255457	Undefined_Bond_Stereo_Count	0
5324	Covalent_Unit_Count	1
130411460	Defined_Bond_Stereo_Count	1
71720675	Rotatable_Bond_Count	4
18618	TPSA	224
876	TPSA	88.6
135546482	Rotatable_Bond_Count	2
11029806	TPSA	43.4
42884	Non-hydrogen_Atom_Count	26
156651923	Structure_Complexity	113
521951	Structure_Complexity	387
145994868	Molecular_Weight	3283.6
637520	Undefined_Bond_Stereo_Count	0
13885286	TPSA	101
9805	Rotatable_Bond_Count	0
75282141	Rotatable_Bond_Count	4
6641	TPSA	18.5
9795276	Total_Formal_Charge	0
151255	Hydrogen_Bond_Acceptor_Count	3
190818	Molecular_Weight	496.4
66124	Undefined_Atom_Stereo_Count	0
7259	Rotatable_Bond_Count	0
134479	Defined_Bond_Stereo_Count	0
78440	Exact_Mass	362.09498026
85538179	Hydrogen_Bond_Acceptor_Count	3
11850899	Non-hydrogen_Atom_Count	24
6918502	Molecular_Weight	499.6
21691268	Undefined_Bond_Stereo_Count	0
13925600	Defined_Bond_Stereo_Count	0
54686187	Defined_Bond_Stereo_Count	0
11116296	Undefined_Atom_Stereo_Count	2
1071	Undefined_Atom_Stereo_Count	0
23709629	Isotope_Atom_Count	0
72199381	Defined_Bond_Stereo_Count	0
79004	Defined_Bond_Stereo_Count	0
212	Molecular_Weight	358.28
130232326	Hydrogen_Bond_Acceptor_Count	5
9817140	Hydrogen_Bond_Donor_Count	1
8590	Total_Formal_Charge	0
1367	Hydrogen_Bond_Acceptor_Count	3
4713	Tautomer_Count	5
5459811	Exact_Mass	426.386166214
44258737	Undefined_Atom_Stereo_Count	2
71743826	Total_Formal_Charge	0
445576	TPSA	54.4
21107383	Molecular_Weight	376.9
681	Structure_Complexity	119
66112	Defined_Bond_Stereo_Count	0
118086727	Total_Formal_Charge	0
53635139	Total_Formal_Charge	0
445318	Undefined_Bond_Stereo_Count	0
16684927	Hydrogen_Bond_Donor_Count	0
13285795	Mono_Isotopic_Weight	85.052763847
161830	Mono_Isotopic_Weight	266.85305
7154	Rotatable_Bond_Count	3
8679	Defined_Atom_Stereo_Count	0
12759	Hydrogen_Bond_Acceptor_Count	1
2224	Mono_Isotopic_Weight	356.23270009
11988953	Tautomer_Count	1
12510929	Non-hydrogen_Atom_Count	8
688145	Defined_Bond_Stereo_Count	1
57147295	Exact_Mass	100.052429494
97113	Hydrogen_Bond_Acceptor_Count	3
53734710	Hydrogen_Bond_Acceptor_Count	2
60196346	Molecular_Weight	432.5
124723	Exact_Mass	128.058577502
16004	Exact_Mass	230.899010
32897	Exact_Mass	151.099714038
5464076	Non-hydrogen_Atom_Count	32
123867503	TPSA	0
9848990	Total_Formal_Charge	0
6857536	Rotatable_Bond_Count	0
24853	Covalent_Unit_Count	4
17690	TPSA	0
5327065	Total_Formal_Charge	0
643606	Total_Formal_Charge	0
5256168	Tautomer_Count	1
3084667	Non-hydrogen_Atom_Count	22
13908	Rotatable_Bond_Count	0
60992	Covalent_Unit_Count	2
93738	Hydrogen_Bond_Donor_Count	0
89482	Undefined_Bond_Stereo_Count	0
90041889	Rotatable_Bond_Count	1
102059952	Hydrogen_Bond_Donor_Count	3
12673	Molecular_Weight	161.95
6509979	Isotope_Atom_Count	0
65764	Hydrogen_Bond_Donor_Count	0
71454296	Molecular_Weight	522.3
4219136	Total_Formal_Charge	0
57401296	Structure_Complexity	614
10217663	Defined_Bond_Stereo_Count	0
725300	Non-hydrogen_Atom_Count	20
38350	Total_Formal_Charge	0
91171	Structure_Complexity	52.5
135445761	Hydrogen_Bond_Donor_Count	1
44276024	Rotatable_Bond_Count	11
94217	Undefined_Atom_Stereo_Count	3
54704426	Total_Formal_Charge	0
46933	Hydrogen_Bond_Acceptor_Count	3
5459910	Structure_Complexity	547
7291	Exact_Mass	108.02450067
76398	Non-hydrogen_Atom_Count	7
32924	Non-hydrogen_Atom_Count	11
165339	Defined_Bond_Stereo_Count	0
55397	Undefined_Atom_Stereo_Count	0
57674785	Covalent_Unit_Count	1
56672300	TPSA	109
12581088	Hydrogen_Bond_Donor_Count	0
11651921	TPSA	110
14537426	Non-hydrogen_Atom_Count	7
76464	Mono_Isotopic_Weight	226.07588133
63622	Defined_Bond_Stereo_Count	0
44148067	Isotope_Atom_Count	0
44468216	Rotatable_Bond_Count	2
3191	Rotatable_Bond_Count	10
16683012	Molecular_Weight	908.89
56675699	XLogP3-AA	3.7
81876	Undefined_Atom_Stereo_Count	0
941102	Exact_Mass	332.0927701
21893797	TPSA	12
140152869	Hydrogen_Bond_Donor_Count	1
94357	Isotope_Atom_Count	0
51755	Structure_Complexity	500
25183872	Hydrogen_Bond_Acceptor_Count	4
5360807	Undefined_Atom_Stereo_Count	0
8282	Defined_Atom_Stereo_Count	0
11610354	Undefined_Atom_Stereo_Count	0
2713	Hydrogen_Bond_Acceptor_Count	2
37464	Undefined_Bond_Stereo_Count	0
99816	Defined_Atom_Stereo_Count	0
41384	Exact_Mass	380.21336406
44119936	Undefined_Atom_Stereo_Count	0
15565266	Hydrogen_Bond_Acceptor_Count	2
45266912	XLogP3-AA	6.9
22615	Defined_Atom_Stereo_Count	0
64017	Structure_Complexity	412
5288564	Defined_Bond_Stereo_Count	0
11442383	Structure_Complexity	640
10027816	Total_Formal_Charge	0
142044455	Covalent_Unit_Count	1
20591	Undefined_Atom_Stereo_Count	0
119097490	Mono_Isotopic_Weight	114.068079557
4552223	Undefined_Bond_Stereo_Count	0
135951	Molecular_Weight	279.27
7839	XLogP3	2
76198	Total_Formal_Charge	0
123888456	Molecular_Weight	109.17
20372060	Mono_Isotopic_Weight	113.047678466
165360154	Exact_Mass	846.1243199
69849	Undefined_Bond_Stereo_Count	0
17895808	XLogP3-AA	0.3
15615	Exact_Mass	98.084398327
14714336	Hydrogen_Bond_Acceptor_Count	1
101008927	Exact_Mass	275.188529040
78819	Rotatable_Bond_Count	5
11906	Total_Formal_Charge	0
145359725	Defined_Bond_Stereo_Count	0
5280863	Defined_Atom_Stereo_Count	0
54840	TPSA	21.3
53763275	Total_Formal_Charge	0
10393	Non-hydrogen_Atom_Count	10
66602654	XLogP3-AA	0
580057	Isotope_Atom_Count	0
10975416	Hydrogen_Bond_Acceptor_Count	2
53678703	Non-hydrogen_Atom_Count	8
535722	XLogP3-AA	0.9
69046	XLogP3-AA	3.6
5743396	Defined_Bond_Stereo_Count	0
41910	Defined_Atom_Stereo_Count	0
153400963	Structure_Complexity	92.4
21610771	Molecular_Weight	117.10
6456014	Mono_Isotopic_Weight	433.20015635
565424	Isotope_Atom_Count	0
135814155	Total_Formal_Charge	0
14178853	Non-hydrogen_Atom_Count	30
669019	Structure_Complexity	255
49170	Exact_Mass	242.12665706
13284111	Defined_Atom_Stereo_Count	0
13379958	Hydrogen_Bond_Acceptor_Count	1
135472946	Rotatable_Bond_Count	7
93234	Defined_Bond_Stereo_Count	0
24254	Exact_Mass	208.125200510
6891	Molecular_Weight	201.25
66485	Non-hydrogen_Atom_Count	20
14786610	Non-hydrogen_Atom_Count	7
65482	Mono_Isotopic_Weight	381.17606686
23692128	Non-hydrogen_Atom_Count	48
71335	Structure_Complexity	679
76674	Undefined_Bond_Stereo_Count	0
10824	Undefined_Bond_Stereo_Count	0
16307	Undefined_Atom_Stereo_Count	0
9868041	Undefined_Bond_Stereo_Count	0
23968	Hydrogen_Bond_Donor_Count	0
49862872	Total_Formal_Charge	0
5460819	Undefined_Bond_Stereo_Count	0
87809064	Covalent_Unit_Count	1
119086018	Defined_Atom_Stereo_Count	0
9589	Non-hydrogen_Atom_Count	9
11508058	Isotope_Atom_Count	0
25261	Tautomer_Count	1
89936880	Exact_Mass	527.23263824
117266483	Covalent_Unit_Count	1
132939820	Mono_Isotopic_Weight	181.06674293
79577129	TPSA	46.5
102521938	Mono_Isotopic_Weight	418.30830982
51039095	Structure_Complexity	622
70141017	XLogP3-AA	1.7
55294	Isotope_Atom_Count	0
84693	Hydrogen_Bond_Donor_Count	1
29976	Covalent_Unit_Count	3
99940264	Defined_Atom_Stereo_Count	10
14265921	Undefined_Bond_Stereo_Count	0
5283155	TPSA	57.5
413547	Rotatable_Bond_Count	5
139488	Mono_Isotopic_Weight	96.057514874
32249	Hydrogen_Bond_Donor_Count	1
45275554	Mono_Isotopic_Weight	492.1939613
76476	Undefined_Atom_Stereo_Count	0
140291701	Covalent_Unit_Count	1
24828759	Defined_Bond_Stereo_Count	0
2723785	Hydrogen_Bond_Donor_Count	2
11865459	Total_Formal_Charge	1
19892314	Defined_Bond_Stereo_Count	0
123134107	Undefined_Bond_Stereo_Count	0
18352108	Isotope_Atom_Count	0
4811	Undefined_Atom_Stereo_Count	2
13586	Rotatable_Bond_Count	1
90038	Structure_Complexity	167
12305986	XLogP3-AA	1.1
137643	Undefined_Atom_Stereo_Count	0
6005	Tautomer_Count	171
19082030	Covalent_Unit_Count	1
12497	Defined_Atom_Stereo_Count	0
11271730	Total_Formal_Charge	0
15122661	Undefined_Atom_Stereo_Count	1
21513403	Undefined_Bond_Stereo_Count	0
22986609	Defined_Atom_Stereo_Count	0
8907	Exact_Mass	298.287180451
21715587	Undefined_Bond_Stereo_Count	0
186114	Undefined_Bond_Stereo_Count	0
89578803	XLogP3-AA	1.5
193	Exact_Mass	384.12158893
13643838	Hydrogen_Bond_Acceptor_Count	2
7047	Non-hydrogen_Atom_Count	10
97617	Defined_Atom_Stereo_Count	0
14270	Undefined_Atom_Stereo_Count	0
25113635	Hydrogen_Bond_Acceptor_Count	22
119098022	Isotope_Atom_Count	0
85764696	Covalent_Unit_Count	1
44426760	Total_Formal_Charge	0
71888	TPSA	94.8
22882	Non-hydrogen_Atom_Count	21
86821	Structure_Complexity	634
67944290	Exact_Mass	180.06338810
15439202	Undefined_Atom_Stereo_Count	2
2437245	Molecular_Weight	180.20
193581	Exact_Mass	108.05349212
8569	XLogP3	3.3
8437	Covalent_Unit_Count	1
74038637	Hydrogen_Bond_Donor_Count	2
70447154	Total_Formal_Charge	0
17895808	Non-hydrogen_Atom_Count	7
6538996	Hydrogen_Bond_Acceptor_Count	7
40927	TPSA	53.1
816864	Exact_Mass	253.09502258
13586	Undefined_Bond_Stereo_Count	0
139254081	Defined_Atom_Stereo_Count	6
87349895	TPSA	60.7
2728270	Hydrogen_Bond_Donor_Count	1
15066029	Molecular_Weight	116.16
72034	Tautomer_Count	81
53472153	Isotope_Atom_Count	0
16376	Exact_Mass	113.022526347
9923162	Defined_Bond_Stereo_Count	0
56840877	Molecular_Weight	371.25
5372813	Undefined_Atom_Stereo_Count	0
12374	Hydrogen_Bond_Acceptor_Count	2
11073371	Isotope_Atom_Count	0
3015262	Exact_Mass	116.083729621
9547196	Covalent_Unit_Count	1
57090177	Covalent_Unit_Count	1
5284343	Mono_Isotopic_Weight	307.962121
11461044	Hydrogen_Bond_Acceptor_Count	5
23635314	Rotatable_Bond_Count	9
63179	Hydrogen_Bond_Acceptor_Count	5
261	Structure_Complexity	24.8
71795	Undefined_Bond_Stereo_Count	0
23991	Rotatable_Bond_Count	0
4403	Molecular_Weight	361.25
179668	Tautomer_Count	3
5121662	Non-hydrogen_Atom_Count	13
10240789	Covalent_Unit_Count	1
25793	Hydrogen_Bond_Donor_Count	1
15747657	Defined_Bond_Stereo_Count	0
65072	Molecular_Weight	189.21
224833	Rotatable_Bond_Count	2
4103	Mono_Isotopic_Weight	380.10420754
172997	TPSA	54.3
5491647	Isotope_Atom_Count	0
13730	Isotope_Atom_Count	0
22832145	Non-hydrogen_Atom_Count	64
51585	Molecular_Weight	224.32
119095542	Isotope_Atom_Count	0
70851	Covalent_Unit_Count	1
13976241	TPSA	32.3
2723715	Covalent_Unit_Count	3
44564107	Exact_Mass	7591.7553328
34364440	Isotope_Atom_Count	0
2653	Isotope_Atom_Count	0
5977	Undefined_Atom_Stereo_Count	0
90444	Total_Formal_Charge	0
8317	Rotatable_Bond_Count	0
216258	Undefined_Atom_Stereo_Count	13
12504793	Structure_Complexity	64.6
46943323	Hydrogen_Bond_Acceptor_Count	6
12460864	Defined_Bond_Stereo_Count	0
69763756	Defined_Atom_Stereo_Count	0
312816	Undefined_Atom_Stereo_Count	6
5884	Mono_Isotopic_Weight	745.09110351
59149828	Isotope_Atom_Count	0
4373	XLogP3	0.1
324081	Exact_Mass	221.095297364
123309341	Rotatable_Bond_Count	0
11073377	Undefined_Bond_Stereo_Count	0
5281771	Structure_Complexity	1230
16213473	Molecular_Weight	672.9
52943334	Defined_Atom_Stereo_Count	1
119058385	Defined_Bond_Stereo_Count	0
7566942	Structure_Complexity	382
46931005	Isotope_Atom_Count	0
11620576	Hydrogen_Bond_Donor_Count	3
25803	Hydrogen_Bond_Donor_Count	2
11676068	Molecular_Weight	417.9
162649852	Covalent_Unit_Count	1
3032285	Defined_Atom_Stereo_Count	0
21932803	Defined_Atom_Stereo_Count	0
10219406	XLogP3-AA	1.2
6057875	Hydrogen_Bond_Acceptor_Count	14
130025161	Total_Formal_Charge	0
463694	Defined_Bond_Stereo_Count	0
86289608	Undefined_Atom_Stereo_Count	0
506152	Total_Formal_Charge	0
447377	Hydrogen_Bond_Acceptor_Count	13
87402170	Covalent_Unit_Count	1
66603137	Undefined_Atom_Stereo_Count	0
87774825	Total_Formal_Charge	0
565424	Non-hydrogen_Atom_Count	10
108054	TPSA	1
23533306	Undefined_Bond_Stereo_Count	0
102239760	Molecular_Weight	704.9
55287924	Undefined_Atom_Stereo_Count	1
45357148	Structure_Complexity	3220
150311	XLogP3-AA	4
96338	Undefined_Bond_Stereo_Count	0
25150	Isotope_Atom_Count	0
72921	Exact_Mass	123.068413911
70684	Total_Formal_Charge	0
20826383	Undefined_Bond_Stereo_Count	0
136060671	Exact_Mass	181.121512110
12695798	Isotope_Atom_Count	0
524270	Hydrogen_Bond_Acceptor_Count	2
13601830	Defined_Atom_Stereo_Count	0
3628	Undefined_Bond_Stereo_Count	0
57399429	Undefined_Atom_Stereo_Count	0
940066	Isotope_Atom_Count	0
3959	Covalent_Unit_Count	1
49862574	Mono_Isotopic_Weight	442.15379832
17343	Exact_Mass	261.893590
12061944	Non-hydrogen_Atom_Count	8
11632113	Hydrogen_Bond_Acceptor_Count	7
90488715	Mono_Isotopic_Weight	1018.44048069
3009	Defined_Bond_Stereo_Count	0
123309341	Hydrogen_Bond_Acceptor_Count	2
2772687	Non-hydrogen_Atom_Count	19
10492	Rotatable_Bond_Count	0
60846	Isotope_Atom_Count	0
53385491	Mono_Isotopic_Weight	1582.6453481
1607	Exact_Mass	168.05349212
59693872	Defined_Atom_Stereo_Count	0
1381	Exact_Mass	408.18886022
118318030	Structure_Complexity	756
46916	Molecular_Weight	270.35
9855476	Structure_Complexity	154
61199	Total_Formal_Charge	0
103656	Tautomer_Count	1
20035294	Isotope_Atom_Count	0
60196380	Undefined_Bond_Stereo_Count	0
102402986	Hydrogen_Bond_Donor_Count	0
56453	Defined_Bond_Stereo_Count	0
13306877	Hydrogen_Bond_Acceptor_Count	2
87452564	Exact_Mass	116.047344113
21218701	Undefined_Atom_Stereo_Count	1
4224	Covalent_Unit_Count	1
6917975	Structure_Complexity	1040
753	Hydrogen_Bond_Donor_Count	3
150748	Total_Formal_Charge	0
46937020	Undefined_Bond_Stereo_Count	0
57016034	Covalent_Unit_Count	1
54472110	Defined_Bond_Stereo_Count	0
129661122	Non-hydrogen_Atom_Count	10
141130780	Structure_Complexity	74.5
21419483	Hydrogen_Bond_Acceptor_Count	3
129865974	Molecular_Weight	496.8
27775	Covalent_Unit_Count	1
160617	Undefined_Bond_Stereo_Count	0
15629	Molecular_Weight	214.65
228006	Undefined_Atom_Stereo_Count	1
118994155	Structure_Complexity	147
3685	Total_Formal_Charge	0
68022407	Hydrogen_Bond_Donor_Count	0
12544790	Hydrogen_Bond_Acceptor_Count	1
9567537	TPSA	176
636367	Exact_Mass	193.05863707
26762	Molecular_Weight	229.32
10701796	Rotatable_Bond_Count	1
248934	Total_Formal_Charge	0
6917793	Molecular_Weight	408.5
451189	Non-hydrogen_Atom_Count	12
114506	Rotatable_Bond_Count	2
109016492	Hydrogen_Bond_Donor_Count	2
54760	XLogP3-AA	2.3
10197646	Undefined_Bond_Stereo_Count	0
6610292	Structure_Complexity	568
656902	Exact_Mass	317.05692299
8502	Structure_Complexity	193
16224456	Mono_Isotopic_Weight	609.26612791
12564	TPSA	0
69340843	Mono_Isotopic_Weight	111.079647300
9793926	Structure_Complexity	151
19778654	Hydrogen_Bond_Donor_Count	1
2734122	Rotatable_Bond_Count	3
88483	Undefined_Bond_Stereo_Count	0
70413	Tautomer_Count	1
19938786	Non-hydrogen_Atom_Count	8
72913	Mono_Isotopic_Weight	118.053098200
78015	Structure_Complexity	95
83803459	XLogP3-AA	0
25683	Covalent_Unit_Count	1
10346870	TPSA	121
11332442	Defined_Bond_Stereo_Count	0
586156	Molecular_Weight	137.14
42955	XLogP3	3.7
649852	Total_Formal_Charge	0
5287971	Rotatable_Bond_Count	40
137254	Hydrogen_Bond_Acceptor_Count	2
2451	Undefined_Bond_Stereo_Count	0
4942	Total_Formal_Charge	0
11446306	Covalent_Unit_Count	1
6971070	Exact_Mass	179.03443370
10129907	Defined_Bond_Stereo_Count	0
55603	Defined_Bond_Stereo_Count	0
198061	XLogP3-AA	3.5
30552	Defined_Atom_Stereo_Count	3
21956312	Isotope_Atom_Count	0
55290981	Defined_Atom_Stereo_Count	0
49868115	Mono_Isotopic_Weight	233.800115
2763078	Isotope_Atom_Count	0
58557659	Undefined_Bond_Stereo_Count	0
3084091	Defined_Atom_Stereo_Count	12
89875063	TPSA	20.2
12420192	Mono_Isotopic_Weight	111.068413911
44570889	Undefined_Atom_Stereo_Count	0
72257	Tautomer_Count	3
58391580	Undefined_Atom_Stereo_Count	6
61583	XLogP3-AA	2.5
94926	XLogP3-AA	3
17904790	Undefined_Atom_Stereo_Count	0
20387223	Hydrogen_Bond_Acceptor_Count	1
3736	Non-hydrogen_Atom_Count	32
11332471	Hydrogen_Bond_Donor_Count	1
148241675	Defined_Atom_Stereo_Count	0
70499	Exact_Mass	143.131014166
21131860	Defined_Atom_Stereo_Count	0
198695	XLogP3-AA	0
41466	Exact_Mass	130.074227566
8063338	Mono_Isotopic_Weight	115.026943022
83883	Rotatable_Bond_Count	6
7020657	Undefined_Bond_Stereo_Count	0
12259683	Mono_Isotopic_Weight	403.23587315
12079	Defined_Atom_Stereo_Count	0
43116	Mono_Isotopic_Weight	851.37752882
119747	Hydrogen_Bond_Acceptor_Count	19
23021453	TPSA	67.9
86063	Molecular_Weight	183.16
7752	Defined_Bond_Stereo_Count	0
6419807	TPSA	51.4
3638	Hydrogen_Bond_Acceptor_Count	4
10376	TPSA	35.5
6437859	Non-hydrogen_Atom_Count	15
71366347	Mono_Isotopic_Weight	86.036779430
91	Non-hydrogen_Atom_Count	12
16231	Defined_Bond_Stereo_Count	0
81093	XLogP3-AA	1.7
46780152	XLogP3-AA	5.1
5283632	Covalent_Unit_Count	1
1712	Defined_Bond_Stereo_Count	0
13908	Non-hydrogen_Atom_Count	15
64148	Mono_Isotopic_Weight	239.99869710
61098	Molecular_Weight	210.31
119096	XLogP3	2
6588	XLogP3-AA	3.6
124605129	Covalent_Unit_Count	1
3743706	Exact_Mass	127.06088375
55472	Molecular_Weight	837.0
58270418	Covalent_Unit_Count	1
21823	Undefined_Bond_Stereo_Count	0
6537431	Total_Formal_Charge	0
22524140	Molecular_Weight	905.0
509864	Molecular_Weight	437.6
2734398	Undefined_Bond_Stereo_Count	0
141365	Hydrogen_Bond_Donor_Count	1
3002120	TPSA	247
19063360	Isotope_Atom_Count	0
44629600	Structure_Complexity	973
90078292	Defined_Atom_Stereo_Count	0
5732	Rotatable_Bond_Count	3
65793	TPSA	80.3
61627	Structure_Complexity	122
9128	Defined_Bond_Stereo_Count	0
9354	Hydrogen_Bond_Donor_Count	4
1083	Molecular_Weight	379.39
17945002	Undefined_Bond_Stereo_Count	0
23685289	TPSA	58.4
7309	Non-hydrogen_Atom_Count	13
143852	Tautomer_Count	1
24883432	Undefined_Bond_Stereo_Count	0
70637	Non-hydrogen_Atom_Count	12
13463247	Defined_Atom_Stereo_Count	0
6918474	Structure_Complexity	201
45437	Non-hydrogen_Atom_Count	17
68705	Defined_Bond_Stereo_Count	0
158431	Undefined_Atom_Stereo_Count	0
36246	Defined_Bond_Stereo_Count	0
197861	TPSA	20.3
11550876	Total_Formal_Charge	0
6919	Structure_Complexity	99.8
39066	Isotope_Atom_Count	0
307982	Hydrogen_Bond_Donor_Count	2
53316418	Mono_Isotopic_Weight	384.99109039
2683	Isotope_Atom_Count	0
14415253	Rotatable_Bond_Count	1
97823	Molecular_Weight	99.13
91370278	Hydrogen_Bond_Donor_Count	0
18999	Isotope_Atom_Count	0
93335	Undefined_Atom_Stereo_Count	1
3074827	Undefined_Atom_Stereo_Count	0
70119	Mono_Isotopic_Weight	185.96803
16324	Total_Formal_Charge	0
130443287	Hydrogen_Bond_Donor_Count	5
61236	Defined_Atom_Stereo_Count	0
9833444	TPSA	486
76403	Hydrogen_Bond_Acceptor_Count	1
10435	Molecular_Weight	111.11
11790	Undefined_Atom_Stereo_Count	0
16911	Covalent_Unit_Count	1
76241	Undefined_Bond_Stereo_Count	0
656657	Defined_Atom_Stereo_Count	1
14437479	Isotope_Atom_Count	0
13676	Hydrogen_Bond_Acceptor_Count	3
2532	Defined_Bond_Stereo_Count	0
72276	Covalent_Unit_Count	1
398737	Rotatable_Bond_Count	8
54608115	Isotope_Atom_Count	0
15942713	Non-hydrogen_Atom_Count	33
84106846	Exact_Mass	114.104465066
6785	Hydrogen_Bond_Acceptor_Count	6
39234960	Hydrogen_Bond_Acceptor_Count	2
14510872	Undefined_Bond_Stereo_Count	0
97727	Molecular_Weight	271.8
68490094	Total_Formal_Charge	0
82234717	Exact_Mass	100.063662883
123611	Hydrogen_Bond_Acceptor_Count	52
103446246	Rotatable_Bond_Count	1
21852125	Non-hydrogen_Atom_Count	14
21876618	Molecular_Weight	108.10
443157	Defined_Atom_Stereo_Count	1
122820	Isotope_Atom_Count	0
56668820	Undefined_Atom_Stereo_Count	1
10429215	Defined_Bond_Stereo_Count	0
11643980	Structure_Complexity	72
5350	Hydrogen_Bond_Donor_Count	0
14415253	Undefined_Bond_Stereo_Count	0
5288564	Isotope_Atom_Count	0
70695640	Undefined_Atom_Stereo_Count	1
124524089	TPSA	272
538333	TPSA	26.3
3033832	Covalent_Unit_Count	2
9818903	Undefined_Bond_Stereo_Count	0
68646	Mono_Isotopic_Weight	229.1233420
23533634	Defined_Atom_Stereo_Count	0
45351	Molecular_Weight	277.79
5281068	Tautomer_Count	2
9883149	Hydrogen_Bond_Donor_Count	1
149437349	Undefined_Bond_Stereo_Count	0
141344	Exact_Mass	84.057514874
153085381	Undefined_Bond_Stereo_Count	0
4630	Structure_Complexity	293
97050130	Covalent_Unit_Count	1
135403591	Hydrogen_Bond_Acceptor_Count	3
17961316	TPSA	46.2
14324	Isotope_Atom_Count	0
68975085	Hydrogen_Bond_Donor_Count	2
58325	Rotatable_Bond_Count	4
535722	Hydrogen_Bond_Acceptor_Count	1
12550332	Exact_Mass	101.047678466
153238571	Undefined_Atom_Stereo_Count	2
10355	Defined_Bond_Stereo_Count	0
140751	Hydrogen_Bond_Acceptor_Count	1
14171936	Defined_Atom_Stereo_Count	0
122356	Structure_Complexity	83.1
305444	Undefined_Bond_Stereo_Count	0
129744665	XLogP3-AA	0.1
439778	Defined_Atom_Stereo_Count	0
58453	Hydrogen_Bond_Donor_Count	1
137203329	Non-hydrogen_Atom_Count	13
86252	Exact_Mass	294.1247389
24865390	Total_Formal_Charge	0
3818	Hydrogen_Bond_Donor_Count	3
102334657	XLogP3-AA	4
460129	Defined_Bond_Stereo_Count	0
15778	Defined_Bond_Stereo_Count	0
14049689	Defined_Bond_Stereo_Count	0
96359	Tautomer_Count	1
11455973	Hydrogen_Bond_Acceptor_Count	13
8987	Undefined_Bond_Stereo_Count	0
17913	Total_Formal_Charge	0
81451	Defined_Bond_Stereo_Count	0
8187	Defined_Bond_Stereo_Count	0
297888	TPSA	54.4
16202184	Covalent_Unit_Count	1
1004	Hydrogen_Bond_Donor_Count	3
53262279	Undefined_Bond_Stereo_Count	0
75846	Mono_Isotopic_Weight	220.01289061
58265153	Molecular_Weight	180.16
54688706	Hydrogen_Bond_Acceptor_Count	12
81133	Undefined_Bond_Stereo_Count	0
70276605	Isotope_Atom_Count	0
99143	Hydrogen_Bond_Donor_Count	2
9812772	Hydrogen_Bond_Donor_Count	2
22644568	XLogP3-AA	3.6
3042	XLogP3-AA	5.5
53630039	Hydrogen_Bond_Donor_Count	0
5329103	Covalent_Unit_Count	1
15190	Isotope_Atom_Count	0
66950	TPSA	67.5
175854	Defined_Bond_Stereo_Count	1
590907	Non-hydrogen_Atom_Count	12
455798	Undefined_Atom_Stereo_Count	0
91415017	Total_Formal_Charge	0
6420074	Tautomer_Count	2
23305129	Rotatable_Bond_Count	13
13521	Hydrogen_Bond_Acceptor_Count	4
5648	Undefined_Atom_Stereo_Count	2
80302	Defined_Bond_Stereo_Count	0
2366	Hydrogen_Bond_Donor_Count	1
6082	Defined_Bond_Stereo_Count	0
6916257	Defined_Atom_Stereo_Count	3
447405	Hydrogen_Bond_Acceptor_Count	8
129789506	Total_Formal_Charge	0
446	XLogP3-AA	2.2
67330085	Exact_Mass	526.14461000
9852201	Covalent_Unit_Count	1
134688510	Molecular_Weight	560.6
19782023	Covalent_Unit_Count	1
5174	Structure_Complexity	259
12317612	Mono_Isotopic_Weight	112.052429494
24875318	Rotatable_Bond_Count	6
24848325	Defined_Bond_Stereo_Count	0
91029	Total_Formal_Charge	0
9877608	Isotope_Atom_Count	0
11095	Hydrogen_Bond_Acceptor_Count	6
44017	Mono_Isotopic_Weight	333.081783
83864777	Non-hydrogen_Atom_Count	8
39624	Hydrogen_Bond_Acceptor_Count	3
141395	XLogP3-AA	2.2
11622909	XLogP3-AA	1.4
129664338	Rotatable_Bond_Count	1
3254	Total_Formal_Charge	0
10675	Structure_Complexity	567
37393	Molecular_Weight	500.4
18002315	Isotope_Atom_Count	0
26132	Total_Formal_Charge	0
5458589	Covalent_Unit_Count	2
12628168	Mono_Isotopic_Weight	112.088815002
9823454	XLogP3-AA	4.2
609	Non-hydrogen_Atom_Count	16
53316398	Covalent_Unit_Count	3
1549026	Rotatable_Bond_Count	6
66576989	Covalent_Unit_Count	1
452521	Rotatable_Bond_Count	10
11372	Hydrogen_Bond_Acceptor_Count	0
42051894	Defined_Bond_Stereo_Count	0
79783	Undefined_Atom_Stereo_Count	0
170993	XLogP3-AA	2.4
10391	Rotatable_Bond_Count	4
76968505	Covalent_Unit_Count	2
84130	Defined_Bond_Stereo_Count	0
62752	Tautomer_Count	21
25457	Isotope_Atom_Count	0
10592	Rotatable_Bond_Count	2
67444	Isotope_Atom_Count	0
124094	Exact_Mass	522.12722861
13134933	Molecular_Weight	355.32
403647	Hydrogen_Bond_Donor_Count	1
22450295	Covalent_Unit_Count	1
40704	Non-hydrogen_Atom_Count	32
219050	Exact_Mass	346.204513457
24802025	Hydrogen_Bond_Acceptor_Count	11
19676	Total_Formal_Charge	0
162290	Covalent_Unit_Count	3
133269698	Exact_Mass	342.11621151
85145	Rotatable_Bond_Count	16
7980	Covalent_Unit_Count	1
23260879	Molecular_Weight	106.09
6918537	Exact_Mass	303.19467705
89	Tautomer_Count	21
5610	Defined_Atom_Stereo_Count	0
6875624	TPSA	78.4
53672079	Covalent_Unit_Count	1
61196	Structure_Complexity	164
637796	Undefined_Atom_Stereo_Count	0
135402037	Covalent_Unit_Count	1
58291777	Total_Formal_Charge	0
54236977	Hydrogen_Bond_Acceptor_Count	1
5282182	Hydrogen_Bond_Donor_Count	0
47510	Covalent_Unit_Count	1
57395978	Undefined_Atom_Stereo_Count	1
10253728	Undefined_Atom_Stereo_Count	0
64782	XLogP3	1.7
5283853	Non-hydrogen_Atom_Count	29
102032439	TPSA	68.4
636399	Isotope_Atom_Count	0
67631	TPSA	42.5
55840	Undefined_Atom_Stereo_Count	0
637540	Undefined_Atom_Stereo_Count	0
61908225	Undefined_Atom_Stereo_Count	1
4040	Isotope_Atom_Count	0
74361	Rotatable_Bond_Count	5
11476460	Covalent_Unit_Count	1
25758	Hydrogen_Bond_Donor_Count	1
82148	Defined_Bond_Stereo_Count	0
20526803	Defined_Atom_Stereo_Count	0
7515	Rotatable_Bond_Count	1
65835	Rotatable_Bond_Count	2
10801933	Hydrogen_Bond_Donor_Count	1
904857	Structure_Complexity	343
15056663	Non-hydrogen_Atom_Count	17
559072	Hydrogen_Bond_Donor_Count	0
54500069	Defined_Atom_Stereo_Count	0
77222	Hydrogen_Bond_Donor_Count	1
19352068	Structure_Complexity	45.8
67000	Defined_Atom_Stereo_Count	0
44455701	Hydrogen_Bond_Acceptor_Count	9
13200773	Defined_Atom_Stereo_Count	0
4146595	Undefined_Bond_Stereo_Count	0
53879576	Mono_Isotopic_Weight	101.084063974
16211948	Total_Formal_Charge	0
91235442	Rotatable_Bond_Count	0
50989726	TPSA	26
5963	Undefined_Atom_Stereo_Count	0
20202559	Hydrogen_Bond_Donor_Count	0
424	Covalent_Unit_Count	1
21703573	Undefined_Bond_Stereo_Count	0
5805243	Isotope_Atom_Count	0
21703153	Undefined_Bond_Stereo_Count	0
1457	Isotope_Atom_Count	0
117274708	Molecular_Weight	111.10
21252133	Molecular_Weight	114.19
101924284	Total_Formal_Charge	0
5281969	Defined_Atom_Stereo_Count	0
18372143	Defined_Bond_Stereo_Count	0
91067785	Rotatable_Bond_Count	0
15806	TPSA	49.3
13184281	Non-hydrogen_Atom_Count	8
103563866	Undefined_Bond_Stereo_Count	0
60196275	Hydrogen_Bond_Donor_Count	1
73415816	Rotatable_Bond_Count	6
94335	Total_Formal_Charge	0
54581904	Covalent_Unit_Count	1
62276	Exact_Mass	461.0489140
33874	Covalent_Unit_Count	1
10308720	TPSA	89.6
13625	Hydrogen_Bond_Acceptor_Count	2
606512	Exact_Mass	369.17630742
118984450	Molecular_Weight	5808
95720	TPSA	79.8
22212137	Covalent_Unit_Count	1
138108	Undefined_Atom_Stereo_Count	0
156580481	Defined_Bond_Stereo_Count	0
5245	Exact_Mass	283.00107569
14947257	Structure_Complexity	67.4
3067	Exact_Mass	561.29511936
13855	Defined_Bond_Stereo_Count	0
141697522	Hydrogen_Bond_Acceptor_Count	6
15805370	Undefined_Bond_Stereo_Count	0
68745835	Undefined_Bond_Stereo_Count	0
38876	Structure_Complexity	233
94544	Covalent_Unit_Count	1
77332	Non-hydrogen_Atom_Count	8
220401	TPSA	66
18600	Exact_Mass	458.060754
3424	Defined_Atom_Stereo_Count	0
23310226	Structure_Complexity	306
22754947	Non-hydrogen_Atom_Count	13
3497	Non-hydrogen_Atom_Count	34
101417707	Covalent_Unit_Count	1
5323652	Defined_Bond_Stereo_Count	1
6867	Total_Formal_Charge	0
5318591	Defined_Atom_Stereo_Count	5
20821294	Structure_Complexity	122
67075765	Undefined_Bond_Stereo_Count	0
34767	Molecular_Weight	171.19
3045375	Mono_Isotopic_Weight	448.1553704
13837	Rotatable_Bond_Count	2
12434709	XLogP3-AA	1.1
87401	Total_Formal_Charge	0
72200674	Covalent_Unit_Count	1
16685262	Exact_Mass	57.9999281
60956	Tautomer_Count	1
1204288	Tautomer_Count	3
4538	Undefined_Atom_Stereo_Count	1
2734250	Undefined_Bond_Stereo_Count	0
59750537	Defined_Bond_Stereo_Count	0
71309	Undefined_Atom_Stereo_Count	0
638026	TPSA	29.5
12291486	Molecular_Weight	104.15
89068	Isotope_Atom_Count	0
91932	Defined_Atom_Stereo_Count	0
46173706	Defined_Bond_Stereo_Count	0
6918218	Exact_Mass	397.08313774
18316	Molecular_Weight	254.41
64361	Structure_Complexity	460
20746480	Molecular_Weight	108.10
71985	Structure_Complexity	270
10131132	Undefined_Bond_Stereo_Count	0
8639	Undefined_Atom_Stereo_Count	0
3033867	Defined_Atom_Stereo_Count	4
6918146	Defined_Bond_Stereo_Count	0
15331	Undefined_Bond_Stereo_Count	0
4438	Hydrogen_Bond_Donor_Count	3
94011387	Structure_Complexity	382
31497	Non-hydrogen_Atom_Count	17
136451	Mono_Isotopic_Weight	159.125928785
19370943	Rotatable_Bond_Count	1
16695	Hydrogen_Bond_Acceptor_Count	0
71432895	Hydrogen_Bond_Donor_Count	1
1353	Hydrogen_Bond_Donor_Count	2
53835276	Rotatable_Bond_Count	1
129826870	Hydrogen_Bond_Donor_Count	0
92043320	Molecular_Weight	788.9
160723	Molecular_Weight	246.31
76049	Undefined_Bond_Stereo_Count	1
2782896	Undefined_Bond_Stereo_Count	0
9639	Undefined_Bond_Stereo_Count	0
123167244	Total_Formal_Charge	0
71180	Rotatable_Bond_Count	0
123143	Isotope_Atom_Count	0
12933274	Undefined_Bond_Stereo_Count	0
272696	Structure_Complexity	82.7
11226684	Defined_Atom_Stereo_Count	8
71583494	Defined_Bond_Stereo_Count	0
11676981	XLogP3-AA	1.2
15004699	Defined_Atom_Stereo_Count	0
114750	Isotope_Atom_Count	0
8763	Undefined_Atom_Stereo_Count	0
517106	Undefined_Atom_Stereo_Count	0
92421	Rotatable_Bond_Count	4
158550	Mono_Isotopic_Weight	802.35712773
736	Defined_Atom_Stereo_Count	0
131704481	Molecular_Weight	602.6
5311211	XLogP3-AA	5
146779553	TPSA	0
2734118	Hydrogen_Bond_Acceptor_Count	0
5281616	Isotope_Atom_Count	0
12701395	Hydrogen_Bond_Acceptor_Count	1
124013	Defined_Atom_Stereo_Count	0
589116	Hydrogen_Bond_Acceptor_Count	3
18150	Defined_Atom_Stereo_Count	0
4953	Mono_Isotopic_Weight	334.21440943
71391652	TPSA	35.5
14644797	Defined_Bond_Stereo_Count	0
132274234	Exact_Mass	1608.51510
15546	Molecular_Weight	221.64
65432	Total_Formal_Charge	0
70681777	Undefined_Bond_Stereo_Count	0
941650	Structure_Complexity	711
5361092	Isotope_Atom_Count	0
135398513	Undefined_Bond_Stereo_Count	0
153675783	Hydrogen_Bond_Acceptor_Count	1
6603	Structure_Complexity	131
12207122	Hydrogen_Bond_Donor_Count	1
71751934	Exact_Mass	327.202608250
556306	Non-hydrogen_Atom_Count	8
153834924	Molecular_Weight	98.10
5586	Rotatable_Bond_Count	3
83996	Hydrogen_Bond_Donor_Count	5
131999	Defined_Bond_Stereo_Count	0
11578	Defined_Bond_Stereo_Count	0
60196385	Hydrogen_Bond_Donor_Count	0
584	Defined_Atom_Stereo_Count	0
13738268	Hydrogen_Bond_Donor_Count	0
55291579	Exact_Mass	113.058911855
17321	Covalent_Unit_Count	1
93301	Undefined_Bond_Stereo_Count	0
31260	Hydrogen_Bond_Donor_Count	1
3941	Defined_Atom_Stereo_Count	0
96221	Defined_Bond_Stereo_Count	0
192160	Mono_Isotopic_Weight	342.21949481
3938668	Structure_Complexity	283
12162479	Undefined_Bond_Stereo_Count	0
31393	Exact_Mass	377.786786
21941690	Non-hydrogen_Atom_Count	8
31249	Rotatable_Bond_Count	7
1858	Hydrogen_Bond_Donor_Count	2
20097868	Rotatable_Bond_Count	2
427842	Defined_Bond_Stereo_Count	0
16204922	Mono_Isotopic_Weight	330.08680324
115237	Undefined_Bond_Stereo_Count	0
16213546	Mono_Isotopic_Weight	180.06338810
57398253	Structure_Complexity	663
12541465	Isotope_Atom_Count	0
15765	Hydrogen_Bond_Acceptor_Count	2
11697676	Exact_Mass	430.23687621
59496876	Rotatable_Bond_Count	1
1289	Structure_Complexity	448
57681561	Exact_Mass	393.21781779
20118532	Total_Formal_Charge	0
9432	Hydrogen_Bond_Acceptor_Count	2
6003	Hydrogen_Bond_Donor_Count	0
23102733	Defined_Bond_Stereo_Count	0
20309174	Defined_Bond_Stereo_Count	0
57871279	Undefined_Atom_Stereo_Count	2
10313102	Isotope_Atom_Count	0
4538	Rotatable_Bond_Count	2
119097554	Hydrogen_Bond_Acceptor_Count	1
101171	Exact_Mass	114.068079557
67126	Defined_Bond_Stereo_Count	0
5327150	Structure_Complexity	578
58655	Exact_Mass	277.0748676
64515031	Undefined_Bond_Stereo_Count	0
16219944	Hydrogen_Bond_Donor_Count	5
12190	Molecular_Weight	120.15
16167454	Molecular_Weight	2099.5
75430	Rotatable_Bond_Count	3
7045767	TPSA	66.4
133587580	Hydrogen_Bond_Acceptor_Count	14
23520950	Total_Formal_Charge	0
136219152	XLogP3-AA	4.6
62695	Undefined_Bond_Stereo_Count	0
139758	Covalent_Unit_Count	1
61867	Undefined_Atom_Stereo_Count	0
6456015	Defined_Atom_Stereo_Count	1
10898649	Structure_Complexity	64
163050676	Defined_Atom_Stereo_Count	8
16125	Mono_Isotopic_Weight	175.9795702
3349	Total_Formal_Charge	0
2542	XLogP3-AA	6.3
8718	Molecular_Weight	136.15
47294	TPSA	72.9
9846339	Defined_Atom_Stereo_Count	0
42609610	Covalent_Unit_Count	2
5380	Isotope_Atom_Count	0
31237	Hydrogen_Bond_Donor_Count	0
72704673	Defined_Atom_Stereo_Count	4
24848191	Rotatable_Bond_Count	3
2733293	Non-hydrogen_Atom_Count	7
14962	Defined_Bond_Stereo_Count	0
13398	Exact_Mass	140.120115130
91981561	Defined_Bond_Stereo_Count	0
873450	Hydrogen_Bond_Acceptor_Count	4
49862626	Defined_Bond_Stereo_Count	0
165880629	Mono_Isotopic_Weight	110.048012819
75310475	Isotope_Atom_Count	0
10197842	Mono_Isotopic_Weight	163.06669983
14527402	Hydrogen_Bond_Donor_Count	0
6450806	Hydrogen_Bond_Donor_Count	0
156595906	Defined_Atom_Stereo_Count	12
9520	Non-hydrogen_Atom_Count	10
60155273	Total_Formal_Charge	0
66204	Hydrogen_Bond_Donor_Count	0
52914006	Exact_Mass	468.32395988
9808235	Hydrogen_Bond_Donor_Count	0
83465	Defined_Bond_Stereo_Count	0
94910	Rotatable_Bond_Count	6
11338749	Isotope_Atom_Count	0
69162577	Hydrogen_Bond_Acceptor_Count	3
7772	Mono_Isotopic_Weight	144.115029749
25199580	TPSA	76.6
51256	Non-hydrogen_Atom_Count	21
8742	Rotatable_Bond_Count	1
14012	Molecular_Weight	229.13
117846599	Total_Formal_Charge	0
44395051	Hydrogen_Bond_Donor_Count	2
54746	Rotatable_Bond_Count	8
11397521	TPSA	131
44291156	Total_Formal_Charge	0
59067341	Total_Formal_Charge	0
182362	Rotatable_Bond_Count	1
232326	Structure_Complexity	441
20209436	Covalent_Unit_Count	5
11750474	Exact_Mass	419.04081729
4870	Defined_Atom_Stereo_Count	0
819291	Non-hydrogen_Atom_Count	8
23692128	Total_Formal_Charge	0
139078440	Total_Formal_Charge	0
5284371	Rotatable_Bond_Count	1
75082	Defined_Bond_Stereo_Count	0
5354035	Hydrogen_Bond_Donor_Count	1
550922	Defined_Atom_Stereo_Count	0
3033825	Mono_Isotopic_Weight	280.10725903
208922	Rotatable_Bond_Count	4
71300693	Tautomer_Count	54
4567175	Hydrogen_Bond_Donor_Count	1
25019940	Isotope_Atom_Count	0
71401	Hydrogen_Bond_Acceptor_Count	1
3083540	Molecular_Weight	385.7
12040509	Undefined_Atom_Stereo_Count	0
155144825	Covalent_Unit_Count	1
70690637	Non-hydrogen_Atom_Count	31
181674	Rotatable_Bond_Count	1
54742	Defined_Atom_Stereo_Count	0
70700401	Non-hydrogen_Atom_Count	20
78035	Non-hydrogen_Atom_Count	6
17309	Hydrogen_Bond_Donor_Count	0
18506428	Defined_Bond_Stereo_Count	0
95125	Mono_Isotopic_Weight	284.11609238
147304866	Covalent_Unit_Count	1
20473	Molecular_Weight	196.34
22132384	Isotope_Atom_Count	0
680036	XLogP3-AA	2.7
7520	Undefined_Bond_Stereo_Count	0
22643188	Covalent_Unit_Count	1
36965	Defined_Atom_Stereo_Count	0
17842471	Isotope_Atom_Count	0
550655	Hydrogen_Bond_Donor_Count	0
5310993	Molecular_Weight	154.12
3315	Hydrogen_Bond_Donor_Count	8
32142	Exact_Mass	191.131014166
6950353	Defined_Atom_Stereo_Count	1
443156	Defined_Atom_Stereo_Count	2
84179	Undefined_Bond_Stereo_Count	0
57621	TPSA	49.2
112553	Mono_Isotopic_Weight	168.115029749
117752163	Covalent_Unit_Count	1
58158	Undefined_Atom_Stereo_Count	1
165558	Hydrogen_Bond_Acceptor_Count	12
13649426	Molecular_Weight	248.75
64328	Exact_Mass	248.225248902
70265	Hydrogen_Bond_Donor_Count	2
130515614	TPSA	20.2
192160	Hydrogen_Bond_Acceptor_Count	3
47932	Covalent_Unit_Count	3
675587	Undefined_Atom_Stereo_Count	0
10628031	Hydrogen_Bond_Donor_Count	6
4477	Mono_Isotopic_Weight	325.9861121
15405197	Covalent_Unit_Count	1
9816506	Non-hydrogen_Atom_Count	19
5702628	Total_Formal_Charge	0
101874073	Isotope_Atom_Count	0
155903168	Non-hydrogen_Atom_Count	61
10427712	Exact_Mass	346.11782371
705228	XLogP3-AA	3.4
3430	Isotope_Atom_Count	0
25132953	Rotatable_Bond_Count	4
8491	Defined_Bond_Stereo_Count	0
119716	Exact_Mass	143.167399674
10012220	Total_Formal_Charge	0
10715582	Isotope_Atom_Count	0
44119608	Hydrogen_Bond_Donor_Count	1
79608	Covalent_Unit_Count	1
57156265	Hydrogen_Bond_Acceptor_Count	1
10958914	Isotope_Atom_Count	1
21584147	Mono_Isotopic_Weight	100.063662883
62275	Hydrogen_Bond_Acceptor_Count	4
5280445	Molecular_Weight	286.24
5372405	XLogP3-AA	2.8
21921	Structure_Complexity	6
5746249	Defined_Bond_Stereo_Count	1
643189	Hydrogen_Bond_Acceptor_Count	1
9861780	Hydrogen_Bond_Acceptor_Count	8
2293	Isotope_Atom_Count	0
5499	Defined_Atom_Stereo_Count	0
121207425	TPSA	26.3
119072	Defined_Atom_Stereo_Count	2
5230729	Hydrogen_Bond_Acceptor_Count	1
137909	Defined_Bond_Stereo_Count	0
9887884	Non-hydrogen_Atom_Count	31
51375034	Defined_Bond_Stereo_Count	0
22601	Hydrogen_Bond_Donor_Count	1
24180717	Mono_Isotopic_Weight	412.17869263
156156900	Undefined_Bond_Stereo_Count	0
77152	Exact_Mass	246.06922237
21563	TPSA	32.5
135829641	Mono_Isotopic_Weight	96.068748264
25217563	Undefined_Bond_Stereo_Count	0
17904650	Total_Formal_Charge	0
2455	Molecular_Weight	421.3
6604472	Structure_Complexity	375
12672	TPSA	0
398592	XLogP3-AA	1.2
129628397	TPSA	154
543587	Rotatable_Bond_Count	12
17997105	Defined_Atom_Stereo_Count	0
54525629	Undefined_Bond_Stereo_Count	0
11647679	Defined_Atom_Stereo_Count	0
14944610	Mono_Isotopic_Weight	120.078644241
83909	XLogP3	3
65844	Isotope_Atom_Count	0
13144653	XLogP3-AA	0.4
24974448	Mono_Isotopic_Weight	95.037113783
29656	Non-hydrogen_Atom_Count	7
4560	TPSA	20.2
86278348	Rotatable_Bond_Count	11
88705	XLogP3-AA	2.4
5479527	Defined_Bond_Stereo_Count	1
15438	Covalent_Unit_Count	1
71587288	Hydrogen_Bond_Donor_Count	1
11480420	Mono_Isotopic_Weight	112.063662883
542338	Mono_Isotopic_Weight	100.088815002
158980	Hydrogen_Bond_Donor_Count	2
54107	Defined_Bond_Stereo_Count	0
88209	Exact_Mass	203.9744848
77903	Molecular_Weight	276.4
10148984	Non-hydrogen_Atom_Count	5
13611196	Covalent_Unit_Count	1
3084169	Defined_Bond_Stereo_Count	0
165637859	Molecular_Weight	112.13
6757	Covalent_Unit_Count	1
9219	Molecular_Weight	118.14
5818	Hydrogen_Bond_Acceptor_Count	2
17963227	Hydrogen_Bond_Acceptor_Count	5
688311	Molecular_Weight	245.04
22320095	Structure_Complexity	83
57416910	Hydrogen_Bond_Donor_Count	0
4349	Molecular_Weight	467.6
10285780	Total_Formal_Charge	0
3079842	Isotope_Atom_Count	0
99404	Hydrogen_Bond_Acceptor_Count	1
224392	Defined_Bond_Stereo_Count	0
50163	Defined_Bond_Stereo_Count	0
12434511	Hydrogen_Bond_Donor_Count	0
443297	Tautomer_Count	1
12336279	Hydrogen_Bond_Donor_Count	1
22472382	Structure_Complexity	135
22227744	Molecular_Weight	161.23
23385871	Covalent_Unit_Count	1
20055408	Defined_Bond_Stereo_Count	0
14385	Undefined_Atom_Stereo_Count	0
19657	Molecular_Weight	216.20
10325129	Defined_Bond_Stereo_Count	0
11527635	Non-hydrogen_Atom_Count	47
12385068	Hydrogen_Bond_Donor_Count	0
54404212	Covalent_Unit_Count	1
25526	XLogP3-AA	4.2
1702	Undefined_Atom_Stereo_Count	0
11773081	Hydrogen_Bond_Acceptor_Count	4
67242154	Non-hydrogen_Atom_Count	8
22097456	Total_Formal_Charge	0
15660	Mono_Isotopic_Weight	210.209598838
449424	Defined_Bond_Stereo_Count	0
163201191	TPSA	21.6
2737121	Defined_Bond_Stereo_Count	0
1205040	Total_Formal_Charge	0
28876	Structure_Complexity	363
5702599	Total_Formal_Charge	0
135686255	Structure_Complexity	342
46936357	Molecular_Weight	632.6
415868	Undefined_Atom_Stereo_Count	2
11908450	Non-hydrogen_Atom_Count	23
7584	TPSA	20.2
6432238	Exact_Mass	49.99680632
94175	Molecular_Weight	324.4
57398260	Exact_Mass	526.16617453
118318030	Non-hydrogen_Atom_Count	36
6458	Hydrogen_Bond_Donor_Count	0
121235738	Non-hydrogen_Atom_Count	14
26470411	Total_Formal_Charge	0
135019886	Isotope_Atom_Count	0
9840857	Total_Formal_Charge	0
9928397	Hydrogen_Bond_Donor_Count	1
3464	Structure_Complexity	265
53320156	Covalent_Unit_Count	1
2898	XLogP3-AA	5.5
5326971	Mono_Isotopic_Weight	529.20066941
12298	Covalent_Unit_Count	1
210739	Rotatable_Bond_Count	2
16760569	Non-hydrogen_Atom_Count	35
5311130	Covalent_Unit_Count	1
541483	Hydrogen_Bond_Acceptor_Count	1
6852167	Tautomer_Count	5
13348970	Structure_Complexity	66.7
971	TPSA	74.6
72257	Covalent_Unit_Count	1
36821	Rotatable_Bond_Count	2
51763	Defined_Bond_Stereo_Count	0
15664	Structure_Complexity	161
3266	Non-hydrogen_Atom_Count	24
53940530	Hydrogen_Bond_Acceptor_Count	2
18715987	Rotatable_Bond_Count	3
5463411	Total_Formal_Charge	0
82175	XLogP3-AA	4.8
24847884	Molecular_Weight	573.7
164026416	Hydrogen_Bond_Donor_Count	0
77611871	Non-hydrogen_Atom_Count	8
372	Structure_Complexity	348
92873	XLogP3-AA	7.6
86956	Isotope_Atom_Count	0
83674	Mono_Isotopic_Weight	169.90096141
3034023	XLogP3-AA	3.4
2752638	Defined_Bond_Stereo_Count	0
17825297	Defined_Bond_Stereo_Count	0
16754849	Undefined_Bond_Stereo_Count	0
369373	Hydrogen_Bond_Donor_Count	4
71157	Hydrogen_Bond_Acceptor_Count	2
81261	Isotope_Atom_Count	0
87704872	Undefined_Atom_Stereo_Count	1
10125362	Rotatable_Bond_Count	7
90713931	Structure_Complexity	2330
16270	Rotatable_Bond_Count	2
3418	Total_Formal_Charge	0
87110828	Isotope_Atom_Count	0
13184	Covalent_Unit_Count	1
78205	Covalent_Unit_Count	1
5639	Hydrogen_Bond_Donor_Count	1
32040	Exact_Mass	157.110278721
20072996	Undefined_Bond_Stereo_Count	0
35763	Non-hydrogen_Atom_Count	11
53238011	Defined_Atom_Stereo_Count	0
68736	Non-hydrogen_Atom_Count	14
86076207	Structure_Complexity	325
4811	Defined_Bond_Stereo_Count	0
57265913	TPSA	17.1
334	Non-hydrogen_Atom_Count	29
91414	Undefined_Atom_Stereo_Count	0
11102	Rotatable_Bond_Count	22
4583497	Hydrogen_Bond_Donor_Count	2
18170	Mono_Isotopic_Weight	149.02992040
71571522	Defined_Bond_Stereo_Count	0
65708	Covalent_Unit_Count	1
53317121	Covalent_Unit_Count	1
44454985	Non-hydrogen_Atom_Count	30
68940	Isotope_Atom_Count	0
49142	Undefined_Bond_Stereo_Count	0
2442	Isotope_Atom_Count	0
9839581	Total_Formal_Charge	0
6538	Structure_Complexity	255
71745	Hydrogen_Bond_Donor_Count	2
14740383	Hydrogen_Bond_Donor_Count	0
11088	Non-hydrogen_Atom_Count	24
612	Tautomer_Count	1
48955	Hydrogen_Bond_Donor_Count	0
549240	TPSA	21.9
1549992	Tautomer_Count	1
42645	Defined_Bond_Stereo_Count	0
64423	Structure_Complexity	365
7398	Undefined_Atom_Stereo_Count	0
10154203	Defined_Bond_Stereo_Count	0
54892	Isotope_Atom_Count	0
16480	Structure_Complexity	146
137264	Defined_Bond_Stereo_Count	0
99748	Defined_Atom_Stereo_Count	0
50989726	Mono_Isotopic_Weight	97.089149355
5940153	Undefined_Bond_Stereo_Count	0
1422	Defined_Atom_Stereo_Count	0
17163	XLogP3-AA	5.4
9396	Hydrogen_Bond_Donor_Count	0
120737	Molecular_Weight	297.82
17028077	Hydrogen_Bond_Acceptor_Count	3
17804394	Structure_Complexity	76.8
57384040	Defined_Atom_Stereo_Count	0
135522261	Covalent_Unit_Count	1
10292887	Hydrogen_Bond_Acceptor_Count	6
10785	Defined_Atom_Stereo_Count	0
129852933	Non-hydrogen_Atom_Count	19
16665100	Exact_Mass	461.23145648
68520833	Hydrogen_Bond_Acceptor_Count	4
12671690	Total_Formal_Charge	0
8085	Defined_Bond_Stereo_Count	0
83335	Tautomer_Count	1
90941530	Undefined_Bond_Stereo_Count	0
65815658	Exact_Mass	115.026943022
21864560	Structure_Complexity	1930
2724235	Defined_Bond_Stereo_Count	0
5084	Mono_Isotopic_Weight	452.22122615
23080446	Undefined_Bond_Stereo_Count	0
53384398	Covalent_Unit_Count	1
18484	Mono_Isotopic_Weight	290.17944152
70789955	Molecular_Weight	406.9
25015694	Hydrogen_Bond_Acceptor_Count	8
70694392	Mono_Isotopic_Weight	329.09241742
610072	Undefined_Bond_Stereo_Count	0
6950337	XLogP3	1.3
52	Mono_Isotopic_Weight	867.16763975
33263	Hydrogen_Bond_Donor_Count	1
86673	Total_Formal_Charge	0
12524	Structure_Complexity	41.5
22602645	Structure_Complexity	92.5
9960389	Molecular_Weight	603.1
79161	Undefined_Atom_Stereo_Count	0
223441	TPSA	54.5
6363	Total_Formal_Charge	0
445638	Total_Formal_Charge	0
11587639	TPSA	56.6
12498	Defined_Bond_Stereo_Count	0
92515	Isotope_Atom_Count	0
688107	Mono_Isotopic_Weight	226.9985354
137948991	TPSA	42
135985157	Defined_Bond_Stereo_Count	0
81713	Defined_Bond_Stereo_Count	0
643968	Mono_Isotopic_Weight	246.06519962
145971	Isotope_Atom_Count	0
54682651	TPSA	63.6
131673845	TPSA	726
151117	Hydrogen_Bond_Acceptor_Count	7
1269845	Total_Formal_Charge	0
5312108	Mono_Isotopic_Weight	821.075439
10153996	TPSA	24.6
134688043	Total_Formal_Charge	0
61274	Defined_Atom_Stereo_Count	0
5282175	Non-hydrogen_Atom_Count	30
23675622	Tautomer_Count	12
2733660	Hydrogen_Bond_Donor_Count	0
13932052	Isotope_Atom_Count	0
82730	Rotatable_Bond_Count	3
170364	Total_Formal_Charge	0
162148	Rotatable_Bond_Count	2
4231972	Molecular_Weight	110.11
11095	Mono_Isotopic_Weight	288.06338810
57829	Hydrogen_Bond_Acceptor_Count	1
6537201	Isotope_Atom_Count	0
13133780	Undefined_Atom_Stereo_Count	1
5610	XLogP3	1.1
142403638	TPSA	44
16219102	Isotope_Atom_Count	0
56841975	Non-hydrogen_Atom_Count	23
71206	Defined_Atom_Stereo_Count	7
6433095	Isotope_Atom_Count	0
53346589	Covalent_Unit_Count	1
22833502	Total_Formal_Charge	0
7618	Covalent_Unit_Count	1
12813	TPSA	26.3
10032582	Undefined_Atom_Stereo_Count	0
132804	Isotope_Atom_Count	0
171075	Exact_Mass	244.0767261
25887	Isotope_Atom_Count	0
20038	XLogP3	3
42645244	Molecular_Weight	477.6
43312181	Hydrogen_Bond_Donor_Count	1
26859	Covalent_Unit_Count	1
20680013	Defined_Atom_Stereo_Count	0
1342	Structure_Complexity	223
20342	Undefined_Atom_Stereo_Count	1
101755686	Mono_Isotopic_Weight	977.52483213
41376	Undefined_Bond_Stereo_Count	0
51346808	XLogP3-AA	3
10100	Structure_Complexity	397
4377949	Tautomer_Count	1
67085	Hydrogen_Bond_Acceptor_Count	2
57190391	Isotope_Atom_Count	7
79483	Undefined_Bond_Stereo_Count	0
6649	Hydrogen_Bond_Donor_Count	4
5463854	Total_Formal_Charge	0
22386601	Undefined_Bond_Stereo_Count	0
260716	Non-hydrogen_Atom_Count	8
87074	Non-hydrogen_Atom_Count	8
193720	Undefined_Bond_Stereo_Count	0
217409	XLogP3	2.3
70949	Tautomer_Count	9
163878463	Exact_Mass	109.052763847
59483380	Undefined_Atom_Stereo_Count	1
26108	Covalent_Unit_Count	3
81151	Exact_Mass	89.047678466
11676068	Mono_Isotopic_Weight	417.1607901
23625548	Undefined_Atom_Stereo_Count	0
43838	Isotope_Atom_Count	0
6064	Structure_Complexity	875
11976366	Defined_Atom_Stereo_Count	0
15541	Covalent_Unit_Count	1
8046	Mono_Isotopic_Weight	314.24570956
18055	Structure_Complexity	102
552549	Covalent_Unit_Count	1
14753032	Mono_Isotopic_Weight	546.19369124
71785	Mono_Isotopic_Weight	313.215412493
135476260	Non-hydrogen_Atom_Count	32
37034	Defined_Bond_Stereo_Count	0
3246155	Structure_Complexity	433
101042985	Hydrogen_Bond_Acceptor_Count	3
6259976	TPSA	26.3
18381089	Undefined_Bond_Stereo_Count	0
2724368	Molecular_Weight	175.12
21566834	Undefined_Atom_Stereo_Count	0
54106053	Molecular_Weight	114.14
65960	Non-hydrogen_Atom_Count	18
170832	Undefined_Bond_Stereo_Count	0
12298391	Structure_Complexity	122
3047787	Non-hydrogen_Atom_Count	25
12363650	TPSA	55.4
8222	Molecular_Weight	282.5
87985	TPSA	26.3
87367	Hydrogen_Bond_Acceptor_Count	5
56834578	Covalent_Unit_Count	1
3174	Defined_Bond_Stereo_Count	0
9864881	Defined_Bond_Stereo_Count	1
73386890	Total_Formal_Charge	0
20281045	Hydrogen_Bond_Donor_Count	0
50997747	Molecular_Weight	380.4
14816327	Undefined_Bond_Stereo_Count	0
136892	Tautomer_Count	2
96302	Covalent_Unit_Count	1
67948733	Rotatable_Bond_Count	3
650960	Non-hydrogen_Atom_Count	34
97698	Non-hydrogen_Atom_Count	14
8122	Exact_Mass	312.302830514
595926	Covalent_Unit_Count	1
46863	Mono_Isotopic_Weight	234.961448
15442	Rotatable_Bond_Count	1
2734167	Exact_Mass	188.1080262
11543746	XLogP3-AA	2.3
3827	TPSA	48.6
398737	Molecular_Weight	284.40
50925625	Undefined_Bond_Stereo_Count	0
599239	Non-hydrogen_Atom_Count	18
10178	Total_Formal_Charge	0
1498	Undefined_Atom_Stereo_Count	0
77314383	TPSA	9.2
9954410	Hydrogen_Bond_Donor_Count	1
81416328	Mono_Isotopic_Weight	114.104465066
153791162	Hydrogen_Bond_Acceptor_Count	3
449171	XLogP3	6.3
2698	Isotope_Atom_Count	0
310360	TPSA	110
15951488	Non-hydrogen_Atom_Count	26
183812	Defined_Bond_Stereo_Count	0
68583	Molecular_Weight	505.7
79441	Covalent_Unit_Count	1
17074527	Defined_Atom_Stereo_Count	0
3025721	Exact_Mass	222.079312947
137701808	Covalent_Unit_Count	1
12842600	Rotatable_Bond_Count	2
16217806	Defined_Atom_Stereo_Count	1
11228764	Defined_Bond_Stereo_Count	0
18622370	Undefined_Atom_Stereo_Count	0
63198	Structure_Complexity	344
215932	Hydrogen_Bond_Acceptor_Count	4
63009	Non-hydrogen_Atom_Count	21
2734225	Molecular_Weight	258.83
9846078	Exact_Mass	440.17360725
4250936	XLogP3-AA	1
87280025	XLogP3-AA	0
141959525	Hydrogen_Bond_Acceptor_Count	1
83403	Defined_Bond_Stereo_Count	0
35330	Defined_Bond_Stereo_Count	0
6884	Tautomer_Count	1
428745	Rotatable_Bond_Count	0
242515	Tautomer_Count	1
138113391	Structure_Complexity	1830
156284	Defined_Atom_Stereo_Count	3
146156212	Hydrogen_Bond_Acceptor_Count	7
65622	TPSA	130
55287853	Rotatable_Bond_Count	2
24900813	Hydrogen_Bond_Donor_Count	5
60196305	Structure_Complexity	533
129680429	Non-hydrogen_Atom_Count	21
3033988	Hydrogen_Bond_Donor_Count	0
6433620	Mono_Isotopic_Weight	388.215078140
1918	Defined_Atom_Stereo_Count	0
5152	Undefined_Atom_Stereo_Count	1
62398142	Hydrogen_Bond_Donor_Count	1
213049	Molecular_Weight	465.4
127000832	Total_Formal_Charge	0
51381	Undefined_Atom_Stereo_Count	0
71916	Hydrogen_Bond_Donor_Count	3
57401194	TPSA	73.5
45356872	Defined_Bond_Stereo_Count	0
90993	Undefined_Bond_Stereo_Count	0
217048	Undefined_Atom_Stereo_Count	0
543879	Hydrogen_Bond_Acceptor_Count	1
20435525	Hydrogen_Bond_Donor_Count	0
88191	Isotope_Atom_Count	0
61341	TPSA	30.2
448702	Non-hydrogen_Atom_Count	12
7048707	Hydrogen_Bond_Acceptor_Count	2
24824	Rotatable_Bond_Count	0
141427445	Hydrogen_Bond_Donor_Count	0
104838	Isotope_Atom_Count	0
66587064	Hydrogen_Bond_Donor_Count	2
5321765	Exact_Mass	338.15180918
136146352	Covalent_Unit_Count	8
21798	Defined_Bond_Stereo_Count	0
62413	Tautomer_Count	1
7014	Undefined_Bond_Stereo_Count	0
743295	Non-hydrogen_Atom_Count	18
42580057	Non-hydrogen_Atom_Count	23
5497195	Defined_Atom_Stereo_Count	2
8408	Defined_Bond_Stereo_Count	0
17816	Covalent_Unit_Count	1
25015694	Non-hydrogen_Atom_Count	36
162681	TPSA	99.1
28931	Undefined_Atom_Stereo_Count	1
19078651	Hydrogen_Bond_Donor_Count	1
54344827	Defined_Bond_Stereo_Count	0
715567	Exact_Mass	285.12996879
60156	Exact_Mass	303.0120774
128919	Tautomer_Count	5
91358778	Hydrogen_Bond_Acceptor_Count	0
11116296	Isotope_Atom_Count	0
107647	Rotatable_Bond_Count	5
989	Undefined_Bond_Stereo_Count	0
182420	Tautomer_Count	1
122224053	Hydrogen_Bond_Acceptor_Count	2
16278	Rotatable_Bond_Count	2
56663238	Non-hydrogen_Atom_Count	31
23665728	Defined_Atom_Stereo_Count	0
5373773	Mono_Isotopic_Weight	250.12050905
7260	TPSA	26
1550888	Rotatable_Bond_Count	6
2723770	Undefined_Atom_Stereo_Count	0
5600	Rotatable_Bond_Count	26
16049026	Rotatable_Bond_Count	13
456	Undefined_Atom_Stereo_Count	0
28754	Tautomer_Count	1
41870	Molecular_Weight	280.28
165906267	Defined_Atom_Stereo_Count	0
638026	Undefined_Atom_Stereo_Count	0
158144361	Covalent_Unit_Count	1
22382373	TPSA	26.3
78031	Undefined_Atom_Stereo_Count	0
443131	Rotatable_Bond_Count	2
135398508	Defined_Bond_Stereo_Count	0
24763119	Non-hydrogen_Atom_Count	25
25953	Defined_Bond_Stereo_Count	0
1153	TPSA	83.6
119054	Hydrogen_Bond_Acceptor_Count	5
55290587	XLogP3-AA	0.6
91370278	Exact_Mass	94.078250319
133268492	Exact_Mass	733.52411623
2966	Hydrogen_Bond_Donor_Count	2
13163973	Rotatable_Bond_Count	1
8914	Covalent_Unit_Count	1
3378440	TPSA	166
64421	Defined_Bond_Stereo_Count	0
4243	Undefined_Atom_Stereo_Count	17
3081276	Defined_Atom_Stereo_Count	7
11499	Defined_Atom_Stereo_Count	0
85294873	Hydrogen_Bond_Acceptor_Count	2
11569158	Hydrogen_Bond_Donor_Count	1
25162926	Undefined_Atom_Stereo_Count	0
62956	Undefined_Atom_Stereo_Count	0
135438121	TPSA	50.7
50543	Covalent_Unit_Count	1
517277	Rotatable_Bond_Count	0
92253	Structure_Complexity	321
6429604	Covalent_Unit_Count	1
20146588	Undefined_Atom_Stereo_Count	0
3032537	Hydrogen_Bond_Donor_Count	2
12704941	Covalent_Unit_Count	1
77907	Rotatable_Bond_Count	2
86595083	Isotope_Atom_Count	0
15383909	Defined_Atom_Stereo_Count	14
173411	Defined_Atom_Stereo_Count	0
93702	Hydrogen_Bond_Acceptor_Count	16
10898638	Exact_Mass	84.057514874
87380	Defined_Bond_Stereo_Count	0
6440554	Structure_Complexity	736
81512	Structure_Complexity	65.1
131801471	Non-hydrogen_Atom_Count	457
409350	Covalent_Unit_Count	1
15295	Exact_Mass	158.01328108
168908	Hydrogen_Bond_Acceptor_Count	6
22206	Hydrogen_Bond_Donor_Count	2
67678949	TPSA	18.5
97012113	Undefined_Atom_Stereo_Count	0
43471	Non-hydrogen_Atom_Count	12
64040	Covalent_Unit_Count	1
5280723	XLogP3	3.2
16421	TPSA	96.4
9212	Total_Formal_Charge	0
20772203	TPSA	41.5
23677960	TPSA	81.6
447	Undefined_Atom_Stereo_Count	0
1443	Structure_Complexity	428
139584807	Defined_Bond_Stereo_Count	1
27822	Mono_Isotopic_Weight	158.141913202
33068	Hydrogen_Bond_Donor_Count	1
80694	Undefined_Bond_Stereo_Count	0
68499424	Non-hydrogen_Atom_Count	7
16133802	Hydrogen_Bond_Acceptor_Count	41
66615270	Undefined_Atom_Stereo_Count	0
21979976	Total_Formal_Charge	0
11497836	Total_Formal_Charge	0
10097082	XLogP3-AA	2.2
40684	Isotope_Atom_Count	0
12529	Structure_Complexity	52.5
25306	Isotope_Atom_Count	0
316473	Isotope_Atom_Count	0
46900403	Molecular_Weight	351.4
19793984	Defined_Bond_Stereo_Count	0
10440976	Molecular_Weight	983.1
8661	Exact_Mass	566.11412077
125556	Total_Formal_Charge	0
5387838	Defined_Atom_Stereo_Count	0
6436633	Tautomer_Count	1
701038	Non-hydrogen_Atom_Count	19
24760653	Hydrogen_Bond_Acceptor_Count	6
24838350	Undefined_Atom_Stereo_Count	1
987	Rotatable_Bond_Count	10
135450598	Molecular_Weight	537.21
54303	Total_Formal_Charge	0
62876	Mono_Isotopic_Weight	222.161979940
76487	Hydrogen_Bond_Acceptor_Count	5
11116020	Exact_Mass	113.047678466
89508157	Covalent_Unit_Count	1
5351197	Undefined_Bond_Stereo_Count	0
4876	Covalent_Unit_Count	1
15071968	Exact_Mass	100.052429494
825229	TPSA	116
46856306	Hydrogen_Bond_Donor_Count	3
55290736	Undefined_Bond_Stereo_Count	0
61529	Hydrogen_Bond_Donor_Count	1
16787580	Defined_Bond_Stereo_Count	0
153534619	Hydrogen_Bond_Acceptor_Count	2
225564	TPSA	20.2
45073462	Rotatable_Bond_Count	4
135402338	Isotope_Atom_Count	0
34173590	Covalent_Unit_Count	1
15365	Tautomer_Count	1
132279500	Structure_Complexity	99.2
133268468	Undefined_Bond_Stereo_Count	0
2135	Mono_Isotopic_Weight	202.098037015
87900	Defined_Bond_Stereo_Count	0
15510	Defined_Atom_Stereo_Count	0
398593	Exact_Mass	293.14666
121891	Undefined_Atom_Stereo_Count	0
132252	Molecular_Weight	384.2
5603	Exact_Mass	115.136099547
11634645	Structure_Complexity	643
15150444	Undefined_Atom_Stereo_Count	0
6537099	Covalent_Unit_Count	1
12118	Mono_Isotopic_Weight	191.131014166
534114	Molecular_Weight	98.10
17050	Molecular_Weight	171.24
2649	Defined_Atom_Stereo_Count	0
137017	Isotope_Atom_Count	0
5358907	Exact_Mass	354.15795719
85689	Undefined_Bond_Stereo_Count	0
94381	Defined_Bond_Stereo_Count	0
78035	Mono_Isotopic_Weight	83.048347172
101333850	Non-hydrogen_Atom_Count	10
10654193	Hydrogen_Bond_Acceptor_Count	2
54234	Defined_Bond_Stereo_Count	0
56680336	Hydrogen_Bond_Acceptor_Count	8
98559	Non-hydrogen_Atom_Count	21
10029970	Isotope_Atom_Count	0
12213229	Undefined_Atom_Stereo_Count	0
588352	Non-hydrogen_Atom_Count	18
5479537	Covalent_Unit_Count	1
11992	Defined_Atom_Stereo_Count	0
10340798	Undefined_Atom_Stereo_Count	0
85335	Isotope_Atom_Count	0
11225102	Mono_Isotopic_Weight	466.30562448
201990	Molecular_Weight	110.16
9548661	Defined_Atom_Stereo_Count	10
66062	Molecular_Weight	407.0
69488026	Hydrogen_Bond_Donor_Count	0
11007849	Molecular_Weight	112.17
129711656	Non-hydrogen_Atom_Count	14
71141	Non-hydrogen_Atom_Count	33
12296	Undefined_Bond_Stereo_Count	0
65700	Undefined_Atom_Stereo_Count	1
590908	Total_Formal_Charge	0
71624688	Total_Formal_Charge	0
136394	Covalent_Unit_Count	1
7822	Exact_Mass	128.120115130
56634286	Non-hydrogen_Atom_Count	8
71849	Covalent_Unit_Count	3
53316386	Undefined_Bond_Stereo_Count	0
11454	Undefined_Atom_Stereo_Count	1
443101	Non-hydrogen_Atom_Count	34
119175	Isotope_Atom_Count	0
2622	Tautomer_Count	14
6413	Isotope_Atom_Count	0
46780441	Molecular_Weight	180.16
70694239	XLogP3-AA	2.9
87105125	Hydrogen_Bond_Acceptor_Count	2
80278	Defined_Bond_Stereo_Count	0
91596	Tautomer_Count	2
15568	Defined_Bond_Stereo_Count	0
44400351	Structure_Complexity	410
1774	Covalent_Unit_Count	1
50989726	Isotope_Atom_Count	0
24843	Mono_Isotopic_Weight	246.0107241
44395117	Non-hydrogen_Atom_Count	31
74981	Undefined_Atom_Stereo_Count	0
46841499	Undefined_Bond_Stereo_Count	0
6659	Structure_Complexity	97.9
10340	TPSA	63.2
14440442	Exact_Mass	100.03851076
119033	Undefined_Atom_Stereo_Count	0
443944	Defined_Atom_Stereo_Count	4
57330203	Isotope_Atom_Count	0
5359484	TPSA	88.8
73958	Mono_Isotopic_Weight	110.073164938
18618975	Non-hydrogen_Atom_Count	8
140519105	Mono_Isotopic_Weight	97.063997236
44630020	Rotatable_Bond_Count	11
5411	Hydrogen_Bond_Acceptor_Count	4
104748	Hydrogen_Bond_Acceptor_Count	4
127382	Undefined_Atom_Stereo_Count	0
9019	Hydrogen_Bond_Donor_Count	0
44590403	Covalent_Unit_Count	1
98685	Mono_Isotopic_Weight	240.126263138
44590445	Undefined_Bond_Stereo_Count	0
6424	Molecular_Weight	310.81
7852	Structure_Complexity	7.2
5359464	Exact_Mass	204.97443
3019670	Rotatable_Bond_Count	2
85774373	Exact_Mass	112.088815002
13181	Rotatable_Bond_Count	3
86472	Exact_Mass	472.39164552
57393918	Rotatable_Bond_Count	4
11455973	Structure_Complexity	839
446541	Defined_Bond_Stereo_Count	1
7525	XLogP3	0
101616201	Defined_Bond_Stereo_Count	0
8917	Covalent_Unit_Count	1
129627734	Defined_Atom_Stereo_Count	17
773938	Hydrogen_Bond_Acceptor_Count	4
11188898	Hydrogen_Bond_Acceptor_Count	6
92028754	Exact_Mass	69.9665510
15773	Tautomer_Count	1
86999	Isotope_Atom_Count	0
23618032	Tautomer_Count	2
16213460	Hydrogen_Bond_Acceptor_Count	4
27596	Undefined_Bond_Stereo_Count	0
62871	Undefined_Atom_Stereo_Count	0
17892701	Defined_Atom_Stereo_Count	0
11826859	Covalent_Unit_Count	1
57131886	Structure_Complexity	84.4
21702736	Undefined_Bond_Stereo_Count	0
58407	Rotatable_Bond_Count	9
202	Defined_Bond_Stereo_Count	0
11281445	Rotatable_Bond_Count	7
92965	Isotope_Atom_Count	0
7409	Exact_Mass	122.073164938
3086455	Defined_Bond_Stereo_Count	0
97994	XLogP3-AA	2.9
41212	Total_Formal_Charge	0
1044	Undefined_Atom_Stereo_Count	0
2760056	Total_Formal_Charge	0
135410344	Hydrogen_Bond_Acceptor_Count	6
8557	Defined_Atom_Stereo_Count	0
23677960	Rotatable_Bond_Count	1
72023	Rotatable_Bond_Count	6
9279	Defined_Atom_Stereo_Count	0
24759314	Defined_Bond_Stereo_Count	0
131704233	Exact_Mass	263.129694
22628	XLogP3-AA	2.2
15983287	Defined_Bond_Stereo_Count	0
12268623	Mono_Isotopic_Weight	106.053098200
14106	Isotope_Atom_Count	0
6432095	Total_Formal_Charge	0
542420	TPSA	38
5280644	Undefined_Bond_Stereo_Count	0
5284587	Rotatable_Bond_Count	2
135191	Defined_Bond_Stereo_Count	0
54120934	Structure_Complexity	67.2
108313	Hydrogen_Bond_Donor_Count	0
59791	Total_Formal_Charge	0
2565	Molecular_Weight	477.6
21685	TPSA	20.2
79048	Undefined_Bond_Stereo_Count	1
5311055	Hydrogen_Bond_Acceptor_Count	3
20838085	Hydrogen_Bond_Donor_Count	3
4580	Structure_Complexity	608
45256107	Defined_Atom_Stereo_Count	0
76716	Undefined_Bond_Stereo_Count	0
12884652	Rotatable_Bond_Count	1
13786729	Non-hydrogen_Atom_Count	8
60823	Total_Formal_Charge	0
118513932	Non-hydrogen_Atom_Count	30
48670	XLogP3-AA	0.5
104556	Mono_Isotopic_Weight	219.15829154
20728717	Covalent_Unit_Count	1
139087394	Mono_Isotopic_Weight	492.18479
10090750	Exact_Mass	373.204179104
163957061	Defined_Atom_Stereo_Count	0
563049	Hydrogen_Bond_Acceptor_Count	6
4059	Non-hydrogen_Atom_Count	13
11375816	Defined_Bond_Stereo_Count	0
8438	Mono_Isotopic_Weight	150.031694049
59966627	Undefined_Bond_Stereo_Count	0
59059041	Non-hydrogen_Atom_Count	8
74080	Defined_Bond_Stereo_Count	0
78521	Mono_Isotopic_Weight	339.0444402
106228050	Defined_Atom_Stereo_Count	0
70691486	Undefined_Atom_Stereo_Count	0
89669330	Structure_Complexity	382
13315542	XLogP3-AA	3.1
63419	Covalent_Unit_Count	1
12021	Mono_Isotopic_Weight	90.031694049
42231	Undefined_Bond_Stereo_Count	0
129858712	Defined_Bond_Stereo_Count	0
84078	Rotatable_Bond_Count	8
12206	Defined_Bond_Stereo_Count	0
535	Covalent_Unit_Count	1
91758680	Rotatable_Bond_Count	2
54236977	Total_Formal_Charge	0
45266646	Defined_Atom_Stereo_Count	8
5452	Structure_Complexity	432
71116366	Mono_Isotopic_Weight	574.17985270
60165656	XLogP3-AA	3
3331	Hydrogen_Bond_Acceptor_Count	4
3365553	Molecular_Weight	87.12
17684448	Structure_Complexity	279
14121451	XLogP3-AA	0
156970	Hydrogen_Bond_Donor_Count	0
12454	Tautomer_Count	1
58701785	Hydrogen_Bond_Acceptor_Count	8
139059561	Structure_Complexity	160
89590	XLogP3	1.4
6154037	Tautomer_Count	2
2724163	Non-hydrogen_Atom_Count	26
101926676	Molecular_Weight	332.31
9839657	Rotatable_Bond_Count	3
10796706	Rotatable_Bond_Count	2
10027822	Exact_Mass	473.18383758
7149	Non-hydrogen_Atom_Count	10
54316592	Hydrogen_Bond_Acceptor_Count	1
10129928	Covalent_Unit_Count	1
5	Hydrogen_Bond_Donor_Count	3
4592	Defined_Atom_Stereo_Count	0
11600642	Rotatable_Bond_Count	3
23666110	Exact_Mass	672.7720
9082	Isotope_Atom_Count	0
23892	Defined_Bond_Stereo_Count	0
12714402	Undefined_Atom_Stereo_Count	1
3467	Molecular_Weight	477.6
688451	Non-hydrogen_Atom_Count	17
11552706	Rotatable_Bond_Count	6
60207207	Undefined_Bond_Stereo_Count	0
2303	Undefined_Atom_Stereo_Count	1
439371	Undefined_Bond_Stereo_Count	0
2306	Isotope_Atom_Count	0
22061818	TPSA	52.9
25271812	Hydrogen_Bond_Acceptor_Count	2
21490213	Covalent_Unit_Count	1
57399142	Isotope_Atom_Count	0
58095446	Covalent_Unit_Count	1
2590	Total_Formal_Charge	0
439358	Defined_Bond_Stereo_Count	0
639662	Molecular_Weight	98.19
712078	Hydrogen_Bond_Acceptor_Count	4
5370664	XLogP3	1
20387223	Non-hydrogen_Atom_Count	7
201	Structure_Complexity	1160
129307545	Total_Formal_Charge	0
7092657	TPSA	37.3
5702214	Undefined_Bond_Stereo_Count	0
30973	Defined_Bond_Stereo_Count	0
10238746	Defined_Bond_Stereo_Count	0
586083	XLogP3-AA	1.3
3447	Isotope_Atom_Count	0
67439664	TPSA	143
83433	Isotope_Atom_Count	0
595921	Tautomer_Count	1
91069096	Covalent_Unit_Count	1
292184	Defined_Bond_Stereo_Count	0
7546	Exact_Mass	185.084063974
54288820	Undefined_Atom_Stereo_Count	1
282471	Tautomer_Count	3
40973	Defined_Bond_Stereo_Count	0
77117	Mono_Isotopic_Weight	153.99446384
136664419	Rotatable_Bond_Count	5
552109	Molecular_Weight	118.17
156434	Hydrogen_Bond_Donor_Count	2
73604	TPSA	123
11240435	Undefined_Atom_Stereo_Count	0
4653	Molecular_Weight	139.17
8854	Tautomer_Count	1
522390	Structure_Complexity	34.8
56669107	Mono_Isotopic_Weight	393.17133645
67443	Defined_Atom_Stereo_Count	0
94412	Defined_Atom_Stereo_Count	0
16227342	Structure_Complexity	116
517637	Non-hydrogen_Atom_Count	21
5289104	Covalent_Unit_Count	1
287180	Rotatable_Bond_Count	3
61285	Hydrogen_Bond_Acceptor_Count	3
16318	Mono_Isotopic_Weight	493.688527
398627	Undefined_Bond_Stereo_Count	0
11521070	Hydrogen_Bond_Donor_Count	1
482604	Covalent_Unit_Count	1
13427979	Undefined_Atom_Stereo_Count	0
19375416	Mono_Isotopic_Weight	110.073164938
11504295	Exact_Mass	386.18417193
51051642	Mono_Isotopic_Weight	861.37829941
6965	Hydrogen_Bond_Acceptor_Count	1
9962644	Defined_Atom_Stereo_Count	15
15535343	Undefined_Atom_Stereo_Count	1
5918	Molecular_Weight	109.13
9850430	Rotatable_Bond_Count	8
72502326	Covalent_Unit_Count	1
15213038	Mono_Isotopic_Weight	87.068413911
53174	Isotope_Atom_Count	0
169	Undefined_Atom_Stereo_Count	2
734033	TPSA	40.6
11274356	Isotope_Atom_Count	0
6031	Undefined_Bond_Stereo_Count	0
17358	Non-hydrogen_Atom_Count	7
604519	Tautomer_Count	2
13150526	Hydrogen_Bond_Donor_Count	1
27888	Undefined_Bond_Stereo_Count	0
2762830	Tautomer_Count	2
2733497	Undefined_Bond_Stereo_Count	0
7750	Structure_Complexity	76.1
74245	Defined_Atom_Stereo_Count	0
19470	Isotope_Atom_Count	0
53845104	Undefined_Atom_Stereo_Count	0
3539116	Tautomer_Count	1
36523	TPSA	475
7365	Covalent_Unit_Count	1
3045335	Undefined_Atom_Stereo_Count	0
53639246	Total_Formal_Charge	0
22753628	Structure_Complexity	106
101016656	Defined_Atom_Stereo_Count	0
519239	Tautomer_Count	1
25271781	Undefined_Bond_Stereo_Count	0
15565709	Defined_Atom_Stereo_Count	1
9793727	Molecular_Weight	112.13
443366	Total_Formal_Charge	0
1412	TPSA	77.8
444503	Covalent_Unit_Count	1
53689385	Hydrogen_Bond_Donor_Count	0
12448	Exact_Mass	301.157897619
1991	Isotope_Atom_Count	0
19375411	Hydrogen_Bond_Donor_Count	0
3032325	Covalent_Unit_Count	1
57009	Total_Formal_Charge	0
129636345	Non-hydrogen_Atom_Count	22
22081028	Isotope_Atom_Count	0
10239608	Hydrogen_Bond_Donor_Count	4
4454486	XLogP3-AA	2.9
55276371	Rotatable_Bond_Count	0
5281227	Hydrogen_Bond_Acceptor_Count	2
35654	Structure_Complexity	472
9800972	Rotatable_Bond_Count	10
12190	Mono_Isotopic_Weight	120.078644241
40479693	Hydrogen_Bond_Acceptor_Count	12
14500	Defined_Atom_Stereo_Count	0
464	Non-hydrogen_Atom_Count	13
289847	Defined_Atom_Stereo_Count	0
108313	XLogP3-AA	3
1269	Molecular_Weight	534.7
375860	Tautomer_Count	3
18391	Rotatable_Bond_Count	1
14989482	TPSA	20.2
12290	Undefined_Bond_Stereo_Count	0
22998467	Defined_Bond_Stereo_Count	0
9856149	Molecular_Weight	238.37
16211197	Hydrogen_Bond_Acceptor_Count	5
123923638	Exact_Mass	60.076679465
122874	Structure_Complexity	152
12413939	Undefined_Bond_Stereo_Count	0
236146	TPSA	23.8
54372438	Hydrogen_Bond_Donor_Count	0
14010333	Hydrogen_Bond_Acceptor_Count	4
14786532	Exact_Mass	111.068413911
56677003	Exact_Mass	507.1785654
65013	Defined_Atom_Stereo_Count	0
445302	Total_Formal_Charge	0
440141	Tautomer_Count	3
50317	XLogP3-AA	3.6
19041	Isotope_Atom_Count	0
7566944	Defined_Bond_Stereo_Count	0
2808988	Exact_Mass	311.12699141
66638	Molecular_Weight	254.26
4369560	Rotatable_Bond_Count	4
2574	Hydrogen_Bond_Acceptor_Count	3
54173839	XLogP3-AA	2.1
16213698	TPSA	267
9472	Defined_Atom_Stereo_Count	0
619446	Exact_Mass	278.11583301
44630475	Covalent_Unit_Count	2
5941539	Molecular_Weight	390.5
21873527	Total_Formal_Charge	0
107715	Tautomer_Count	4
11988	Total_Formal_Charge	0
11596660	Defined_Atom_Stereo_Count	0
25142043	Mono_Isotopic_Weight	408.19615422
3613700	Exact_Mass	203.0017026
249187	Hydrogen_Bond_Acceptor_Count	10
115118	Hydrogen_Bond_Acceptor_Count	5
3839223	Defined_Bond_Stereo_Count	0
41097873	Structure_Complexity	494
141429324	TPSA	21.9
688930	Non-hydrogen_Atom_Count	20
54601825	Tautomer_Count	1
5984	Hydrogen_Bond_Acceptor_Count	6
13225428	Undefined_Atom_Stereo_Count	1
119	Isotope_Atom_Count	0
18358	Defined_Atom_Stereo_Count	0
18596	TPSA	40.1
2775641	Undefined_Atom_Stereo_Count	3
121285115	Exact_Mass	284.16237386
135507761	Defined_Bond_Stereo_Count	2
54572303	Rotatable_Bond_Count	2
6815	Defined_Atom_Stereo_Count	0
7368	Hydrogen_Bond_Acceptor_Count	3
22491624	Exact_Mass	111.01427034
117846599	Rotatable_Bond_Count	4
154515685	Covalent_Unit_Count	1
27902	Non-hydrogen_Atom_Count	23
124224929	Total_Formal_Charge	0
74736	Molecular_Weight	211.26
11274968	Undefined_Bond_Stereo_Count	0
70691405	Undefined_Atom_Stereo_Count	4
8490	Mono_Isotopic_Weight	222.03488193
3033332	Defined_Atom_Stereo_Count	0
19816653	Covalent_Unit_Count	1
5241	Total_Formal_Charge	0
4205685	Defined_Atom_Stereo_Count	0
5318386	Rotatable_Bond_Count	5
12672	Undefined_Bond_Stereo_Count	0
4282864	Non-hydrogen_Atom_Count	58
71356	Molecular_Weight	275.31
72941990	Hydrogen_Bond_Acceptor_Count	6
160419	TPSA	80.3
104746	Undefined_Bond_Stereo_Count	0
219990	Structure_Complexity	212
3392	Undefined_Atom_Stereo_Count	9
6437352	Hydrogen_Bond_Acceptor_Count	5
137967	Undefined_Atom_Stereo_Count	0
88077632	Hydrogen_Bond_Acceptor_Count	1
19966535	Hydrogen_Bond_Donor_Count	4
543061	Tautomer_Count	1
55297293	Molecular_Weight	98.14
24502	Tautomer_Count	1
726	Structure_Complexity	1530
10329124	Hydrogen_Bond_Acceptor_Count	23
135398679	Structure_Complexity	250
984396	TPSA	102
9915	Hydrogen_Bond_Acceptor_Count	2
55973	Exact_Mass	315.90260
71460924	Exact_Mass	525.2030488
20685	Non-hydrogen_Atom_Count	24
565674	Mono_Isotopic_Weight	180.151415257
69631	TPSA	70.1
3038517	Undefined_Bond_Stereo_Count	0
51358375	Rotatable_Bond_Count	19
57369411	Structure_Complexity	1370
5596	Covalent_Unit_Count	1
44401138	Mono_Isotopic_Weight	421.16377084
21702770	Undefined_Bond_Stereo_Count	0
2721	Isotope_Atom_Count	0
9331	Hydrogen_Bond_Acceptor_Count	4
5326161	Total_Formal_Charge	0
27713	Exact_Mass	271.0975211
449435	Covalent_Unit_Count	1
22062700	Rotatable_Bond_Count	2
317677	Exact_Mass	114.068079557
44237243	Exact_Mass	317.06612775
91662	Defined_Bond_Stereo_Count	0
117659387	Molecular_Weight	110.15
9824345	Mono_Isotopic_Weight	436.15691181
12517392	Covalent_Unit_Count	1
79856	Exact_Mass	166.062994177
5375048	Defined_Atom_Stereo_Count	0
21473742	TPSA	65.6
54422686	Exact_Mass	103.063328530
3035440	Mono_Isotopic_Weight	308.16574516
60871	Hydrogen_Bond_Donor_Count	1
21391554	Exact_Mass	101.047678466
941	Isotope_Atom_Count	0
4160	Hydrogen_Bond_Acceptor_Count	2
13267937	Non-hydrogen_Atom_Count	30
12248306	Molecular_Weight	230.14
126686768	Covalent_Unit_Count	1
10942665	Exact_Mass	154.062994177
68322085	Molecular_Weight	341.4
16220172	Undefined_Atom_Stereo_Count	0
123769339	Exact_Mass	100.100048391
102068104	XLogP3-AA	1
5289295	Total_Formal_Charge	0
45120438	Isotope_Atom_Count	0
93083	Rotatable_Bond_Count	1
75866	Hydrogen_Bond_Acceptor_Count	1
3811882	Undefined_Atom_Stereo_Count	0
79316	Defined_Atom_Stereo_Count	0
8054	Hydrogen_Bond_Acceptor_Count	3
641768	Hydrogen_Bond_Donor_Count	1
23666409	TPSA	204
42608178	Defined_Atom_Stereo_Count	1
557772	TPSA	24.4
9601896	Tautomer_Count	1
1252759	Hydrogen_Bond_Donor_Count	0
2771	Exact_Mass	324.16379146
21452207	Mono_Isotopic_Weight	96.057514874
59189978	TPSA	12.5
69019	Isotope_Atom_Count	0
148118273	Isotope_Atom_Count	0
23939	Rotatable_Bond_Count	0
129689816	Total_Formal_Charge	0
96268	Hydrogen_Bond_Acceptor_Count	4
77999	Exact_Mass	357.11471265
135887831	Structure_Complexity	1220
79008	Rotatable_Bond_Count	1
15765799	Exact_Mass	110.036779430
2633	Molecular_Weight	561.6
77442	Rotatable_Bond_Count	13
690730	Structure_Complexity	210
595875	Isotope_Atom_Count	0
10347	Molecular_Weight	200.10
137837	Defined_Atom_Stereo_Count	0
22983309	Non-hydrogen_Atom_Count	8
44338517	TPSA	33.7
59772010	Isotope_Atom_Count	0
89280865	Undefined_Atom_Stereo_Count	1
11222822	Rotatable_Bond_Count	4
167517	Rotatable_Bond_Count	5
13068494	Hydrogen_Bond_Donor_Count	1
41556	Non-hydrogen_Atom_Count	19
136183544	Defined_Atom_Stereo_Count	0
11083832	Molecular_Weight	96.09
38768	Rotatable_Bond_Count	6
135398592	Undefined_Atom_Stereo_Count	0
11954389	Structure_Complexity	899
3973	Non-hydrogen_Atom_Count	23
146681133	Undefined_Atom_Stereo_Count	0
37049	Molecular_Weight	342.5
72571	TPSA	117
133562683	TPSA	289
825877	Non-hydrogen_Atom_Count	15
170530	Covalent_Unit_Count	1
749823	TPSA	52
129876172	Exact_Mass	341.12632271
22718889	Isotope_Atom_Count	0
13510025	Total_Formal_Charge	0
45116669	Tautomer_Count	1
5053	Structure_Complexity	497
535545	Molecular_Weight	85.15
349094	Hydrogen_Bond_Donor_Count	1
5546	TPSA	130
4475481	Defined_Bond_Stereo_Count	0
91562	Structure_Complexity	664
46205408	Exact_Mass	599.29551328
23729666	Exact_Mass	386.2124913
19951	Covalent_Unit_Count	1
17531	Tautomer_Count	1
13019052	Rotatable_Bond_Count	6
17912027	Non-hydrogen_Atom_Count	7
969472	Mono_Isotopic_Weight	388.1050661
205324	Mono_Isotopic_Weight	110.048012819
68260833	TPSA	9.2
9870185	TPSA	90.9
87279974	Undefined_Atom_Stereo_Count	0
3702	Covalent_Unit_Count	1
132598553	TPSA	27.6
63055	Undefined_Atom_Stereo_Count	0
2782	Undefined_Atom_Stereo_Count	0
750204	Hydrogen_Bond_Donor_Count	1
124426477	Isotope_Atom_Count	0
14142596	Defined_Bond_Stereo_Count	0
60155459	Isotope_Atom_Count	0
46907787	Total_Formal_Charge	0
667490	Defined_Atom_Stereo_Count	0
17748670	Hydrogen_Bond_Donor_Count	24
11346811	Hydrogen_Bond_Acceptor_Count	7
92600	Undefined_Atom_Stereo_Count	0
9732	Covalent_Unit_Count	1
9958	Defined_Bond_Stereo_Count	0
123631	Structure_Complexity	545
60993	Covalent_Unit_Count	1
3050432	Hydrogen_Bond_Acceptor_Count	2
450050	Covalent_Unit_Count	3
13158036	Exact_Mass	97.089149355
3152	Exact_Mass	379.21474379
7431	Isotope_Atom_Count	0
73829111	Non-hydrogen_Atom_Count	7
11379	Defined_Bond_Stereo_Count	0
129395999	Molecular_Weight	293.4
22712811	Defined_Bond_Stereo_Count	0
8080	Isotope_Atom_Count	0
90498	Covalent_Unit_Count	1
58024981	Exact_Mass	113.058911855
193290	Defined_Atom_Stereo_Count	0
101445	Undefined_Atom_Stereo_Count	0
71895	Defined_Bond_Stereo_Count	0
14067844	Molecular_Weight	111.10
9984374	Hydrogen_Bond_Acceptor_Count	12
80821	Total_Formal_Charge	0
5197257	Undefined_Atom_Stereo_Count	2
60209583	Exact_Mass	380.17360725
47703	Molecular_Weight	284.4
159755	Hydrogen_Bond_Donor_Count	1
101574147	Undefined_Atom_Stereo_Count	0
284980	Exact_Mass	217.9901349
20623556	Defined_Atom_Stereo_Count	0
3032771	Hydrogen_Bond_Donor_Count	3
16932	TPSA	0
5288700	TPSA	174
21537113	Structure_Complexity	98.2
71898	Covalent_Unit_Count	2
135019886	Exact_Mass	342.11621151
2807878	Isotope_Atom_Count	0
72734520	Non-hydrogen_Atom_Count	36
3533588	Defined_Bond_Stereo_Count	0
98044763	Defined_Bond_Stereo_Count	0
71387	Non-hydrogen_Atom_Count	28
72200357	Defined_Bond_Stereo_Count	0
71112644	Total_Formal_Charge	0
70301	Undefined_Bond_Stereo_Count	0
59296111	Rotatable_Bond_Count	7
6432217	Total_Formal_Charge	0
137530132	Exact_Mass	531.17327
45380936	Structure_Complexity	598
19871	Hydrogen_Bond_Donor_Count	1
5352982	Rotatable_Bond_Count	13
3693	Undefined_Bond_Stereo_Count	0
155907178	Hydrogen_Bond_Acceptor_Count	4
224241	Defined_Atom_Stereo_Count	0
55329	Molecular_Weight	263.34
159563	Exact_Mass	392.15968852
71306415	Undefined_Bond_Stereo_Count	0
17954	Total_Formal_Charge	0
2449	Tautomer_Count	127
54175107	Exact_Mass	99.104799419
535805	Undefined_Bond_Stereo_Count	0
16760577	Rotatable_Bond_Count	6
3081561	Molecular_Weight	1680.5
15550385	Hydrogen_Bond_Acceptor_Count	3
13207	Mono_Isotopic_Weight	126.104465066
314284	Mono_Isotopic_Weight	102.068079557
94885	Non-hydrogen_Atom_Count	13
92822	Defined_Bond_Stereo_Count	0
202	Isotope_Atom_Count	0
441145	Covalent_Unit_Count	1
250451	Hydrogen_Bond_Acceptor_Count	2
50614	Undefined_Bond_Stereo_Count	0
57445155	TPSA	29.5
817623	Molecular_Weight	312.4
97842	XLogP3-AA	2.2
642110	XLogP3	1.2
3086308	Isotope_Atom_Count	0
100934359	Structure_Complexity	96.4
69862751	Non-hydrogen_Atom_Count	10
222757	Undefined_Atom_Stereo_Count	0
182585	Covalent_Unit_Count	1
44392167	Molecular_Weight	519.7
87682885	Rotatable_Bond_Count	1
73285	Hydrogen_Bond_Donor_Count	0
6437842	Hydrogen_Bond_Donor_Count	1
8216	Tautomer_Count	1
64111	Structure_Complexity	693
204109	Exact_Mass	381.08349271
11246	Covalent_Unit_Count	2
53738699	Non-hydrogen_Atom_Count	8
270624	Undefined_Bond_Stereo_Count	0
87412180	Undefined_Bond_Stereo_Count	0
44345559	TPSA	46.9
5645	Mono_Isotopic_Weight	392.29265975
92829	Defined_Atom_Stereo_Count	1
5569	Isotope_Atom_Count	0
82419	Covalent_Unit_Count	1
23704143	Tautomer_Count	4
45267632	Structure_Complexity	743
72200865	Rotatable_Bond_Count	12
12639	Rotatable_Bond_Count	2
5283741	Mono_Isotopic_Weight	416.32904526
20279	Structure_Complexity	338
78484	Covalent_Unit_Count	1
443372	Hydrogen_Bond_Acceptor_Count	4
14671580	Molecular_Weight	114.19
525	Non-hydrogen_Atom_Count	9
123419	Defined_Bond_Stereo_Count	0
18921	Defined_Atom_Stereo_Count	0
9868452	Defined_Atom_Stereo_Count	2
134715513	Covalent_Unit_Count	2
139307343	Undefined_Bond_Stereo_Count	0
448285	Undefined_Atom_Stereo_Count	0
2997881	Molecular_Weight	210.30
643786	Defined_Bond_Stereo_Count	2
20095	Hydrogen_Bond_Acceptor_Count	3
31378	Molecular_Weight	380.4
124426477	TPSA	57.2
141886129	Isotope_Atom_Count	0
592915	Isotope_Atom_Count	0
22138511	TPSA	18.5
66099	Defined_Bond_Stereo_Count	0
89735852	Covalent_Unit_Count	1
65910	Molecular_Weight	558.5
4420	Molecular_Weight	380.78
65689	Exact_Mass	424.20971797
9604654	XLogP3-AA	1.1
6914285	Hydrogen_Bond_Donor_Count	3
16211656	Rotatable_Bond_Count	0
197148	Tautomer_Count	1
441073	TPSA	45.6
68939	Undefined_Bond_Stereo_Count	0
176265	Non-hydrogen_Atom_Count	18
73513	XLogP3-AA	1.5
8705	Undefined_Bond_Stereo_Count	0
67564795	Defined_Atom_Stereo_Count	0
8809	Total_Formal_Charge	0
83150	Hydrogen_Bond_Acceptor_Count	3
137724	Defined_Atom_Stereo_Count	0
22977906	Defined_Atom_Stereo_Count	0
6451148	Molecular_Weight	247.25
153254665	XLogP3-AA	1.4
6436135	Defined_Bond_Stereo_Count	1
20690188	XLogP3-AA	2
10775424	Exact_Mass	222.198365449
12545984	TPSA	21.3
4373502	Molecular_Weight	236.25
7240495	Defined_Bond_Stereo_Count	1
146158032	Isotope_Atom_Count	3
5459361	Hydrogen_Bond_Acceptor_Count	11
89399997	Non-hydrogen_Atom_Count	8
72023	Covalent_Unit_Count	1
4727	Hydrogen_Bond_Acceptor_Count	4
135643052	XLogP3-AA	1.1
3012	Rotatable_Bond_Count	5
39040	Exact_Mass	189.03606841
3775	Defined_Atom_Stereo_Count	0
102063302	Hydrogen_Bond_Acceptor_Count	2
566	TPSA	37.3
138921	Defined_Atom_Stereo_Count	0
14927	Undefined_Bond_Stereo_Count	0
9662	Molecular_Weight	98.48
23675320	Mono_Isotopic_Weight	457.0475138
14976739	Hydrogen_Bond_Donor_Count	1
136499	Hydrogen_Bond_Donor_Count	0
44348	Undefined_Atom_Stereo_Count	0
14241402	Hydrogen_Bond_Acceptor_Count	2
24181457	Covalent_Unit_Count	2
91754484	Non-hydrogen_Atom_Count	26
5299	Rotatable_Bond_Count	6
13878035	Undefined_Bond_Stereo_Count	0
135027	Total_Formal_Charge	0
6458	Mono_Isotopic_Weight	294.0631547
9868491	TPSA	76
11346	Non-hydrogen_Atom_Count	12
65093	Undefined_Atom_Stereo_Count	0
22257513	TPSA	23.8
65281	Rotatable_Bond_Count	31
102171995	Exact_Mass	312.162648646
742	Isotope_Atom_Count	0
54685524	Rotatable_Bond_Count	5
854150	Isotope_Atom_Count	0
101365706	Covalent_Unit_Count	1
378309	XLogP3-AA	2.3
53320444	Defined_Atom_Stereo_Count	0
11973	Undefined_Bond_Stereo_Count	0
718862	Undefined_Bond_Stereo_Count	0
63021	Exact_Mass	340.20384475
5487972	Covalent_Unit_Count	1
75785	Exact_Mass	193.110278721
71356656	Defined_Atom_Stereo_Count	0
21464101	TPSA	29.1
65584	Undefined_Atom_Stereo_Count	0
12209630	Isotope_Atom_Count	0
135911835	Isotope_Atom_Count	0
27430	Undefined_Bond_Stereo_Count	0
11568443	TPSA	95.5
130147045	Covalent_Unit_Count	1
10917	Molecular_Weight	161.20
12695798	TPSA	3
19935256	Isotope_Atom_Count	0
153939682	Defined_Bond_Stereo_Count	0
12314962	Undefined_Atom_Stereo_Count	9
703	TPSA	356
4989215	Isotope_Atom_Count	0
714	Total_Formal_Charge	0
79314	Hydrogen_Bond_Acceptor_Count	3
398570	Rotatable_Bond_Count	2
22015773	Exact_Mass	144.068748264
16832	Defined_Bond_Stereo_Count	0
129848667	Defined_Atom_Stereo_Count	0
72999858	Hydrogen_Bond_Acceptor_Count	5
44443939	Defined_Bond_Stereo_Count	0
32737	Defined_Atom_Stereo_Count	0
25102720	Total_Formal_Charge	0
19782027	Covalent_Unit_Count	1
522041	Covalent_Unit_Count	1
70692035	Defined_Bond_Stereo_Count	0
52905	Structure_Complexity	203
9962644	Mono_Isotopic_Weight	842.51400504
18641	Hydrogen_Bond_Acceptor_Count	4
153655135	Isotope_Atom_Count	0
58501	Exact_Mass	378.173213330
5354495	Rotatable_Bond_Count	0
56845432	Non-hydrogen_Atom_Count	12
253	Hydrogen_Bond_Donor_Count	3
11266523	Hydrogen_Bond_Donor_Count	1
435459	Tautomer_Count	1
21353681	Molecular_Weight	85.15
103	Undefined_Bond_Stereo_Count	0
43833360	TPSA	13.7
54686350	Isotope_Atom_Count	0
11294	Defined_Atom_Stereo_Count	0
80032	Defined_Atom_Stereo_Count	0
54587659	Hydrogen_Bond_Acceptor_Count	5
15034633	Covalent_Unit_Count	1
86882	Covalent_Unit_Count	1
57424711	Hydrogen_Bond_Acceptor_Count	3
130872	TPSA	165
124003	Hydrogen_Bond_Acceptor_Count	12
137554722	Undefined_Bond_Stereo_Count	0
6603	Mono_Isotopic_Weight	155.167399674
58645437	Isotope_Atom_Count	0
76035516	Covalent_Unit_Count	1
213049	Non-hydrogen_Atom_Count	33
54270986	Exact_Mass	339.97701816
44208849	XLogP3-AA	3
45140016	Hydrogen_Bond_Acceptor_Count	8
1549098	Molecular_Weight	153.16
447966	Tautomer_Count	5
10953798	Structure_Complexity	0
1390	TPSA	17.8
32592	Undefined_Bond_Stereo_Count	0
3200	Structure_Complexity	239
53885557	Rotatable_Bond_Count	2
11829353	Undefined_Atom_Stereo_Count	0
72941969	Molecular_Weight	4610
3036056	Defined_Atom_Stereo_Count	0
16760595	Undefined_Bond_Stereo_Count	0
86806	Rotatable_Bond_Count	6
15830	Isotope_Atom_Count	0
38409	Hydrogen_Bond_Donor_Count	1
6426632	Hydrogen_Bond_Acceptor_Count	10
23072212	Covalent_Unit_Count	1
44427236	Molecular_Weight	388.4
8304	Non-hydrogen_Atom_Count	13
3325	TPSA	238
129228	Rotatable_Bond_Count	3
85500	Defined_Atom_Stereo_Count	0
3327	Hydrogen_Bond_Donor_Count	1
11296583	Defined_Atom_Stereo_Count	7
13008	Undefined_Atom_Stereo_Count	0
10557575	Mono_Isotopic_Weight	871.36264935
131982921	Defined_Atom_Stereo_Count	0
22491624	Undefined_Atom_Stereo_Count	0
23655	Exact_Mass	311.2015923
91259187	TPSA	0
86653211	Exact_Mass	302.1577414
53442911	Total_Formal_Charge	0
156212	Undefined_Bond_Stereo_Count	0
65604	XLogP3-AA	10.7
728	Hydrogen_Bond_Donor_Count	0
129146	Undefined_Atom_Stereo_Count	0
12674802	TPSA	12.9
968688	Isotope_Atom_Count	0
9964079	TPSA	64.2
88589623	Hydrogen_Bond_Acceptor_Count	14
38945	Total_Formal_Charge	0
12601908	Non-hydrogen_Atom_Count	7
44310775	TPSA	73.3
349252	Total_Formal_Charge	0
129	Covalent_Unit_Count	1
11668120	Hydrogen_Bond_Acceptor_Count	4
6380	Undefined_Bond_Stereo_Count	0
71584285	XLogP3-AA	2
12625760	Mono_Isotopic_Weight	98.073164938
54316980	Exact_Mass	99.068413911
54031007	Undefined_Bond_Stereo_Count	0
6049	Defined_Bond_Stereo_Count	0
54680783	XLogP3-AA	1.7
27826	TPSA	35.9
42754	TPSA	29.1
6419957	Hydrogen_Bond_Donor_Count	30
12059921	Hydrogen_Bond_Acceptor_Count	1
91453	Exact_Mass	430.30830982
41211	Undefined_Bond_Stereo_Count	0
93738	Defined_Bond_Stereo_Count	0
5281951	Defined_Atom_Stereo_Count	0
71544786	Total_Formal_Charge	0
133645886	Molecular_Weight	823.9
12295520	Molecular_Weight	110.16
76796454	Isotope_Atom_Count	0
3047822	XLogP3-AA	0.5
3357	Undefined_Bond_Stereo_Count	0
13019068	Mono_Isotopic_Weight	416.32904526
4168	Defined_Bond_Stereo_Count	0
68891	Hydrogen_Bond_Donor_Count	0
2978	Hydrogen_Bond_Donor_Count	1
5717	Structure_Complexity	1010
76958180	Tautomer_Count	2
707	Non-hydrogen_Atom_Count	41
359784	Undefined_Bond_Stereo_Count	0
6918146	Defined_Atom_Stereo_Count	0
9049	Structure_Complexity	355
472172	Covalent_Unit_Count	1
20055515	Defined_Atom_Stereo_Count	18
3084101	Mono_Isotopic_Weight	309.714777
67515	XLogP3-AA	1
70257	XLogP3-AA	3.5
135498233	Exact_Mass	165.02867436
11544171	Defined_Atom_Stereo_Count	0
19211	Non-hydrogen_Atom_Count	12
46212	Total_Formal_Charge	0
11971580	Defined_Atom_Stereo_Count	0
691409	Hydrogen_Bond_Acceptor_Count	5
14723648	Isotope_Atom_Count	0
58270050	Undefined_Bond_Stereo_Count	0
5281764	XLogP3-AA	2
9821174	Molecular_Weight	379.5
44152553	XLogP3-AA	6.4
114935	Structure_Complexity	1170
42796	Isotope_Atom_Count	0
15811016	Covalent_Unit_Count	3
54690315	Structure_Complexity	160
28048	TPSA	18.5
3512	Tautomer_Count	2
3804841	Isotope_Atom_Count	0
49862627	Covalent_Unit_Count	1
76442017	Hydrogen_Bond_Donor_Count	1
4158	Exact_Mass	233.141578849
22603659	Undefined_Bond_Stereo_Count	0
65280	Covalent_Unit_Count	1
6604472	Undefined_Bond_Stereo_Count	0
21325324	TPSA	23.2
12578246	Total_Formal_Charge	0
9936746	Exact_Mass	491.1182738
118210244	Undefined_Bond_Stereo_Count	0
1362	Isotope_Atom_Count	0
91	Hydrogen_Bond_Donor_Count	2
7498	Undefined_Atom_Stereo_Count	0
63079	Total_Formal_Charge	0
105131	Rotatable_Bond_Count	1
77674	Mono_Isotopic_Weight	163.927511
6974	Hydrogen_Bond_Donor_Count	0
120574	Undefined_Atom_Stereo_Count	0
23633604	Defined_Bond_Stereo_Count	0
91468768	Undefined_Atom_Stereo_Count	5
67108333	Total_Formal_Charge	0
5282219	Undefined_Bond_Stereo_Count	0
5870	Undefined_Bond_Stereo_Count	0
8351	Covalent_Unit_Count	1
5282544	Covalent_Unit_Count	1
119185	Hydrogen_Bond_Acceptor_Count	10
439210	Exact_Mass	211.953380
8419	Hydrogen_Bond_Acceptor_Count	3
3020	Non-hydrogen_Atom_Count	70
57112474	Covalent_Unit_Count	1
21702770	Mono_Isotopic_Weight	114.068079557
90728924	Undefined_Bond_Stereo_Count	0
587311	Isotope_Atom_Count	0
130054486	Undefined_Atom_Stereo_Count	1
114831	Defined_Bond_Stereo_Count	0
56842239	Covalent_Unit_Count	3
12205	Undefined_Bond_Stereo_Count	0
118505252	Structure_Complexity	113
10162742	TPSA	103
134129858	Isotope_Atom_Count	0
146131	Molecular_Weight	180.16
60196318	Molecular_Weight	358.9
2737121	Defined_Atom_Stereo_Count	0
446569	Mono_Isotopic_Weight	596.24170406
20728	Undefined_Atom_Stereo_Count	7
8154	TPSA	0
524409	Covalent_Unit_Count	1
53773588	Undefined_Atom_Stereo_Count	0
22134026	XLogP3-AA	0
20453897	Undefined_Bond_Stereo_Count	0
46173707	Tautomer_Count	1
454216	Exact_Mass	723.21387469
4557	Isotope_Atom_Count	0
216208	Total_Formal_Charge	0
11662332	Covalent_Unit_Count	1
36	TPSA	94.8
1060	Hydrogen_Bond_Acceptor_Count	3
56430	Isotope_Atom_Count	0
20417	Non-hydrogen_Atom_Count	8
439711	Hydrogen_Bond_Donor_Count	1
44786	Isotope_Atom_Count	0
44451124	Exact_Mass	577.27880059
65468	Structure_Complexity	499
181583	Undefined_Atom_Stereo_Count	1
27123	Exact_Mass	444.25118886
21691039	Total_Formal_Charge	0
65934	XLogP3-AA	1.1
12721	Undefined_Bond_Stereo_Count	1
135540987	Non-hydrogen_Atom_Count	29
4449	Covalent_Unit_Count	1
64914374	Molecular_Weight	112.17
53826440	Covalent_Unit_Count	1
62669683	Rotatable_Bond_Count	3
92685	Mono_Isotopic_Weight	597.97483
693167	TPSA	52.8
16219944	Undefined_Atom_Stereo_Count	0
1046	Total_Formal_Charge	0
5358751	Defined_Bond_Stereo_Count	5
550	TPSA	129
129628370	Exact_Mass	143.00409958
68790	XLogP3	3
118253852	Rotatable_Bond_Count	5
79038	Tautomer_Count	2
52893	Hydrogen_Bond_Acceptor_Count	2
24865390	Non-hydrogen_Atom_Count	22
68979856	Hydrogen_Bond_Acceptor_Count	3
6015	Defined_Atom_Stereo_Count	0
145945090	TPSA	467
3035235	Mono_Isotopic_Weight	341.18383758
62232962	TPSA	26.3
644213	Total_Formal_Charge	0
44237360	Undefined_Bond_Stereo_Count	0
91486	Isotope_Atom_Count	0
134495	Hydrogen_Bond_Acceptor_Count	4
22704	Covalent_Unit_Count	1
54169757	Hydrogen_Bond_Donor_Count	3
89646	Defined_Atom_Stereo_Count	0
454216	Defined_Atom_Stereo_Count	6
56668818	Defined_Bond_Stereo_Count	0
263086	Covalent_Unit_Count	1
5702068	Undefined_Atom_Stereo_Count	3
557796	Rotatable_Bond_Count	0
23675341	Structure_Complexity	839
11746	TPSA	37.3
56840904	Hydrogen_Bond_Acceptor_Count	6
126968545	Structure_Complexity	609
10263	Mono_Isotopic_Weight	134.109550447
58308035	Defined_Atom_Stereo_Count	0
22323434	Exact_Mass	466.19771322
123542468	Defined_Atom_Stereo_Count	0
62414	Total_Formal_Charge	0
6438130	Covalent_Unit_Count	2
893524	Undefined_Atom_Stereo_Count	0
92131818	Undefined_Bond_Stereo_Count	0
11593706	Rotatable_Bond_Count	2
91788	Isotope_Atom_Count	0
6710735	Undefined_Atom_Stereo_Count	0
17541	TPSA	29.5
3032792	Structure_Complexity	434
173548	Mono_Isotopic_Weight	315.17942091
74889149	Defined_Bond_Stereo_Count	0
2583	Tautomer_Count	3
5326965	Exact_Mass	169.99802494
66775	Hydrogen_Bond_Acceptor_Count	0
968081	Isotope_Atom_Count	0
11858153	Structure_Complexity	423
71310254	Hydrogen_Bond_Donor_Count	8
36605	Covalent_Unit_Count	2
140083	XLogP3-AA	0.9
135802074	Mono_Isotopic_Weight	601.1656603
54682458	Mono_Isotopic_Weight	608.17295580
24776149	Isotope_Atom_Count	0
5479141	Total_Formal_Charge	0
40467008	Mono_Isotopic_Weight	363.10146788
11829356	TPSA	29.5
11163584	Hydrogen_Bond_Acceptor_Count	5
135410907	Rotatable_Bond_Count	2
191468	Undefined_Bond_Stereo_Count	0
830140	Exact_Mass	227.05171847
23695850	Isotope_Atom_Count	0
112322	Undefined_Bond_Stereo_Count	0
96132	Covalent_Unit_Count	1
94543	Covalent_Unit_Count	1
535504	Non-hydrogen_Atom_Count	8
62332	Mono_Isotopic_Weight	242.094294304
71718453	Exact_Mass	361.07661306
3047786	Hydrogen_Bond_Donor_Count	0
164330	Defined_Bond_Stereo_Count	0
135565471	TPSA	297
151170	Rotatable_Bond_Count	5
354785	Structure_Complexity	310
529279	XLogP3-AA	3.3
46856306	Rotatable_Bond_Count	4
10180182	Hydrogen_Bond_Acceptor_Count	3
19101060	Defined_Bond_Stereo_Count	0
75576	Rotatable_Bond_Count	2
8048	Undefined_Bond_Stereo_Count	0
6506250	Undefined_Atom_Stereo_Count	1
168971	Hydrogen_Bond_Acceptor_Count	16
43834223	Hydrogen_Bond_Donor_Count	2
115374	Hydrogen_Bond_Donor_Count	1
9956	Defined_Atom_Stereo_Count	0
21133868	Hydrogen_Bond_Donor_Count	0
6433198	Covalent_Unit_Count	3
134826479	Undefined_Atom_Stereo_Count	0
196	Hydrogen_Bond_Donor_Count	2
72474	Structure_Complexity	636
130035834	Exact_Mass	100.052429494
90905460	XLogP3-AA	0.8
24699	Undefined_Atom_Stereo_Count	1
20056755	Undefined_Bond_Stereo_Count	0
22860	Total_Formal_Charge	0
522003	Exact_Mass	132.115029749
25110841	Isotope_Atom_Count	0
22061693	Non-hydrogen_Atom_Count	8
2771917	Undefined_Bond_Stereo_Count	0
67375395	Mono_Isotopic_Weight	411.16952493
49799987	Covalent_Unit_Count	2
69828	Exact_Mass	57.057849228
18119	Exact_Mass	389.283098129
9551858	Hydrogen_Bond_Donor_Count	2
11126188	Isotope_Atom_Count	0
148211	Undefined_Bond_Stereo_Count	0
165777539	Hydrogen_Bond_Donor_Count	0
71145	Defined_Bond_Stereo_Count	0
236702	Total_Formal_Charge	0
15988075	Hydrogen_Bond_Donor_Count	3
208880	TPSA	49.8
7811	Total_Formal_Charge	0
979919	Non-hydrogen_Atom_Count	24
68689	Molecular_Weight	185.31
5504	Rotatable_Bond_Count	2
17292	TPSA	75.3
67651264	Rotatable_Bond_Count	2
65909	Undefined_Bond_Stereo_Count	0
121397587	Hydrogen_Bond_Acceptor_Count	10
8756	Undefined_Bond_Stereo_Count	0
142901	Mono_Isotopic_Weight	110.073164938
5284603	Tautomer_Count	6
57435862	Undefined_Atom_Stereo_Count	0
7852	TPSA	26
16070111	Covalent_Unit_Count	1
60196441	Mono_Isotopic_Weight	613.21753896
2209	Molecular_Weight	162.3
12600	Non-hydrogen_Atom_Count	14
208923	Covalent_Unit_Count	1
22725651	Isotope_Atom_Count	0
18952320	Structure_Complexity	74.1
11316094	XLogP3-AA	2.4
13187	Molecular_Weight	142.24
143683872	Covalent_Unit_Count	1
76949	Hydrogen_Bond_Acceptor_Count	3
71853	Mono_Isotopic_Weight	1525.6353145
73653998	Hydrogen_Bond_Donor_Count	2
26312	Undefined_Bond_Stereo_Count	0
21648	XLogP3-AA	1.5
15706803	Mono_Isotopic_Weight	116.120115130
9202	Undefined_Atom_Stereo_Count	0
13807316	Undefined_Bond_Stereo_Count	0
83465	Molecular_Weight	221.17
81981	Structure_Complexity	227
5288783	Mono_Isotopic_Weight	412.29774513
402035	Non-hydrogen_Atom_Count	32
25132069	Non-hydrogen_Atom_Count	26
21867154	Defined_Atom_Stereo_Count	0
160078	Structure_Complexity	1560
13757192	Undefined_Atom_Stereo_Count	1
12028	Undefined_Atom_Stereo_Count	0
55284178	Exact_Mass	114.042927438
124769753	Covalent_Unit_Count	1
167	Undefined_Atom_Stereo_Count	0
23080870	Rotatable_Bond_Count	2
48346	Covalent_Unit_Count	1
12302695	Hydrogen_Bond_Acceptor_Count	11
90877284	Isotope_Atom_Count	0
4196	Hydrogen_Bond_Donor_Count	1
129148	TPSA	138
187888	Hydrogen_Bond_Acceptor_Count	4
23324969	Hydrogen_Bond_Acceptor_Count	0
1688	Rotatable_Bond_Count	1
53803	Tautomer_Count	1
25052652	Defined_Atom_Stereo_Count	1
233979	Total_Formal_Charge	0
441476	Covalent_Unit_Count	1
76973216	Hydrogen_Bond_Donor_Count	4
559645	Non-hydrogen_Atom_Count	8
5704083	Non-hydrogen_Atom_Count	23
9871419	Exact_Mass	522.18608089
417753	Exact_Mass	495.1275944
53681289	Exact_Mass	102.079312947
132647840	Molecular_Weight	156.19
44266486	Non-hydrogen_Atom_Count	21
97065	Molecular_Weight	226.4
439587	Undefined_Atom_Stereo_Count	0
138059664	Molecular_Weight	1467.5
201874	TPSA	44.1
12031	Defined_Atom_Stereo_Count	0
54581	Undefined_Bond_Stereo_Count	0
989	Non-hydrogen_Atom_Count	9
67317342	Molecular_Weight	100.16
11040652	Hydrogen_Bond_Donor_Count	0
2843	Non-hydrogen_Atom_Count	45
151245	TPSA	38.3
5462355	Total_Formal_Charge	0
16129778	Defined_Bond_Stereo_Count	0
12285890	Exact_Mass	181.06674293
1753	Defined_Atom_Stereo_Count	0
71455485	Non-hydrogen_Atom_Count	35
62210	Structure_Complexity	548
76079	Structure_Complexity	128
20861	Molecular_Weight	134.17
57400316	XLogP3	1.9
49007	Undefined_Bond_Stereo_Count	0
444182	Total_Formal_Charge	0
22459	XLogP3-AA	0
53762327	Non-hydrogen_Atom_Count	9
20680013	Hydrogen_Bond_Donor_Count	0
6999971	Undefined_Bond_Stereo_Count	0
89152969	Structure_Complexity	78.5
706485	Rotatable_Bond_Count	3
62884	Rotatable_Bond_Count	4
54704426	Structure_Complexity	971
6335436	Defined_Atom_Stereo_Count	4
135398658	Hydrogen_Bond_Acceptor_Count	10
11167	TPSA	44.4
874	Non-hydrogen_Atom_Count	9
2801745	Undefined_Atom_Stereo_Count	0
17171354	Exact_Mass	114.079312947
449284	Isotope_Atom_Count	0
11815279	Non-hydrogen_Atom_Count	6
10648	Hydrogen_Bond_Acceptor_Count	1
45052197	Hydrogen_Bond_Acceptor_Count	0
44629594	TPSA	98.3
99564	Defined_Bond_Stereo_Count	0
82085	Molecular_Weight	190.16
11940	Defined_Bond_Stereo_Count	0
5498	Defined_Bond_Stereo_Count	0
104741	Undefined_Atom_Stereo_Count	1
71586929	Mono_Isotopic_Weight	281.990079
141297532	TPSA	38.6
7247	Covalent_Unit_Count	1
6166	Non-hydrogen_Atom_Count	24
21702741	Total_Formal_Charge	0
5284649	Covalent_Unit_Count	1
6324616	Defined_Bond_Stereo_Count	3
58028426	Total_Formal_Charge	0
174782	Structure_Complexity	841
2723785	Covalent_Unit_Count	1
83694167	XLogP3-AA	1
1712058	Hydrogen_Bond_Donor_Count	0
72307	Defined_Bond_Stereo_Count	0
104794	Isotope_Atom_Count	0
55253668	Undefined_Atom_Stereo_Count	0
91394869	Structure_Complexity	80.1
1519	Structure_Complexity	853
61251	TPSA	38.3
317505	Hydrogen_Bond_Acceptor_Count	2
9911830	Undefined_Bond_Stereo_Count	0
57545	Defined_Bond_Stereo_Count	0
68840	Undefined_Atom_Stereo_Count	0
98042	Isotope_Atom_Count	0
85446057	Non-hydrogen_Atom_Count	7
63985	Undefined_Bond_Stereo_Count	0
4273	Structure_Complexity	551
35330	Defined_Atom_Stereo_Count	0
24181099	Structure_Complexity	981
55515	Undefined_Bond_Stereo_Count	0
90019226	Molecular_Weight	103.12
123316507	Mono_Isotopic_Weight	1201.84136802
54173839	Mono_Isotopic_Weight	94.078250319
656917	Exact_Mass	294.15009510
75850	Tautomer_Count	2
147569	Covalent_Unit_Count	1
613570	TPSA	12.9
66357	Structure_Complexity	217
98930	Hydrogen_Bond_Acceptor_Count	2
44563177	Undefined_Bond_Stereo_Count	0
5242420	Structure_Complexity	297
49866022	Covalent_Unit_Count	1
21743	Isotope_Atom_Count	0
9578243	Total_Formal_Charge	0
5702096	XLogP3	3.3
31297	Hydrogen_Bond_Acceptor_Count	2
41043	Exact_Mass	190.04121336
11029807	Covalent_Unit_Count	1
4896	Undefined_Bond_Stereo_Count	0
72199429	Mono_Isotopic_Weight	605.27395051
129716995	XLogP3-AA	8.7
98790	Defined_Bond_Stereo_Count	0
11542775	Total_Formal_Charge	0
525785	XLogP3-AA	1.6
32336	Mono_Isotopic_Weight	430.24204178
3514	Total_Formal_Charge	0
31284	XLogP3	6.8
124225	Undefined_Atom_Stereo_Count	1
135492	Total_Formal_Charge	0
86308705	Isotope_Atom_Count	0
18818	Hydrogen_Bond_Donor_Count	0
72076	Undefined_Atom_Stereo_Count	0
8361	TPSA	46.5
44457029	TPSA	73.2
2816568	Undefined_Bond_Stereo_Count	0
7582	Hydrogen_Bond_Donor_Count	1
11040652	Exact_Mass	111.068413911
542158	Exact_Mass	484.2128852
40172	Tautomer_Count	1
23684896	Covalent_Unit_Count	2
5934	Exact_Mass	239.142247555
139040442	Defined_Bond_Stereo_Count	0
74764517	Undefined_Bond_Stereo_Count	1
5288319	Total_Formal_Charge	0
14831302	Rotatable_Bond_Count	2
54038691	TPSA	20.2
24868273	Rotatable_Bond_Count	5
146681110	Non-hydrogen_Atom_Count	73
551491	Defined_Atom_Stereo_Count	0
71387	Hydrogen_Bond_Donor_Count	1
65717	Tautomer_Count	1
6433547	Non-hydrogen_Atom_Count	12
12431565	Mono_Isotopic_Weight	98.073164938
11704019	Total_Formal_Charge	0
136513	Defined_Bond_Stereo_Count	0
60148392	Non-hydrogen_Atom_Count	27
2733779	Hydrogen_Bond_Acceptor_Count	8
12358890	Rotatable_Bond_Count	8
14417041	Undefined_Atom_Stereo_Count	1
11659487	Molecular_Weight	304.4
79474	Hydrogen_Bond_Acceptor_Count	2
117891679	Undefined_Atom_Stereo_Count	0
89252	Covalent_Unit_Count	1
87187801	Molecular_Weight	112.17
16366	Rotatable_Bond_Count	0
68903	Defined_Bond_Stereo_Count	0
83064	TPSA	114
13157	Defined_Atom_Stereo_Count	0
57392964	Defined_Bond_Stereo_Count	0
23668193	Non-hydrogen_Atom_Count	4
69568	Structure_Complexity	106
138813	Molecular_Weight	96.13
111089	Defined_Bond_Stereo_Count	0
27909	Isotope_Atom_Count	0
22022770	Undefined_Atom_Stereo_Count	1
4686	Exact_Mass	434.21046687
5463911	TPSA	38.7
443369	Undefined_Atom_Stereo_Count	8
91589206	Undefined_Atom_Stereo_Count	1
11069	Molecular_Weight	422.5
83191	Covalent_Unit_Count	1
5378825	Hydrogen_Bond_Donor_Count	1
408763	Defined_Bond_Stereo_Count	0
24813	Defined_Bond_Stereo_Count	0
11908488	Undefined_Atom_Stereo_Count	0
11372270	Undefined_Atom_Stereo_Count	0
656609	Mono_Isotopic_Weight	477.21832559
136880	Structure_Complexity	47.6
4369524	Non-hydrogen_Atom_Count	21
18690759	Structure_Complexity	109
60182	Isotope_Atom_Count	0
15325	XLogP3	2
88929423	XLogP3-AA	1.5
47354	Total_Formal_Charge	0
909	Defined_Bond_Stereo_Count	0
4532218	Molecular_Weight	106.19
11256720	TPSA	70.7
557356	Non-hydrogen_Atom_Count	11
70407330	Covalent_Unit_Count	1
139062015	Molecular_Weight	335.6
136649217	Undefined_Bond_Stereo_Count	0
10297818	Covalent_Unit_Count	1
284240	Hydrogen_Bond_Donor_Count	2
62662	Hydrogen_Bond_Acceptor_Count	11
667	Defined_Atom_Stereo_Count	0
165074	Isotope_Atom_Count	0
18617909	Defined_Atom_Stereo_Count	0
62529	Defined_Atom_Stereo_Count	0
4528	Non-hydrogen_Atom_Count	18
1012	Hydrogen_Bond_Donor_Count	10
69091	Defined_Atom_Stereo_Count	0
1765	Defined_Bond_Stereo_Count	0
5318386	Hydrogen_Bond_Donor_Count	1
247929	Tautomer_Count	9
55286731	Undefined_Bond_Stereo_Count	0
43454	Structure_Complexity	365
9793723	Isotope_Atom_Count	0
118216	Undefined_Atom_Stereo_Count	1
24229456	Defined_Atom_Stereo_Count	0
3507056	Hydrogen_Bond_Donor_Count	0
130124330	Exact_Mass	113.047678466
23689036	Rotatable_Bond_Count	0
24848261	Mono_Isotopic_Weight	413.1202852
56842070	Defined_Atom_Stereo_Count	0
66130	Undefined_Bond_Stereo_Count	0
16666	Structure_Complexity	120
41191	Defined_Bond_Stereo_Count	0
91444	Non-hydrogen_Atom_Count	11
20952	Defined_Atom_Stereo_Count	0
5736	Molecular_Weight	331.9
24916941	Undefined_Atom_Stereo_Count	0
5281068	Mono_Isotopic_Weight	390.1346349
220175	Hydrogen_Bond_Acceptor_Count	4
7773	Covalent_Unit_Count	1
54177139	Undefined_Bond_Stereo_Count	0
91884755	Defined_Atom_Stereo_Count	5
123224323	Non-hydrogen_Atom_Count	7
439468	Hydrogen_Bond_Donor_Count	11
69088	Structure_Complexity	232
58774648	Isotope_Atom_Count	0
130032075	Undefined_Atom_Stereo_Count	0
4630	Undefined_Bond_Stereo_Count	0
73981	Mono_Isotopic_Weight	57.9905210
155794	Structure_Complexity	387
24426	Tautomer_Count	1
166718	Undefined_Atom_Stereo_Count	0
14899	Rotatable_Bond_Count	10
23925	TPSA	0
6437392	TPSA	134
160310226	TPSA	45.6
5362894	Structure_Complexity	95.4
44125832	Isotope_Atom_Count	0
135438424	Structure_Complexity	1040
94153	Defined_Atom_Stereo_Count	0
4217966	Defined_Bond_Stereo_Count	0
13664	Non-hydrogen_Atom_Count	13
129866077	TPSA	286
65955	Mono_Isotopic_Weight	140.058577502
15606	Undefined_Bond_Stereo_Count	0
122389028	Undefined_Bond_Stereo_Count	0
18324766	Non-hydrogen_Atom_Count	7
429095	Undefined_Atom_Stereo_Count	0
153254665	TPSA	3
123133975	Mono_Isotopic_Weight	813.45107043
11450633	Undefined_Bond_Stereo_Count	0
70713	Molecular_Weight	85.10
13671	TPSA	78.5
93923	Structure_Complexity	765
3085219	Rotatable_Bond_Count	0
21624254	Structure_Complexity	68.5
16237	Non-hydrogen_Atom_Count	13
721	Total_Formal_Charge	0
756229	TPSA	49.4
10197612	Hydrogen_Bond_Donor_Count	0
956	Hydrogen_Bond_Acceptor_Count	25
3134071	XLogP3-AA	2.4
17118	TPSA	58
5288173	Structure_Complexity	598
18714263	Mono_Isotopic_Weight	111.079647300
22015260	Rotatable_Bond_Count	2
20975302	Rotatable_Bond_Count	1
160889158	Structure_Complexity	87.4
9914506	Non-hydrogen_Atom_Count	35
9793773	Undefined_Bond_Stereo_Count	0
7646	Non-hydrogen_Atom_Count	13
8698	Mono_Isotopic_Weight	178.099379685
5893	Undefined_Atom_Stereo_Count	0
19782039	Isotope_Atom_Count	0
13781592	Defined_Atom_Stereo_Count	0
69253625	Structure_Complexity	86.5
138979	XLogP3-AA	0.9
152119	XLogP3-AA	0.6
168379	Rotatable_Bond_Count	6
154825561	XLogP3-AA	2.9
19847	Defined_Atom_Stereo_Count	0
213037	TPSA	167
56840781	Hydrogen_Bond_Acceptor_Count	8
6917864	Exact_Mass	384.17841785
65790	Defined_Atom_Stereo_Count	0
223407	Undefined_Atom_Stereo_Count	7
23434	Structure_Complexity	425
561096	Molecular_Weight	92.14
80668	Total_Formal_Charge	0
20710	Tautomer_Count	1
73303	Exact_Mass	420.11372685
47703	Structure_Complexity	264
54587596	Non-hydrogen_Atom_Count	32
37642	Tautomer_Count	1
54378536	Total_Formal_Charge	0
526715	Hydrogen_Bond_Acceptor_Count	5
17541	Undefined_Atom_Stereo_Count	0
7668	Total_Formal_Charge	0
118014937	Undefined_Bond_Stereo_Count	0
139079243	Defined_Atom_Stereo_Count	0
1732	Non-hydrogen_Atom_Count	9
69347980	Exact_Mass	476.1633482
5284597	TPSA	37.3
107905	Defined_Atom_Stereo_Count	2
3769881	Hydrogen_Bond_Donor_Count	1
71342	Rotatable_Bond_Count	5
661093	Structure_Complexity	361
12250944	Defined_Bond_Stereo_Count	0
44155874	Hydrogen_Bond_Donor_Count	0
2581	Tautomer_Count	1
10008	Undefined_Bond_Stereo_Count	0
72765870	Hydrogen_Bond_Donor_Count	0
71451733	Rotatable_Bond_Count	4
7697	Structure_Complexity	135
20388	Structure_Complexity	585
6875	Non-hydrogen_Atom_Count	18
3249	Covalent_Unit_Count	1
126569786	Hydrogen_Bond_Acceptor_Count	12
3185	TPSA	87.8
14637946	Undefined_Bond_Stereo_Count	0
21778241	Undefined_Atom_Stereo_Count	0
51047	Isotope_Atom_Count	0
9934678	Non-hydrogen_Atom_Count	29
2724259	Structure_Complexity	999
53851	Molecular_Weight	317.5
24181099	Isotope_Atom_Count	0
129654248	Undefined_Bond_Stereo_Count	0
11945	Total_Formal_Charge	0
439341	Defined_Atom_Stereo_Count	10
14643618	Molecular_Weight	114.14
79127	Mono_Isotopic_Weight	108.093900383
480242	Rotatable_Bond_Count	2
49057	Defined_Atom_Stereo_Count	0
549318	Structure_Complexity	105
87481019	TPSA	17.1
50905713	Mono_Isotopic_Weight	416.1152369
87293	Undefined_Bond_Stereo_Count	0
11569	Defined_Atom_Stereo_Count	0
403591	Undefined_Atom_Stereo_Count	0
14082	Tautomer_Count	1
30981	Defined_Bond_Stereo_Count	0
3958	Molecular_Weight	321.2
24200857	TPSA	3.2
11589590	XLogP3-AA	5.9
136729	Structure_Complexity	66.4
12732836	Exact_Mass	153.151749610
129730	Covalent_Unit_Count	1
91697	Structure_Complexity	179
11064502	Hydrogen_Bond_Acceptor_Count	7
8653	Exact_Mass	216.0341926
10333	Exact_Mass	124.052429494
7619	Non-hydrogen_Atom_Count	16
9900	Defined_Atom_Stereo_Count	0
9825070	Total_Formal_Charge	0
18335911	Total_Formal_Charge	0
20491	Hydrogen_Bond_Acceptor_Count	3
136657690	Total_Formal_Charge	0
20134527	Exact_Mass	98.073164938
17779	Total_Formal_Charge	0
17963201	Undefined_Bond_Stereo_Count	0
5569	Defined_Atom_Stereo_Count	0
47318	TPSA	109
123690360	Total_Formal_Charge	0
10143006	Hydrogen_Bond_Acceptor_Count	11
69333672	Mono_Isotopic_Weight	108.032362755
4913256	Undefined_Atom_Stereo_Count	0
81459	Hydrogen_Bond_Acceptor_Count	1
77676	Structure_Complexity	151
19040	Structure_Complexity	59.4
443880	Total_Formal_Charge	0
5284439	Defined_Atom_Stereo_Count	0
627679	Hydrogen_Bond_Acceptor_Count	4
24202578	Total_Formal_Charge	0
13930	Undefined_Bond_Stereo_Count	0
6539017	XLogP3-AA	3
24848345	Undefined_Atom_Stereo_Count	2
122445050	TPSA	116
84623	Isotope_Atom_Count	0
3083714	Structure_Complexity	2010
91742	Hydrogen_Bond_Donor_Count	1
20024	Non-hydrogen_Atom_Count	5
138076	Structure_Complexity	60.1
3824520	TPSA	17.1
4205037	Rotatable_Bond_Count	13
10964334	Exact_Mass	1388.93119660
13231	Hydrogen_Bond_Donor_Count	1
34203	XLogP3-AA	2
427860	Undefined_Bond_Stereo_Count	0
221071	Isotope_Atom_Count	0
15448	Hydrogen_Bond_Acceptor_Count	1
13757192	Rotatable_Bond_Count	2
77222	Molecular_Weight	564.09
46926350	Defined_Atom_Stereo_Count	1
87716431	Exact_Mass	1058.0796341
6925	Undefined_Bond_Stereo_Count	0
8196	Defined_Bond_Stereo_Count	0
71381729	Total_Formal_Charge	0
20149888	Undefined_Atom_Stereo_Count	0
123630180	Exact_Mass	108.093900383
3544692	Total_Formal_Charge	0
12375523	XLogP3-AA	0.3
12705072	TPSA	20.2
564751	Undefined_Bond_Stereo_Count	0
58221868	Undefined_Bond_Stereo_Count	0
10331	XLogP3	2.4
9848818	Tautomer_Count	2
71300410	Rotatable_Bond_Count	0
457801	Mono_Isotopic_Weight	414.386166214
18312	Hydrogen_Bond_Acceptor_Count	0
29393	Hydrogen_Bond_Acceptor_Count	8
3047822	Mono_Isotopic_Weight	204.11100700
448133	Hydrogen_Bond_Acceptor_Count	9
107428	Molecular_Weight	180.16
45266545	Exact_Mass	862.09212908
7854	Isotope_Atom_Count	0
86380	Molecular_Weight	197.23
219145	Hydrogen_Bond_Donor_Count	0
10500527	Mono_Isotopic_Weight	389.05447821
91148	Undefined_Atom_Stereo_Count	2
9601349	Tautomer_Count	1
90753032	Covalent_Unit_Count	1
87428	TPSA	27.7
11546350	Undefined_Atom_Stereo_Count	0
13172504	XLogP3-AA	1.6
582708	Exact_Mass	356.08644947
22636790	Undefined_Bond_Stereo_Count	0
91707	Molecular_Weight	361.8
169682	Mono_Isotopic_Weight	200.06194880
91536	Undefined_Atom_Stereo_Count	0
65474	Mono_Isotopic_Weight	338.1583477
139583540	TPSA	140
118027	Mono_Isotopic_Weight	140.083729621
15677	Covalent_Unit_Count	1
11625425	XLogP3-AA	3.4
53778	Isotope_Atom_Count	0
24748573	Non-hydrogen_Atom_Count	25
2860	Rotatable_Bond_Count	1
75197	Hydrogen_Bond_Acceptor_Count	4
163090690	Exact_Mass	842.51400504
10442928	XLogP3-AA	5
12698	Isotope_Atom_Count	0
4051541	Hydrogen_Bond_Donor_Count	1
1683	Tautomer_Count	1
456718	Mono_Isotopic_Weight	270.11167570
56974851	Rotatable_Bond_Count	3
82953	Undefined_Bond_Stereo_Count	0
71365	Isotope_Atom_Count	0
11225102	Rotatable_Bond_Count	6
10887857	Covalent_Unit_Count	1
1046	Mono_Isotopic_Weight	123.043261792
80875	Exact_Mass	462.136827821
158144361	TPSA	40.5
153241	Exact_Mass	452.16958450
53763878	Isotope_Atom_Count	0
84866	Mono_Isotopic_Weight	191.058243149
71366347	Undefined_Atom_Stereo_Count	2
3605	Undefined_Bond_Stereo_Count	0
2624	Covalent_Unit_Count	1
7734	XLogP3-AA	3.5
8472	Covalent_Unit_Count	1
14643175	Undefined_Atom_Stereo_Count	1
7528	Total_Formal_Charge	0
70484261	Rotatable_Bond_Count	0
6858240	Tautomer_Count	6
29629	Mono_Isotopic_Weight	160.109944368
44123551	Undefined_Bond_Stereo_Count	0
201990	TPSA	28.7
80	Molecular_Weight	172.13
12339043	Total_Formal_Charge	0
59896759	Defined_Atom_Stereo_Count	0
71458236	Total_Formal_Charge	0
54160801	Hydrogen_Bond_Acceptor_Count	2
67629	Hydrogen_Bond_Acceptor_Count	1
359137	Undefined_Atom_Stereo_Count	2
66417	XLogP3-AA	2.9
101942760	Non-hydrogen_Atom_Count	17
44310781	Covalent_Unit_Count	1
6004	Total_Formal_Charge	0
35489	Hydrogen_Bond_Donor_Count	2
49857672	Rotatable_Bond_Count	8
1232	Rotatable_Bond_Count	0
24752	Rotatable_Bond_Count	8
4579	Exact_Mass	428.32904526
53694406	Defined_Bond_Stereo_Count	0
5514	Total_Formal_Charge	0
79059	Isotope_Atom_Count	0
3878	Hydrogen_Bond_Donor_Count	2
6168	Defined_Bond_Stereo_Count	0
98954	Isotope_Atom_Count	0
1548	Hydrogen_Bond_Donor_Count	3
411312	Molecular_Weight	299.4
4628	Non-hydrogen_Atom_Count	19
398495	Non-hydrogen_Atom_Count	22
20571541	Hydrogen_Bond_Donor_Count	1
54758307	Isotope_Atom_Count	0
442866	Hydrogen_Bond_Donor_Count	5
23279315	Structure_Complexity	78.9
46916	Rotatable_Bond_Count	5
144813235	Isotope_Atom_Count	0
20275	Undefined_Bond_Stereo_Count	0
75755	Defined_Atom_Stereo_Count	0
31738	Total_Formal_Charge	0
135410702	Mono_Isotopic_Weight	471.15024603
13639659	Defined_Bond_Stereo_Count	0
747	Structure_Complexity	574
20689	Covalent_Unit_Count	1
6875	Mono_Isotopic_Weight	248.152477885
156651923	TPSA	21.8
20701649	Undefined_Atom_Stereo_Count	1
102175	Covalent_Unit_Count	1
16686	Defined_Bond_Stereo_Count	0
81415113	Undefined_Bond_Stereo_Count	0
67631	Tautomer_Count	1
13158	Structure_Complexity	118
7624	Structure_Complexity	322
8501	Exact_Mass	173.9639201
4456	Undefined_Atom_Stereo_Count	0
2734180	Hydrogen_Bond_Acceptor_Count	5
16084	Hydrogen_Bond_Donor_Count	3
123249588	Mono_Isotopic_Weight	416.32904526
285897	Total_Formal_Charge	0
13809010	Total_Formal_Charge	0
22262513	Mono_Isotopic_Weight	99.068413911
91825716	Hydrogen_Bond_Donor_Count	0
135452521	Structure_Complexity	1720
7761	Undefined_Bond_Stereo_Count	0
73920	Structure_Complexity	754
192275	Hydrogen_Bond_Acceptor_Count	5
23667636	Defined_Atom_Stereo_Count	0
5284597	Defined_Atom_Stereo_Count	6
63116	Non-hydrogen_Atom_Count	21
59	Isotope_Atom_Count	0
10142377	Structure_Complexity	878
58550597	Molecular_Weight	96.13
85032	Undefined_Bond_Stereo_Count	0
162883448	Covalent_Unit_Count	1
22224160	XLogP3-AA	2.4
135705228	Total_Formal_Charge	0
2387	XLogP3-AA	1
9961	Exact_Mass	124.03358575
55284046	Structure_Complexity	55.7
72924	Exact_Mass	139.026943022
23700188	Undefined_Bond_Stereo_Count	0
2595	Defined_Atom_Stereo_Count	0
3014017	TPSA	37.3
10364	Hydrogen_Bond_Acceptor_Count	1
5283078	Undefined_Bond_Stereo_Count	0
21023678	Rotatable_Bond_Count	0
20770532	Mono_Isotopic_Weight	111.068413911
70685	Covalent_Unit_Count	1
5544	TPSA	115
73951506	Molecular_Weight	531.4
22544	Isotope_Atom_Count	0
78607	XLogP3-AA	1.2
45120354	Non-hydrogen_Atom_Count	8
175468	Tautomer_Count	2
447569	Defined_Atom_Stereo_Count	2
5282439	Total_Formal_Charge	0
8192	Molecular_Weight	204.78
71470	Exact_Mass	518.26798174
12295520	Exact_Mass	110.084398327
220001	Defined_Bond_Stereo_Count	0
7907	Defined_Atom_Stereo_Count	0
452498	Exact_Mass	282.09641956
13355	Hydrogen_Bond_Donor_Count	2
11344362	Covalent_Unit_Count	1
19460	Defined_Atom_Stereo_Count	0
10248	Total_Formal_Charge	0
2771871	Hydrogen_Bond_Acceptor_Count	3
54778	Undefined_Atom_Stereo_Count	0
69319	Undefined_Bond_Stereo_Count	0
22034820	Hydrogen_Bond_Acceptor_Count	2
69388	Exact_Mass	98.036779430
112711232	Total_Formal_Charge	0
53315110	Non-hydrogen_Atom_Count	18
70715	Molecular_Weight	96.09
16215	Isotope_Atom_Count	0
104181	Hydrogen_Bond_Donor_Count	1
44629653	Isotope_Atom_Count	0
44559553	Total_Formal_Charge	0
56955286	XLogP3-AA	3.7
115212	Non-hydrogen_Atom_Count	38
20200448	Molecular_Weight	112.13
69503325	Hydrogen_Bond_Donor_Count	4
22833341	Mono_Isotopic_Weight	554.016873
932	Exact_Mass	272.06847348
91298647	Defined_Atom_Stereo_Count	0
18726540	Undefined_Atom_Stereo_Count	2
5899	Mono_Isotopic_Weight	180.01466183
137808	Molecular_Weight	93.13
56842327	Isotope_Atom_Count	0
43193	Total_Formal_Charge	0
4168142	Isotope_Atom_Count	0
65373	Undefined_Atom_Stereo_Count	0
24917008	Exact_Mass	290.23313350
54758035	Covalent_Unit_Count	1
37419	Defined_Atom_Stereo_Count	0
9143	Mono_Isotopic_Weight	202.078250319
68552	Undefined_Bond_Stereo_Count	0
146159909	Total_Formal_Charge	0
80376	Covalent_Unit_Count	1
1341	XLogP3-AA	3.3
154544	Mono_Isotopic_Weight	231.08954328
1519	Defined_Atom_Stereo_Count	0
122235961	Undefined_Atom_Stereo_Count	2
118216	Hydrogen_Bond_Acceptor_Count	1
131682	Covalent_Unit_Count	1
258	Hydrogen_Bond_Acceptor_Count	7
72187528	Defined_Bond_Stereo_Count	0
2723942	Undefined_Bond_Stereo_Count	0
98051216	Hydrogen_Bond_Donor_Count	0
5334	Rotatable_Bond_Count	4
25715	Covalent_Unit_Count	2
125032907	Defined_Atom_Stereo_Count	6
12636246	Structure_Complexity	72.5
8138	XLogP3	4.2
961	Undefined_Atom_Stereo_Count	0
105426996	Covalent_Unit_Count	1
7989	Isotope_Atom_Count	0
53671684	Undefined_Bond_Stereo_Count	1
6872	XLogP3	3.3
53856650	Mono_Isotopic_Weight	110.109550447
141630	Isotope_Atom_Count	0
17336	Mono_Isotopic_Weight	226.09535693
36667	Hydrogen_Bond_Acceptor_Count	1
89356917	Undefined_Bond_Stereo_Count	0
545093	Hydrogen_Bond_Donor_Count	1
61948	Mono_Isotopic_Weight	263.88977
130153178	Hydrogen_Bond_Acceptor_Count	3
34327	Undefined_Atom_Stereo_Count	0
67313	Defined_Atom_Stereo_Count	0
260809	Non-hydrogen_Atom_Count	9
70967	Non-hydrogen_Atom_Count	11
20220664	Hydrogen_Bond_Acceptor_Count	2
44480399	Undefined_Bond_Stereo_Count	0
2723822	Non-hydrogen_Atom_Count	7
53687318	Undefined_Atom_Stereo_Count	0
2392	Total_Formal_Charge	0
6918242	Hydrogen_Bond_Acceptor_Count	9
59022	Hydrogen_Bond_Acceptor_Count	2
135546482	Isotope_Atom_Count	0
6440871	Hydrogen_Bond_Acceptor_Count	7
3476986	Molecular_Weight	292.3
14147082	Defined_Bond_Stereo_Count	0
64397633	XLogP3-AA	0.7
11228650	Covalent_Unit_Count	1
518713	Undefined_Bond_Stereo_Count	0
44570851	TPSA	86.5
134925337	Defined_Bond_Stereo_Count	0
12309464	Hydrogen_Bond_Donor_Count	0
91543	Covalent_Unit_Count	1
443100	Rotatable_Bond_Count	8
51025660	Isotope_Atom_Count	0
22269415	Exact_Mass	99.068413911
54582823	XLogP3-AA	1.5
10945834	Mono_Isotopic_Weight	280.13107373
156907991	Covalent_Unit_Count	2
13039	Defined_Atom_Stereo_Count	0
53672	Tautomer_Count	1
688009	Rotatable_Bond_Count	3
8996	Structure_Complexity	343
676328	Defined_Bond_Stereo_Count	0
8779	Covalent_Unit_Count	6
4437320	Undefined_Bond_Stereo_Count	0
20535613	Structure_Complexity	52
14025	Hydrogen_Bond_Donor_Count	0
444655	Molecular_Weight	121.16
556380	XLogP3-AA	1
129629387	Covalent_Unit_Count	1
21487318	Total_Formal_Charge	0
3033953	Hydrogen_Bond_Acceptor_Count	9
3033017	Exact_Mass	242.10889899
22628430	Rotatable_Bond_Count	1
104902	Exact_Mass	720.40329008
54144952	Structure_Complexity	119
18424759	Undefined_Atom_Stereo_Count	0
89518758	Exact_Mass	342.11621151
9259	Exact_Mass	80.037448136
13791	XLogP3	6
72200409	Defined_Bond_Stereo_Count	0
17751002	Hydrogen_Bond_Acceptor_Count	5
4012	Molecular_Weight	790.8
85728	Rotatable_Bond_Count	1
53247304	Hydrogen_Bond_Acceptor_Count	2
7540	Defined_Bond_Stereo_Count	0
91668	Defined_Atom_Stereo_Count	6
6432565	Mono_Isotopic_Weight	272.177630004
3049771	Hydrogen_Bond_Acceptor_Count	4
124770287	Hydrogen_Bond_Donor_Count	7
4687937	Total_Formal_Charge	0
42609610	Tautomer_Count	11
12385064	Non-hydrogen_Atom_Count	8
57641	Hydrogen_Bond_Acceptor_Count	3
12514	Non-hydrogen_Atom_Count	7
51029603	Hydrogen_Bond_Donor_Count	0
18506396	Isotope_Atom_Count	0
505	Isotope_Atom_Count	0
91471800	Undefined_Atom_Stereo_Count	0
7170	Rotatable_Bond_Count	5
292	Mono_Isotopic_Weight	565.07100571
3548422	Covalent_Unit_Count	1
6427044	Structure_Complexity	2070
9473	Hydrogen_Bond_Donor_Count	0
3813	Structure_Complexity	977
87409	Undefined_Bond_Stereo_Count	0
99564	TPSA	25.2
69341269	Exact_Mass	112.063662883
12550	Hydrogen_Bond_Acceptor_Count	9
216269	Total_Formal_Charge	0
704233	Total_Formal_Charge	0
9855548	Defined_Atom_Stereo_Count	0
11962143	Structure_Complexity	327
413538	Defined_Bond_Stereo_Count	0
146158182	Rotatable_Bond_Count	4
25171666	Undefined_Atom_Stereo_Count	0
5236	Mono_Isotopic_Weight	77.00388246
851390	Defined_Atom_Stereo_Count	0
11973	Structure_Complexity	543
57475673	Molecular_Weight	125.4
5195	Isotope_Atom_Count	0
10975462	Rotatable_Bond_Count	5
54585737	Total_Formal_Charge	0
71345	Structure_Complexity	446
6917976	Molecular_Weight	1079.3
24341	Non-hydrogen_Atom_Count	2
52944459	Molecular_Weight	381.4
18726560	Defined_Atom_Stereo_Count	0
10599	Structure_Complexity	364
137184495	Structure_Complexity	714
132777208	Mono_Isotopic_Weight	342.11621151
90551	Defined_Bond_Stereo_Count	0
38307	Total_Formal_Charge	0
4690	XLogP3-AA	2.7
237	Hydrogen_Bond_Donor_Count	1
81818	Covalent_Unit_Count	1
66509091	Covalent_Unit_Count	1
3699	Total_Formal_Charge	0
163578456	Undefined_Bond_Stereo_Count	0
25023837	XLogP3-AA	4.3
177955	Non-hydrogen_Atom_Count	16
84733	Total_Formal_Charge	0
11671	Isotope_Atom_Count	0
5484438	Tautomer_Count	3
220502	Isotope_Atom_Count	0
10080510	Total_Formal_Charge	0
7465	Exact_Mass	136.088815002
72401	Non-hydrogen_Atom_Count	30
12372797	Defined_Atom_Stereo_Count	0
69333884	XLogP3-AA	0.4
101417452	Covalent_Unit_Count	5
751505	Hydrogen_Bond_Acceptor_Count	4
17045	XLogP3-AA	0.5
97747	Rotatable_Bond_Count	11
13765	Total_Formal_Charge	0
23673837	Isotope_Atom_Count	0
123015	Exact_Mass	238.110613074
4109	Covalent_Unit_Count	1
145325785	Undefined_Bond_Stereo_Count	0
58385	Rotatable_Bond_Count	9
199614	Structure_Complexity	387
11741	TPSA	94.6
53465849	Rotatable_Bond_Count	6
9813758	Undefined_Bond_Stereo_Count	0
44345665	Covalent_Unit_Count	1
66319	Rotatable_Bond_Count	1
87079616	Non-hydrogen_Atom_Count	8
60196430	Total_Formal_Charge	0
71474517	Molecular_Weight	1001.3
12201381	Undefined_Atom_Stereo_Count	0
37251	Hydrogen_Bond_Donor_Count	0
5464924	Defined_Bond_Stereo_Count	0
72492	Hydrogen_Bond_Acceptor_Count	17
23207045	Covalent_Unit_Count	1
60154326	Defined_Bond_Stereo_Count	0
5281004	Defined_Atom_Stereo_Count	8
49792792	Structure_Complexity	415
44392176	Rotatable_Bond_Count	10
4740	Hydrogen_Bond_Acceptor_Count	4
89248	Defined_Atom_Stereo_Count	0
11327	Rotatable_Bond_Count	0
39688	Structure_Complexity	450
81638	Mono_Isotopic_Weight	223.0036207
86309268	Rotatable_Bond_Count	3
4989215	Defined_Atom_Stereo_Count	0
9049	Hydrogen_Bond_Acceptor_Count	1
21673601	Mono_Isotopic_Weight	276.14739250
3773	Hydrogen_Bond_Acceptor_Count	3
179822	Tautomer_Count	1
57394598	Structure_Complexity	705
32597	TPSA	38.3
4015	Structure_Complexity	428
518700	Hydrogen_Bond_Donor_Count	0
86384	Undefined_Atom_Stereo_Count	0
46174141	Defined_Bond_Stereo_Count	1
91486	Mono_Isotopic_Weight	301.298079487
18397995	Structure_Complexity	962
13624278	Defined_Atom_Stereo_Count	0
8978	Undefined_Atom_Stereo_Count	0
54685920	Exact_Mass	480.1299435
5497143	Covalent_Unit_Count	1
68651	Isotope_Atom_Count	0
94671	Total_Formal_Charge	0
6996	Hydrogen_Bond_Acceptor_Count	1
62264	Defined_Bond_Stereo_Count	0
20429	Undefined_Atom_Stereo_Count	1
7192	XLogP3	2.8
139782102	Non-hydrogen_Atom_Count	7
42395	Undefined_Bond_Stereo_Count	0
9395	Defined_Atom_Stereo_Count	0
14459508	Hydrogen_Bond_Donor_Count	1
5329020	Hydrogen_Bond_Acceptor_Count	8
99915	Exact_Mass	210.115698455
61249	Defined_Atom_Stereo_Count	0
58936	Exact_Mass	289.1345753
82763	XLogP3-AA	2.8
66265	Mono_Isotopic_Weight	231.12348400
11565	Rotatable_Bond_Count	0
1166	Mono_Isotopic_Weight	566.05502130
512984	Defined_Atom_Stereo_Count	0
11304	Structure_Complexity	132
66136	Hydrogen_Bond_Acceptor_Count	4
21998212	TPSA	52.3
1810216	Defined_Bond_Stereo_Count	0
118010650	Structure_Complexity	77.7
18000118	Molecular_Weight	101.15
44338843	XLogP3-AA	2.9
169110	Undefined_Bond_Stereo_Count	0
5289143	Rotatable_Bond_Count	24
62517	Mono_Isotopic_Weight	576.156552
504571	Hydrogen_Bond_Donor_Count	1
49865703	Hydrogen_Bond_Donor_Count	2
19956670	Undefined_Atom_Stereo_Count	1
44310710	Covalent_Unit_Count	1
7128	Mono_Isotopic_Weight	178.099379685
22323434	Defined_Bond_Stereo_Count	0
25137911	Undefined_Atom_Stereo_Count	1
71308696	Undefined_Atom_Stereo_Count	1
6321411	Molecular_Weight	453.5
58599	Non-hydrogen_Atom_Count	22
369976	Rotatable_Bond_Count	7
147873	Mono_Isotopic_Weight	240.10111102
139062656	Molecular_Weight	2357.2
28102	Non-hydrogen_Atom_Count	23
134497	Defined_Bond_Stereo_Count	0
129073603	Defined_Bond_Stereo_Count	0
198576	Molecular_Weight	313.5
12351158	Non-hydrogen_Atom_Count	7
22448	TPSA	45.8
10470290	Hydrogen_Bond_Acceptor_Count	4
84658	Covalent_Unit_Count	1
13276908	Exact_Mass	97.052763847
1438038	Defined_Bond_Stereo_Count	0
44560703	Mono_Isotopic_Weight	331.09906259
9901	Exact_Mass	312.208930132
1181	Covalent_Unit_Count	1
56658436	Defined_Atom_Stereo_Count	0
1420	Rotatable_Bond_Count	12
726050	Hydrogen_Bond_Acceptor_Count	2
21522	Non-hydrogen_Atom_Count	17
6850791	Total_Formal_Charge	0
68723	TPSA	57.7
87612217	Hydrogen_Bond_Donor_Count	1
55331	Defined_Bond_Stereo_Count	0
22843	Exact_Mass	505.9524465
681274	Defined_Atom_Stereo_Count	0
187079	Non-hydrogen_Atom_Count	30
71679410	Exact_Mass	419.34787550
249778	XLogP3-AA	0.1
8888	Hydrogen_Bond_Acceptor_Count	1
381117	Hydrogen_Bond_Acceptor_Count	5
57521916	Total_Formal_Charge	0
5362689	Isotope_Atom_Count	0
135411	Exact_Mass	398.18819469
22678982	Structure_Complexity	365
126962001	Non-hydrogen_Atom_Count	55
53394037	XLogP3-AA	2.3
2673	XLogP3	0.4
853433	Hydrogen_Bond_Donor_Count	1
27686	Hydrogen_Bond_Acceptor_Count	11
140557163	Undefined_Atom_Stereo_Count	2
16217215	Isotope_Atom_Count	0
520660	Undefined_Bond_Stereo_Count	0
25102847	Undefined_Bond_Stereo_Count	0
350445	Defined_Bond_Stereo_Count	0
11560414	Total_Formal_Charge	0
310	Structure_Complexity	168
7350	Total_Formal_Charge	0
19220	TPSA	20.3
87322	Hydrogen_Bond_Acceptor_Count	6
20055558	TPSA	153
53801928	TPSA	55.8
43536	Exact_Mass	354.230728204
751826	XLogP3	0.5
5537	Defined_Bond_Stereo_Count	0
69215	TPSA	52.6
44392105	Total_Formal_Charge	0
14897389	Defined_Atom_Stereo_Count	0
229932	Mono_Isotopic_Weight	96.032362755
10887985	Mono_Isotopic_Weight	138.140850574
75836	Mono_Isotopic_Weight	214.193280068
11380778	Total_Formal_Charge	0
41893	Undefined_Bond_Stereo_Count	0
7048538	Exact_Mass	299.201105100
67258371	Defined_Atom_Stereo_Count	0
79267	Undefined_Bond_Stereo_Count	0
151248	Exact_Mass	233.9865910
65646	Non-hydrogen_Atom_Count	32
59473233	Exact_Mass	411.18075832
4469994	Hydrogen_Bond_Donor_Count	2
21662703	Exact_Mass	108.068748264
701186	Defined_Atom_Stereo_Count	1
12797557	Total_Formal_Charge	0
136586	Defined_Bond_Stereo_Count	0
23283113	TPSA	0
140606019	TPSA	34
5020	Undefined_Bond_Stereo_Count	0
18715492	Isotope_Atom_Count	0
14543958	Isotope_Atom_Count	0
44392161	Undefined_Atom_Stereo_Count	0
33938	Undefined_Atom_Stereo_Count	0
118689592	Mono_Isotopic_Weight	665.30474055
4534	Undefined_Atom_Stereo_Count	2
19606581	Total_Formal_Charge	0
213037	Molecular_Weight	576.5
656609	Undefined_Atom_Stereo_Count	0
12576852	Rotatable_Bond_Count	1
33037	Non-hydrogen_Atom_Count	14
123489618	Non-hydrogen_Atom_Count	8
10021783	Molecular_Weight	366.3
54580844	Total_Formal_Charge	0
9872438	Defined_Atom_Stereo_Count	0
3375	Mono_Isotopic_Weight	410.19048031
13329881	Structure_Complexity	58.7
129691409	Undefined_Atom_Stereo_Count	0
76366	Rotatable_Bond_Count	36
74442	Hydrogen_Bond_Acceptor_Count	2
23663969	Covalent_Unit_Count	2
72627	Hydrogen_Bond_Donor_Count	2
5032	Total_Formal_Charge	0
55291303	Hydrogen_Bond_Acceptor_Count	2
3033050	Structure_Complexity	869
45410	Rotatable_Bond_Count	12
16218636	Undefined_Atom_Stereo_Count	0
13769849	Molecular_Weight	493.5
123753428	Defined_Bond_Stereo_Count	0
90737888	Non-hydrogen_Atom_Count	7
9872780	Rotatable_Bond_Count	8
5364759	Tautomer_Count	1
54075	Total_Formal_Charge	0
135749823	Exact_Mass	680.24757729
2799	XLogP3-AA	8.1
156008	Non-hydrogen_Atom_Count	9
30819	Hydrogen_Bond_Donor_Count	4
84	Undefined_Atom_Stereo_Count	6
57396149	Rotatable_Bond_Count	7
29863	Rotatable_Bond_Count	2
65332	Defined_Bond_Stereo_Count	0
40390	Rotatable_Bond_Count	3
13023558	XLogP3-AA	0.6
388136	Rotatable_Bond_Count	1
51397515	Mono_Isotopic_Weight	545.09131438
8799	Undefined_Bond_Stereo_Count	0
140377273	Undefined_Atom_Stereo_Count	0
5281771	TPSA	324
27295	Defined_Atom_Stereo_Count	0
137706167	Hydrogen_Bond_Acceptor_Count	16
6742	Structure_Complexity	605
10236	Exact_Mass	178.02660867
14798	Defined_Bond_Stereo_Count	0
66755	Isotope_Atom_Count	0
22068766	Defined_Bond_Stereo_Count	0
5527	Isotope_Atom_Count	0
79784	Total_Formal_Charge	0
20632752	Defined_Bond_Stereo_Count	0
22220875	Undefined_Atom_Stereo_Count	0
5284631	Undefined_Bond_Stereo_Count	0
12563	TPSA	0
22385729	Hydrogen_Bond_Donor_Count	2
12596780	Exact_Mass	78.010564683
52942030	Exact_Mass	437.19148337
6438149	Rotatable_Bond_Count	12
8422	Isotope_Atom_Count	0
72200863	Exact_Mass	554.32301113
102515443	Hydrogen_Bond_Acceptor_Count	12
85693614	Molecular_Weight	117.15
84221363	Mono_Isotopic_Weight	98.048012819
23160050	Hydrogen_Bond_Donor_Count	0
57939635	Rotatable_Bond_Count	1
44717	Undefined_Bond_Stereo_Count	0
198068	Hydrogen_Bond_Donor_Count	0
20665999	Covalent_Unit_Count	1
15788110	Hydrogen_Bond_Donor_Count	3
52934127	Tautomer_Count	2
129816	Undefined_Atom_Stereo_Count	1
21900379	Rotatable_Bond_Count	4
5194779	Covalent_Unit_Count	1
56430	Defined_Atom_Stereo_Count	0
15122661	Isotope_Atom_Count	0
13546	Exact_Mass	114.068079557
8858	Molecular_Weight	98.14
82191	Non-hydrogen_Atom_Count	8
22556	XLogP3	4.6
11675641	Undefined_Atom_Stereo_Count	0
565610	Rotatable_Bond_Count	15
3462	Defined_Atom_Stereo_Count	0
89164217	Hydrogen_Bond_Acceptor_Count	2
9934032	Defined_Atom_Stereo_Count	0
20996	TPSA	0
13092476	Non-hydrogen_Atom_Count	8
6451464	Covalent_Unit_Count	1
14511	Undefined_Atom_Stereo_Count	0
66591148	Total_Formal_Charge	0
81058	Hydrogen_Bond_Acceptor_Count	2
91772	Isotope_Atom_Count	0
164	Defined_Atom_Stereo_Count	0
88269064	Molecular_Weight	113.11
23063442	Defined_Atom_Stereo_Count	0
44320150	Tautomer_Count	16
62882	Isotope_Atom_Count	0
3658056	Total_Formal_Charge	0
11513721	Rotatable_Bond_Count	20
13766702	TPSA	9.2
6545	Defined_Atom_Stereo_Count	0
22833307	Rotatable_Bond_Count	6
21718	Hydrogen_Bond_Acceptor_Count	8
14092185	Total_Formal_Charge	0
2900	Total_Formal_Charge	0
33786	Undefined_Atom_Stereo_Count	0
44350128	XLogP3-AA	1.5
6950274	Structure_Complexity	270
23680518	Structure_Complexity	957
136871	Structure_Complexity	42.6
53762932	Undefined_Bond_Stereo_Count	0
6116	Exact_Mass	157.9891995
105037	Molecular_Weight	153.18
32742	Molecular_Weight	114.14
74015886	Structure_Complexity	483
54567	Undefined_Bond_Stereo_Count	0
2723716	Defined_Bond_Stereo_Count	0
71575294	Isotope_Atom_Count	0
6195	TPSA	17.1
76902	Rotatable_Bond_Count	6
299643	Hydrogen_Bond_Donor_Count	1
99435	TPSA	81
54758309	Undefined_Bond_Stereo_Count	0
16211032	Non-hydrogen_Atom_Count	23
17880	Molecular_Weight	680.7
9957766	TPSA	105
24901348	Exact_Mass	531.1150183
53322382	Hydrogen_Bond_Acceptor_Count	4
55284153	Hydrogen_Bond_Acceptor_Count	3
181976	Undefined_Atom_Stereo_Count	0
59755737	Hydrogen_Bond_Donor_Count	0
29675	Structure_Complexity	591
16682804	Undefined_Atom_Stereo_Count	0
54710212	Total_Formal_Charge	0
16958	Defined_Bond_Stereo_Count	0
4144353	Hydrogen_Bond_Acceptor_Count	4
640997	Structure_Complexity	37.9
8147	Undefined_Atom_Stereo_Count	0
88043	Rotatable_Bond_Count	1
7751	Hydrogen_Bond_Acceptor_Count	2
59567216	Defined_Bond_Stereo_Count	0
18755109	Isotope_Atom_Count	0
105101	Structure_Complexity	255
10145345	Total_Formal_Charge	0
21885122	Rotatable_Bond_Count	4
54688683	Non-hydrogen_Atom_Count	45
58513815	Exact_Mass	98.084398327
3972	TPSA	54.7
9801597	Structure_Complexity	647
13017	Total_Formal_Charge	0
492405	Total_Formal_Charge	0
4141	Hydrogen_Bond_Donor_Count	0
147610634	TPSA	26
55290394	Exact_Mass	113.047678466
70684313	Mono_Isotopic_Weight	411.15560620
394397	Exact_Mass	265.01572689
89152969	Exact_Mass	114.104465066
49937	Hydrogen_Bond_Donor_Count	1
10184774	TPSA	116
5017	TPSA	63.6
337218	Molecular_Weight	382.4
11625386	TPSA	72.7
439192	Isotope_Atom_Count	0
11097730	Undefined_Atom_Stereo_Count	0
508194	Mono_Isotopic_Weight	667.40975519
70268689	XLogP3-AA	0.2
23667568	TPSA	85.8
87653	Covalent_Unit_Count	1
12754184	Mono_Isotopic_Weight	97.089149355
527072	Isotope_Atom_Count	0
19070	Undefined_Atom_Stereo_Count	0
6451155	Covalent_Unit_Count	1
3813	XLogP3-AA	2.8
6656	Molecular_Weight	100.12
409438	Non-hydrogen_Atom_Count	12
65708	Hydrogen_Bond_Donor_Count	2
21996	Undefined_Atom_Stereo_Count	1
118460906	Hydrogen_Bond_Donor_Count	8
14474501	Structure_Complexity	109
136316	Non-hydrogen_Atom_Count	8
12747521	Exact_Mass	107.048347172
12521030	Total_Formal_Charge	0
3032282	Rotatable_Bond_Count	40
25203624	Exact_Mass	374.1457717
95270	Total_Formal_Charge	0
5280757	Molecular_Weight	905.0
122361564	Tautomer_Count	15
58618581	Non-hydrogen_Atom_Count	12
165971	Total_Formal_Charge	0
29927142	Hydrogen_Bond_Donor_Count	2
5463858	Hydrogen_Bond_Acceptor_Count	5
3718	TPSA	57.6
15590756	Mono_Isotopic_Weight	94.016712692
15309593	XLogP3-AA	1.2
13743295	Hydrogen_Bond_Donor_Count	0
1964	Defined_Bond_Stereo_Count	0
13113546	TPSA	29.1
75714	Isotope_Atom_Count	0
6918257	Defined_Atom_Stereo_Count	0
9917968	Hydrogen_Bond_Donor_Count	6
439568	Tautomer_Count	1
457	Isotope_Atom_Count	0
365673	Mono_Isotopic_Weight	438.2186393
67488	Defined_Bond_Stereo_Count	0
322968	Rotatable_Bond_Count	2
658	Isotope_Atom_Count	0
56949747	Covalent_Unit_Count	1
13334205	Covalent_Unit_Count	1
81151	Tautomer_Count	2
3047751	Mono_Isotopic_Weight	309.12257474
73162904	Non-hydrogen_Atom_Count	21
31954	Mono_Isotopic_Weight	194.094294304
34041	Isotope_Atom_Count	0
7681	Defined_Bond_Stereo_Count	0
60668	Rotatable_Bond_Count	7
1248527	Covalent_Unit_Count	1
609492	Covalent_Unit_Count	1
21138	Covalent_Unit_Count	1
36671	Defined_Bond_Stereo_Count	0
23080901	XLogP3-AA	0.1
140066067	Undefined_Bond_Stereo_Count	0
5464344	Structure_Complexity	590
16639	Covalent_Unit_Count	1
5045307	Hydrogen_Bond_Acceptor_Count	21
441261	Undefined_Atom_Stereo_Count	0
26798	Non-hydrogen_Atom_Count	22
20253250	Covalent_Unit_Count	1
23925	Undefined_Bond_Stereo_Count	0
760	Non-hydrogen_Atom_Count	5
24865620	Hydrogen_Bond_Acceptor_Count	5
11158091	Defined_Atom_Stereo_Count	8
6266	Defined_Atom_Stereo_Count	0
15166	Total_Formal_Charge	0
12232	Isotope_Atom_Count	0
40466858	Rotatable_Bond_Count	5
436497	Isotope_Atom_Count	0
123328983	Undefined_Bond_Stereo_Count	0
20253	Defined_Bond_Stereo_Count	0
7680	Covalent_Unit_Count	1
5460056	Covalent_Unit_Count	1
87363	Total_Formal_Charge	0
21122483	Structure_Complexity	176
53326032	XLogP3-AA	1.8
9895194	Isotope_Atom_Count	0
60510	Isotope_Atom_Count	0
91735	TPSA	51.2
2653	Undefined_Atom_Stereo_Count	2
7714	Molecular_Weight	184.27
406167	Undefined_Atom_Stereo_Count	0
398633	XLogP3-AA	4.2
87110	Rotatable_Bond_Count	0
12732837	Hydrogen_Bond_Acceptor_Count	1
2864	TPSA	108
12263	Covalent_Unit_Count	1
6918160	Structure_Complexity	399
60342	Non-hydrogen_Atom_Count	20
354520	Total_Formal_Charge	0
898	Molecular_Weight	301.19
78759	Total_Formal_Charge	0
20695	TPSA	41.5
7807	Hydrogen_Bond_Donor_Count	1
59771	Total_Formal_Charge	0
441	Isotope_Atom_Count	0
71679	Total_Formal_Charge	0
135678081	Mono_Isotopic_Weight	556.14312602
143047391	Mono_Isotopic_Weight	87.068413911
704205	Undefined_Atom_Stereo_Count	0
137105	Undefined_Atom_Stereo_Count	0
59055623	TPSA	0
12724530	Defined_Atom_Stereo_Count	0
12468302	Defined_Atom_Stereo_Count	0
140765	Structure_Complexity	93.7
44864	Undefined_Bond_Stereo_Count	0
118010650	Undefined_Atom_Stereo_Count	0
90865	Hydrogen_Bond_Acceptor_Count	2
48758	Rotatable_Bond_Count	3
259577	Non-hydrogen_Atom_Count	30
60196414	Undefined_Bond_Stereo_Count	0
151707353	Molecular_Weight	112.13
71573986	XLogP3-AA	1.3
87112	Rotatable_Bond_Count	1
6688	XLogP3	3.7
54688	Hydrogen_Bond_Donor_Count	4
28961	Covalent_Unit_Count	1
10597	Undefined_Bond_Stereo_Count	0
165571	Undefined_Atom_Stereo_Count	0
22206	XLogP3	3.1
6450830	Hydrogen_Bond_Donor_Count	3
19877808	Hydrogen_Bond_Acceptor_Count	2
124143	Total_Formal_Charge	0
57484773	Molecular_Weight	94.15
97065	Hydrogen_Bond_Donor_Count	0
10772937	Tautomer_Count	1
20578853	Undefined_Atom_Stereo_Count	2
52943333	Isotope_Atom_Count	0
44456889	Structure_Complexity	469
449284	Defined_Atom_Stereo_Count	0
447966	Isotope_Atom_Count	0
16048613	Hydrogen_Bond_Donor_Count	3
13762	Structure_Complexity	216
12705044	Hydrogen_Bond_Donor_Count	0
39752	Defined_Atom_Stereo_Count	0
134537	Structure_Complexity	750
5352449	Defined_Bond_Stereo_Count	2
91185	TPSA	41.8
5352728	TPSA	75.9
101743295	Structure_Complexity	441
87962	Isotope_Atom_Count	0
71572	Tautomer_Count	2
2202	Structure_Complexity	287
6394935	Defined_Atom_Stereo_Count	0
20685	Exact_Mass	346.18273264
527568	Defined_Bond_Stereo_Count	0
87671446	Exact_Mass	112.027277375
96379	Isotope_Atom_Count	0
130027214	Rotatable_Bond_Count	0
274070	Rotatable_Bond_Count	2
91670	XLogP3	4.2
580753	Undefined_Bond_Stereo_Count	0
135398737	XLogP3-AA	3.1
19370943	Undefined_Atom_Stereo_Count	0
123716071	Hydrogen_Bond_Acceptor_Count	1
2312	Mono_Isotopic_Weight	289.240564612
12275362	Non-hydrogen_Atom_Count	8
11684684	Molecular_Weight	496.0
44589090	Undefined_Bond_Stereo_Count	0
5368396	Tautomer_Count	1
15575641	Structure_Complexity	138
154552978	Defined_Atom_Stereo_Count	0
70819549	Exact_Mass	330.13848159
59999797	Defined_Atom_Stereo_Count	0
13961743	Defined_Atom_Stereo_Count	0
15012	Hydrogen_Bond_Acceptor_Count	1
101944072	Defined_Bond_Stereo_Count	0
439520	XLogP3-AA	3.6
162883450	Mono_Isotopic_Weight	527.23263824
36633	Hydrogen_Bond_Acceptor_Count	5
68527	Covalent_Unit_Count	1
9589475	Defined_Bond_Stereo_Count	1
6015	Hydrogen_Bond_Donor_Count	0
5366244	Hydrogen_Bond_Donor_Count	1
101543	Structure_Complexity	517
118972006	XLogP3-AA	1.5
24971342	Undefined_Bond_Stereo_Count	0
1281	Isotope_Atom_Count	0
137941	Non-hydrogen_Atom_Count	8
15940197	Defined_Atom_Stereo_Count	7
7222	Hydrogen_Bond_Acceptor_Count	2
17499	Undefined_Bond_Stereo_Count	0
108938	Rotatable_Bond_Count	1
171995	Covalent_Unit_Count	3
24482	Defined_Atom_Stereo_Count	0
11392	Total_Formal_Charge	0
19161	Mono_Isotopic_Weight	326.16304257
638057	Total_Formal_Charge	0
181	Total_Formal_Charge	0
196879	Undefined_Bond_Stereo_Count	0
71430	Tautomer_Count	1
381117	TPSA	112
59317190	Defined_Atom_Stereo_Count	1
10537	Undefined_Bond_Stereo_Count	0
106	Structure_Complexity	186
68321727	Defined_Bond_Stereo_Count	0
602	Covalent_Unit_Count	1
4358655	Hydrogen_Bond_Acceptor_Count	3
134839321	Molecular_Weight	905.0
24759089	Isotope_Atom_Count	0
14643618	Hydrogen_Bond_Acceptor_Count	2
3018598	Hydrogen_Bond_Acceptor_Count	6
3034024	Defined_Atom_Stereo_Count	0
41092	Molecular_Weight	138.21
25014511	Defined_Bond_Stereo_Count	0
165701938	Defined_Bond_Stereo_Count	0
57587000	Structure_Complexity	84.5
53970191	Molecular_Weight	112.17
72809410	Covalent_Unit_Count	1
62539	TPSA	34.1
439250	Non-hydrogen_Atom_Count	10
135419182	Mono_Isotopic_Weight	538.01413629
20232410	Covalent_Unit_Count	1
1268142	Defined_Atom_Stereo_Count	3
53832747	Isotope_Atom_Count	0
23571381	Undefined_Bond_Stereo_Count	0
25167777	Non-hydrogen_Atom_Count	36
12266	Non-hydrogen_Atom_Count	7
89555	Hydrogen_Bond_Donor_Count	0
3037565	Non-hydrogen_Atom_Count	23
13519	Undefined_Bond_Stereo_Count	0
7963	Isotope_Atom_Count	0
54151808	Mono_Isotopic_Weight	114.104465066
52716	Molecular_Weight	399.8
10295295	Tautomer_Count	1
88922160	Covalent_Unit_Count	3
625295	Rotatable_Bond_Count	7
12817963	Covalent_Unit_Count	1
192160	Rotatable_Bond_Count	0
110968	Non-hydrogen_Atom_Count	9
124921376	Hydrogen_Bond_Acceptor_Count	14
60155182	Hydrogen_Bond_Donor_Count	0
5795731	Defined_Atom_Stereo_Count	0
611834	Non-hydrogen_Atom_Count	25
89100	Defined_Atom_Stereo_Count	0
13037933	Exact_Mass	1201.84136802
5284585	Hydrogen_Bond_Acceptor_Count	5
24892842	Isotope_Atom_Count	0
10307849	Defined_Atom_Stereo_Count	0
158800	Defined_Bond_Stereo_Count	0
7019016	Undefined_Atom_Stereo_Count	0
77751	XLogP3-AA	2.9
118797621	Rotatable_Bond_Count	1
22274879	Structure_Complexity	104
67507057	Exact_Mass	116.058577502
76714	Covalent_Unit_Count	1
71541177	Structure_Complexity	522
6624	Non-hydrogen_Atom_Count	17
153643637	Defined_Bond_Stereo_Count	0
119205	Molecular_Weight	358.4
548545	Covalent_Unit_Count	1
5353830	Total_Formal_Charge	0
9223	Molecular_Weight	118.13
53315110	Undefined_Bond_Stereo_Count	0
5347	Exact_Mass	820.53704916
10920463	Defined_Bond_Stereo_Count	0
19031167	Exact_Mass	101.120449483
19366304	Defined_Atom_Stereo_Count	0
14986	Total_Formal_Charge	0
166918	TPSA	6
20933	Isotope_Atom_Count	0
5319879	Rotatable_Bond_Count	19
72758	TPSA	41.5
6914	Undefined_Bond_Stereo_Count	0
44134877	Molecular_Weight	958.9
96770	Molecular_Weight	236.22
10059810	Rotatable_Bond_Count	2
53893761	Undefined_Bond_Stereo_Count	0
3827	Mono_Isotopic_Weight	309.11873540
520769	Mono_Isotopic_Weight	112.01359920
95116	Exact_Mass	210.00205114
5275508	Total_Formal_Charge	0
14496	XLogP3-AA	0
613589	Tautomer_Count	1
15367	Mono_Isotopic_Weight	102.05032149
16767284	Undefined_Atom_Stereo_Count	0
9330	Non-hydrogen_Atom_Count	24
8819	Hydrogen_Bond_Acceptor_Count	6
71449585	Defined_Bond_Stereo_Count	0
6476006	Mono_Isotopic_Weight	230.094294304
408	Isotope_Atom_Count	0
20388	Molecular_Weight	534.1
71311389	Mono_Isotopic_Weight	257.925853
10568280	XLogP3-AA	2
88762442	TPSA	58.9
40945	Hydrogen_Bond_Donor_Count	0
633366	Structure_Complexity	335
3731	Rotatable_Bond_Count	10
6452481	Hydrogen_Bond_Acceptor_Count	2
91586	Rotatable_Bond_Count	2
14456	TPSA	27.7
3526	XLogP3-AA	1.7
9905875	Defined_Atom_Stereo_Count	1
50989726	Molecular_Weight	97.16
60196314	Defined_Atom_Stereo_Count	1
20752947	Covalent_Unit_Count	1
4621	Total_Formal_Charge	0
448388	Undefined_Bond_Stereo_Count	0
13795008	Exact_Mass	97.052763847
11356283	Mono_Isotopic_Weight	211.08445790
402871	Hydrogen_Bond_Donor_Count	0
62097	Tautomer_Count	2
3045225	Mono_Isotopic_Weight	243.137162174
14354	Undefined_Atom_Stereo_Count	0
16052007	TPSA	137
441278	Defined_Atom_Stereo_Count	3
16154396	Hydrogen_Bond_Acceptor_Count	22
71986	Exact_Mass	284.0927701
15558640	Covalent_Unit_Count	1
161930	Isotope_Atom_Count	0
94396	Structure_Complexity	233
8012	Hydrogen_Bond_Acceptor_Count	1
69347980	Covalent_Unit_Count	1
13422580	Defined_Atom_Stereo_Count	18
9570093	Undefined_Bond_Stereo_Count	0
2733797	Isotope_Atom_Count	0
25563891	Mono_Isotopic_Weight	241.110278721
122669	Defined_Atom_Stereo_Count	0
135887830	Hydrogen_Bond_Donor_Count	21
41384	Defined_Bond_Stereo_Count	0
6973664	Undefined_Bond_Stereo_Count	0
98094	Molecular_Weight	128.22
15774823	Structure_Complexity	106
230826	Defined_Atom_Stereo_Count	0
117717938	Defined_Atom_Stereo_Count	1
12642447	Hydrogen_Bond_Donor_Count	0
70989	Undefined_Bond_Stereo_Count	0
5367417	Molecular_Weight	80.13
73086	Non-hydrogen_Atom_Count	11
303892	Structure_Complexity	306
124021837	Defined_Atom_Stereo_Count	0
135391044	Undefined_Atom_Stereo_Count	0
9823781	Defined_Bond_Stereo_Count	0
115011059	Total_Formal_Charge	0
10996	Non-hydrogen_Atom_Count	7
9808654	Exact_Mass	592.3059301
12755803	TPSA	9.2
16115	XLogP3	3.5
9901	Isotope_Atom_Count	0
21803156	Rotatable_Bond_Count	1
18200	Tautomer_Count	1
77290	TPSA	52.6
14536538	XLogP3-AA	4.9
96380	Isotope_Atom_Count	0
6263	Structure_Complexity	45.5
37918	Isotope_Atom_Count	0
80881	Total_Formal_Charge	0
4255874	Covalent_Unit_Count	3
73851	Non-hydrogen_Atom_Count	16
12513438	Undefined_Atom_Stereo_Count	0
56955180	Defined_Bond_Stereo_Count	0
118733511	Undefined_Bond_Stereo_Count	0
45358180	Mono_Isotopic_Weight	882.34445505
46937059	Mono_Isotopic_Weight	281.10519334
93898	Defined_Atom_Stereo_Count	0
11542775	Rotatable_Bond_Count	3
69885	Defined_Atom_Stereo_Count	0
3052	Undefined_Bond_Stereo_Count	0
551188	Undefined_Bond_Stereo_Count	0
7249	Undefined_Atom_Stereo_Count	0
24751	Non-hydrogen_Atom_Count	7
13215601	Undefined_Bond_Stereo_Count	0
13950368	Exact_Mass	98.036779430
62155	Defined_Atom_Stereo_Count	0
3763	XLogP3	2.1
20295235	Covalent_Unit_Count	1
8060	Non-hydrogen_Atom_Count	6
4952	TPSA	74.6
13838	Non-hydrogen_Atom_Count	9
111026	Tautomer_Count	1
25517	Total_Formal_Charge	0
7013	Covalent_Unit_Count	1
21887872	Undefined_Atom_Stereo_Count	0
129885959	Covalent_Unit_Count	1
15580	Undefined_Bond_Stereo_Count	0
64427	Defined_Atom_Stereo_Count	0
11946	Exact_Mass	174.042927438
71304	Defined_Bond_Stereo_Count	0
12257272	Rotatable_Bond_Count	1
30545	Covalent_Unit_Count	1
6980	XLogP3	2.5
148335	Defined_Bond_Stereo_Count	0
81601	Tautomer_Count	1
6437859	Mono_Isotopic_Weight	224.1080262
67529	Defined_Atom_Stereo_Count	0
9923162	XLogP3-AA	2.3
12868288	Exact_Mass	114.104465066
154525053	Molecular_Weight	106.16
123600	Tautomer_Count	5
11077077	Undefined_Bond_Stereo_Count	0
149514	Total_Formal_Charge	0
30199	Rotatable_Bond_Count	0
47979	TPSA	119
21343689	Covalent_Unit_Count	1
44392137	Exact_Mass	530.26031425
45157716	Hydrogen_Bond_Acceptor_Count	8
248703	Total_Formal_Charge	0
10313102	XLogP3-AA	0.3
73170	Rotatable_Bond_Count	0
637892	Defined_Bond_Stereo_Count	1
12415	Hydrogen_Bond_Donor_Count	0
15612	Hydrogen_Bond_Donor_Count	0
57395978	Isotope_Atom_Count	0
118209838	Defined_Bond_Stereo_Count	0
76537	Hydrogen_Bond_Acceptor_Count	2
70691270	Covalent_Unit_Count	1
53317123	Total_Formal_Charge	0
15032	Total_Formal_Charge	0
58420420	Undefined_Atom_Stereo_Count	0
33722	Non-hydrogen_Atom_Count	7
3293	Undefined_Atom_Stereo_Count	0
14236864	Hydrogen_Bond_Donor_Count	2
13878	Undefined_Atom_Stereo_Count	0
15211200	Isotope_Atom_Count	0
79875564	Hydrogen_Bond_Donor_Count	1
5311399	Hydrogen_Bond_Acceptor_Count	5
16907	Total_Formal_Charge	0
23668353	Structure_Complexity	262
12933274	Undefined_Atom_Stereo_Count	0
42614	TPSA	104
27304	Undefined_Bond_Stereo_Count	0
91087925	Molecular_Weight	97.16
2238	Covalent_Unit_Count	1
4223	Rotatable_Bond_Count	7
80274	Hydrogen_Bond_Donor_Count	3
12452021	Total_Formal_Charge	0
2746	Covalent_Unit_Count	1
93896	XLogP3-AA	5.6
5284530	TPSA	225
6420039	Isotope_Atom_Count	0
7020094	Molecular_Weight	270.24
46964	Defined_Bond_Stereo_Count	0
1059	Isotope_Atom_Count	0
6436057	Structure_Complexity	548
54206132	Non-hydrogen_Atom_Count	7
10131132	Structure_Complexity	222
71436	Non-hydrogen_Atom_Count	33
59703148	Structure_Complexity	64.7
70377524	Non-hydrogen_Atom_Count	18
2097	Undefined_Bond_Stereo_Count	0
54586719	Non-hydrogen_Atom_Count	22
24466	Non-hydrogen_Atom_Count	17
7840	Rotatable_Bond_Count	1
21723	Covalent_Unit_Count	1
20838085	Covalent_Unit_Count	2
82452	Defined_Atom_Stereo_Count	0
146683214	Total_Formal_Charge	0
6937	Exact_Mass	164.120115130
643789	Undefined_Bond_Stereo_Count	0
10534635	Structure_Complexity	98.3
134460917	Molecular_Weight	504.6
22706689	Rotatable_Bond_Count	1
694634	Mono_Isotopic_Weight	270.136827821
57057056	Hydrogen_Bond_Donor_Count	1
79717	Undefined_Atom_Stereo_Count	0
547935	Hydrogen_Bond_Donor_Count	1
5316860	Tautomer_Count	1
15806	Covalent_Unit_Count	1
3246495	TPSA	142
27567	Total_Formal_Charge	0
98694	Undefined_Bond_Stereo_Count	0
131411056	Mono_Isotopic_Weight	108.068748264
101626738	TPSA	146
974	Tautomer_Count	2
10247670	Hydrogen_Bond_Donor_Count	1
6029	Isotope_Atom_Count	0
64762	Molecular_Weight	471.0
15732451	Hydrogen_Bond_Acceptor_Count	3
6429029	Undefined_Atom_Stereo_Count	1
6419902	Rotatable_Bond_Count	11
13912815	Hydrogen_Bond_Donor_Count	2
4421	Mono_Isotopic_Weight	232.08479225
12023	Isotope_Atom_Count	0
11831043	Defined_Atom_Stereo_Count	5
11863	Undefined_Bond_Stereo_Count	0
446069	Structure_Complexity	417
70882	Defined_Bond_Stereo_Count	0
12828792	Rotatable_Bond_Count	2
36933	Undefined_Atom_Stereo_Count	0
59868328	XLogP3-AA	3.3
22320975	Defined_Bond_Stereo_Count	0
448537	Mono_Isotopic_Weight	268.146329876
18506396	Undefined_Atom_Stereo_Count	3
11105655	Hydrogen_Bond_Donor_Count	0
58242	Molecular_Weight	250.29
12799845	Isotope_Atom_Count	0
15485370	Undefined_Bond_Stereo_Count	0
25607	Hydrogen_Bond_Acceptor_Count	0
5324279	TPSA	32.6
545317	Molecular_Weight	226.27
77067	Defined_Atom_Stereo_Count	0
589692	Defined_Bond_Stereo_Count	0
69834	Tautomer_Count	1
10428273	Total_Formal_Charge	0
3041256	Undefined_Atom_Stereo_Count	0
22975832	Non-hydrogen_Atom_Count	7
15474	Covalent_Unit_Count	2
58489260	Undefined_Atom_Stereo_Count	2
39385	Total_Formal_Charge	0
5281612	Mono_Isotopic_Weight	300.06338810
11534927	Covalent_Unit_Count	1
7978	Hydrogen_Bond_Donor_Count	1
71586775	Molecular_Weight	360.31
5283305	Mono_Isotopic_Weight	240.245315640
44570629	Rotatable_Bond_Count	5
24997747	Undefined_Atom_Stereo_Count	0
6420019	Defined_Atom_Stereo_Count	0
70487	Hydrogen_Bond_Donor_Count	4
70689446	Exact_Mass	396.19098865
9918460	Exact_Mass	747.47822867
3062316	Structure_Complexity	642
23684827	Covalent_Unit_Count	2
18353957	Mono_Isotopic_Weight	111.068413911
12622120	Rotatable_Bond_Count	3
5360487	Isotope_Atom_Count	0
14359581	Structure_Complexity	92.5
15590756	Defined_Atom_Stereo_Count	0
20220682	Rotatable_Bond_Count	4
6021893	Undefined_Bond_Stereo_Count	0
58911	Undefined_Bond_Stereo_Count	0
137118	Molecular_Weight	96.17
5237	TPSA	37.3
8076	Defined_Bond_Stereo_Count	0
2618	Mono_Isotopic_Weight	454.03001448
69994	Molecular_Weight	156.61
137375527	Mono_Isotopic_Weight	406.04292
69334703	Undefined_Bond_Stereo_Count	0
57992122	Hydrogen_Bond_Acceptor_Count	4
20274687	Rotatable_Bond_Count	0
11880	Rotatable_Bond_Count	1
6324599	Covalent_Unit_Count	2
13196775	Undefined_Atom_Stereo_Count	0
594832	Exact_Mass	160.063662883
99049	Defined_Atom_Stereo_Count	0
15561101	Molecular_Weight	172.18
4698	Exact_Mass	361.13477939
13734208	Undefined_Bond_Stereo_Count	0
174174	Non-hydrogen_Atom_Count	21
6915732	Mono_Isotopic_Weight	179.07937252
91384976	Mono_Isotopic_Weight	665.30474055
13113	Defined_Bond_Stereo_Count	0
2303	Rotatable_Bond_Count	3
297777	TPSA	109
54045	Undefined_Atom_Stereo_Count	0
96299	Defined_Bond_Stereo_Count	0
98615047	XLogP3-AA	4
70717	Mono_Isotopic_Weight	113.047678466
1120	Defined_Bond_Stereo_Count	0
11716665	Undefined_Atom_Stereo_Count	0
56625	XLogP3-AA	3.1
67518	Covalent_Unit_Count	1
14120104	Structure_Complexity	78.2
56755	Exact_Mass	298.051880
71360359	Exact_Mass	108.057514874
12964	Rotatable_Bond_Count	2
124809078	Defined_Bond_Stereo_Count	0
963	Isotope_Atom_Count	0
11013485	Structure_Complexity	502
78373	Tautomer_Count	1
5391612	Molecular_Weight	299.28
90547	Undefined_Atom_Stereo_Count	0
6450478	Exact_Mass	340.08163887
2723715	Defined_Atom_Stereo_Count	0
55255285	Mono_Isotopic_Weight	111.068413911
413539	Hydrogen_Bond_Acceptor_Count	6
5148195	TPSA	29.5
96135	Isotope_Atom_Count	0
10001337	Rotatable_Bond_Count	3
55298920	TPSA	29.1
44456	Defined_Bond_Stereo_Count	0
44259	Hydrogen_Bond_Donor_Count	2
84647715	Defined_Bond_Stereo_Count	0
121494085	Hydrogen_Bond_Acceptor_Count	55
18705389	Undefined_Atom_Stereo_Count	1
89149682	Non-hydrogen_Atom_Count	7
70038	XLogP3	3.2
3066538	Undefined_Bond_Stereo_Count	0
18717626	Structure_Complexity	50
11170938	Covalent_Unit_Count	1
66071945	Exact_Mass	111.068413911
521701	Covalent_Unit_Count	5
22645860	Isotope_Atom_Count	0
14619629	Total_Formal_Charge	0
4456484	Exact_Mass	634.11920615
13428	Molecular_Weight	260.9
10892	Isotope_Atom_Count	0
6321411	Non-hydrogen_Atom_Count	30
60208760	Defined_Bond_Stereo_Count	0
129769827	Defined_Bond_Stereo_Count	0
4672596	Undefined_Bond_Stereo_Count	0
97747	Molecular_Weight	254.41
734999	Undefined_Bond_Stereo_Count	0
68841	Covalent_Unit_Count	1
6610318	XLogP3-AA	1.2
45488110	Defined_Bond_Stereo_Count	0
19649	TPSA	336
12367598	TPSA	37.3
56659844	Mono_Isotopic_Weight	457.22262313
441278	Exact_Mass	285.209264485
102470202	TPSA	264
2933256	Isotope_Atom_Count	0
70652	Covalent_Unit_Count	1
70235	Mono_Isotopic_Weight	98.073164938
139149	Covalent_Unit_Count	1
5371102	TPSA	46.5
74517	Tautomer_Count	1
65327	Covalent_Unit_Count	2
21642	Isotope_Atom_Count	0
66704467	Defined_Bond_Stereo_Count	0
11263485	Defined_Atom_Stereo_Count	0
4111803	Isotope_Atom_Count	0
971023	Rotatable_Bond_Count	6
398652	Isotope_Atom_Count	0
11278075	Undefined_Bond_Stereo_Count	0
4368	Total_Formal_Charge	0
442	Defined_Bond_Stereo_Count	0
71329	Exact_Mass	441.13921332
28332	Non-hydrogen_Atom_Count	39
69818	Undefined_Atom_Stereo_Count	0
69135	Undefined_Bond_Stereo_Count	0
94043	TPSA	106
45259401	Hydrogen_Bond_Donor_Count	2
10930	Non-hydrogen_Atom_Count	7
4194	Mono_Isotopic_Weight	883.45654973
6713988	Hydrogen_Bond_Donor_Count	4
47455	Hydrogen_Bond_Acceptor_Count	5
12749134	Undefined_Bond_Stereo_Count	0
78557	TPSA	9.7
21631	Undefined_Bond_Stereo_Count	0
60196331	Exact_Mass	309.01312
867	Hydrogen_Bond_Acceptor_Count	4
5460797	Covalent_Unit_Count	1
12347118	Molecular_Weight	116.16
56663315	Undefined_Atom_Stereo_Count	0
11870427	Undefined_Bond_Stereo_Count	0
220401	Defined_Bond_Stereo_Count	0
13082758	Non-hydrogen_Atom_Count	7
453251	Defined_Atom_Stereo_Count	0
137700140	Mono_Isotopic_Weight	369.0880191
10406	Defined_Bond_Stereo_Count	0
1805	TPSA	141
254021	Undefined_Bond_Stereo_Count	0
43457	Undefined_Atom_Stereo_Count	0
36217	TPSA	179
712446	Undefined_Bond_Stereo_Count	0
452498	TPSA	143
29831	Total_Formal_Charge	0
164076539	Defined_Bond_Stereo_Count	0
137214744	Molecular_Weight	796.9
10177	Defined_Bond_Stereo_Count	0
28145921	Rotatable_Bond_Count	9
449362	Exact_Mass	991.32922577
6549	Molecular_Weight	154.25
24901351	Isotope_Atom_Count	0
84937	Defined_Bond_Stereo_Count	0
58082088	Mono_Isotopic_Weight	116.083729621
70789197	Defined_Atom_Stereo_Count	9
10047141	Rotatable_Bond_Count	5
11385	Mono_Isotopic_Weight	194.084398327
20266	Hydrogen_Bond_Acceptor_Count	4
16197727	Non-hydrogen_Atom_Count	118
87363	Non-hydrogen_Atom_Count	7
160470	Hydrogen_Bond_Acceptor_Count	3
12201383	Undefined_Bond_Stereo_Count	0
12995	Defined_Atom_Stereo_Count	0
56845780	Defined_Atom_Stereo_Count	4
82650925	Non-hydrogen_Atom_Count	8
62795	Exact_Mass	453.25152322
23405789	XLogP3-AA	1.6
7683	Mono_Isotopic_Weight	212.97893
9984	Defined_Atom_Stereo_Count	0
88707373	Exact_Mass	105.078978594
160801313	Exact_Mass	112.052429494
146156882	Defined_Atom_Stereo_Count	5
23568550	Rotatable_Bond_Count	1
16722836	Mono_Isotopic_Weight	524.25696021
6715	Rotatable_Bond_Count	1
13707493	Undefined_Atom_Stereo_Count	0
774	Hydrogen_Bond_Acceptor_Count	2
23235	XLogP3	4.9
6426739	Molecular_Weight	349.4
718618	Isotope_Atom_Count	0
2732	Structure_Complexity	564
131752808	Hydrogen_Bond_Donor_Count	0
129721137	Defined_Atom_Stereo_Count	6
134551	Defined_Bond_Stereo_Count	0
21562395	Rotatable_Bond_Count	2
59819	Undefined_Atom_Stereo_Count	1
56955280	XLogP3-AA	4.6
7225	XLogP3-AA	2.2
58199	Structure_Complexity	329
87953	Undefined_Atom_Stereo_Count	0
146159872	Hydrogen_Bond_Acceptor_Count	17
65817	Molecular_Weight	228.33
118994155	Defined_Atom_Stereo_Count	0
11073376	Isotope_Atom_Count	0
7029	Defined_Atom_Stereo_Count	0
66811197	Defined_Atom_Stereo_Count	0
190714	XLogP3-AA	1.3
11747	Total_Formal_Charge	0
10111264	Hydrogen_Bond_Acceptor_Count	5
11137890	Undefined_Atom_Stereo_Count	0
71371	TPSA	191
1416277	Tautomer_Count	3
23688976	Non-hydrogen_Atom_Count	14
54518010	Isotope_Atom_Count	0
25271818	Molecular_Weight	337.4
44352805	Mono_Isotopic_Weight	519.14640670
57398166	Structure_Complexity	605
5922	Molecular_Weight	123.11
69342023	Isotope_Atom_Count	0
2971	Molecular_Weight	322.4
12285862	Mono_Isotopic_Weight	180.06338810
131737226	Molecular_Weight	308.92
65374	Rotatable_Bond_Count	5
533427	Undefined_Bond_Stereo_Count	1
123492457	Hydrogen_Bond_Acceptor_Count	0
14647	XLogP3-AA	4.7
442504	Undefined_Atom_Stereo_Count	0
9843744	Covalent_Unit_Count	1
9548620	Defined_Bond_Stereo_Count	1
90725416	Mono_Isotopic_Weight	904.44565070
642110	Hydrogen_Bond_Donor_Count	1
101921	Defined_Bond_Stereo_Count	0
5460389	Mono_Isotopic_Weight	167.03443370
644020	Exact_Mass	234.209598838
9230	Exact_Mass	117.057849228
10373	Molecular_Weight	247.33
70695756	Defined_Bond_Stereo_Count	0
23983765	Rotatable_Bond_Count	4
75427	Rotatable_Bond_Count	5
114506	Non-hydrogen_Atom_Count	21
35405	Defined_Atom_Stereo_Count	0
10894	Total_Formal_Charge	0
62705859	Non-hydrogen_Atom_Count	33
23283113	Undefined_Bond_Stereo_Count	0
135398599	Tautomer_Count	6
65573725	Total_Formal_Charge	0
37933	Rotatable_Bond_Count	11
338733	Defined_Bond_Stereo_Count	0
70687384	Rotatable_Bond_Count	3
123942782	Undefined_Bond_Stereo_Count	0
5311176	Total_Formal_Charge	0
57402653	Isotope_Atom_Count	0
89559	Molecular_Weight	154.21
11717001	Isotope_Atom_Count	0
11326715	Total_Formal_Charge	0
12260	XLogP3-AA	3.1
23675341	Hydrogen_Bond_Acceptor_Count	12
21278826	Covalent_Unit_Count	1
146159501	TPSA	35.5
49866945	Defined_Bond_Stereo_Count	0
16426	Undefined_Bond_Stereo_Count	0
57750364	Undefined_Atom_Stereo_Count	1
21162823	Exact_Mass	102.068079557
5281771	Covalent_Unit_Count	1
154522078	Total_Formal_Charge	0
53643	Isotope_Atom_Count	0
9868580	Undefined_Bond_Stereo_Count	0
9579050	Rotatable_Bond_Count	4
76714	XLogP3-AA	1
23279022	Hydrogen_Bond_Donor_Count	2
2099	Structure_Complexity	442
94599	Defined_Bond_Stereo_Count	0
53735	Isotope_Atom_Count	0
3078519	Rotatable_Bond_Count	2
58143028	XLogP3-AA	1.2
24900426	Isotope_Atom_Count	0
12321786	Rotatable_Bond_Count	3
32607	Non-hydrogen_Atom_Count	17
21823	Mono_Isotopic_Weight	217.110278721
32249	Total_Formal_Charge	0
4486	Tautomer_Count	9
123831	Covalent_Unit_Count	1
54712667	Undefined_Atom_Stereo_Count	0
6168933	Rotatable_Bond_Count	40
21942786	TPSA	46.3
94313	Hydrogen_Bond_Acceptor_Count	2
24846	Mono_Isotopic_Weight	164.01030715
19782729	Defined_Bond_Stereo_Count	0
9045	Hydrogen_Bond_Donor_Count	2
24758983	Molecular_Weight	420.4
517441	Non-hydrogen_Atom_Count	11
87833	TPSA	55.1
10877064	Non-hydrogen_Atom_Count	8
40302	Hydrogen_Bond_Acceptor_Count	3
5311027	TPSA	89.8
10923804	Molecular_Weight	275.37
146160078	Mono_Isotopic_Weight	384.17841785
27016	Exact_Mass	283.157228913
56680325	Covalent_Unit_Count	1
46909057	Structure_Complexity	557
10507011	Undefined_Bond_Stereo_Count	0
54203587	Total_Formal_Charge	0
30143	Mono_Isotopic_Weight	250.00847
7684	Undefined_Atom_Stereo_Count	0
9576891	Hydrogen_Bond_Acceptor_Count	5
16351	Mono_Isotopic_Weight	343.0909965
2884	Defined_Atom_Stereo_Count	0
3067	Rotatable_Bond_Count	4
668081	Non-hydrogen_Atom_Count	24
8188	Non-hydrogen_Atom_Count	12
1674	XLogP3	6.4
90996	Structure_Complexity	316
16490	Undefined_Atom_Stereo_Count	0
4164	Undefined_Bond_Stereo_Count	0
53232849	TPSA	21.6
24883429	Undefined_Atom_Stereo_Count	0
4845	Defined_Atom_Stereo_Count	0
16129620	Covalent_Unit_Count	1
12307804	Covalent_Unit_Count	1
59768	TPSA	67.8
202792	Exact_Mass	212.06981089
2822	Undefined_Bond_Stereo_Count	0
12927947	Undefined_Bond_Stereo_Count	0
14829	Structure_Complexity	2
6971070	XLogP3	1.3
444036	Mono_Isotopic_Weight	500.18442974
72700	Isotope_Atom_Count	0
5966	Non-hydrogen_Atom_Count	40
31472	Rotatable_Bond_Count	13
9422	Molecular_Weight	242.3
89144	Exact_Mass	240.151415257
44590515	Mono_Isotopic_Weight	500.19587943
455798	TPSA	138
54676478	Hydrogen_Bond_Acceptor_Count	3
95434	Exact_Mass	114.104465066
4779	Mono_Isotopic_Weight	335.09225967
637668	Undefined_Bond_Stereo_Count	0
9961	XLogP3	0.9
10215	Hydrogen_Bond_Donor_Count	2
11617559	Undefined_Atom_Stereo_Count	0
14930278	Isotope_Atom_Count	0
22035327	Structure_Complexity	151
71776101	Covalent_Unit_Count	1
74233	TPSA	20.2
83596	Covalent_Unit_Count	1
84141	Total_Formal_Charge	0
4023	TPSA	90.4
5351	Undefined_Bond_Stereo_Count	0
971	Molecular_Weight	90.03
341	Non-hydrogen_Atom_Count	23
11200	Hydrogen_Bond_Acceptor_Count	0
6059187	Defined_Atom_Stereo_Count	0
70695665	Structure_Complexity	432
5929	Rotatable_Bond_Count	3
640194	Molecular_Weight	234.29
530423	TPSA	17.1
38622	Tautomer_Count	2
18445434	Structure_Complexity	47
1551246	Covalent_Unit_Count	1
23338788	Molecular_Weight	100.12
736	Defined_Bond_Stereo_Count	0
24848345	Isotope_Atom_Count	0
10379137	Exact_Mass	284.11609238
44560808	TPSA	148
83883	Mono_Isotopic_Weight	313.13728131
162404783	Isotope_Atom_Count	0
135539077	Covalent_Unit_Count	1
153687585	XLogP3-AA	2.6
1131	Hydrogen_Bond_Acceptor_Count	8
24871329	Rotatable_Bond_Count	4
3154	XLogP3-AA	0.4
5717	XLogP3-AA	5.5
37563	Isotope_Atom_Count	0
44260118	Covalent_Unit_Count	1
73670	Non-hydrogen_Atom_Count	20
3271820	Isotope_Atom_Count	0
12338288	Molecular_Weight	112.17
76152	Undefined_Bond_Stereo_Count	0
24802109	Mono_Isotopic_Weight	310.1811912
3702	Hydrogen_Bond_Donor_Count	2
90973	Molecular_Weight	328.9
13257	Hydrogen_Bond_Donor_Count	0
9911830	Mono_Isotopic_Weight	454.1043974
6651	Defined_Bond_Stereo_Count	0
11105	Molecular_Weight	288.77
135415564	Hydrogen_Bond_Donor_Count	5
102306506	Defined_Atom_Stereo_Count	4
26514	Defined_Atom_Stereo_Count	0
9874838	Molecular_Weight	657.8
54582078	Mono_Isotopic_Weight	359.13150553
408714	Total_Formal_Charge	0
32742	Hydrogen_Bond_Acceptor_Count	2
10297065	Mono_Isotopic_Weight	441.06062622
118209838	Isotope_Atom_Count	0
12298558	Exact_Mass	115.063328530
8791	Non-hydrogen_Atom_Count	21
57445155	Undefined_Bond_Stereo_Count	0
7225	Undefined_Atom_Stereo_Count	0
545809	Molecular_Weight	200.28
163943218	Structure_Complexity	92.5
5003096	TPSA	67.4
153196846	Molecular_Weight	97.16
54655	TPSA	36.9
2775510	Isotope_Atom_Count	0
6047	Molecular_Weight	197.19
11051613	Undefined_Atom_Stereo_Count	1
9837243	Tautomer_Count	6
4369188	Structure_Complexity	1200
44404643	Total_Formal_Charge	0
9952396	Mono_Isotopic_Weight	391.24710654
54677756	Rotatable_Bond_Count	1
46916694	Mono_Isotopic_Weight	432.15460314
71406	Hydrogen_Bond_Donor_Count	1
633526	Mono_Isotopic_Weight	562.35758248
134	Hydrogen_Bond_Donor_Count	1
56598471	Molecular_Weight	406.4
63397	Tautomer_Count	1
67528035	Structure_Complexity	52
42006	Rotatable_Bond_Count	2
120057	Undefined_Bond_Stereo_Count	0
6433090	Molecular_Weight	319.4
94402	Total_Formal_Charge	0
461	Hydrogen_Bond_Donor_Count	0
921599	Exact_Mass	229.121512110
5328760	Rotatable_Bond_Count	3
53739	Rotatable_Bond_Count	3
11423563	Covalent_Unit_Count	1
7694	Exact_Mass	149.120449483
70377524	Undefined_Bond_Stereo_Count	0
68260836	Undefined_Atom_Stereo_Count	2
5894	Structure_Complexity	364
5362391	Undefined_Bond_Stereo_Count	0
13265779	Non-hydrogen_Atom_Count	7
61305	Undefined_Bond_Stereo_Count	0
122449120	Hydrogen_Bond_Acceptor_Count	2
83003418	Hydrogen_Bond_Donor_Count	1
3730	Structure_Complexity	653
4471892	Hydrogen_Bond_Acceptor_Count	2
91582439	Isotope_Atom_Count	0
2723	XLogP3	2
70359	Rotatable_Bond_Count	3
74886	Total_Formal_Charge	0
7579	Defined_Atom_Stereo_Count	0
25093485	TPSA	79.4
11953	Covalent_Unit_Count	1
31217	Undefined_Bond_Stereo_Count	0
5003	Tautomer_Count	1
158403	Defined_Atom_Stereo_Count	0
101694728	Total_Formal_Charge	0
10914	Non-hydrogen_Atom_Count	12
910	Rotatable_Bond_Count	5
22805729	Defined_Atom_Stereo_Count	1
57391554	Defined_Bond_Stereo_Count	0
715568	Non-hydrogen_Atom_Count	24
44368	Mono_Isotopic_Weight	266.109550447
144292374	Defined_Bond_Stereo_Count	0
54025583	TPSA	33
2127	Defined_Atom_Stereo_Count	0
12313849	TPSA	57.2
5287879	Non-hydrogen_Atom_Count	59
62351	Covalent_Unit_Count	1
131536	Undefined_Atom_Stereo_Count	0
19756	Molecular_Weight	184.19
11957609	Mono_Isotopic_Weight	433.21005233
23103366	Defined_Atom_Stereo_Count	0
75043	Non-hydrogen_Atom_Count	13
1133	Rotatable_Bond_Count	1
6400264	Rotatable_Bond_Count	1
2797779	XLogP3-AA	0.3
58679341	Mono_Isotopic_Weight	113.084063974
97032	TPSA	40.5
2724055	Structure_Complexity	232
7243	Total_Formal_Charge	0
45488101	XLogP3-AA	4.4
3049771	Exact_Mass	169.085126602
78225453	TPSA	95.5
44392124	Non-hydrogen_Atom_Count	36
1712095	Defined_Atom_Stereo_Count	0
44431182	Hydrogen_Bond_Acceptor_Count	10
11987858	Rotatable_Bond_Count	0
9846339	Defined_Bond_Stereo_Count	0
71081	Hydrogen_Bond_Donor_Count	0
53485229	Defined_Bond_Stereo_Count	0
83970	Hydrogen_Bond_Acceptor_Count	12
16211559	Total_Formal_Charge	0
23702994	Structure_Complexity	1340
90078292	Isotope_Atom_Count	0
45357473	Undefined_Atom_Stereo_Count	3
12634652	Molecular_Weight	80.13
118975693	Hydrogen_Bond_Acceptor_Count	2
47445	Covalent_Unit_Count	1
234237	Molecular_Weight	202.29
138	TPSA	63.3
1261	Defined_Atom_Stereo_Count	0
9047	Non-hydrogen_Atom_Count	19
96600	Covalent_Unit_Count	1
656580	Non-hydrogen_Atom_Count	27
12047567	Hydrogen_Bond_Acceptor_Count	19
56634286	Rotatable_Bond_Count	3
69061828	Mono_Isotopic_Weight	108.057514874
44412343	Defined_Bond_Stereo_Count	0
6070	Undefined_Atom_Stereo_Count	0
71309	Molecular_Weight	523.6
92155	Molecular_Weight	410.7
527256	Undefined_Atom_Stereo_Count	3
72614909	Total_Formal_Charge	0
13050985	Undefined_Atom_Stereo_Count	1
141187507	Defined_Atom_Stereo_Count	0
11333	Mono_Isotopic_Weight	342.11621151
542338	Undefined_Atom_Stereo_Count	0
5172	Rotatable_Bond_Count	4
102515495	Isotope_Atom_Count	0
10887834	Undefined_Atom_Stereo_Count	0
25058197	Exact_Mass	223.1127773
8250	TPSA	82.2
222	Undefined_Bond_Stereo_Count	0
444742	Mono_Isotopic_Weight	1379.2204766
20590622	Defined_Bond_Stereo_Count	0
980	Structure_Complexity	123
138062	TPSA	0
10482134	XLogP3-AA	6.7
115011049	Mono_Isotopic_Weight	112.052429494
65800	Tautomer_Count	1
139026156	Non-hydrogen_Atom_Count	23
153709385	Total_Formal_Charge	0
6918572	Total_Formal_Charge	0
562683	Structure_Complexity	386
6054	Defined_Bond_Stereo_Count	0
89240655	XLogP3-AA	1.1
71486	Undefined_Atom_Stereo_Count	1
11062343	Covalent_Unit_Count	1
183811	TPSA	138
96201	XLogP3-AA	4.9
7422	Defined_Bond_Stereo_Count	0
23519822	TPSA	151
1564	Defined_Bond_Stereo_Count	0
11163584	Undefined_Atom_Stereo_Count	1
11681509	Covalent_Unit_Count	1
66425	Undefined_Atom_Stereo_Count	0
3085106	Molecular_Weight	564.0
441374	Exact_Mass	582.20543769
76619	Defined_Bond_Stereo_Count	0
123392765	TPSA	67.9
35740	Mono_Isotopic_Weight	1287.5856
123451	Covalent_Unit_Count	1
399895	Molecular_Weight	271.31
282752	Total_Formal_Charge	0
253878	Non-hydrogen_Atom_Count	7
62960	Defined_Atom_Stereo_Count	2
3515	Covalent_Unit_Count	1
51051629	Rotatable_Bond_Count	4
73200935	Rotatable_Bond_Count	0
21365956	Molecular_Weight	281.31
10742787	Hydrogen_Bond_Donor_Count	4
99027	Structure_Complexity	43.3
135441757	Hydrogen_Bond_Acceptor_Count	2
49866023	TPSA	41.6
12175949	Defined_Bond_Stereo_Count	0
135449281	Rotatable_Bond_Count	2
13991585	Defined_Bond_Stereo_Count	1
68692	Defined_Bond_Stereo_Count	0
6328657	Isotope_Atom_Count	0
89602862	Mono_Isotopic_Weight	113.011292958
11260561	Undefined_Atom_Stereo_Count	0
12285870	Total_Formal_Charge	0
14026391	Covalent_Unit_Count	1
16590	Hydrogen_Bond_Acceptor_Count	2
26928	Defined_Bond_Stereo_Count	0
57398166	Undefined_Bond_Stereo_Count	0
13463348	Undefined_Bond_Stereo_Count	0
25171648	Covalent_Unit_Count	1
137705114	Defined_Atom_Stereo_Count	5
71234	Structure_Complexity	362
14045186	Non-hydrogen_Atom_Count	8
673473	Isotope_Atom_Count	0
11953153	Structure_Complexity	746
16212984	Non-hydrogen_Atom_Count	8
15908	Hydrogen_Bond_Acceptor_Count	3
16414	Mono_Isotopic_Weight	334.0906621
14919824	Exact_Mass	114.068079557
130866606	Undefined_Atom_Stereo_Count	2
23663407	Rotatable_Bond_Count	4
162059	Rotatable_Bond_Count	0
116161184	Isotope_Atom_Count	0
80165	Isotope_Atom_Count	0
23724526	Mono_Isotopic_Weight	383.10961
16667736	Hydrogen_Bond_Donor_Count	2
445039	Hydrogen_Bond_Acceptor_Count	8
16095274	Undefined_Bond_Stereo_Count	0
75332	Mono_Isotopic_Weight	142.0297759
149164152	Mono_Isotopic_Weight	112.052429494
3575	TPSA	26.3
51030529	Hydrogen_Bond_Donor_Count	0
178024	TPSA	130
87504	Defined_Atom_Stereo_Count	1
5486700	Structure_Complexity	1560
114523	Total_Formal_Charge	0
54069261	Defined_Atom_Stereo_Count	0
5352435	Total_Formal_Charge	0
80695	Exact_Mass	481.99427965
5324278	Molecular_Weight	87.12
13624042	Molecular_Weight	95.10
89053237	Molecular_Weight	107.11
3859613	TPSA	78
12899069	TPSA	118
5324	Hydrogen_Bond_Donor_Count	3
2734819	Undefined_Atom_Stereo_Count	0
30751	Undefined_Bond_Stereo_Count	0
29837	Structure_Complexity	46.8
9164	Isotope_Atom_Count	0
11078	Total_Formal_Charge	0
22967031	Molecular_Weight	115.17
87663787	XLogP3-AA	0.6
70912	XLogP3	0.5
97754	Undefined_Atom_Stereo_Count	1
54587759	Structure_Complexity	437
130993429	Non-hydrogen_Atom_Count	8
68529525	Exact_Mass	102.068079557
3392731	Non-hydrogen_Atom_Count	35
22175060	Hydrogen_Bond_Donor_Count	2
3856	Defined_Atom_Stereo_Count	0
4462	Covalent_Unit_Count	1
595	Structure_Complexity	192
88255060	Total_Formal_Charge	0
71359012	Hydrogen_Bond_Acceptor_Count	1
9934283	Defined_Atom_Stereo_Count	0
66376	Non-hydrogen_Atom_Count	1
5311201	Isotope_Atom_Count	0
54682930	Molecular_Weight	162.14
701	Undefined_Atom_Stereo_Count	1
12228201	XLogP3-AA	0.2
14709	Mono_Isotopic_Weight	330.21949481
5340	Isotope_Atom_Count	0
1896971	Exact_Mass	114.042927438
16218742	Total_Formal_Charge	0
9819610	Undefined_Atom_Stereo_Count	0
23688987	Exact_Mass	251.99160210
154222492	Mono_Isotopic_Weight	114.042927438
3498	Hydrogen_Bond_Acceptor_Count	4
135665263	Undefined_Atom_Stereo_Count	0
3608	Undefined_Atom_Stereo_Count	1
58645437	Hydrogen_Bond_Donor_Count	0
319664	Undefined_Bond_Stereo_Count	0
57486971	TPSA	23.8
501728	Isotope_Atom_Count	0
136228204	Tautomer_Count	3
701198	TPSA	76.7
6857537	Tautomer_Count	1
11592	Total_Formal_Charge	0
632910	Covalent_Unit_Count	1
12669677	Defined_Atom_Stereo_Count	6
5335	Exact_Mass	314.08374688
129829002	TPSA	47
63179	TPSA	63
3000450	Undefined_Bond_Stereo_Count	0
6778	Defined_Atom_Stereo_Count	0
6858240	Undefined_Atom_Stereo_Count	0
407	Covalent_Unit_Count	1
16932	Exact_Mass	216.093900383
123377064	Non-hydrogen_Atom_Count	8
124443	Undefined_Atom_Stereo_Count	2
46244259	Exact_Mass	441.18346091
7648	Hydrogen_Bond_Acceptor_Count	6
16211941	Rotatable_Bond_Count	1
19933114	Undefined_Atom_Stereo_Count	2
13348002	Undefined_Bond_Stereo_Count	0
100165	Undefined_Atom_Stereo_Count	2
4912932	XLogP3-AA	0.2
75712	Covalent_Unit_Count	1
123678537	Hydrogen_Bond_Donor_Count	0
7015191	TPSA	69.1
62210	Undefined_Bond_Stereo_Count	0
102069	Non-hydrogen_Atom_Count	32
544638	Total_Formal_Charge	0
6537213	Hydrogen_Bond_Donor_Count	2
8062	Exact_Mass	80.037448136
222778	Defined_Bond_Stereo_Count	0
53346602	Rotatable_Bond_Count	2
441325	Hydrogen_Bond_Acceptor_Count	4
135754	Structure_Complexity	563
136353	Molecular_Weight	86.09
95850	TPSA	67.8
15703	Covalent_Unit_Count	1
69656	Undefined_Bond_Stereo_Count	0
25077993	Isotope_Atom_Count	0
21118312	Isotope_Atom_Count	0
54087622	Hydrogen_Bond_Donor_Count	1
307	Structure_Complexity	121
5279171	Undefined_Bond_Stereo_Count	0
18684078	Defined_Bond_Stereo_Count	1
13696436	Mono_Isotopic_Weight	335.9808379
68907	Mono_Isotopic_Weight	212.0716407
122361528	Structure_Complexity	1830
141120290	Exact_Mass	110.011627311
10953453	Structure_Complexity	129
11682247	XLogP3-AA	3.4
8821	Molecular_Weight	100.12
7460	Tautomer_Count	1
444036	Non-hydrogen_Atom_Count	34
24955	Tautomer_Count	3
6956	Hydrogen_Bond_Acceptor_Count	2
24654	Exact_Mass	50.048012819
23724962	Mono_Isotopic_Weight	286.0832680
64992139	Hydrogen_Bond_Donor_Count	1
13235324	Structure_Complexity	179
53357478	TPSA	103
7915	XLogP3-AA	0.9
14197638	TPSA	26
68186	Non-hydrogen_Atom_Count	28
52731	Rotatable_Bond_Count	8
1487118	Undefined_Atom_Stereo_Count	0
657055	Rotatable_Bond_Count	1
19966535	Isotope_Atom_Count	0
12290023	Exact_Mass	116.083729621
71821	XLogP3-AA	4.1
51299	XLogP3	1.9
92180	Structure_Complexity	236
101870	Hydrogen_Bond_Donor_Count	0
177949	Defined_Bond_Stereo_Count	0
446600	Non-hydrogen_Atom_Count	23
9458	Mono_Isotopic_Weight	248.02964319
54960	Total_Formal_Charge	0
123923329	Rotatable_Bond_Count	13
124770286	Mono_Isotopic_Weight	665.30474055
73246	TPSA	183
156024996	Undefined_Atom_Stereo_Count	0
12275548	Undefined_Atom_Stereo_Count	0
3790357	Rotatable_Bond_Count	1
19928681	Hydrogen_Bond_Acceptor_Count	3
7428	Covalent_Unit_Count	1
94398	Covalent_Unit_Count	1
70099	Exact_Mass	106.078250319
62760	Defined_Atom_Stereo_Count	0
91496	Mono_Isotopic_Weight	152.120115130
58468319	Non-hydrogen_Atom_Count	8
66622526	Undefined_Bond_Stereo_Count	0
1585857	Isotope_Atom_Count	0
5311032	Defined_Atom_Stereo_Count	5
63036	Defined_Atom_Stereo_Count	7
88022	Covalent_Unit_Count	1
445063	Molecular_Weight	309.27
5587	Undefined_Atom_Stereo_Count	0
104150	XLogP3-AA	1.2
1203	Hydrogen_Bond_Donor_Count	5
298107	Rotatable_Bond_Count	11
53485229	Exact_Mass	113.027691913
73399	Total_Formal_Charge	0
15953353	Rotatable_Bond_Count	11
20884	Tautomer_Count	1
9690105	Rotatable_Bond_Count	8
28864	Exact_Mass	338.21066147
10875	Defined_Bond_Stereo_Count	0
6252910	TPSA	195
77014	XLogP3	1.1
5370052	Total_Formal_Charge	0
126672220	Mono_Isotopic_Weight	111.068413911
517045	Undefined_Bond_Stereo_Count	0
192630	Total_Formal_Charge	0
23545554	Defined_Atom_Stereo_Count	0
5113032	Molecular_Weight	248.71
25023847	XLogP3-AA	3
34296	Hydrogen_Bond_Acceptor_Count	1
19990	Structure_Complexity	108
135398003	Undefined_Bond_Stereo_Count	0
130145407	Hydrogen_Bond_Donor_Count	1
449069	Rotatable_Bond_Count	0
95866	Isotope_Atom_Count	0
644078	XLogP3-AA	14
60672	Non-hydrogen_Atom_Count	30
9912639	Isotope_Atom_Count	0
33721	Exact_Mass	99.068413911
33782	Structure_Complexity	415
52943923	Defined_Bond_Stereo_Count	0
447815	XLogP3-AA	2
461666	Exact_Mass	384.13213636
557608	Molecular_Weight	138.21
61799	Structure_Complexity	147
10077129	Undefined_Bond_Stereo_Count	0
2130	Total_Formal_Charge	0
131674979	Non-hydrogen_Atom_Count	59
6917674	Covalent_Unit_Count	1
32503	Defined_Atom_Stereo_Count	0
6506	XLogP3-AA	0.1
13609	TPSA	0
85906	Mono_Isotopic_Weight	178.110613074
45380791	TPSA	85.6
284	Tautomer_Count	1
5883	Rotatable_Bond_Count	7
5484131	Defined_Atom_Stereo_Count	2
146474223	TPSA	27.7
16678941	Mono_Isotopic_Weight	452.11837800
42963	Isotope_Atom_Count	0
74791	XLogP3	3.7
16219580	Hydrogen_Bond_Acceptor_Count	6
57403932	Isotope_Atom_Count	0
398675	Hydrogen_Bond_Donor_Count	0
56851705	Hydrogen_Bond_Donor_Count	3
8868	Tautomer_Count	5
55397	Total_Formal_Charge	0
6770	Total_Formal_Charge	0
37094	Defined_Atom_Stereo_Count	1
67975127	Isotope_Atom_Count	0
49862460	Mono_Isotopic_Weight	372.18714931
4119106	Hydrogen_Bond_Donor_Count	1
2816486	Isotope_Atom_Count	0
5476	Undefined_Atom_Stereo_Count	1
429819	Non-hydrogen_Atom_Count	13
66070288	Undefined_Bond_Stereo_Count	0
73761	Covalent_Unit_Count	1
31714	Structure_Complexity	740
11604	TPSA	23.8
68646	Hydrogen_Bond_Donor_Count	2
69536	Hydrogen_Bond_Acceptor_Count	16
194953	Exact_Mass	202.09535693
6973656	Isotope_Atom_Count	0
724228	XLogP3-AA	4.7
44338517	Exact_Mass	462.17419698
297691	Covalent_Unit_Count	1
123645524	Mono_Isotopic_Weight	1201.84136802
15744	Undefined_Bond_Stereo_Count	0
161729	Undefined_Bond_Stereo_Count	0
44563109	Defined_Atom_Stereo_Count	0
151205	Defined_Atom_Stereo_Count	1
98070685	Tautomer_Count	1
91250151	XLogP3-AA	2.5
14168316	Undefined_Bond_Stereo_Count	0
1740	XLogP3-AA	0.4
138961	XLogP3-AA	1.1
135456190	Exact_Mass	328.15870608
908617	Defined_Bond_Stereo_Count	0
72450871	Non-hydrogen_Atom_Count	7
8136	Hydrogen_Bond_Donor_Count	0
54680695	Isotope_Atom_Count	0
344793	Molecular_Weight	272.34
8658	Hydrogen_Bond_Donor_Count	0
132031748	Isotope_Atom_Count	0
53264	Undefined_Atom_Stereo_Count	0
139291782	Exact_Mass	922.36702371
54880	Tautomer_Count	1
24875236	Mono_Isotopic_Weight	363.14839556
820	Hydrogen_Bond_Donor_Count	19
6436055	TPSA	232
443201	Hydrogen_Bond_Donor_Count	4
6435801	Exact_Mass	250.07185858
66813453	Molecular_Weight	101.10
11754394	Exact_Mass	468.18312656
155487763	Molecular_Weight	1027.2
3076	Structure_Complexity	565
65174649	Molecular_Weight	112.17
12962	TPSA	46.3
73	Non-hydrogen_Atom_Count	27
66587032	Non-hydrogen_Atom_Count	29
23741	Exact_Mass	240.245315640
11768503	Total_Formal_Charge	0
150899	Isotope_Atom_Count	0
134085	Structure_Complexity	269
54698174	Covalent_Unit_Count	3
16132265	Defined_Atom_Stereo_Count	36
70682078	Rotatable_Bond_Count	4
7099	Defined_Bond_Stereo_Count	0
121893	Rotatable_Bond_Count	8
49865493	Hydrogen_Bond_Acceptor_Count	3
39164	XLogP3-AA	4.2
12373717	Mono_Isotopic_Weight	114.068079557
656604	Undefined_Bond_Stereo_Count	0
23081366	Total_Formal_Charge	0
4451502	Tautomer_Count	3
12562198	Total_Formal_Charge	0
60877	Defined_Atom_Stereo_Count	2
12359612	XLogP3-AA	1.7
94625	Hydrogen_Bond_Donor_Count	0
8783	Covalent_Unit_Count	1
60096125	Defined_Atom_Stereo_Count	0
6433345	Covalent_Unit_Count	1
54598431	Rotatable_Bond_Count	0
19606817	Exact_Mass	96.057514874
6604796	Covalent_Unit_Count	1
11543	Undefined_Bond_Stereo_Count	0
9887884	Defined_Bond_Stereo_Count	0
31811	Non-hydrogen_Atom_Count	16
61101	Hydrogen_Bond_Donor_Count	0
9965424	Rotatable_Bond_Count	3
166	Total_Formal_Charge	0
16219	TPSA	3.2
143686076	Defined_Bond_Stereo_Count	0
439286	Undefined_Atom_Stereo_Count	0
139061810	Rotatable_Bond_Count	9
39230	Undefined_Bond_Stereo_Count	0
90315	Defined_Bond_Stereo_Count	0
65773	Structure_Complexity	151
31070	Tautomer_Count	2
6032	Covalent_Unit_Count	1
448949	Total_Formal_Charge	0
84979	Defined_Atom_Stereo_Count	0
76579279	Undefined_Bond_Stereo_Count	0
25142700	Covalent_Unit_Count	1
9828626	XLogP3	13.5
9855448	Rotatable_Bond_Count	0
2798315	Undefined_Atom_Stereo_Count	0
444022	Tautomer_Count	8
90730816	Defined_Atom_Stereo_Count	0
687604	Non-hydrogen_Atom_Count	20
16217238	Hydrogen_Bond_Acceptor_Count	3
2789	Defined_Bond_Stereo_Count	0
15982533	Exact_Mass	451.22195442
16760139	TPSA	92.4
131428459	XLogP3-AA	0.2
11839	Tautomer_Count	1
21328181	Undefined_Atom_Stereo_Count	2
3631	Non-hydrogen_Atom_Count	19
515574	Defined_Atom_Stereo_Count	0
32315	Defined_Atom_Stereo_Count	0
437721	Isotope_Atom_Count	0
48807	XLogP3	2.6
98047	Defined_Bond_Stereo_Count	0
87187801	Rotatable_Bond_Count	2
91364344	TPSA	20.2
71459167	Rotatable_Bond_Count	5
82718360	Non-hydrogen_Atom_Count	8
85944292	Undefined_Atom_Stereo_Count	0
81261	Hydrogen_Bond_Acceptor_Count	2
12878836	Total_Formal_Charge	0
15937952	Non-hydrogen_Atom_Count	7
23000221	Undefined_Atom_Stereo_Count	0
64966	Rotatable_Bond_Count	3
9584	Tautomer_Count	1
23691021	Isotope_Atom_Count	0
19693	Hydrogen_Bond_Acceptor_Count	17
189563	Molecular_Weight	405.4
439178	Covalent_Unit_Count	1
96421	Undefined_Bond_Stereo_Count	1
572717	XLogP3-AA	1.8
2096	Hydrogen_Bond_Donor_Count	1
5268	Defined_Atom_Stereo_Count	0
156963389	Hydrogen_Bond_Donor_Count	25
25007799	Exact_Mass	411.16166284
54925	TPSA	115
74889155	Hydrogen_Bond_Donor_Count	1
15689273	Undefined_Bond_Stereo_Count	0
935795	Molecular_Weight	316.8
6266	Hydrogen_Bond_Donor_Count	0
34676239	Structure_Complexity	389
179338	Mono_Isotopic_Weight	511.1584073
139584807	Non-hydrogen_Atom_Count	18
539121	Hydrogen_Bond_Donor_Count	1
448632	Hydrogen_Bond_Donor_Count	1
12598074	Non-hydrogen_Atom_Count	14
12105	Defined_Bond_Stereo_Count	0
547686	Molecular_Weight	117.15
59648875	Structure_Complexity	113
19876500	Hydrogen_Bond_Donor_Count	0
60815	Structure_Complexity	523
6324604	Molecular_Weight	458.0
834999	Molecular_Weight	285.23
12768628	Defined_Atom_Stereo_Count	0
7153	Rotatable_Bond_Count	3
4259	Exact_Mass	401.17508442
39727	Tautomer_Count	1
11521169	Rotatable_Bond_Count	1
15174929	Mono_Isotopic_Weight	404.19473662
1551245	Exact_Mass	149.120449483
94229	XLogP3	1.3
66342	Defined_Atom_Stereo_Count	0
42239	Covalent_Unit_Count	1
192857	Covalent_Unit_Count	2
231162	Defined_Atom_Stereo_Count	0
472181	Undefined_Atom_Stereo_Count	0
219093	Non-hydrogen_Atom_Count	21
54366638	Hydrogen_Bond_Donor_Count	0
59504979	Structure_Complexity	138
91378988	Covalent_Unit_Count	1
436482	Hydrogen_Bond_Acceptor_Count	2
140112497	Hydrogen_Bond_Donor_Count	1
12595141	Total_Formal_Charge	0
12848392	Defined_Bond_Stereo_Count	0
91595261	Undefined_Atom_Stereo_Count	0
11412346	Molecular_Weight	97.16
60150535	Exact_Mass	378.16919058
1476655	XLogP3-AA	1.5
11102	Non-hydrogen_Atom_Count	38
258618	Rotatable_Bond_Count	0
24678	Structure_Complexity	297
12343986	Covalent_Unit_Count	1
3591	Undefined_Bond_Stereo_Count	3
71545	Isotope_Atom_Count	0
60196287	Defined_Bond_Stereo_Count	0
31393	Hydrogen_Bond_Acceptor_Count	1
139488	Tautomer_Count	2
54326118	Rotatable_Bond_Count	2
13293131	Isotope_Atom_Count	0
5288173	Exact_Mass	327.256214676
22754947	Undefined_Bond_Stereo_Count	0
124068	Hydrogen_Bond_Donor_Count	4
596	Hydrogen_Bond_Acceptor_Count	5
15741339	TPSA	29.1
136048918	Total_Formal_Charge	0
32322	Tautomer_Count	4
134922506	Isotope_Atom_Count	0
20528	Structure_Complexity	395
21702	TPSA	25.3
481696	Isotope_Atom_Count	0
11227182	Covalent_Unit_Count	2
2762834	Exact_Mass	113.027691913
131704232	Total_Formal_Charge	0
446504	Exact_Mass	393.13584202
3889	Hydrogen_Bond_Donor_Count	4
137643	Exact_Mass	112.088815002
81577	Structure_Complexity	157
15657909	Covalent_Unit_Count	1
10189783	Undefined_Atom_Stereo_Count	0
68802	Defined_Atom_Stereo_Count	0
12248556	Rotatable_Bond_Count	4
133562683	Isotope_Atom_Count	0
20136205	Exact_Mass	118.099379685
91500	Total_Formal_Charge	0
13327310	XLogP3-AA	0.2
9903930	Defined_Bond_Stereo_Count	0
39539	TPSA	15.8
101863	Tautomer_Count	1
11339	TPSA	115
137207	TPSA	0
284024	Undefined_Bond_Stereo_Count	0
10197650	Rotatable_Bond_Count	2
242436	Structure_Complexity	487
22349965	Mono_Isotopic_Weight	100.027277375
443944	Defined_Bond_Stereo_Count	0
65763	Rotatable_Bond_Count	7
67517	Rotatable_Bond_Count	0
297183	Structure_Complexity	158
134694983	Exact_Mass	805.56637496
6087	Structure_Complexity	600
395450	Hydrogen_Bond_Acceptor_Count	7
5738	Structure_Complexity	766
12375133	Covalent_Unit_Count	1
10560335	Undefined_Bond_Stereo_Count	0
3529	Covalent_Unit_Count	1
13490845	Total_Formal_Charge	0
23727689	XLogP3-AA	6
53756508	Molecular_Weight	100.12
125449602	Defined_Atom_Stereo_Count	0
135398501	Total_Formal_Charge	0
11957756	Defined_Bond_Stereo_Count	0
22339897	Undefined_Bond_Stereo_Count	0
72149	Defined_Atom_Stereo_Count	0
10775	Defined_Bond_Stereo_Count	0
129893524	Hydrogen_Bond_Acceptor_Count	21
497380	Defined_Atom_Stereo_Count	1
5284459	Defined_Atom_Stereo_Count	0
101130	Rotatable_Bond_Count	0
10250769	Hydrogen_Bond_Acceptor_Count	7
6445007	Tautomer_Count	1
165542295	Non-hydrogen_Atom_Count	8
136603687	Molecular_Weight	116.08
88276	TPSA	41.5
5479787	Molecular_Weight	557.5
44563145	Exact_Mass	382.19173754
15480319	Exact_Mass	170.95872
117439	Hydrogen_Bond_Acceptor_Count	5
60778	Rotatable_Bond_Count	7
393601	Rotatable_Bond_Count	7
10245972	Molecular_Weight	328.5
58181522	TPSA	49.3
543855	Hydrogen_Bond_Acceptor_Count	2
88402	Defined_Bond_Stereo_Count	0
66603768	Exact_Mass	351.1560986
136655	Exact_Mass	159.079647300
12295391	Non-hydrogen_Atom_Count	8
3090044	Non-hydrogen_Atom_Count	14
19830152	Molecular_Weight	84.07
23662403	Exact_Mass	348.17351024
19067730	Structure_Complexity	94
38883	Defined_Bond_Stereo_Count	0
677105	Mono_Isotopic_Weight	301.0175567
24989869	Molecular_Weight	415.5
72048	Tautomer_Count	1
29778	Undefined_Bond_Stereo_Count	0
4543	Tautomer_Count	1
439811	Hydrogen_Bond_Donor_Count	3
8612	Total_Formal_Charge	0
4770	Isotope_Atom_Count	0
13695806	Total_Formal_Charge	0
20705517	Covalent_Unit_Count	1
42552713	Undefined_Bond_Stereo_Count	0
12950121	Isotope_Atom_Count	0
16290686	Undefined_Bond_Stereo_Count	0
31018	Non-hydrogen_Atom_Count	8
53241828	XLogP3-AA	1.7
61908225	Defined_Atom_Stereo_Count	0
19665	Hydrogen_Bond_Donor_Count	1
90737888	Isotope_Atom_Count	0
6604756	Defined_Atom_Stereo_Count	2
16131097	Total_Formal_Charge	0
387316	TPSA	132
159812	TPSA	227
6051	Hydrogen_Bond_Donor_Count	1
19596	Molecular_Weight	294.33
630882	Defined_Atom_Stereo_Count	0
7774	Total_Formal_Charge	0
16656889	Molecular_Weight	508.4
131756	Covalent_Unit_Count	2
42580058	Exact_Mass	342.11621151
55300789	Undefined_Bond_Stereo_Count	0
89335	Non-hydrogen_Atom_Count	14
139449	Covalent_Unit_Count	1
54582513	XLogP3-AA	4.1
20054967	Hydrogen_Bond_Donor_Count	1
20473149	Defined_Bond_Stereo_Count	0
12539503	Rotatable_Bond_Count	3
59680984	Undefined_Atom_Stereo_Count	2
16623	TPSA	138
58247643	Hydrogen_Bond_Donor_Count	1
1570	Isotope_Atom_Count	0
23677927	Tautomer_Count	1
70443535	Covalent_Unit_Count	1
22278	Undefined_Bond_Stereo_Count	0
65456803	Defined_Bond_Stereo_Count	0
16211333	Isotope_Atom_Count	0
984355	Total_Formal_Charge	0
2486	Defined_Atom_Stereo_Count	0
70693582	Mono_Isotopic_Weight	447.21336163
5354043	Exact_Mass	286.229665576
6426685	Total_Formal_Charge	0
694052	TPSA	111
39617	Covalent_Unit_Count	1
98365	Hydrogen_Bond_Acceptor_Count	2
19935912	Hydrogen_Bond_Acceptor_Count	1
10130120	Hydrogen_Bond_Acceptor_Count	5
19838382	Defined_Atom_Stereo_Count	0
74685	Covalent_Unit_Count	1
60569	Covalent_Unit_Count	2
448126	Defined_Atom_Stereo_Count	3
156369283	Exact_Mass	196.146329876
274074	Non-hydrogen_Atom_Count	28
5080759	Mono_Isotopic_Weight	230.094294304
3016390	Tautomer_Count	1
137117239	TPSA	214
163872483	Undefined_Atom_Stereo_Count	3
132274074	Molecular_Weight	1620.7
8067	XLogP3-AA	2.3
134828	Mono_Isotopic_Weight	298.09535693
509147	Isotope_Atom_Count	0
18506394	Hydrogen_Bond_Acceptor_Count	2
606817	Defined_Bond_Stereo_Count	0
21666609	Total_Formal_Charge	0
65667	Mono_Isotopic_Weight	577.32641949
8821	Hydrogen_Bond_Donor_Count	0
122174240	Hydrogen_Bond_Donor_Count	2
64423	Covalent_Unit_Count	2
21694910	Defined_Bond_Stereo_Count	0
138496	Non-hydrogen_Atom_Count	8
73154880	Exact_Mass	364.041132
14223	Undefined_Bond_Stereo_Count	0
9019	Defined_Atom_Stereo_Count	0
21255491	Defined_Atom_Stereo_Count	0
9284	Hydrogen_Bond_Acceptor_Count	2
37142	Tautomer_Count	1
162236685	Defined_Bond_Stereo_Count	0
13590	Defined_Bond_Stereo_Count	0
73330464	TPSA	90
124602261	Covalent_Unit_Count	1
10236037	Mono_Isotopic_Weight	173.141578849
10989	Total_Formal_Charge	0
70589	Non-hydrogen_Atom_Count	25
99378	Hydrogen_Bond_Donor_Count	1
681	Hydrogen_Bond_Donor_Count	3
23311753	Hydrogen_Bond_Acceptor_Count	3
2741	XLogP3	1.6
54421	Defined_Bond_Stereo_Count	0
3724921	Mono_Isotopic_Weight	114.104465066
10493732	Hydrogen_Bond_Donor_Count	2
86350	Hydrogen_Bond_Donor_Count	0
2733768	Structure_Complexity	858
15981292	Defined_Bond_Stereo_Count	0
22084	Molecular_Weight	143.23
133136	Defined_Atom_Stereo_Count	0
21932803	Mono_Isotopic_Weight	121.03884512
343119	Isotope_Atom_Count	0
9927058	TPSA	92.2
16073660	Hydrogen_Bond_Donor_Count	0
10877083	Molecular_Weight	113.16
409746	Rotatable_Bond_Count	1
70103	Mono_Isotopic_Weight	83.073499291
72640182	Defined_Atom_Stereo_Count	0
2774635	TPSA	12.9
15110004	Exact_Mass	114.068079557
19935257	Non-hydrogen_Atom_Count	7
13776191	Defined_Atom_Stereo_Count	0
25023847	Molecular_Weight	419.8
44909	Hydrogen_Bond_Donor_Count	1
3237289	Undefined_Bond_Stereo_Count	0
92979	Defined_Atom_Stereo_Count	5
62466	Tautomer_Count	2
5311283	Undefined_Atom_Stereo_Count	1
1664	Undefined_Atom_Stereo_Count	1
5400866	Non-hydrogen_Atom_Count	19
28767	Mono_Isotopic_Weight	307.029747
449223	Hydrogen_Bond_Donor_Count	4
55466	Undefined_Atom_Stereo_Count	0
55284153	Molecular_Weight	112.13
690730	Mono_Isotopic_Weight	178.03131738
54900	Non-hydrogen_Atom_Count	35
85687	Defined_Bond_Stereo_Count	0
496	Covalent_Unit_Count	1
164825	Defined_Bond_Stereo_Count	0
59791	TPSA	80.6
57238241	XLogP3-AA	2
54340209	Covalent_Unit_Count	1
118052411	Hydrogen_Bond_Donor_Count	8
10034582	Structure_Complexity	98
13033	Undefined_Atom_Stereo_Count	0
5507	Undefined_Atom_Stereo_Count	0
71782	Undefined_Bond_Stereo_Count	2
68352	Hydrogen_Bond_Acceptor_Count	2
10636633	Non-hydrogen_Atom_Count	19
6358	Defined_Atom_Stereo_Count	0
60988	Isotope_Atom_Count	0
12515628	Covalent_Unit_Count	1
40024	Mono_Isotopic_Weight	296.12598835
50914976	Defined_Atom_Stereo_Count	0
122820	Defined_Bond_Stereo_Count	0
120096	Tautomer_Count	1
347476	Defined_Atom_Stereo_Count	0
8090	Mono_Isotopic_Weight	312.302830514
507806	Total_Formal_Charge	0
118705388	Exact_Mass	460.1565488
97995	Tautomer_Count	1
439616	Exact_Mass	152.047344113
978377	Structure_Complexity	645
77967	Molecular_Weight	256.23
91971505	Defined_Atom_Stereo_Count	7
6857474	Total_Formal_Charge	0
77332	TPSA	9.2
69885	Hydrogen_Bond_Donor_Count	0
93092	TPSA	24.7
59154995	Structure_Complexity	107
31877	Undefined_Bond_Stereo_Count	1
409746	Undefined_Bond_Stereo_Count	0
1549002	Defined_Bond_Stereo_Count	0
2226	Mono_Isotopic_Weight	552.31189162
21932259	Undefined_Atom_Stereo_Count	0
117266253	Defined_Bond_Stereo_Count	0
6713960	Rotatable_Bond_Count	6
95946	Isotope_Atom_Count	0
227	Structure_Complexity	136
2816105	Mono_Isotopic_Weight	313.13611680
447029	Rotatable_Bond_Count	2
44563178	Undefined_Bond_Stereo_Count	0
15461303	Structure_Complexity	682
70257	Defined_Bond_Stereo_Count	0
163628725	Undefined_Bond_Stereo_Count	0
129627812	Defined_Bond_Stereo_Count	0
39874	Isotope_Atom_Count	0
135570470	Hydrogen_Bond_Acceptor_Count	16
9831414	Hydrogen_Bond_Donor_Count	0
163201191	Structure_Complexity	99.7
78407	Covalent_Unit_Count	1
70383887	Mono_Isotopic_Weight	110.073164938
93961272	TPSA	57.2
118972006	Molecular_Weight	107.15
98608	Total_Formal_Charge	0
1234	Molecular_Weight	484.6
14676	Hydrogen_Bond_Donor_Count	1
2487	Hydrogen_Bond_Acceptor_Count	3
4516	Isotope_Atom_Count	0
4578	Rotatable_Bond_Count	3
57391320	TPSA	78.2
68089	Tautomer_Count	3
73148	Undefined_Bond_Stereo_Count	0
23677323	Defined_Atom_Stereo_Count	0
6337677	Hydrogen_Bond_Donor_Count	3
71455278	Isotope_Atom_Count	0
17531	Hydrogen_Bond_Acceptor_Count	7
118210179	Defined_Atom_Stereo_Count	0
90657669	Mono_Isotopic_Weight	582.27164427
11954350	Structure_Complexity	593
115001	Undefined_Atom_Stereo_Count	0
954443	Mono_Isotopic_Weight	291.0581549
15565709	Hydrogen_Bond_Donor_Count	2
85339	Hydrogen_Bond_Donor_Count	1
54027648	Mono_Isotopic_Weight	101.047678466
13584550	Rotatable_Bond_Count	0
61341	Exact_Mass	146.036779430
2826036	Molecular_Weight	236.25
2393	Molecular_Weight	1159.2
678081	Hydrogen_Bond_Acceptor_Count	4
6540	TPSA	72.4
5384411	Undefined_Bond_Stereo_Count	0
73172	Exact_Mass	105.032697108
19502	Hydrogen_Bond_Donor_Count	0
59383280	Undefined_Bond_Stereo_Count	0
135873450	Molecular_Weight	520.16
76743	Mono_Isotopic_Weight	309.0323340
9570438	Defined_Atom_Stereo_Count	0
40539	Structure_Complexity	265
102503760	Covalent_Unit_Count	1
61029	Hydrogen_Bond_Acceptor_Count	3
67821	Mono_Isotopic_Weight	463.9705080
132598553	Covalent_Unit_Count	1
3364777	Structure_Complexity	72.8
2778461	Hydrogen_Bond_Donor_Count	1
10288191	Total_Formal_Charge	0
432760	Defined_Bond_Stereo_Count	0
154515561	Covalent_Unit_Count	1
24848322	Hydrogen_Bond_Acceptor_Count	1
60724	XLogP3-AA	2.6
534552	Non-hydrogen_Atom_Count	16
682529	Exact_Mass	273.08234989
9570985	TPSA	297
28397	Hydrogen_Bond_Acceptor_Count	2
12940701	Undefined_Bond_Stereo_Count	0
6604087	Non-hydrogen_Atom_Count	37
134687950	TPSA	173
11953960	Rotatable_Bond_Count	8
5257437	Defined_Bond_Stereo_Count	0
90335493	Rotatable_Bond_Count	0
70882	Defined_Atom_Stereo_Count	0
158980	Hydrogen_Bond_Acceptor_Count	5
69787	Non-hydrogen_Atom_Count	12
15532	TPSA	89.8
5284604	TPSA	70
98047	Non-hydrogen_Atom_Count	11
524645	Rotatable_Bond_Count	2
10154033	Hydrogen_Bond_Acceptor_Count	4
946920	Mono_Isotopic_Weight	343.13544809
11457	Non-hydrogen_Atom_Count	10
124744577	Covalent_Unit_Count	1
101925253	XLogP3-AA	8.6
12539494	Mono_Isotopic_Weight	94.078250319
21516003	Undefined_Bond_Stereo_Count	0
24312	TPSA	12.9
518760	Total_Formal_Charge	0
36523	Isotope_Atom_Count	0
45380893	Undefined_Atom_Stereo_Count	0
47510	Hydrogen_Bond_Donor_Count	3
6857538	Undefined_Atom_Stereo_Count	0
128605	Isotope_Atom_Count	0
39859	Rotatable_Bond_Count	10
26173	Structure_Complexity	120
114946	Total_Formal_Charge	0
24808640	Molecular_Weight	94.11
935	Molecular_Weight	58.693
15034112	Rotatable_Bond_Count	0
14789	Structure_Complexity	27.9
26421	Non-hydrogen_Atom_Count	10
568783	XLogP3	3.1
4135	Covalent_Unit_Count	1
11481426	Structure_Complexity	254
12480891	Non-hydrogen_Atom_Count	7
763936	Rotatable_Bond_Count	1
449169	Rotatable_Bond_Count	11
9556	Defined_Bond_Stereo_Count	0
57398391	Molecular_Weight	324.4
52195	Mono_Isotopic_Weight	308.188863393
44629714	Hydrogen_Bond_Donor_Count	5
11706282	Undefined_Atom_Stereo_Count	0
67108443	Hydrogen_Bond_Acceptor_Count	3
53319741	Rotatable_Bond_Count	3
154825561	TPSA	206
5746387	Structure_Complexity	418
54714462	Undefined_Bond_Stereo_Count	0
70281073	Total_Formal_Charge	0
70689318	XLogP3-AA	3.6
117186636	Covalent_Unit_Count	1
199480	Undefined_Bond_Stereo_Count	0
41934	Defined_Bond_Stereo_Count	0
448043	Structure_Complexity	476
129099419	Mono_Isotopic_Weight	114.104465066
7408	Structure_Complexity	74.6
139920	Defined_Bond_Stereo_Count	0
11636816	Undefined_Atom_Stereo_Count	0
6509724	Mono_Isotopic_Weight	534.2132792
5327	XLogP3	0.3
373137	Defined_Atom_Stereo_Count	0
55105	Molecular_Weight	306.0
13349550	Undefined_Bond_Stereo_Count	0
51030053	Mono_Isotopic_Weight	396.19098865
40697	Molecular_Weight	321.5
12431744	Isotope_Atom_Count	0
6124212	XLogP3-AA	1.5
36744	Total_Formal_Charge	0
4118	Hydrogen_Bond_Donor_Count	1
2303651	Undefined_Bond_Stereo_Count	0
4581	Rotatable_Bond_Count	2
926580	Exact_Mass	279.05000439
56982924	Molecular_Weight	117.10
5702162	Non-hydrogen_Atom_Count	25
196981	Hydrogen_Bond_Acceptor_Count	2
123071	Hydrogen_Bond_Donor_Count	1
77245	Covalent_Unit_Count	1
6927	Hydrogen_Bond_Acceptor_Count	5
53395363	Rotatable_Bond_Count	3
46861612	Non-hydrogen_Atom_Count	30
11105319	Hydrogen_Bond_Acceptor_Count	2
6852147	Hydrogen_Bond_Acceptor_Count	7
94169	Hydrogen_Bond_Acceptor_Count	11
637991	Undefined_Bond_Stereo_Count	0
162413	XLogP3	3.7
445715	Covalent_Unit_Count	1
6444203	Molecular_Weight	690.9
16322	Undefined_Bond_Stereo_Count	0
12660241	TPSA	37.4
23286	Isotope_Atom_Count	0
9805635	Covalent_Unit_Count	1
23662383	Structure_Complexity	210
14968486	Exact_Mass	114.068079557
66776828	Mono_Isotopic_Weight	428.19607403
3951	Exact_Mass	408.19367399
22160831	TPSA	33
219608	Undefined_Bond_Stereo_Count	0
121235530	Structure_Complexity	7640
53857340	Defined_Atom_Stereo_Count	10
1177	Mono_Isotopic_Weight	244.06953611
2762809	Defined_Atom_Stereo_Count	0
10034581	XLogP3-AA	0.9
1028	Covalent_Unit_Count	1
102058611	XLogP3	2.7
59154494	Hydrogen_Bond_Acceptor_Count	2
10038849	Defined_Bond_Stereo_Count	0
126083	Non-hydrogen_Atom_Count	21
60199965	Non-hydrogen_Atom_Count	35
5142487	Rotatable_Bond_Count	2
92386	Covalent_Unit_Count	1
6453	Rotatable_Bond_Count	6
4884	Covalent_Unit_Count	1
3064425	Rotatable_Bond_Count	5
8264	Defined_Atom_Stereo_Count	0
322	TPSA	57.5
123165994	Total_Formal_Charge	0
14819	Rotatable_Bond_Count	0
5282706	Defined_Atom_Stereo_Count	0
123839315	Covalent_Unit_Count	1
57394708	Molecular_Weight	459.5
23725082	Hydrogen_Bond_Donor_Count	0
61362	TPSA	17.1
22842006	Isotope_Atom_Count	0
9828138	Hydrogen_Bond_Donor_Count	3
45112562	Defined_Atom_Stereo_Count	0
80076	Rotatable_Bond_Count	1
88709052	Exact_Mass	103.063328530
316249	Molecular_Weight	194.19
524667	Undefined_Atom_Stereo_Count	1
175945	Non-hydrogen_Atom_Count	23
926	Non-hydrogen_Atom_Count	44
54686904	TPSA	206
15100753	Hydrogen_Bond_Donor_Count	0
11965427	TPSA	142
6539985	Defined_Atom_Stereo_Count	0
475318	Hydrogen_Bond_Donor_Count	1
44485	Isotope_Atom_Count	0
17236	Rotatable_Bond_Count	4
160430	TPSA	84.6
12572713	Hydrogen_Bond_Acceptor_Count	3
91469693	Covalent_Unit_Count	1
744	Defined_Atom_Stereo_Count	0
5388879	Mono_Isotopic_Weight	158.845156
61818	Hydrogen_Bond_Donor_Count	0
4591	Undefined_Atom_Stereo_Count	18
23665765	Covalent_Unit_Count	2
736530	Hydrogen_Bond_Acceptor_Count	2
24825265	XLogP3-AA	4.5
444030	Defined_Atom_Stereo_Count	1
71225	Undefined_Atom_Stereo_Count	1
5702238	Hydrogen_Bond_Donor_Count	0
75690	Hydrogen_Bond_Acceptor_Count	3
160205454	Exact_Mass	284.16237386
63141	Tautomer_Count	4
11469158	TPSA	35.5
24732	Undefined_Bond_Stereo_Count	0
543706	Mono_Isotopic_Weight	114.068079557
14818447	Mono_Isotopic_Weight	121.93478
71452498	Exact_Mass	535.12133477
53297414	Undefined_Atom_Stereo_Count	2
56991328	Exact_Mass	114.068079557
21613900	Exact_Mass	111.043261792
8439	Exact_Mass	162.068079557
10255142	Covalent_Unit_Count	2
6950274	Undefined_Atom_Stereo_Count	0
5489948	Defined_Atom_Stereo_Count	2
44570889	Total_Formal_Charge	0
3083802	Mono_Isotopic_Weight	316.1553704
15741339	Covalent_Unit_Count	1
13244862	Total_Formal_Charge	0
19930642	Molecular_Weight	116.12
13347991	Non-hydrogen_Atom_Count	8
9865223	Rotatable_Bond_Count	4
146468	Defined_Bond_Stereo_Count	0
3011155	Undefined_Bond_Stereo_Count	0
21973793	Mono_Isotopic_Weight	98.084398327
141140139	Covalent_Unit_Count	1
19768091	Isotope_Atom_Count	0
14743344	Hydrogen_Bond_Acceptor_Count	3
165075	Undefined_Bond_Stereo_Count	0
67548	Rotatable_Bond_Count	10
58126	Undefined_Atom_Stereo_Count	3
441542	Mono_Isotopic_Weight	788.31632555
136662680	Total_Formal_Charge	0
60834	Molecular_Weight	333.9
162290	Exact_Mass	692.5025642
9433	Exact_Mass	420.19819929
17783223	Undefined_Bond_Stereo_Count	0
601880	XLogP3	1.8
11194160	XLogP3-AA	7.5
90460054	Undefined_Atom_Stereo_Count	1
3339	TPSA	52.6
197883	Undefined_Atom_Stereo_Count	0
439570	Covalent_Unit_Count	1
16272	Mono_Isotopic_Weight	180.95271
28459	Rotatable_Bond_Count	7
24901211	Mono_Isotopic_Weight	493.20352765
18539784	Isotope_Atom_Count	0
33038	Hydrogen_Bond_Acceptor_Count	2
21466713	TPSA	60.2
12309521	Exact_Mass	324.183778013
5288811	Undefined_Bond_Stereo_Count	0
359784	Undefined_Atom_Stereo_Count	0
24233	Undefined_Bond_Stereo_Count	0
124600	Structure_Complexity	324
94570	Total_Formal_Charge	0
4584	Defined_Atom_Stereo_Count	0
735940	Hydrogen_Bond_Donor_Count	0
93011	Molecular_Weight	163.60
59157244	Exact_Mass	114.104465066
8073	Hydrogen_Bond_Donor_Count	0
24891701	Rotatable_Bond_Count	5
2100	Mono_Isotopic_Weight	918.35416761
70695756	Defined_Atom_Stereo_Count	0
1877	Non-hydrogen_Atom_Count	24
70693538	Defined_Atom_Stereo_Count	6
9882837	Undefined_Bond_Stereo_Count	0
3239235	Defined_Bond_Stereo_Count	0
7730	Non-hydrogen_Atom_Count	9
2723866	Structure_Complexity	155
10431444	Molecular_Weight	406.4
87635503	XLogP3-AA	0.6
11421	Exact_Mass	108.021129366
501640	Defined_Atom_Stereo_Count	4
2342	Non-hydrogen_Atom_Count	29
24526	Non-hydrogen_Atom_Count	2
68129	Total_Formal_Charge	0
773938	Defined_Atom_Stereo_Count	1
626738	Defined_Atom_Stereo_Count	0
12486215	Molecular_Weight	191.23
80779	Hydrogen_Bond_Donor_Count	2
2408	Exact_Mass	312.0665554
445929	Total_Formal_Charge	0
267	Structure_Complexity	2440
1787910	Undefined_Bond_Stereo_Count	0
14569053	Total_Formal_Charge	0
5288706	Hydrogen_Bond_Donor_Count	5
39897	Molecular_Weight	475.5
44327552	Structure_Complexity	234
16720	Non-hydrogen_Atom_Count	12
4451	Non-hydrogen_Atom_Count	40
659024	Hydrogen_Bond_Donor_Count	1
2348480	Structure_Complexity	439
439186	Total_Formal_Charge	0
439811	Covalent_Unit_Count	1
131842090	Covalent_Unit_Count	4
12219138	Exact_Mass	244.06953611
4460493	Hydrogen_Bond_Acceptor_Count	3
156599213	Defined_Atom_Stereo_Count	6
135398731	Molecular_Weight	521.21
57393451	XLogP3-AA	4.5
13789889	Mono_Isotopic_Weight	97.052763847
11789162	Structure_Complexity	116
521324	Total_Formal_Charge	0
18822	Total_Formal_Charge	0
7579	TPSA	61.3
43261	Rotatable_Bond_Count	7
10290754	Total_Formal_Charge	0
15907	Hydrogen_Bond_Acceptor_Count	2
76140	Hydrogen_Bond_Donor_Count	0
72257	TPSA	78.9
630	Covalent_Unit_Count	1
12527	Rotatable_Bond_Count	4
216466	Isotope_Atom_Count	0
69462056	Non-hydrogen_Atom_Count	8
30295	Mono_Isotopic_Weight	265.204179104
13000487	Defined_Bond_Stereo_Count	0
11525116	Hydrogen_Bond_Donor_Count	2
188987	Isotope_Atom_Count	0
5280804	Non-hydrogen_Atom_Count	33
70719	Non-hydrogen_Atom_Count	8
55604	Hydrogen_Bond_Acceptor_Count	7
9423	Total_Formal_Charge	0
20453897	Undefined_Atom_Stereo_Count	0
10901	Hydrogen_Bond_Donor_Count	1
12561969	Non-hydrogen_Atom_Count	8
12406682	Defined_Bond_Stereo_Count	0
543038	Non-hydrogen_Atom_Count	9
45248	Tautomer_Count	4
59502	Molecular_Weight	340.5
69967	Undefined_Atom_Stereo_Count	0
63181514	Non-hydrogen_Atom_Count	7
121209144	Exact_Mass	113.084063974
101602	Total_Formal_Charge	0
6476	Defined_Bond_Stereo_Count	0
44031	Hydrogen_Bond_Donor_Count	1
93036	Exact_Mass	385.95146
23723057	Hydrogen_Bond_Acceptor_Count	5
44755151	Isotope_Atom_Count	0
54269666	Non-hydrogen_Atom_Count	6
518700	Defined_Bond_Stereo_Count	0
7067872	XLogP3	0.9
11232	Structure_Complexity	416
185588	Covalent_Unit_Count	1
55993	Tautomer_Count	1
13242839	Total_Formal_Charge	0
87255468	TPSA	229
256539	Isotope_Atom_Count	0
17525	Defined_Atom_Stereo_Count	0
44338773	Defined_Bond_Stereo_Count	0
10330532	Hydrogen_Bond_Donor_Count	1
177084	Defined_Bond_Stereo_Count	0
6034	Undefined_Bond_Stereo_Count	0
500460	Hydrogen_Bond_Donor_Count	0
25215	Exact_Mass	288.1029409
57674785	XLogP3-AA	1.7
75310475	Defined_Bond_Stereo_Count	0
21124737	Hydrogen_Bond_Acceptor_Count	14
188802	Non-hydrogen_Atom_Count	22
16219856	Covalent_Unit_Count	2
15277	Isotope_Atom_Count	0
447945	Defined_Atom_Stereo_Count	1
135753908	Hydrogen_Bond_Donor_Count	1
836041	Isotope_Atom_Count	0
79192	TPSA	20.2
3158	Hydrogen_Bond_Acceptor_Count	2
3388301	Mono_Isotopic_Weight	218.9615744
192154	Defined_Atom_Stereo_Count	7
14260	Rotatable_Bond_Count	11
59173	Non-hydrogen_Atom_Count	18
734884	Undefined_Atom_Stereo_Count	0
8425	Defined_Atom_Stereo_Count	0
54681041	Molecular_Weight	585.6
108888	Total_Formal_Charge	0
475320	Defined_Atom_Stereo_Count	2
10061	Hydrogen_Bond_Donor_Count	2
89803	Isotope_Atom_Count	0
8446	Tautomer_Count	1
593411	TPSA	0
10237241	Defined_Bond_Stereo_Count	0
22717649	Total_Formal_Charge	0
119096	TPSA	80.7
139202519	Molecular_Weight	426.3
57224326	Structure_Complexity	70.8
135444779	Molecular_Weight	441.4
34751	Total_Formal_Charge	0
22834577	Molecular_Weight	3464.0
208920	Exact_Mass	620.38656014
21766329	Non-hydrogen_Atom_Count	8
156592059	Molecular_Weight	895.9
9270	Rotatable_Bond_Count	5
565843	Defined_Bond_Stereo_Count	0
23665759	Non-hydrogen_Atom_Count	6
65272	Covalent_Unit_Count	1
11089	Total_Formal_Charge	0
23667627	Hydrogen_Bond_Donor_Count	1
524410	Covalent_Unit_Count	1
21930812	Non-hydrogen_Atom_Count	9
58689886	Total_Formal_Charge	0
12740771	Exact_Mass	78.0469501914
106757	XLogP3-AA	0.6
44349142	Undefined_Bond_Stereo_Count	0
82461	Undefined_Bond_Stereo_Count	0
41264	Isotope_Atom_Count	0
7156899	Exact_Mass	342.11621151
22609888	TPSA	83
442070	Isotope_Atom_Count	0
18736304	Defined_Atom_Stereo_Count	0
131708911	Hydrogen_Bond_Donor_Count	1
25123	Molecular_Weight	162.23
448503	Hydrogen_Bond_Acceptor_Count	1
7075	Total_Formal_Charge	0
130804	Rotatable_Bond_Count	8
10080320	Covalent_Unit_Count	1
95455	Total_Formal_Charge	0
5328	Defined_Atom_Stereo_Count	0
11957590	Rotatable_Bond_Count	6
14117201	Hydrogen_Bond_Acceptor_Count	1
23896	Tautomer_Count	1
91497276	Covalent_Unit_Count	1
13800357	Undefined_Bond_Stereo_Count	0
18998026	Defined_Bond_Stereo_Count	0
129317883	Covalent_Unit_Count	1
21093792	TPSA	90.9
6431301	Isotope_Atom_Count	0
9270	Exact_Mass	384.23005950
69501250	TPSA	73.6
13042689	Non-hydrogen_Atom_Count	8
95864	Defined_Atom_Stereo_Count	0
9965424	Defined_Bond_Stereo_Count	0
68486699	Undefined_Bond_Stereo_Count	0
7610	Exact_Mass	137.084063974
7864	Structure_Complexity	10
124159802	Defined_Bond_Stereo_Count	0
91037	Total_Formal_Charge	0
4842	Hydrogen_Bond_Donor_Count	0
9087	Total_Formal_Charge	0
6377	Hydrogen_Bond_Donor_Count	1
37137	Hydrogen_Bond_Acceptor_Count	9
342403	Non-hydrogen_Atom_Count	10
20072023	Exact_Mass	116.047344113
70258	Defined_Bond_Stereo_Count	0
11364421	Exact_Mass	521.31143813
48080	Exact_Mass	419.1288213
526624	Covalent_Unit_Count	1
21718305	Covalent_Unit_Count	1
24978601	Defined_Bond_Stereo_Count	1
37499	Rotatable_Bond_Count	9
45380694	Non-hydrogen_Atom_Count	34
4273	TPSA	86.1
68075820	Hydrogen_Bond_Acceptor_Count	1
86747	Non-hydrogen_Atom_Count	30
5231297	Molecular_Weight	337.4
5288382	Structure_Complexity	1150
447378	Molecular_Weight	443.4
78148	Non-hydrogen_Atom_Count	6
1388	Undefined_Atom_Stereo_Count	0
59189059	Covalent_Unit_Count	1
115234	Undefined_Bond_Stereo_Count	0
3014294	XLogP3-AA	1.5
72076	Non-hydrogen_Atom_Count	27
8340	TPSA	41.8
24654	Rotatable_Bond_Count	0
24480	Non-hydrogen_Atom_Count	3
34332	Isotope_Atom_Count	0
46911863	Molecular_Weight	377.3
104745	Hydrogen_Bond_Donor_Count	0
5111	Structure_Complexity	615
17980418	Hydrogen_Bond_Acceptor_Count	4
91326539	Hydrogen_Bond_Acceptor_Count	0
94418	Mono_Isotopic_Weight	429.20121898
103656	Hydrogen_Bond_Donor_Count	1
42602097	XLogP3-AA	2.8
135407187	Structure_Complexity	354
31170	Undefined_Atom_Stereo_Count	0
636822	Hydrogen_Bond_Donor_Count	0
13574480	Isotope_Atom_Count	0
288549	TPSA	55.4
131270	Structure_Complexity	466
13930075	TPSA	29.1
11599	XLogP3-AA	2.4
70692444	Isotope_Atom_Count	0
14359580	Hydrogen_Bond_Donor_Count	0
58854	Total_Formal_Charge	0
30487	Undefined_Bond_Stereo_Count	0
15027981	XLogP3-AA	1
98651	Non-hydrogen_Atom_Count	29
44669160	Defined_Atom_Stereo_Count	0
994360	Total_Formal_Charge	0
55399	Mono_Isotopic_Weight	622.34788321
4570	Hydrogen_Bond_Acceptor_Count	12
62253	Hydrogen_Bond_Donor_Count	0
8831	XLogP3-AA	3.2
673832	Defined_Atom_Stereo_Count	0
51001299	Defined_Atom_Stereo_Count	0
1481	Mono_Isotopic_Weight	366.055628
107377	Non-hydrogen_Atom_Count	18
520540	Total_Formal_Charge	0
11539725	Isotope_Atom_Count	0
8797	Covalent_Unit_Count	1
26009888	TPSA	64.1
122173994	Undefined_Atom_Stereo_Count	0
5340	Defined_Atom_Stereo_Count	0
10777574	Hydrogen_Bond_Acceptor_Count	3
24892716	Defined_Bond_Stereo_Count	3
15139	Defined_Atom_Stereo_Count	0
65844	Defined_Bond_Stereo_Count	0
9094	Rotatable_Bond_Count	0
9934492	Hydrogen_Bond_Acceptor_Count	13
9290	Hydrogen_Bond_Donor_Count	10
5464190	Undefined_Bond_Stereo_Count	0
5778	Molecular_Weight	166.21
17782423	Exact_Mass	85.052763847
167605	Non-hydrogen_Atom_Count	6
133687113	TPSA	62.3
3711	Molecular_Weight	416.4
72487	Defined_Bond_Stereo_Count	0
10686	Covalent_Unit_Count	1
250074	Molecular_Weight	166.17
154104	Exact_Mass	303.10414797
87019	Molecular_Weight	198.26
177084	Isotope_Atom_Count	0
99132	Structure_Complexity	436
642669	Exact_Mass	224.11609238
20483617	Molecular_Weight	110.16
13438401	Exact_Mass	112.052429494
70687305	Total_Formal_Charge	0
50990393	Mono_Isotopic_Weight	923.48784986
20055342	Total_Formal_Charge	0
10261049	Undefined_Bond_Stereo_Count	0
40894	Rotatable_Bond_Count	1
448372	Undefined_Bond_Stereo_Count	0
123963	Exact_Mass	204.089877630
11989572	Defined_Atom_Stereo_Count	0
3328	Defined_Bond_Stereo_Count	0
75227	Mono_Isotopic_Weight	139.099714038
6842999	XLogP3-AA	1.3
3396	Total_Formal_Charge	0
11181	Molecular_Weight	100.12
76956848	Exact_Mass	249.1284273
12262	Molecular_Weight	104.15
73154880	Undefined_Bond_Stereo_Count	0
157882	Hydrogen_Bond_Donor_Count	1
8733	Tautomer_Count	1
9808828	Hydrogen_Bond_Acceptor_Count	5
165574	Undefined_Atom_Stereo_Count	2
24950594	Rotatable_Bond_Count	4
11426929	Mono_Isotopic_Weight	311.16337692
5462350	Hydrogen_Bond_Acceptor_Count	5
20517177	Undefined_Atom_Stereo_Count	0
3139	Rotatable_Bond_Count	3
21365956	Undefined_Bond_Stereo_Count	0
29356	Structure_Complexity	161
57392611	Undefined_Bond_Stereo_Count	0
17109	Tautomer_Count	1
12315192	Covalent_Unit_Count	1
124018515	Defined_Bond_Stereo_Count	0
90078	Undefined_Bond_Stereo_Count	0
90813484	Hydrogen_Bond_Acceptor_Count	2
57656232	Rotatable_Bond_Count	1
8407	XLogP3	3.7
56149	Non-hydrogen_Atom_Count	15
57483323	Undefined_Atom_Stereo_Count	1
65977	Isotope_Atom_Count	0
59185552	TPSA	37.4
74990	Covalent_Unit_Count	2
9802545	Rotatable_Bond_Count	4
12456	Rotatable_Bond_Count	2
475930	TPSA	99.1
84336	Covalent_Unit_Count	1
3955344	Rotatable_Bond_Count	1
136648	Total_Formal_Charge	0
3003004	Defined_Atom_Stereo_Count	0
71416538	Isotope_Atom_Count	0
612687	Hydrogen_Bond_Acceptor_Count	4
11297955	Undefined_Atom_Stereo_Count	1
129864896	Covalent_Unit_Count	1
9911830	Undefined_Atom_Stereo_Count	0
21349800	Hydrogen_Bond_Acceptor_Count	3
14639247	Undefined_Atom_Stereo_Count	1
107744	Defined_Bond_Stereo_Count	0
7715	Mono_Isotopic_Weight	182.094294304
57656232	Undefined_Bond_Stereo_Count	0
159324	Tautomer_Count	1
114359	Isotope_Atom_Count	0
14200416	Mono_Isotopic_Weight	114.104465066
71384	Exact_Mass	268.11715500
12399560	Isotope_Atom_Count	0
11510567	Defined_Bond_Stereo_Count	0
4101	Defined_Atom_Stereo_Count	0
135974	Tautomer_Count	1
70723	Exact_Mass	110.073164938
12313981	Structure_Complexity	870
537445	Defined_Atom_Stereo_Count	0
9794203	Total_Formal_Charge	0
57452	Molecular_Weight	210.66
9815689	Hydrogen_Bond_Acceptor_Count	3
3093785	Structure_Complexity	217
7048523	Rotatable_Bond_Count	3
64709	Undefined_Bond_Stereo_Count	0
6552009	Total_Formal_Charge	0
91686	Total_Formal_Charge	0
134976	Hydrogen_Bond_Acceptor_Count	4
10612	Undefined_Atom_Stereo_Count	0
543879	XLogP3-AA	1.4
23665706	Undefined_Bond_Stereo_Count	0
71586806	Undefined_Atom_Stereo_Count	0
1229	Hydrogen_Bond_Donor_Count	1
20220682	Exact_Mass	116.083729621
5368491	Hydrogen_Bond_Donor_Count	1
135455401	Covalent_Unit_Count	1
74615	Molecular_Weight	100.12
10080906	Tautomer_Count	1
11263488	Hydrogen_Bond_Acceptor_Count	1
7032	Defined_Bond_Stereo_Count	0
3968	Hydrogen_Bond_Acceptor_Count	2
8191	Hydrogen_Bond_Donor_Count	0
2724372	Hydrogen_Bond_Donor_Count	1
9910975	Structure_Complexity	544
86289068	Rotatable_Bond_Count	0
64992	Exact_Mass	235.07053917
7380	Hydrogen_Bond_Acceptor_Count	1
12208570	Defined_Atom_Stereo_Count	0
5121	Isotope_Atom_Count	0
22878123	Total_Formal_Charge	0
14275	Covalent_Unit_Count	1
16224058	Covalent_Unit_Count	1
56673689	Covalent_Unit_Count	1
124504488	Structure_Complexity	382
4469994	Covalent_Unit_Count	1
6539297	Exact_Mass	368.10554495
95866	Defined_Atom_Stereo_Count	0
44577705	Non-hydrogen_Atom_Count	38
11206	Total_Formal_Charge	0
11344002	Defined_Bond_Stereo_Count	0
6014	Mono_Isotopic_Weight	320.1113975
222536	TPSA	52.6
66727	Mono_Isotopic_Weight	177.078978594
11093	Structure_Complexity	80.6
22712811	Rotatable_Bond_Count	0
53260965	Isotope_Atom_Count	0
94746	Mono_Isotopic_Weight	114.068079557
57536767	Isotope_Atom_Count	0
135438601	Structure_Complexity	208
461279	Mono_Isotopic_Weight	384.01236864
10051341	Hydrogen_Bond_Donor_Count	1
86093867	Total_Formal_Charge	0
145359725	Mono_Isotopic_Weight	101.047678466
12774278	Total_Formal_Charge	0
53389	Hydrogen_Bond_Acceptor_Count	2
23714647	Rotatable_Bond_Count	2
429456	Undefined_Bond_Stereo_Count	0
20334570	Rotatable_Bond_Count	2
19702729	TPSA	61.1
629	Structure_Complexity	783
46724	Defined_Bond_Stereo_Count	0
21325324	Hydrogen_Bond_Acceptor_Count	2
92211533	XLogP3-AA	2.6
10887866	Total_Formal_Charge	0
105426931	Rotatable_Bond_Count	0
11815824	Exact_Mass	98.073164938
24973796	Molecular_Weight	99.13
34521	Exact_Mass	207.08954328
59059038	Hydrogen_Bond_Acceptor_Count	3
8186	Hydrogen_Bond_Donor_Count	0
71776638	Total_Formal_Charge	0
13290	Rotatable_Bond_Count	8
4156	Mono_Isotopic_Weight	110.00376522
58181522	Hydrogen_Bond_Donor_Count	2
29385	TPSA	0
5288595	Defined_Atom_Stereo_Count	0
11286443	Exact_Mass	100.063662883
2723816	Isotope_Atom_Count	0
15335183	Total_Formal_Charge	0
45356886	Structure_Complexity	917
108147	Hydrogen_Bond_Donor_Count	8
5311281	Undefined_Bond_Stereo_Count	0
33013	Rotatable_Bond_Count	5
9481	Defined_Bond_Stereo_Count	0
167842	Defined_Bond_Stereo_Count	0
15493441	Rotatable_Bond_Count	2
5356697	Defined_Bond_Stereo_Count	1
994	Rotatable_Bond_Count	3
71072113	Defined_Atom_Stereo_Count	1
12932	Rotatable_Bond_Count	10
43834223	TPSA	97.6
57112474	Undefined_Atom_Stereo_Count	1
59939847	TPSA	49.3
900090	Defined_Bond_Stereo_Count	0
2796	Undefined_Atom_Stereo_Count	0
4932	TPSA	58.6
122662800	Defined_Atom_Stereo_Count	0
7644	Total_Formal_Charge	0
2795425	Structure_Complexity	123
5282414	Covalent_Unit_Count	2
1966	Defined_Bond_Stereo_Count	0
2769656	Molecular_Weight	106.05
17159	Tautomer_Count	1
550925	Undefined_Bond_Stereo_Count	0
22063278	Mono_Isotopic_Weight	97.089149355
11240433	Undefined_Atom_Stereo_Count	1
35958	Tautomer_Count	1
275196	XLogP3-AA	2.7
7017	Mono_Isotopic_Weight	170.073164938
5311070	Total_Formal_Charge	0
153643637	Exact_Mass	99.068413911
733511	Mono_Isotopic_Weight	319.157228913
59125088	Hydrogen_Bond_Donor_Count	5
161272	Non-hydrogen_Atom_Count	38
4112	Mono_Isotopic_Weight	454.17131583
13235324	Non-hydrogen_Atom_Count	8
424747	Molecular_Weight	298.4
67246725	Defined_Atom_Stereo_Count	0
71309671	Hydrogen_Bond_Acceptor_Count	6
10057607	Defined_Atom_Stereo_Count	0
639391	Total_Formal_Charge	0
5359272	TPSA	23.5
12209630	Hydrogen_Bond_Acceptor_Count	2
181887	Defined_Atom_Stereo_Count	0
2753	Isotope_Atom_Count	0
123676251	Total_Formal_Charge	0
13379149	Defined_Bond_Stereo_Count	0
85248	Defined_Atom_Stereo_Count	0
92703	Total_Formal_Charge	0
83967	Mono_Isotopic_Weight	312.07799279
15559317	Exact_Mass	842.51400504
1684	Undefined_Bond_Stereo_Count	0
11693521	Covalent_Unit_Count	1
69690	Hydrogen_Bond_Donor_Count	0
72200931	Molecular_Weight	459.7
54177139	Undefined_Atom_Stereo_Count	0
25256833	Undefined_Atom_Stereo_Count	0
62816	Rotatable_Bond_Count	11
24744154	Total_Formal_Charge	0
162990683	Molecular_Weight	665.7
12705044	Defined_Bond_Stereo_Count	0
158550	Defined_Atom_Stereo_Count	4
13879722	Exact_Mass	102.031694049
11317883	Total_Formal_Charge	0
140376	Hydrogen_Bond_Acceptor_Count	2
6438149	Hydrogen_Bond_Acceptor_Count	6
23338787	Total_Formal_Charge	0
1385	Mono_Isotopic_Weight	355.0645069
440699	Tautomer_Count	9
31005	Undefined_Bond_Stereo_Count	0
95005	Undefined_Atom_Stereo_Count	0
23674496	Covalent_Unit_Count	2
67602	TPSA	0
42337	Hydrogen_Bond_Donor_Count	0
11976	Tautomer_Count	1
533933	Total_Formal_Charge	0
5743568	Tautomer_Count	40
77405	Undefined_Bond_Stereo_Count	0
6081	Hydrogen_Bond_Donor_Count	3
13017912	Mono_Isotopic_Weight	560.27338086
315341	Molecular_Weight	173.17
11725766	Undefined_Bond_Stereo_Count	0
74152	Defined_Bond_Stereo_Count	0
6328657	Hydrogen_Bond_Acceptor_Count	13
73376	Undefined_Bond_Stereo_Count	0
49862461	Hydrogen_Bond_Donor_Count	1
80045	XLogP3	1.9
141583717	Mono_Isotopic_Weight	583.78329
11513929	Molecular_Weight	197.19
60202781	Mono_Isotopic_Weight	700.39751874
13522	Rotatable_Bond_Count	8
18950	Tautomer_Count	1
101614363	Structure_Complexity	366
44814423	Rotatable_Bond_Count	6
44291156	Structure_Complexity	3240
44513473	Hydrogen_Bond_Acceptor_Count	6
74663	Isotope_Atom_Count	0
71812105	Undefined_Atom_Stereo_Count	1
2755709	Defined_Bond_Stereo_Count	0
12242802	Hydrogen_Bond_Donor_Count	1
61892972	Exact_Mass	99.104799419
76373	Defined_Atom_Stereo_Count	0
12580406	Total_Formal_Charge	0
3052	Rotatable_Bond_Count	2
527633	Isotope_Atom_Count	0
5748434	TPSA	358
8283	Covalent_Unit_Count	1
141849	Structure_Complexity	70.4
18938	Total_Formal_Charge	0
67005	TPSA	91.6
66855878	Non-hydrogen_Atom_Count	8
5370611	Structure_Complexity	303
76321	Covalent_Unit_Count	1
78452	Tautomer_Count	1
7364	XLogP3	1
15980838	Mono_Isotopic_Weight	495.1673320
49865963	Defined_Atom_Stereo_Count	7
11611	Hydrogen_Bond_Donor_Count	0
12564	Rotatable_Bond_Count	1
54767229	Tautomer_Count	1
12803	Molecular_Weight	164.25
54471	Exact_Mass	321.0687196
143500	Hydrogen_Bond_Acceptor_Count	1
17877642	Rotatable_Bond_Count	1
24621	Mono_Isotopic_Weight	161.885062
6224	TPSA	141
24455	Undefined_Atom_Stereo_Count	0
16754849	TPSA	75.1
528917	Hydrogen_Bond_Acceptor_Count	2
6017	Hydrogen_Bond_Donor_Count	0
24971342	Structure_Complexity	427
13740445	TPSA	25.2
41774	Total_Formal_Charge	0
68289914	XLogP3-AA	1.3
13083763	Rotatable_Bond_Count	1
5311454	XLogP3	3.6
65859	Defined_Bond_Stereo_Count	0
78979	TPSA	0
54060	Defined_Atom_Stereo_Count	0
524667	Structure_Complexity	62.4
443867	Non-hydrogen_Atom_Count	25
69088	Exact_Mass	159.068413911
24867454	TPSA	95.6
90915688	Defined_Atom_Stereo_Count	0
24828759	Undefined_Atom_Stereo_Count	0
242426	Hydrogen_Bond_Donor_Count	2
11159305	Mono_Isotopic_Weight	110.073164938
21576	Undefined_Atom_Stereo_Count	0
16760265	Hydrogen_Bond_Donor_Count	3
306862	XLogP3-AA	5.7
544591	Rotatable_Bond_Count	3
25164108	Total_Formal_Charge	0
3086167	Undefined_Atom_Stereo_Count	0
6603320	Non-hydrogen_Atom_Count	36
409453	Hydrogen_Bond_Acceptor_Count	1
123676075	Isotope_Atom_Count	0
153816117	Hydrogen_Bond_Donor_Count	0
7117	Rotatable_Bond_Count	1
59149763	Defined_Bond_Stereo_Count	0
54776248	Undefined_Atom_Stereo_Count	0
232446	TPSA	40.5
129631271	Undefined_Atom_Stereo_Count	0
21581827	Defined_Atom_Stereo_Count	4
67497	XLogP3-AA	3.9
134717663	Hydrogen_Bond_Acceptor_Count	16
71587119	TPSA	424
37243	Hydrogen_Bond_Acceptor_Count	1
18923031	Rotatable_Bond_Count	0
70412	Isotope_Atom_Count	0
8940	Structure_Complexity	390
68171	Molecular_Weight	382.7
22833395	Molecular_Weight	198.30
15608605	Molecular_Weight	416.5
102192	Non-hydrogen_Atom_Count	21
9268	Exact_Mass	168.187800766
91867648	Isotope_Atom_Count	1
163455192	Undefined_Atom_Stereo_Count	1
85025	TPSA	3.9
501254	XLogP3	0.7
14852477	Hydrogen_Bond_Acceptor_Count	2
119095461	Hydrogen_Bond_Acceptor_Count	3
78350	Isotope_Atom_Count	0
11742188	Rotatable_Bond_Count	4
22280261	Structure_Complexity	70.5
73102147	Rotatable_Bond_Count	2
466151	Hydrogen_Bond_Acceptor_Count	8
315411	Total_Formal_Charge	0
5459211	Total_Formal_Charge	0
6742	Defined_Atom_Stereo_Count	9
11040632	Total_Formal_Charge	0
87906	Undefined_Atom_Stereo_Count	0
18736159	Non-hydrogen_Atom_Count	8
115034	Tautomer_Count	1
141201	Isotope_Atom_Count	0
41114	Hydrogen_Bond_Donor_Count	2
2136	Isotope_Atom_Count	0
14988402	Undefined_Atom_Stereo_Count	0
71317094	Mono_Isotopic_Weight	193.12745433
13207481	Mono_Isotopic_Weight	117.078978594
14992	Rotatable_Bond_Count	3
82170	Molecular_Weight	182.17
6327594	TPSA	49.9
22181493	Molecular_Weight	96.13
11622593	Structure_Complexity	280
157365551	XLogP3-AA	2.5
66908206	Undefined_Bond_Stereo_Count	0
21701560	Mono_Isotopic_Weight	331.0723690
137018	TPSA	20.2
143574502	Covalent_Unit_Count	1
33474	XLogP3-AA	1.8
65630	Molecular_Weight	231.29
6450478	Isotope_Atom_Count	0
65894	Defined_Bond_Stereo_Count	0
32838	Structure_Complexity	18.8
12510709	Structure_Complexity	77.6
3853312	Defined_Atom_Stereo_Count	0
35076	Non-hydrogen_Atom_Count	19
19883347	Defined_Atom_Stereo_Count	0
148197	Undefined_Bond_Stereo_Count	0
67691	Undefined_Atom_Stereo_Count	0
12097317	Covalent_Unit_Count	1
69362	Exact_Mass	118.062994177
13817	Molecular_Weight	680.8
54980	Tautomer_Count	2
24949247	Mono_Isotopic_Weight	384.06981
68737	Isotope_Atom_Count	0
70207914	Hydrogen_Bond_Donor_Count	1
5464253	Molecular_Weight	357.35
94310	Covalent_Unit_Count	1
51	Rotatable_Bond_Count	4
518874	Isotope_Atom_Count	0
83478502	Hydrogen_Bond_Acceptor_Count	3
163727	Molecular_Weight	236.10
89274700	TPSA	49.8
11768539	Tautomer_Count	1
23675453	Structure_Complexity	368
58040	Undefined_Atom_Stereo_Count	1
409642	Mono_Isotopic_Weight	198.02114662
54114222	Undefined_Atom_Stereo_Count	1
881	Exact_Mass	15.0234750957
159987	Hydrogen_Bond_Acceptor_Count	5
146159250	Covalent_Unit_Count	1
142243302	Isotope_Atom_Count	0
150986	Molecular_Weight	300.4
23591662	Covalent_Unit_Count	1
440175	Defined_Bond_Stereo_Count	0
713762	Defined_Atom_Stereo_Count	0
14028582	Undefined_Bond_Stereo_Count	0
153812620	Covalent_Unit_Count	1
115355	Molecular_Weight	329.23
21339024	Isotope_Atom_Count	0
60044711	Isotope_Atom_Count	0
108166	Structure_Complexity	913
11633167	Rotatable_Bond_Count	7
5371560	Structure_Complexity	291
4768	Undefined_Atom_Stereo_Count	1
23390806	Isotope_Atom_Count	0
95295	Defined_Bond_Stereo_Count	0
90479783	Undefined_Atom_Stereo_Count	0
9086	Mono_Isotopic_Weight	75.068413911
145819	Tautomer_Count	1
6410734	Rotatable_Bond_Count	6
57280823	Undefined_Bond_Stereo_Count	0
129671450	Covalent_Unit_Count	1
23934	Structure_Complexity	0
129016768	Hydrogen_Bond_Acceptor_Count	2
45257	Undefined_Atom_Stereo_Count	1
10556	Tautomer_Count	1
52949760	Exact_Mass	369.18748367
54576693	Rotatable_Bond_Count	3
20782688	Rotatable_Bond_Count	3
5281650	Non-hydrogen_Atom_Count	30
5283134	Tautomer_Count	4
4048819	Mono_Isotopic_Weight	157.110278721
10336591	Molecular_Weight	100.16
55288256	Undefined_Bond_Stereo_Count	0
9839190	Isotope_Atom_Count	0
963389	Defined_Atom_Stereo_Count	0
16212088	Defined_Atom_Stereo_Count	0
15686	Exact_Mass	358.25079494
503327	Defined_Bond_Stereo_Count	0
120095	XLogP3-AA	1
162636	Defined_Bond_Stereo_Count	0
426	Rotatable_Bond_Count	11
2771013	TPSA	95.9
16623	Undefined_Atom_Stereo_Count	0
643	Hydrogen_Bond_Acceptor_Count	3
23151396	Molecular_Weight	100.08
117045595	TPSA	29.1
253878	Isotope_Atom_Count	0
140181	Undefined_Bond_Stereo_Count	0
5487542	TPSA	109
14969	Hydrogen_Bond_Donor_Count	19
148651588	Exact_Mass	112.088815002
73707487	XLogP3	1.9
12681848	Mono_Isotopic_Weight	296.17360725
198429	TPSA	163
6921	XLogP3	3.5
123959	Mono_Isotopic_Weight	949.49494136
11438771	Rotatable_Bond_Count	3
66558858	Hydrogen_Bond_Donor_Count	2
277990	TPSA	37.4
5362420	Defined_Bond_Stereo_Count	0
4042	Hydrogen_Bond_Donor_Count	0
4313	TPSA	153
53	Total_Formal_Charge	0
85769	Total_Formal_Charge	0
10377751	Mono_Isotopic_Weight	257.02589765
5353646	Hydrogen_Bond_Acceptor_Count	2
44563146	Undefined_Bond_Stereo_Count	0
7814	Covalent_Unit_Count	1
84979	Mono_Isotopic_Weight	126.90308
45116668	Rotatable_Bond_Count	1
22061626	Undefined_Bond_Stereo_Count	0
12479	Non-hydrogen_Atom_Count	14
12814875	Undefined_Bond_Stereo_Count	0
15992306	Molecular_Weight	388.3
14815775	Defined_Bond_Stereo_Count	0
22725651	Rotatable_Bond_Count	0
515574	Hydrogen_Bond_Donor_Count	0
57280	TPSA	37.6
31191	Defined_Bond_Stereo_Count	0
1882	Non-hydrogen_Atom_Count	16
24901351	XLogP3-AA	3.3
5284554	Hydrogen_Bond_Donor_Count	5
656999	Defined_Bond_Stereo_Count	1
65111	Structure_Complexity	123
705672	Molecular_Weight	348.4
31216	Isotope_Atom_Count	0
54682938	Hydrogen_Bond_Donor_Count	6
133057415	Defined_Atom_Stereo_Count	0
4841	TPSA	46.5
11979781	TPSA	356
46861584	Defined_Atom_Stereo_Count	0
56339	Undefined_Atom_Stereo_Count	0
16218740	Total_Formal_Charge	1
12203051	Exact_Mass	195.94975
54187438	Mono_Isotopic_Weight	99.104799419
6438150	Mono_Isotopic_Weight	418.19915329
151175776	Total_Formal_Charge	0
396680	Covalent_Unit_Count	1
91591	Mono_Isotopic_Weight	143.0137915
53479	Undefined_Atom_Stereo_Count	0
53359	Hydrogen_Bond_Donor_Count	1
135538	TPSA	58.3
5362775	Exact_Mass	98.073164938
2844	Total_Formal_Charge	0
121235738	Hydrogen_Bond_Acceptor_Count	7
107918	Hydrogen_Bond_Donor_Count	11
10096946	Structure_Complexity	780
3802528	Mono_Isotopic_Weight	624.171497
163316	Molecular_Weight	187.24
23599502	Undefined_Bond_Stereo_Count	0
14690973	TPSA	26.3
2775941	XLogP3-AA	9.4
30214	TPSA	26
127909	Covalent_Unit_Count	1
83008	Molecular_Weight	482.6
18233	Isotope_Atom_Count	0
4004	Exact_Mass	330.03606767
33498	Exact_Mass	214.04121336
5283741	Structure_Complexity	688
76209	Molecular_Weight	102.13
121596244	Defined_Atom_Stereo_Count	6
21092	Covalent_Unit_Count	1
46869955	Mono_Isotopic_Weight	409.14601278
5013	Mono_Isotopic_Weight	227.142247555
6568	Hydrogen_Bond_Acceptor_Count	1
84339	Rotatable_Bond_Count	2
17354	Total_Formal_Charge	0
5496540	Mono_Isotopic_Weight	1424.55613212
52598	Defined_Atom_Stereo_Count	0
68157	Hydrogen_Bond_Donor_Count	0
12889418	Exact_Mass	204.11234441
644077	Undefined_Bond_Stereo_Count	0
52291	Tautomer_Count	1
92922	Undefined_Bond_Stereo_Count	0
11147	Hydrogen_Bond_Donor_Count	0
11824	TPSA	150
91895876	Non-hydrogen_Atom_Count	31
15208558	Undefined_Bond_Stereo_Count	0
59168911	XLogP3-AA	0.6
84589	Defined_Atom_Stereo_Count	0
6999106	Defined_Atom_Stereo_Count	0
14219	Non-hydrogen_Atom_Count	10
48654	Isotope_Atom_Count	0
71435578	Hydrogen_Bond_Donor_Count	0
1227	XLogP3-AA	0.3
92020576	Covalent_Unit_Count	1
71724	Hydrogen_Bond_Acceptor_Count	8
873450	Non-hydrogen_Atom_Count	23
89738255	Molecular_Weight	103.12
25192275	Molecular_Weight	447.5
13033	TPSA	0
69319	Undefined_Atom_Stereo_Count	0
9806489	Hydrogen_Bond_Acceptor_Count	4
2828708	TPSA	29.1
23989	Exact_Mass	238.05079
10510831	Mono_Isotopic_Weight	112.100048391
160157	Molecular_Weight	205.64
994868	Molecular_Weight	535.6
13000143	Non-hydrogen_Atom_Count	6
7032	Isotope_Atom_Count	0
3016416	Exact_Mass	335.15551483
6891	Non-hydrogen_Atom_Count	13
98675	Mono_Isotopic_Weight	254.260965704
69216	Molecular_Weight	114.10
17918606	Rotatable_Bond_Count	1
57291121	Total_Formal_Charge	0
20055082	Structure_Complexity	1230
39266	Covalent_Unit_Count	1
124770287	Rotatable_Bond_Count	3
53643041	Non-hydrogen_Atom_Count	8
51371222	Hydrogen_Bond_Acceptor_Count	6
7695	Undefined_Atom_Stereo_Count	0
123816	Hydrogen_Bond_Acceptor_Count	11
45116605	Undefined_Bond_Stereo_Count	0
129726370	Mono_Isotopic_Weight	266.224580195
281995	Defined_Bond_Stereo_Count	0
124072	Defined_Bond_Stereo_Count	0
95043	Total_Formal_Charge	0
2733293	Hydrogen_Bond_Acceptor_Count	2
17884	Undefined_Bond_Stereo_Count	0
11476771	Rotatable_Bond_Count	5
48288	Covalent_Unit_Count	1
135398721	Total_Formal_Charge	0
86999	Defined_Bond_Stereo_Count	0
10319630	Undefined_Bond_Stereo_Count	0
5326971	Rotatable_Bond_Count	7
19212	Defined_Atom_Stereo_Count	10
13485	Defined_Atom_Stereo_Count	0
316724	Isotope_Atom_Count	0
97234	XLogP3	1.4
32940	XLogP3-AA	1.3
14924951	Structure_Complexity	66.1
44576048	TPSA	174
18726540	XLogP3-AA	3.5
135950975	Covalent_Unit_Count	1
24917002	Undefined_Atom_Stereo_Count	0
156080	Undefined_Bond_Stereo_Count	0
96865	Hydrogen_Bond_Acceptor_Count	1
44183	Defined_Atom_Stereo_Count	0
49426	Covalent_Unit_Count	2
5362456	Total_Formal_Charge	0
131567	XLogP3-AA	3.9
60695	Molecular_Weight	609.7
10452732	Tautomer_Count	2
11441796	Structure_Complexity	575
71430	TPSA	98.4
64740	Exact_Mass	404.1117066
2062246	Non-hydrogen_Atom_Count	21
37247	Non-hydrogen_Atom_Count	15
65888	Covalent_Unit_Count	1
25323	Tautomer_Count	19
14397832	Rotatable_Bond_Count	2
18324177	Defined_Atom_Stereo_Count	0
2778339	Undefined_Atom_Stereo_Count	0
12582	Tautomer_Count	1
701617	Mono_Isotopic_Weight	290.11542367
753053	Defined_Bond_Stereo_Count	0
676041	Exact_Mass	219.125928785
34572	Defined_Bond_Stereo_Count	0
70652	Structure_Complexity	188
28693	Hydrogen_Bond_Acceptor_Count	3
720213	Total_Formal_Charge	0
5284556	Mono_Isotopic_Weight	144.0341926
44558883	Exact_Mass	1078.42704051
127757	Isotope_Atom_Count	0
9871092	Mono_Isotopic_Weight	513.00175130
154256	Tautomer_Count	15
68861	Non-hydrogen_Atom_Count	23
62278	Undefined_Bond_Stereo_Count	0
7048634	Mono_Isotopic_Weight	395.03715355
5362460	XLogP3	2.7
14179013	Structure_Complexity	1120
33672	Isotope_Atom_Count	0
11332416	Isotope_Atom_Count	5
22022636	Molecular_Weight	86.14
71541289	Defined_Bond_Stereo_Count	0
709225	Defined_Bond_Stereo_Count	0
54585642	Non-hydrogen_Atom_Count	24
2722	Covalent_Unit_Count	1
5367415	Mono_Isotopic_Weight	80.062600255
107770	Undefined_Atom_Stereo_Count	2
65940	Undefined_Atom_Stereo_Count	0
4110039	Exact_Mass	132.00096561
72199624	Mono_Isotopic_Weight	488.1635470
122173799	Exact_Mass	1095.46702979
4506	XLogP3	2.2
4739	Isotope_Atom_Count	0
56670167	Hydrogen_Bond_Acceptor_Count	6
160753	TPSA	43.4
228289	Hydrogen_Bond_Donor_Count	0
99207	Non-hydrogen_Atom_Count	31
20141078	Structure_Complexity	117
107970	Undefined_Atom_Stereo_Count	0
44324941	TPSA	69.2
5215	Exact_Mass	250.05244675
825744	XLogP3-AA	3.6
22817	Hydrogen_Bond_Acceptor_Count	1
16721	Defined_Bond_Stereo_Count	0
26865	Non-hydrogen_Atom_Count	8
826843	Structure_Complexity	369
59117176	Non-hydrogen_Atom_Count	8
10589377	Mono_Isotopic_Weight	287.18120410
18691	Rotatable_Bond_Count	3
6916033	Structure_Complexity	457
86054107	Total_Formal_Charge	0
10737	Exact_Mass	225.115364102
53835225	Non-hydrogen_Atom_Count	7
5311312	Structure_Complexity	2220
46203139	Hydrogen_Bond_Acceptor_Count	10
96935	Defined_Atom_Stereo_Count	0
265776	TPSA	37.8
159289	Mono_Isotopic_Weight	333.08956053
129851046	Rotatable_Bond_Count	5
154237264	Hydrogen_Bond_Donor_Count	0
136705	Non-hydrogen_Atom_Count	6
52007	Total_Formal_Charge	0
5807	Exact_Mass	247.0975211
79224	Molecular_Weight	216.03
413728	Mono_Isotopic_Weight	478.322223289
9862634	Rotatable_Bond_Count	0
59557415	Undefined_Atom_Stereo_Count	0
522002	Non-hydrogen_Atom_Count	8
535479	Isotope_Atom_Count	0
60196265	Undefined_Bond_Stereo_Count	0
12951370	Non-hydrogen_Atom_Count	8
945090	Defined_Atom_Stereo_Count	0
4117	Structure_Complexity	138
70751	Total_Formal_Charge	0
656902	Hydrogen_Bond_Donor_Count	4
77311	Mono_Isotopic_Weight	126.9955546
7043	Covalent_Unit_Count	1
8225	Exact_Mass	384.23005950
636377	Structure_Complexity	780
3104	TPSA	270
12306686	TPSA	77.8
519103	Hydrogen_Bond_Donor_Count	2
9548661	TPSA	80.6
46257	Tautomer_Count	1
24411	Hydrogen_Bond_Donor_Count	0
2794133	Covalent_Unit_Count	1
20531563	Defined_Atom_Stereo_Count	0
6451148	Isotope_Atom_Count	0
179512	Hydrogen_Bond_Acceptor_Count	2
546259	Mono_Isotopic_Weight	192.151415257
57397762	Mono_Isotopic_Weight	482.21403277
102503853	Undefined_Atom_Stereo_Count	0
229126	Covalent_Unit_Count	1
16768425	Hydrogen_Bond_Donor_Count	1
5281066	Molecular_Weight	522.5
19962876	Defined_Atom_Stereo_Count	0
22654	TPSA	58.5
28424	Rotatable_Bond_Count	4
8986	XLogP3-AA	3.3
89137	Defined_Atom_Stereo_Count	0
11476710	Defined_Bond_Stereo_Count	0
10866	Hydrogen_Bond_Donor_Count	0
460129	Undefined_Atom_Stereo_Count	0
32169	Rotatable_Bond_Count	7
54453800	Non-hydrogen_Atom_Count	8
66575068	TPSA	276
664081	Undefined_Bond_Stereo_Count	0
830	Non-hydrogen_Atom_Count	12
62380	Molecular_Weight	342.5
74183	Defined_Atom_Stereo_Count	0
25127112	Mono_Isotopic_Weight	404.13619017
7105	Total_Formal_Charge	0
88063521	TPSA	20.2
6997338	Covalent_Unit_Count	1
20392430	Structure_Complexity	82.6
11496886	Undefined_Atom_Stereo_Count	0
72296	Total_Formal_Charge	0
46856376	Non-hydrogen_Atom_Count	8
94948	Exact_Mass	253.03750770
20233665	Covalent_Unit_Count	1
58079819	Rotatable_Bond_Count	1
135410344	Defined_Bond_Stereo_Count	0
9939865	Non-hydrogen_Atom_Count	34
13348002	Mono_Isotopic_Weight	108.093900383
7067872	Mono_Isotopic_Weight	303.14705815
5561	Defined_Atom_Stereo_Count	0
66489873	Undefined_Atom_Stereo_Count	0
65859	Isotope_Atom_Count	0
91450840	Defined_Atom_Stereo_Count	0
101731271	Undefined_Bond_Stereo_Count	0
162059	Molecular_Weight	214.5
11508924	XLogP3-AA	2.3
121595926	XLogP3-AA	4.3
10180799	Non-hydrogen_Atom_Count	30
11511	Hydrogen_Bond_Donor_Count	0
118705497	Molecular_Weight	746.9
59154494	Isotope_Atom_Count	0
61917	Undefined_Atom_Stereo_Count	2
58411	Total_Formal_Charge	0
154825561	Total_Formal_Charge	0
9366	Undefined_Bond_Stereo_Count	0
43834	Rotatable_Bond_Count	5
14180	Molecular_Weight	334.22
546902	Defined_Bond_Stereo_Count	0
447956	Covalent_Unit_Count	1
22273548	Covalent_Unit_Count	1
62274	Covalent_Unit_Count	1
21699428	Molecular_Weight	109.13
5283339	Isotope_Atom_Count	0
9571109	TPSA	107
13218140	Mono_Isotopic_Weight	114.068079557
72165228	Total_Formal_Charge	0
13658066	Exact_Mass	112.052429494
49862578	Undefined_Atom_Stereo_Count	1
3589	XLogP3-AA	4.3
115355	Covalent_Unit_Count	1
13593931	Exact_Mass	94.078250319
1128	Mono_Isotopic_Weight	104.02958605
54676884	Covalent_Unit_Count	1
6369388	Rotatable_Bond_Count	3
68321840	Structure_Complexity	669
219145	Defined_Atom_Stereo_Count	0
23663977	Rotatable_Bond_Count	14
12052005	Isotope_Atom_Count	0
58079819	Undefined_Bond_Stereo_Count	0
59966648	Undefined_Atom_Stereo_Count	2
661938	Rotatable_Bond_Count	8
21185116	Non-hydrogen_Atom_Count	7
68260833	Isotope_Atom_Count	0
4934	Undefined_Bond_Stereo_Count	0
798232	Non-hydrogen_Atom_Count	24
40602794	Defined_Atom_Stereo_Count	1
10909485	Structure_Complexity	66.3
444972	Mono_Isotopic_Weight	116.01095860
12778904	Mono_Isotopic_Weight	84.068748264
133611834	Total_Formal_Charge	0
68374690	XLogP3-AA	0.3
66248	Exact_Mass	354.20691876
6419719	Undefined_Atom_Stereo_Count	0
5369	XLogP3-AA	4
54372438	Molecular_Weight	100.12
135398631	Undefined_Bond_Stereo_Count	0
94306	Tautomer_Count	1
22836365	Structure_Complexity	151
22385728	Covalent_Unit_Count	1
1481	Structure_Complexity	328
123462540	Hydrogen_Bond_Donor_Count	2
119259	Hydrogen_Bond_Acceptor_Count	5
2374	Structure_Complexity	208
57060020	Rotatable_Bond_Count	1
163735019	Isotope_Atom_Count	0
12150354	Defined_Atom_Stereo_Count	0
69033681	Covalent_Unit_Count	1
96198	Structure_Complexity	143
12394846	Total_Formal_Charge	0
5353959	Mono_Isotopic_Weight	842.51400504
558363	Structure_Complexity	50.1
57023262	Hydrogen_Bond_Acceptor_Count	2
80428	Total_Formal_Charge	0
44283095	Rotatable_Bond_Count	2
53465918	Rotatable_Bond_Count	6
11967617	Hydrogen_Bond_Acceptor_Count	12
72693	Total_Formal_Charge	0
76922	Exact_Mass	113.02992040
11154711	Mono_Isotopic_Weight	432.08136409
53372724	Rotatable_Bond_Count	9
7003	Covalent_Unit_Count	1
129752646	Mono_Isotopic_Weight	395.16904453
163325	Total_Formal_Charge	0
122214804	Undefined_Bond_Stereo_Count	0
17730	Undefined_Bond_Stereo_Count	0
448055	Exact_Mass	275.15214353
522354	Isotope_Atom_Count	0
24848321	Exact_Mass	289.227988553
57493771	Defined_Bond_Stereo_Count	0
79029	Undefined_Bond_Stereo_Count	0
163	Mono_Isotopic_Weight	909.17820443
162636	Non-hydrogen_Atom_Count	11
14872190	Exact_Mass	103.063328530
7944	TPSA	9.2
250	Covalent_Unit_Count	1
22605229	Exact_Mass	102.031694049
11332442	Hydrogen_Bond_Acceptor_Count	3
25961	Rotatable_Bond_Count	6
54725318	TPSA	113
13349554	Structure_Complexity	107
21537113	TPSA	74.6
153852218	Non-hydrogen_Atom_Count	7
26731	Covalent_Unit_Count	1
135413554	Total_Formal_Charge	0
85339	TPSA	37.3
56845432	Covalent_Unit_Count	1
19604274	TPSA	67.4
215932	Hydrogen_Bond_Donor_Count	1
41889	Isotope_Atom_Count	0
21856472	Undefined_Bond_Stereo_Count	0
44520827	Molecular_Weight	314.8
34001	Molecular_Weight	341.8
1211493	Hydrogen_Bond_Acceptor_Count	3
11658655	Isotope_Atom_Count	0
6429029	XLogP3-AA	0.8
23894	Exact_Mass	249.93841509
649217	Non-hydrogen_Atom_Count	36
44558536	Exact_Mass	373.1808568
69340339	Structure_Complexity	76.8
20265292	TPSA	40.5
84072037	Defined_Atom_Stereo_Count	0
131744	Total_Formal_Charge	0
18140	Undefined_Bond_Stereo_Count	0
5311055	Tautomer_Count	1
72396	Undefined_Bond_Stereo_Count	0
95978	Non-hydrogen_Atom_Count	12
122877	Structure_Complexity	1110
56720	Undefined_Bond_Stereo_Count	0
35805	Defined_Atom_Stereo_Count	2
59216333	Exact_Mass	111.043261792
22598190	Hydrogen_Bond_Acceptor_Count	0
745	Isotope_Atom_Count	0
21696506	Exact_Mass	109.03884512
6913	Total_Formal_Charge	0
10238982	Rotatable_Bond_Count	10
68583	Non-hydrogen_Atom_Count	36
88305	Hydrogen_Bond_Donor_Count	4
522536	Hydrogen_Bond_Acceptor_Count	2
57395267	Undefined_Bond_Stereo_Count	0
541623	Defined_Atom_Stereo_Count	0
64369	Rotatable_Bond_Count	3
9776841	Molecular_Weight	953.1
227085	Rotatable_Bond_Count	2
20055400	Tautomer_Count	1
24510	Covalent_Unit_Count	1
14849721	Structure_Complexity	46.5
57390700	Total_Formal_Charge	0
51003564	Molecular_Weight	256.30
80792	Undefined_Atom_Stereo_Count	0
105054	Undefined_Bond_Stereo_Count	0
6918585	Hydrogen_Bond_Acceptor_Count	56
9008	Rotatable_Bond_Count	8
135444614	Rotatable_Bond_Count	7
21930812	Rotatable_Bond_Count	2
14957	Molecular_Weight	548.6
16073	TPSA	38.3
6602103	TPSA	127
6436860	Undefined_Atom_Stereo_Count	0
12244237	Exact_Mass	77.97755048
77548	XLogP3	2.6
21948654	TPSA	51.6
9889823	Undefined_Atom_Stereo_Count	0
10040	Rotatable_Bond_Count	0
5282165	Structure_Complexity	1390
45085139	Non-hydrogen_Atom_Count	8
135487652	Isotope_Atom_Count	0
12512801	Rotatable_Bond_Count	0
41088	Undefined_Bond_Stereo_Count	0
67955	Undefined_Bond_Stereo_Count	0
12219387	Mono_Isotopic_Weight	76.0313001276
6299	XLogP3	6.4
11212948	Exact_Mass	444.06121838
83814961	Mono_Isotopic_Weight	111.068413911
9860946	Isotope_Atom_Count	0
13651	TPSA	12.9
6540298	Structure_Complexity	641
66064	Total_Formal_Charge	0
71450114	Defined_Atom_Stereo_Count	2
283242	XLogP3	2.1
10258195	Non-hydrogen_Atom_Count	43
2728077	Total_Formal_Charge	0
5362457	Mono_Isotopic_Weight	585.38180911
124921374	TPSA	231
19871	Covalent_Unit_Count	1
9934492	TPSA	213
15983553	Molecular_Weight	455.5
2109	Molecular_Weight	147.13
79241	Tautomer_Count	1
51399572	Molecular_Weight	499.6
24865999	Undefined_Atom_Stereo_Count	0
20483617	Hydrogen_Bond_Acceptor_Count	2
22897807	Hydrogen_Bond_Donor_Count	0
900	Undefined_Bond_Stereo_Count	0
8401	Defined_Bond_Stereo_Count	0
135977933	Defined_Atom_Stereo_Count	0
22178808	XLogP3-AA	16
73438935	Defined_Atom_Stereo_Count	11
6563	Rotatable_Bond_Count	1
79425	Tautomer_Count	1
715513	Hydrogen_Bond_Acceptor_Count	3
56840896	Structure_Complexity	492
9940864	Hydrogen_Bond_Acceptor_Count	17
46878363	Hydrogen_Bond_Donor_Count	4
27712	Isotope_Atom_Count	0
11306073	Hydrogen_Bond_Donor_Count	6
75057	Exact_Mass	354.409975663
9885442	Undefined_Atom_Stereo_Count	0
54133029	Exact_Mass	113.047678466
14404	TPSA	28
123458	TPSA	35.2
4913256	Rotatable_Bond_Count	2
9954082	Undefined_Atom_Stereo_Count	0
256411	TPSA	88.6
159603	Isotope_Atom_Count	0
164930	Hydrogen_Bond_Donor_Count	0
22335779	XLogP3-AA	0
56842208	Isotope_Atom_Count	0
6437842	Covalent_Unit_Count	1
25001849	Mono_Isotopic_Weight	428.17723029
11405875	Hydrogen_Bond_Donor_Count	1
549244	Molecular_Weight	110.11
115374	Non-hydrogen_Atom_Count	28
45120310	Total_Formal_Charge	0
18029	Covalent_Unit_Count	1
323180	Hydrogen_Bond_Acceptor_Count	3
379	Covalent_Unit_Count	1
49756	Hydrogen_Bond_Acceptor_Count	2
5353800	Hydrogen_Bond_Donor_Count	0
65628	Undefined_Bond_Stereo_Count	0
5905	Hydrogen_Bond_Acceptor_Count	5
61410	TPSA	26.3
26956	Structure_Complexity	275
3700118	Isotope_Atom_Count	0
8532	Rotatable_Bond_Count	0
2734639	Structure_Complexity	133
60196296	Molecular_Weight	292.5
1551553	TPSA	74.6
13201	Molecular_Weight	116.16
89351	Non-hydrogen_Atom_Count	16
53746047	Structure_Complexity	134
89105	Defined_Atom_Stereo_Count	0
94294	Defined_Atom_Stereo_Count	0
31203	Exact_Mass	360.363025472
13120	Non-hydrogen_Atom_Count	24
18727537	Undefined_Bond_Stereo_Count	0
25142177	Defined_Bond_Stereo_Count	0
65834	Non-hydrogen_Atom_Count	22
5173	Structure_Complexity	164
12636255	TPSA	32.8
11316914	Rotatable_Bond_Count	4
66704467	Exact_Mass	272.02893460
16718576	Defined_Bond_Stereo_Count	0
24946799	Molecular_Weight	405.6
81129	Non-hydrogen_Atom_Count	9
132935795	Mono_Isotopic_Weight	199.10308534
68576	Rotatable_Bond_Count	3
4149208	Hydrogen_Bond_Acceptor_Count	2
73553918	XLogP3-AA	2.4
27287	Tautomer_Count	1
91847008	Non-hydrogen_Atom_Count	23
135399235	Hydrogen_Bond_Donor_Count	2
87815038	Covalent_Unit_Count	1
11712071	Molecular_Weight	450.0
141112	Undefined_Atom_Stereo_Count	0
11636795	Undefined_Bond_Stereo_Count	0
45255110	Undefined_Atom_Stereo_Count	0
25134692	Isotope_Atom_Count	0
48973	Rotatable_Bond_Count	6
131700865	Hydrogen_Bond_Donor_Count	2
71386	Isotope_Atom_Count	0
140552347	Exact_Mass	111.043261792
22603659	Mono_Isotopic_Weight	109.052763847
71456722	Non-hydrogen_Atom_Count	35
5356789	XLogP3	7.6
1511	Defined_Atom_Stereo_Count	0
10470290	Mono_Isotopic_Weight	304.10725903
319343	Undefined_Bond_Stereo_Count	0
3690	XLogP3	0.9
320459	Undefined_Bond_Stereo_Count	1
542606	XLogP3	0.1
119432	Defined_Bond_Stereo_Count	0
159977	Exact_Mass	297.15896025
44539266	TPSA	146
76356	Undefined_Atom_Stereo_Count	0
25058199	Hydrogen_Bond_Donor_Count	3
5458769	Structure_Complexity	1830
698	Hydrogen_Bond_Donor_Count	1
9949821	Isotope_Atom_Count	0
6420	Tautomer_Count	1
6294	Structure_Complexity	218
123668737	Exact_Mass	114.042927438
3017698	Non-hydrogen_Atom_Count	17
145607000	Defined_Bond_Stereo_Count	0
19004	Hydrogen_Bond_Acceptor_Count	4
87162	Hydrogen_Bond_Donor_Count	0
17549	Non-hydrogen_Atom_Count	16
114961	Hydrogen_Bond_Acceptor_Count	5
124080868	Total_Formal_Charge	0
91026652	Isotope_Atom_Count	0
24721356	Tautomer_Count	970
440959	Mono_Isotopic_Weight	161.06880783
23533634	Rotatable_Bond_Count	1
59047	Tautomer_Count	1
16316	Rotatable_Bond_Count	8
35876	Hydrogen_Bond_Donor_Count	0
20060810	TPSA	47.8
127403	Hydrogen_Bond_Acceptor_Count	3
151177	Molecular_Weight	404.5
3015009	Covalent_Unit_Count	1
123268	Tautomer_Count	1
73082918	XLogP3-AA	2.4
338690	Exact_Mass	114.042927438
521928	Non-hydrogen_Atom_Count	24
3009363	Defined_Atom_Stereo_Count	0
518964	Exact_Mass	92.9743320
5281168	Hydrogen_Bond_Acceptor_Count	1
517304	Total_Formal_Charge	0
51605	Undefined_Atom_Stereo_Count	0
9158	Defined_Bond_Stereo_Count	0
44144517	Undefined_Bond_Stereo_Count	0
16832	Exact_Mass	158.130679813
13976498	Molecular_Weight	94.15
133562630	Mono_Isotopic_Weight	815.44559113
128549	Exact_Mass	402.21547206
9871419	XLogP3-AA	2
124770286	Hydrogen_Bond_Acceptor_Count	14
519186	Isotope_Atom_Count	0
6442177	XLogP3-AA	5.9
33184	Hydrogen_Bond_Acceptor_Count	2
1544	Molecular_Weight	853.6
4403	Total_Formal_Charge	0
68290287	Total_Formal_Charge	0
53260965	Exact_Mass	384.02483287
3361	Undefined_Bond_Stereo_Count	0
35898	Molecular_Weight	276.37
185460	Defined_Bond_Stereo_Count	0
253186	Undefined_Atom_Stereo_Count	0
36131	Rotatable_Bond_Count	9
11740218	Exact_Mass	375.1601214
25185057	Mono_Isotopic_Weight	507.30184471
23674745	Undefined_Bond_Stereo_Count	0
2804374	Molecular_Weight	231.68
37686	Non-hydrogen_Atom_Count	23
25014598	Non-hydrogen_Atom_Count	35
18335911	Structure_Complexity	109
76113449	Mono_Isotopic_Weight	110.073164938
55294	Non-hydrogen_Atom_Count	18
3654	Structure_Complexity	413
19764725	Covalent_Unit_Count	1
23724874	TPSA	125
3073763	Non-hydrogen_Atom_Count	14
3797915	Rotatable_Bond_Count	0
82234717	Hydrogen_Bond_Acceptor_Count	2
40521	Mono_Isotopic_Weight	335.0724492
7841	Hydrogen_Bond_Acceptor_Count	0
5081356	Hydrogen_Bond_Acceptor_Count	12
15650	Hydrogen_Bond_Donor_Count	0
607248	Exact_Mass	196.0015103
62964	TPSA	112
423375	Molecular_Weight	171.27
10042942	Exact_Mass	341.16270821
8135	Defined_Atom_Stereo_Count	0
6586	Mono_Isotopic_Weight	93.9821570
16051495	Non-hydrogen_Atom_Count	31
20113	Tautomer_Count	1
156614100	Rotatable_Bond_Count	9
11317	Undefined_Bond_Stereo_Count	0
23724913	Tautomer_Count	1
53384597	Hydrogen_Bond_Acceptor_Count	4
11088	Structure_Complexity	352
60558	Molecular_Weight	575.6
16038399	Hydrogen_Bond_Acceptor_Count	5
22058225	Mono_Isotopic_Weight	438.14607235
141319360	Undefined_Atom_Stereo_Count	0
5488579	Total_Formal_Charge	0
5281915	Total_Formal_Charge	0
146159250	Undefined_Atom_Stereo_Count	17
17526	Rotatable_Bond_Count	8
283	Isotope_Atom_Count	0
68345	Covalent_Unit_Count	1
23712863	Rotatable_Bond_Count	0
141959525	Molecular_Weight	97.16
22002688	Isotope_Atom_Count	0
8110	Exact_Mass	99.068413911
105166	Mono_Isotopic_Weight	194.964794
104755	Structure_Complexity	0
6536	TPSA	32.7
6405709	Total_Formal_Charge	0
85774373	Covalent_Unit_Count	1
59964826	Defined_Atom_Stereo_Count	0
13661	Undefined_Atom_Stereo_Count	0
156595875	Hydrogen_Bond_Acceptor_Count	18
854418	Total_Formal_Charge	0
20648808	Exact_Mass	97.052763847
7015680	Undefined_Atom_Stereo_Count	0
7405	Defined_Bond_Stereo_Count	0
139059144	Non-hydrogen_Atom_Count	19
854150	Defined_Bond_Stereo_Count	0
11126	Covalent_Unit_Count	1
833992	Rotatable_Bond_Count	2
60044711	Non-hydrogen_Atom_Count	8
72775170	TPSA	58.6
54586718	Isotope_Atom_Count	0
3721	Molecular_Weight	240.15
65825	Covalent_Unit_Count	1
135426867	Tautomer_Count	26
24848402	Isotope_Atom_Count	0
49928	Covalent_Unit_Count	1
2905	Mono_Isotopic_Weight	291.18344366
155804760	Rotatable_Bond_Count	7
51030529	Defined_Bond_Stereo_Count	0
57387	XLogP3-AA	2
5363548	Undefined_Bond_Stereo_Count	0
6950353	Covalent_Unit_Count	1
165363121	XLogP3-AA	3.2
2794666	TPSA	58.6
38668	Tautomer_Count	3
13991585	Covalent_Unit_Count	1
5311027	Mono_Isotopic_Weight	415.27225866
10316809	Covalent_Unit_Count	1
11188898	Isotope_Atom_Count	0
17748	Exact_Mass	207.0087061
23696271	Hydrogen_Bond_Donor_Count	1
11571792	Hydrogen_Bond_Donor_Count	1
9402	Hydrogen_Bond_Donor_Count	1
5320547	Structure_Complexity	255
50587	Molecular_Weight	679.8
545809	Hydrogen_Bond_Donor_Count	1
72943	Isotope_Atom_Count	0
33498	TPSA	109
135398640	Rotatable_Bond_Count	4
9816483	Hydrogen_Bond_Acceptor_Count	3
47535	Defined_Bond_Stereo_Count	0
3068840	Molecular_Weight	387.9
92100	Rotatable_Bond_Count	3
16687131	Defined_Atom_Stereo_Count	0
135410344	Isotope_Atom_Count	0
53297414	Isotope_Atom_Count	0
29921593	Isotope_Atom_Count	0
6419898	TPSA	195
83872171	Non-hydrogen_Atom_Count	7
11253	Hydrogen_Bond_Donor_Count	0
6453100	Hydrogen_Bond_Acceptor_Count	4
10560335	Undefined_Atom_Stereo_Count	0
25154200	Exact_Mass	397.10495400
46552	Undefined_Atom_Stereo_Count	0
3269	Structure_Complexity	411
45116623	Defined_Atom_Stereo_Count	0
44576048	Isotope_Atom_Count	0
11534	Defined_Atom_Stereo_Count	0
74031	Hydrogen_Bond_Acceptor_Count	2
65223	Defined_Atom_Stereo_Count	0
129821916	Rotatable_Bond_Count	4
546902	Isotope_Atom_Count	0
86088606	Non-hydrogen_Atom_Count	8
824336	Non-hydrogen_Atom_Count	23
448979	Tautomer_Count	1
201734	Hydrogen_Bond_Acceptor_Count	3
273032	Hydrogen_Bond_Donor_Count	2
23677974	Hydrogen_Bond_Donor_Count	3
10403	Structure_Complexity	86.7
57590	Exact_Mass	650.7761
12395209	TPSA	12.9
156410	Total_Formal_Charge	0
3016570	Exact_Mass	140.120115130
14517197	Molecular_Weight	107.11
4283516	Molecular_Weight	665.7
154517172	TPSA	3
96273	Defined_Atom_Stereo_Count	0
41794	Hydrogen_Bond_Acceptor_Count	2
823816	Exact_Mass	347.10923335
26470417	Isotope_Atom_Count	0
40466954	Rotatable_Bond_Count	5
51387014	Isotope_Atom_Count	0
4590704	Defined_Bond_Stereo_Count	0
47328	Total_Formal_Charge	0
528405	Structure_Complexity	74.9
418296	Covalent_Unit_Count	1
2733224	TPSA	47.4
54587655	Rotatable_Bond_Count	4
49808	Undefined_Bond_Stereo_Count	0
84590	Exact_Mass	98.048012819
72093	Molecular_Weight	483.7
3735	XLogP3-AA	3.9
13450501	Structure_Complexity	53.9
71395877	TPSA	0
70687305	Exact_Mass	402.29813906
9424	Rotatable_Bond_Count	4
46244173	Hydrogen_Bond_Donor_Count	1
9839519	TPSA	55.8
7778	Structure_Complexity	158
17884	XLogP3-AA	3.4
5777	Hydrogen_Bond_Donor_Count	0
68666	Mono_Isotopic_Weight	478.04393321
6436031	Undefined_Bond_Stereo_Count	0
63089	Hydrogen_Bond_Donor_Count	0
2861016	Molecular_Weight	284.29
72828705	Molecular_Weight	224.30
9955534	Hydrogen_Bond_Donor_Count	2
46490	TPSA	128
50993724	Covalent_Unit_Count	1
54215450	Non-hydrogen_Atom_Count	7
12394845	Defined_Bond_Stereo_Count	0
6344	Hydrogen_Bond_Acceptor_Count	0
43260	Rotatable_Bond_Count	4
50099	Exact_Mass	325.880439
164667083	Defined_Atom_Stereo_Count	2
25217563	Non-hydrogen_Atom_Count	27
6618	Hydrogen_Bond_Donor_Count	2
12671783	Total_Formal_Charge	0
69396	Total_Formal_Charge	0
3505109	TPSA	86.3
439530	Undefined_Bond_Stereo_Count	0
12038941	Undefined_Atom_Stereo_Count	0
6426699	Hydrogen_Bond_Donor_Count	1
284980	Isotope_Atom_Count	0
599225	Defined_Bond_Stereo_Count	0
7829	Structure_Complexity	179
139020	Undefined_Bond_Stereo_Count	0
9100	Covalent_Unit_Count	1
22338748	Mono_Isotopic_Weight	96.057514874
72370	Undefined_Bond_Stereo_Count	0
5360315	Isotope_Atom_Count	0
91335727	XLogP3-AA	5.2
3006315	Hydrogen_Bond_Acceptor_Count	4
10232719	Covalent_Unit_Count	1
73425158	Structure_Complexity	138
67519	Mono_Isotopic_Weight	70.027946081
20417	Molecular_Weight	115.13
3003004	XLogP3-AA	3.7
121493082	Structure_Complexity	18900
50501	Defined_Bond_Stereo_Count	0
86398	Rotatable_Bond_Count	1
439262	Structure_Complexity	641
132549482	Undefined_Bond_Stereo_Count	0
10442	Covalent_Unit_Count	1
22036716	Covalent_Unit_Count	1
44416407	Defined_Atom_Stereo_Count	0
11829353	Total_Formal_Charge	0
11504295	Undefined_Bond_Stereo_Count	0
3243927	Total_Formal_Charge	0
64402	Undefined_Atom_Stereo_Count	5
12719155	Hydrogen_Bond_Acceptor_Count	2
23666110	Total_Formal_Charge	0
19354187	Structure_Complexity	91.9
57114132	Total_Formal_Charge	0
56149	Mono_Isotopic_Weight	431.87194
105146	Non-hydrogen_Atom_Count	1
19956	Defined_Bond_Stereo_Count	0
11045	Undefined_Atom_Stereo_Count	0
125702	Defined_Bond_Stereo_Count	0
11237985	Mono_Isotopic_Weight	536.2765481
18469536	Hydrogen_Bond_Acceptor_Count	9
5562	Molecular_Weight	302.37
18506394	Undefined_Atom_Stereo_Count	3
10975445	Non-hydrogen_Atom_Count	8
88045	Hydrogen_Bond_Donor_Count	9
13889162	Rotatable_Bond_Count	5
118689593	Undefined_Atom_Stereo_Count	1
11184839	Defined_Atom_Stereo_Count	0
124021	Defined_Atom_Stereo_Count	5
287064	Molecular_Weight	168.15
40701	Hydrogen_Bond_Donor_Count	0
66756281	Hydrogen_Bond_Donor_Count	3
42993	Undefined_Bond_Stereo_Count	0
10772936	Undefined_Bond_Stereo_Count	0
19773393	Defined_Atom_Stereo_Count	0
82734	TPSA	61.6
19028568	Hydrogen_Bond_Donor_Count	1
41839	Hydrogen_Bond_Acceptor_Count	3
91284889	Exact_Mass	113.084063974
66909	Molecular_Weight	262.33
117822	Undefined_Atom_Stereo_Count	0
3075	Isotope_Atom_Count	0
87485	Undefined_Bond_Stereo_Count	0
23287	Defined_Atom_Stereo_Count	0
472812	Exact_Mass	243.0523023
1662	Covalent_Unit_Count	1
10715	Defined_Bond_Stereo_Count	0
347880	Structure_Complexity	216
25273237	Hydrogen_Bond_Donor_Count	2
4735	Non-hydrogen_Atom_Count	25
6598	Undefined_Atom_Stereo_Count	0
3653077	Undefined_Bond_Stereo_Count	0
10866664	Undefined_Bond_Stereo_Count	0
316722	Exact_Mass	112.088815002
18955278	TPSA	21.6
40466884	Hydrogen_Bond_Donor_Count	2
3018793	Covalent_Unit_Count	1
89479318	Isotope_Atom_Count	0
44427888	Non-hydrogen_Atom_Count	50
58560	TPSA	24.8
2724039	Mono_Isotopic_Weight	209.94550188
49857317	Undefined_Atom_Stereo_Count	0
933147	Hydrogen_Bond_Acceptor_Count	5
83528703	Exact_Mass	110.084398327
10461263	Defined_Bond_Stereo_Count	0
9816981	Exact_Mass	274.09872823
69070	Covalent_Unit_Count	1
71437196	Exact_Mass	470.19162313
41721	Rotatable_Bond_Count	1
46240	Tautomer_Count	1
56711	Hydrogen_Bond_Donor_Count	0
7683	Undefined_Atom_Stereo_Count	0
49865973	Isotope_Atom_Count	0
76223	Hydrogen_Bond_Acceptor_Count	6
9877306	Defined_Atom_Stereo_Count	14
25295	Molecular_Weight	289.80
11846570	Undefined_Bond_Stereo_Count	0
3093785	Covalent_Unit_Count	1
6432198	Mono_Isotopic_Weight	222.173213330
439583	Hydrogen_Bond_Donor_Count	5
3989307	Undefined_Atom_Stereo_Count	2
135459645	Undefined_Bond_Stereo_Count	2
12529691	Isotope_Atom_Count	0
20442	Rotatable_Bond_Count	11
137784	Structure_Complexity	82
11233	Isotope_Atom_Count	0
6604042	Undefined_Bond_Stereo_Count	0
9903291	Total_Formal_Charge	0
99456	Defined_Bond_Stereo_Count	0
144608711	Hydrogen_Bond_Donor_Count	1
439263	Hydrogen_Bond_Donor_Count	1
1730	Hydrogen_Bond_Acceptor_Count	2
16219676	Tautomer_Count	6
9867	Undefined_Atom_Stereo_Count	0
23599502	Mono_Isotopic_Weight	312.12963444
969105	Defined_Atom_Stereo_Count	0
11043	Defined_Atom_Stereo_Count	0
6180	Undefined_Atom_Stereo_Count	1
135402034	Exact_Mass	283.09166853
9570985	Molecular_Weight	598.6
16051935	Hydrogen_Bond_Acceptor_Count	12
10451635	XLogP3-AA	3.7
81129	Molecular_Weight	185.02
147277331	Defined_Bond_Stereo_Count	0
34213	Molecular_Weight	346.8
65759	Structure_Complexity	582
22601	Hydrogen_Bond_Acceptor_Count	5
25015677	Mono_Isotopic_Weight	543.27694433
22720	Non-hydrogen_Atom_Count	7
70500258	Defined_Atom_Stereo_Count	0
6141	Molecular_Weight	340.3
192435	TPSA	190
54688683	Hydrogen_Bond_Donor_Count	9
9877746	Total_Formal_Charge	0
3417	Mono_Isotopic_Weight	138.00819570
28610	XLogP3-AA	7
940	Structure_Complexity	314
135887824	Covalent_Unit_Count	1
10721	TPSA	23.8
4953	Rotatable_Bond_Count	12
43493	Undefined_Bond_Stereo_Count	1
22269415	Defined_Atom_Stereo_Count	0
422	Hydrogen_Bond_Acceptor_Count	10
24199	Mono_Isotopic_Weight	317.259288680
7370	Tautomer_Count	1
232326	Defined_Bond_Stereo_Count	0
18755331	Total_Formal_Charge	0
446080	Undefined_Bond_Stereo_Count	0
73566	Defined_Bond_Stereo_Count	0
54453800	TPSA	54.5
12959091	Mono_Isotopic_Weight	99.068413911
9847219	Structure_Complexity	727
449101	Undefined_Bond_Stereo_Count	0
11077077	Undefined_Atom_Stereo_Count	0
57399125	Non-hydrogen_Atom_Count	29
15166013	Mono_Isotopic_Weight	112.074896272
222865	Total_Formal_Charge	0
89484493	Defined_Atom_Stereo_Count	0
2156	Molecular_Weight	646.3
812042	Hydrogen_Bond_Acceptor_Count	2
20081031	Hydrogen_Bond_Acceptor_Count	5
156618045	Hydrogen_Bond_Acceptor_Count	11
165558	Structure_Complexity	641
129788170	Undefined_Bond_Stereo_Count	0
632835	Mono_Isotopic_Weight	370.10525291
11174599	Defined_Atom_Stereo_Count	9
6420023	Hydrogen_Bond_Acceptor_Count	26
2762918	Undefined_Atom_Stereo_Count	0
20548476	Non-hydrogen_Atom_Count	7
9324	Hydrogen_Bond_Acceptor_Count	4
298082	Undefined_Atom_Stereo_Count	3
46878477	Covalent_Unit_Count	1
764764	Hydrogen_Bond_Donor_Count	3
7320	Undefined_Atom_Stereo_Count	0
145996610	Hydrogen_Bond_Donor_Count	4
14296	Hydrogen_Bond_Donor_Count	0
68019	Hydrogen_Bond_Donor_Count	0
2331	Structure_Complexity	106
520168	Defined_Bond_Stereo_Count	0
128918	Undefined_Bond_Stereo_Count	0
9552071	Undefined_Bond_Stereo_Count	0
5358902	Hydrogen_Bond_Donor_Count	1
84720	Total_Formal_Charge	0
9883104	Undefined_Atom_Stereo_Count	0
8176	Undefined_Atom_Stereo_Count	0
578	Undefined_Atom_Stereo_Count	9
79319	Hydrogen_Bond_Donor_Count	0
25008940	Non-hydrogen_Atom_Count	36
59867303	Non-hydrogen_Atom_Count	8
54024247	TPSA	37.3
9650	Tautomer_Count	3
1017	Defined_Bond_Stereo_Count	0
103032	Undefined_Atom_Stereo_Count	1
10197619	Rotatable_Bond_Count	1
14194342	TPSA	66.8
44392088	Covalent_Unit_Count	1
121207426	Defined_Bond_Stereo_Count	0
53326689	XLogP3-AA	4.5
25110841	Defined_Bond_Stereo_Count	0
45116623	Molecular_Weight	101.10
21798491	Hydrogen_Bond_Donor_Count	2
75057	Defined_Bond_Stereo_Count	0
360129	Non-hydrogen_Atom_Count	28
12553931	TPSA	26.3
16097	Exact_Mass	181.03750770
122214397	Exact_Mass	532.97501113
547785	Rotatable_Bond_Count	3
6425135	Undefined_Atom_Stereo_Count	0
7263	Hydrogen_Bond_Donor_Count	2
2750	Mono_Isotopic_Weight	333.13986477
12868288	Undefined_Atom_Stereo_Count	2
3927	Molecular_Weight	380.5
19089031	Structure_Complexity	41.4
69532978	Molecular_Weight	115.13
76365	Exact_Mass	126.068079557
236745	Covalent_Unit_Count	1
23668353	Covalent_Unit_Count	2
18713770	Hydrogen_Bond_Acceptor_Count	2
123248674	Structure_Complexity	60.7
70689350	Undefined_Atom_Stereo_Count	1
95717	Rotatable_Bond_Count	0
135611162	Non-hydrogen_Atom_Count	36
95913783	Undefined_Atom_Stereo_Count	0
22395644	Defined_Atom_Stereo_Count	0
77037484	Structure_Complexity	80.5
45277565	Defined_Bond_Stereo_Count	0
170944	Rotatable_Bond_Count	0
83735	Undefined_Atom_Stereo_Count	0
69813	Covalent_Unit_Count	1
22281424	Hydrogen_Bond_Acceptor_Count	2
13077	Defined_Bond_Stereo_Count	0
116841780	Non-hydrogen_Atom_Count	8
16213095	Covalent_Unit_Count	2
104625	Structure_Complexity	223
6515535	TPSA	70.9
68485856	Defined_Atom_Stereo_Count	0
59325	Non-hydrogen_Atom_Count	27
19859	Isotope_Atom_Count	0
6096207	Covalent_Unit_Count	1
104741	TPSA	76.7
167807	Undefined_Atom_Stereo_Count	4
5311093	Rotatable_Bond_Count	18
9158	Isotope_Atom_Count	0
7026090	XLogP3-AA	0
5485220	Non-hydrogen_Atom_Count	30
10868	Non-hydrogen_Atom_Count	15
56841910	Defined_Atom_Stereo_Count	1
16052039	Isotope_Atom_Count	0
13707491	Total_Formal_Charge	0
70933	Tautomer_Count	1
5281706	Undefined_Atom_Stereo_Count	0
143403310	Covalent_Unit_Count	1
135421783	Isotope_Atom_Count	0
82326	Molecular_Weight	151.68
6533	Defined_Atom_Stereo_Count	0
222697	Non-hydrogen_Atom_Count	8
67465	TPSA	28.7
698364	Undefined_Atom_Stereo_Count	0
129677105	Defined_Bond_Stereo_Count	0
54572793	Mono_Isotopic_Weight	100.063662883
72165188	Defined_Bond_Stereo_Count	0
141096113	Exact_Mass	116.083729621
4044	Hydrogen_Bond_Acceptor_Count	3
5280604	Defined_Bond_Stereo_Count	10
52141942	Non-hydrogen_Atom_Count	8
91661	Molecular_Weight	338.9
138059757	Molecular_Weight	430.5
60196431	Defined_Atom_Stereo_Count	0
3878	Hydrogen_Bond_Acceptor_Count	5
22910010	Exact_Mass	112.088815002
10687	Covalent_Unit_Count	1
21789	Rotatable_Bond_Count	1
14380	Covalent_Unit_Count	1
5388957	Undefined_Atom_Stereo_Count	0
79809	Defined_Atom_Stereo_Count	0
53389094	TPSA	74.6
79003661	Non-hydrogen_Atom_Count	8
129834519	Undefined_Atom_Stereo_Count	5
90898717	Rotatable_Bond_Count	0
7361	Undefined_Atom_Stereo_Count	0
86620451	Undefined_Atom_Stereo_Count	0
85624637	Molecular_Weight	102.13
23681909	Undefined_Bond_Stereo_Count	0
46936900	Total_Formal_Charge	0
96873	Rotatable_Bond_Count	4
32051	Isotope_Atom_Count	0
50009	Molecular_Weight	334.15
54760130	Undefined_Bond_Stereo_Count	0
78006	XLogP3-AA	2.1
456190	Isotope_Atom_Count	0
66100	Non-hydrogen_Atom_Count	16
15081	Rotatable_Bond_Count	0
23729877	Hydrogen_Bond_Donor_Count	2
13518101	Hydrogen_Bond_Acceptor_Count	6
57159129	Isotope_Atom_Count	0
6537201	Hydrogen_Bond_Acceptor_Count	3
64765	TPSA	4.2
24822135	Undefined_Bond_Stereo_Count	0
444913	Covalent_Unit_Count	1
6917663	Rotatable_Bond_Count	3
75675	Undefined_Bond_Stereo_Count	0
70686373	Hydrogen_Bond_Acceptor_Count	6
521440	Total_Formal_Charge	0
71887	Exact_Mass	248.12732577
10780	Hydrogen_Bond_Donor_Count	0
54581335	Rotatable_Bond_Count	4
8141	Hydrogen_Bond_Donor_Count	0
91410	Defined_Bond_Stereo_Count	0
519449	Defined_Bond_Stereo_Count	0
87329230	Hydrogen_Bond_Donor_Count	1
5368076	Tautomer_Count	1
105007	Defined_Bond_Stereo_Count	0
2232	Exact_Mass	508.24678944
133923	Tautomer_Count	1
135407408	Undefined_Bond_Stereo_Count	0
30072	Isotope_Atom_Count	0
17779323	Non-hydrogen_Atom_Count	6
126569786	Hydrogen_Bond_Donor_Count	5
444183	Hydrogen_Bond_Donor_Count	4
37461	Undefined_Atom_Stereo_Count	0
31842	Rotatable_Bond_Count	5
4514	Mono_Isotopic_Weight	412.1302182
5282438	Structure_Complexity	1060
59122	Undefined_Atom_Stereo_Count	0
2588	Structure_Complexity	1070
3450	Mono_Isotopic_Weight	510.46346778
29685	Mono_Isotopic_Weight	341.13755610
11286453	Non-hydrogen_Atom_Count	8
91612	Covalent_Unit_Count	1
2482	Molecular_Weight	193.24
21061676	Undefined_Bond_Stereo_Count	0
43838	Hydrogen_Bond_Acceptor_Count	3
22386086	Structure_Complexity	101
21893333	Covalent_Unit_Count	1
21618	Molecular_Weight	104.10
189562	Undefined_Atom_Stereo_Count	0
6922967	Mono_Isotopic_Weight	166.123189134
135435111	Rotatable_Bond_Count	2
68321874	Exact_Mass	335.16337692
439456	TPSA	261
18612333	Isotope_Atom_Count	0
114840	Structure_Complexity	317
45488108	Defined_Atom_Stereo_Count	1
21987892	Molecular_Weight	206.35
44603531	Covalent_Unit_Count	1
126514322	XLogP3-AA	0.2
87457638	Exact_Mass	354.01426819
60196418	XLogP3-AA	2.9
53689772	Undefined_Atom_Stereo_Count	0
21585139	Hydrogen_Bond_Acceptor_Count	1
10687	Tautomer_Count	9
12271346	Rotatable_Bond_Count	1
4571243	Exact_Mass	342.29123426
89785	Hydrogen_Bond_Acceptor_Count	3
374	Defined_Atom_Stereo_Count	0
91272	Hydrogen_Bond_Donor_Count	7
21831638	Undefined_Bond_Stereo_Count	0
11508600	Hydrogen_Bond_Donor_Count	3
179668	TPSA	49.3
143007	Undefined_Atom_Stereo_Count	0
120	Total_Formal_Charge	0
7835	Structure_Complexity	37.9
103079114	Total_Formal_Charge	0
10246418	Undefined_Atom_Stereo_Count	0
705856	Undefined_Atom_Stereo_Count	0
20137	Total_Formal_Charge	0
26758	Rotatable_Bond_Count	4
84682	Structure_Complexity	19.6
22995366	Rotatable_Bond_Count	2
923638	Hydrogen_Bond_Acceptor_Count	3
80108693	Isotope_Atom_Count	0
10022229	Defined_Bond_Stereo_Count	0
13019052	Covalent_Unit_Count	1
98423	Covalent_Unit_Count	1
24884773	Isotope_Atom_Count	0
141758017	Total_Formal_Charge	0
139595130	Exact_Mass	527.23263824
2812423	Covalent_Unit_Count	1
12960	Undefined_Atom_Stereo_Count	2
6605	Hydrogen_Bond_Acceptor_Count	5
54060	Hydrogen_Bond_Donor_Count	0
72652	Exact_Mass	309.09766318
5742673	Defined_Atom_Stereo_Count	2
130224411	Undefined_Bond_Stereo_Count	0
117968974	Defined_Bond_Stereo_Count	0
119097769	XLogP3-AA	0.6
53667465	Hydrogen_Bond_Donor_Count	0
5281576	TPSA	83.8
71354	Tautomer_Count	2
107144	Defined_Atom_Stereo_Count	0
46485	Hydrogen_Bond_Donor_Count	2
5464344	Hydrogen_Bond_Acceptor_Count	7
91053206	Structure_Complexity	2330
92158	TPSA	17.1
129651290	Non-hydrogen_Atom_Count	31
859783	Undefined_Atom_Stereo_Count	0
52936034	TPSA	75.7
137224392	Undefined_Atom_Stereo_Count	2
7092	Structure_Complexity	220
37	Tautomer_Count	2
43371	Total_Formal_Charge	0
112239	Mono_Isotopic_Weight	242.224580195
3003141	Isotope_Atom_Count	0
10377	Exact_Mass	180.115029749
72165	Exact_Mass	284.152477885
29800	TPSA	66.9
444254	Rotatable_Bond_Count	9
139079008	Defined_Bond_Stereo_Count	0
54567078	Exact_Mass	101.084063974
10888095	Molecular_Weight	152.19
79680	Mono_Isotopic_Weight	119.9978071
51253	Isotope_Atom_Count	0
66247	Exact_Mass	433.12526
90695524	Structure_Complexity	124
135398513	Exact_Mass	225.08618923
139	Isotope_Atom_Count	0
66638	Non-hydrogen_Atom_Count	17
13659	Defined_Bond_Stereo_Count	0
10953595	Defined_Atom_Stereo_Count	3
63019	Hydrogen_Bond_Donor_Count	1
23677979	Molecular_Weight	208.21
10297818	Hydrogen_Bond_Donor_Count	3
75842	XLogP3-AA	2.5
23677058	Mono_Isotopic_Weight	276.09084324
54682463	Covalent_Unit_Count	1
4469994	TPSA	113
24946103	Hydrogen_Bond_Donor_Count	2
17945002	Hydrogen_Bond_Acceptor_Count	1
694648	TPSA	37.3
258383	Defined_Bond_Stereo_Count	0
14671256	Hydrogen_Bond_Acceptor_Count	1
145562	Defined_Atom_Stereo_Count	0
57972066	TPSA	190
65182	Total_Formal_Charge	0
88957	Total_Formal_Charge	0
24412	Hydrogen_Bond_Donor_Count	0
46934352	Undefined_Bond_Stereo_Count	0
4272	Undefined_Bond_Stereo_Count	1
67989199	Defined_Bond_Stereo_Count	0
12676503	Rotatable_Bond_Count	1
65743	Undefined_Bond_Stereo_Count	0
61209	TPSA	34.1
14282406	TPSA	38.8
16331	XLogP3-AA	1
60510	Hydrogen_Bond_Acceptor_Count	2
439791	Undefined_Atom_Stereo_Count	0
58612101	Total_Formal_Charge	0
77302	Structure_Complexity	54.9
67379186	Covalent_Unit_Count	1
17754054	Non-hydrogen_Atom_Count	13
21804	Non-hydrogen_Atom_Count	18
129885959	Structure_Complexity	1120
89578803	TPSA	9.2
572717	Isotope_Atom_Count	0
119693	Exact_Mass	103.099714038
53393583	Undefined_Bond_Stereo_Count	0
137092	Defined_Atom_Stereo_Count	0
5156	Total_Formal_Charge	0
11673085	Hydrogen_Bond_Donor_Count	2
332	Covalent_Unit_Count	1
402827	Hydrogen_Bond_Acceptor_Count	9
95295	Defined_Atom_Stereo_Count	0
14988399	Exact_Mass	85.089149355
57395974	Total_Formal_Charge	0
7077	Undefined_Atom_Stereo_Count	0
21321822	TPSA	6.5
441035	Rotatable_Bond_Count	1
22353151	Molecular_Weight	432.4
54066	Molecular_Weight	250.34
88890027	Hydrogen_Bond_Donor_Count	0
4693	Undefined_Atom_Stereo_Count	9
519418	Hydrogen_Bond_Acceptor_Count	1
78759283	Covalent_Unit_Count	2
2724429	Rotatable_Bond_Count	4
5360134	Rotatable_Bond_Count	2
129010024	Hydrogen_Bond_Acceptor_Count	19
67330085	Isotope_Atom_Count	0
55220664	Molecular_Weight	98.15
146157010	TPSA	32.7
90916291	Hydrogen_Bond_Acceptor_Count	1
1056	Undefined_Atom_Stereo_Count	0
5667	Isotope_Atom_Count	0
445904	Undefined_Bond_Stereo_Count	0
17873276	Isotope_Atom_Count	0
55291579	Rotatable_Bond_Count	1
12814873	Hydrogen_Bond_Acceptor_Count	5
12602	XLogP3-AA	1.5
71744109	Total_Formal_Charge	0
118654527	Mono_Isotopic_Weight	284.16237386
20463	Total_Formal_Charge	0
115149	Exact_Mass	586.16864101
52598	XLogP3-AA	3.7
7098662	Defined_Atom_Stereo_Count	10
59194207	XLogP3-AA	0.7
60021	Hydrogen_Bond_Acceptor_Count	9
10101269	Mono_Isotopic_Weight	703.87857
71210615	Non-hydrogen_Atom_Count	23
40428945	XLogP3	0.1
7423	XLogP3	1.4
6066	Defined_Bond_Stereo_Count	0
13469816	Rotatable_Bond_Count	1
21999609	Total_Formal_Charge	0
8468	Defined_Atom_Stereo_Count	0
135446965	Non-hydrogen_Atom_Count	33
9589606	Molecular_Weight	518.4
217	Mono_Isotopic_Weight	299.00722369
52112	Mono_Isotopic_Weight	383.01307
441035	Undefined_Bond_Stereo_Count	0
556209	Non-hydrogen_Atom_Count	7
124012131	TPSA	49.5
135431094	Hydrogen_Bond_Donor_Count	5
21792546	Isotope_Atom_Count	0
129853561	Covalent_Unit_Count	2
80296024	Structure_Complexity	136
88855	Hydrogen_Bond_Donor_Count	0
6918637	TPSA	98.7
91302105	XLogP3-AA	0.3
440317	Rotatable_Bond_Count	8
158032	XLogP3	4.4
11018827	Undefined_Bond_Stereo_Count	0
71584544	Hydrogen_Bond_Donor_Count	2
82658	Molecular_Weight	140.18
7823	Exact_Mass	134.094294304
135484551	Hydrogen_Bond_Acceptor_Count	9
26229	Mono_Isotopic_Weight	186.0083718
155713	XLogP3	0.8
15584178	Defined_Atom_Stereo_Count	0
3659	Undefined_Atom_Stereo_Count	16
11320921	Defined_Atom_Stereo_Count	0
7421	Non-hydrogen_Atom_Count	10
52942212	Isotope_Atom_Count	0
165154846	Hydrogen_Bond_Acceptor_Count	2
8641	Undefined_Atom_Stereo_Count	0
6918331	Defined_Bond_Stereo_Count	0
963289	Hydrogen_Bond_Acceptor_Count	3
97523	Undefined_Atom_Stereo_Count	0
2576	Hydrogen_Bond_Acceptor_Count	4
11717025	Structure_Complexity	451
11029762	Covalent_Unit_Count	1
75779	Rotatable_Bond_Count	28
14494973	Hydrogen_Bond_Donor_Count	0
22737404	Hydrogen_Bond_Acceptor_Count	3
57202979	Undefined_Bond_Stereo_Count	0
98043898	Structure_Complexity	688
169005	Undefined_Bond_Stereo_Count	0
3001	Molecular_Weight	372.5
45108235	Rotatable_Bond_Count	9
138527	Isotope_Atom_Count	0
38687	Total_Formal_Charge	0
202792	TPSA	57.1
82197	XLogP3	1.6
6097177	Mono_Isotopic_Weight	313.8723432
16133793	Isotope_Atom_Count	0
5282706	Defined_Bond_Stereo_Count	1
78609	Rotatable_Bond_Count	10
522007	Mono_Isotopic_Weight	102.104465066
49865496	Defined_Bond_Stereo_Count	0
97383	Isotope_Atom_Count	0
3942	Undefined_Atom_Stereo_Count	0
13561474	Hydrogen_Bond_Donor_Count	1
12493366	TPSA	32.1
79043	TPSA	0
11954310	Exact_Mass	452.32904526
8481	Covalent_Unit_Count	1
42334	Non-hydrogen_Atom_Count	20
3086674	Hydrogen_Bond_Acceptor_Count	4
86739056	XLogP3-AA	3
41530	Defined_Bond_Stereo_Count	0
16123056	Total_Formal_Charge	0
67495	Exact_Mass	198.05032149
76207	Structure_Complexity	164
83891	Undefined_Bond_Stereo_Count	0
15950	Defined_Bond_Stereo_Count	0
156614059	Structure_Complexity	112
11395145	Rotatable_Bond_Count	7
5280353	Covalent_Unit_Count	1
14813	Undefined_Atom_Stereo_Count	0
8862	Structure_Complexity	66.9
17149	Molecular_Weight	98.19
87964902	Isotope_Atom_Count	0
23674739	Undefined_Bond_Stereo_Count	0
45588096	Structure_Complexity	10300
81896	Undefined_Bond_Stereo_Count	0
66082	Rotatable_Bond_Count	2
67437	Exact_Mass	156.115029749
141167	Non-hydrogen_Atom_Count	6
347475	Hydrogen_Bond_Acceptor_Count	1
91575456	Non-hydrogen_Atom_Count	7
443879	Exact_Mass	325.240564612
62327	Isotope_Atom_Count	0
15529	Hydrogen_Bond_Acceptor_Count	3
18795105	Isotope_Atom_Count	0
25010550	Total_Formal_Charge	0
19989301	Defined_Bond_Stereo_Count	0
24946103	XLogP3-AA	4.4
91474	Total_Formal_Charge	0
10778228	Total_Formal_Charge	0
16682828	TPSA	26.3
65664	Tautomer_Count	1
15204529	Rotatable_Bond_Count	0
3991	Total_Formal_Charge	1
18955264	Hydrogen_Bond_Acceptor_Count	2
241419	Hydrogen_Bond_Donor_Count	1
5353422	Exact_Mass	460.20971797
18696583	Tautomer_Count	1
7083	Non-hydrogen_Atom_Count	20
186	Structure_Complexity	133
138199	Mono_Isotopic_Weight	86.036779430
129600765	Rotatable_Bond_Count	4
10492	Tautomer_Count	1
11747547	Defined_Bond_Stereo_Count	0
11366954	Undefined_Bond_Stereo_Count	0
13416	Defined_Bond_Stereo_Count	0
54250649	Defined_Atom_Stereo_Count	0
51025660	Defined_Bond_Stereo_Count	0
2157	Defined_Atom_Stereo_Count	0
90475888	Exact_Mass	470.99330419
75357	Hydrogen_Bond_Acceptor_Count	4
138117	Covalent_Unit_Count	1
14803	Hydrogen_Bond_Acceptor_Count	2
6154	Tautomer_Count	2
123867984	TPSA	9.2
30131	XLogP3-AA	3.1
13597991	Isotope_Atom_Count	0
12540922	Total_Formal_Charge	0
279506	TPSA	57.5
21324831	XLogP3-AA	1.1
16637767	Total_Formal_Charge	0
8811	Molecular_Weight	264.32
9859	Mono_Isotopic_Weight	262.24720734
40326	TPSA	35.5
98621118	Defined_Atom_Stereo_Count	6
413540	Hydrogen_Bond_Donor_Count	0
74732	Hydrogen_Bond_Acceptor_Count	3
53807546	Undefined_Atom_Stereo_Count	0
731207	Structure_Complexity	376
5289373	TPSA	97.7
163432987	Hydrogen_Bond_Acceptor_Count	3
57445155	Undefined_Atom_Stereo_Count	0
91532137	Undefined_Bond_Stereo_Count	0
11522448	Non-hydrogen_Atom_Count	20
91525	Structure_Complexity	1140
20055352	Rotatable_Bond_Count	1
1649	Rotatable_Bond_Count	0
62662	Mono_Isotopic_Weight	277.960618
821	Undefined_Atom_Stereo_Count	24
30856	Rotatable_Bond_Count	0
5311096	Tautomer_Count	2
12480891	Structure_Complexity	91.2
56682220	Non-hydrogen_Atom_Count	33
9950891	Molecular_Weight	363.4
129319344	XLogP3-AA	12.1
16682935	Rotatable_Bond_Count	0
6451151	Total_Formal_Charge	0
20607721	Hydrogen_Bond_Acceptor_Count	0
44442065	Hydrogen_Bond_Acceptor_Count	5
75057	Isotope_Atom_Count	0
135503538	TPSA	129
144546	Hydrogen_Bond_Acceptor_Count	0
151473	Non-hydrogen_Atom_Count	14
12388	Hydrogen_Bond_Donor_Count	0
132999	Defined_Bond_Stereo_Count	0
60063	XLogP3-AA	0.4
129671450	Mono_Isotopic_Weight	71.037113783
147205698	TPSA	31.2
24901141	Hydrogen_Bond_Acceptor_Count	6
8458	Molecular_Weight	217.20
446998	Molecular_Weight	291.33
44516953	Structure_Complexity	913
16036788	Isotope_Atom_Count	0
62232962	Mono_Isotopic_Weight	112.052429494
442872	Rotatable_Bond_Count	0
634470	Rotatable_Bond_Count	4
18646844	Hydrogen_Bond_Acceptor_Count	11
53466	TPSA	57
656911	Molecular_Weight	247.30
9883915	Undefined_Atom_Stereo_Count	0
61393223	XLogP3-AA	0.8
114849	Mono_Isotopic_Weight	131.069476538
9093	TPSA	18.5
60196306	Covalent_Unit_Count	1
23674496	TPSA	105
199539	Defined_Bond_Stereo_Count	0
62774675	Molecular_Weight	116.16
49217	Structure_Complexity	337
15940185	TPSA	199
9901	Hydrogen_Bond_Acceptor_Count	2
259994	Defined_Atom_Stereo_Count	1
88729	Total_Formal_Charge	0
12333	Rotatable_Bond_Count	2
20298629	Rotatable_Bond_Count	8
133083079	Undefined_Atom_Stereo_Count	0
64883	Undefined_Bond_Stereo_Count	0
44410953	Covalent_Unit_Count	1
5311023	Molecular_Weight	473.6
534094	Non-hydrogen_Atom_Count	6
131751505	Undefined_Bond_Stereo_Count	0
16047027	Covalent_Unit_Count	2
72311	Covalent_Unit_Count	2
24536	Isotope_Atom_Count	0
816	Structure_Complexity	639
6397	Rotatable_Bond_Count	0
29732	Structure_Complexity	462
9942133	Covalent_Unit_Count	1
17995361	Hydrogen_Bond_Donor_Count	0
5702098	Hydrogen_Bond_Acceptor_Count	3
316249	Defined_Atom_Stereo_Count	0
90470403	Non-hydrogen_Atom_Count	13
42552697	Isotope_Atom_Count	0
4693	Mono_Isotopic_Weight	776.31382363
146170507	Undefined_Atom_Stereo_Count	0
16051918	Defined_Bond_Stereo_Count	0
24826799	Total_Formal_Charge	0
57123584	Mono_Isotopic_Weight	113.047678466
22784	Undefined_Atom_Stereo_Count	0
14116454	Hydrogen_Bond_Acceptor_Count	2
51701	Isotope_Atom_Count	0
134129845	Exact_Mass	1039.43679229
54471	Hydrogen_Bond_Donor_Count	1
110976	Covalent_Unit_Count	1
11115	Exact_Mass	236.152477885
643774	Hydrogen_Bond_Acceptor_Count	1
138991760	Rotatable_Bond_Count	9
129318280	Hydrogen_Bond_Acceptor_Count	5
444514	Isotope_Atom_Count	0
34457	Defined_Atom_Stereo_Count	7
102738	Non-hydrogen_Atom_Count	14
9785	Undefined_Bond_Stereo_Count	0
11094545	Undefined_Bond_Stereo_Count	0
17945614	Covalent_Unit_Count	1
164543616	Mono_Isotopic_Weight	113.047678466
5937	TPSA	104
20055121	TPSA	190
44562492	Rotatable_Bond_Count	3
154104	Defined_Atom_Stereo_Count	1
64627	TPSA	69.3
24211936	Hydrogen_Bond_Acceptor_Count	5
131750190	Structure_Complexity	1280
79059	Defined_Bond_Stereo_Count	0
3957	Defined_Atom_Stereo_Count	0
158693	Undefined_Bond_Stereo_Count	0
9734	Structure_Complexity	108
104845	Exact_Mass	332.23514488
72402	Exact_Mass	363.12190603
9596	Covalent_Unit_Count	1
66550979	Hydrogen_Bond_Donor_Count	2
13871	Total_Formal_Charge	0
3842125	Hydrogen_Bond_Donor_Count	2
57800	Undefined_Atom_Stereo_Count	0
41555	Defined_Atom_Stereo_Count	0
39985	Tautomer_Count	9
6921705	Undefined_Atom_Stereo_Count	0
64588	XLogP3-AA	1.9
71758314	Covalent_Unit_Count	1
53904133	XLogP3-AA	0.2
90990	Defined_Atom_Stereo_Count	0
60196260	Covalent_Unit_Count	2
91196148	Structure_Complexity	2330
42614	Molecular_Weight	198.18
566597	Undefined_Bond_Stereo_Count	0
129672477	Hydrogen_Bond_Donor_Count	5
10217663	Molecular_Weight	491.6
20836217	XLogP3-AA	4.7
6024	Covalent_Unit_Count	1
11498	Undefined_Atom_Stereo_Count	0
12245594	Undefined_Bond_Stereo_Count	0
123388382	XLogP3-AA	0.5
44144829	Undefined_Bond_Stereo_Count	0
57029485	Total_Formal_Charge	0
6315	Hydrogen_Bond_Donor_Count	2
364849	Isotope_Atom_Count	0
5442	Rotatable_Bond_Count	0
5334356	Covalent_Unit_Count	1
75888	Defined_Bond_Stereo_Count	0
6182	TPSA	38
86811213	Tautomer_Count	1
24351	Isotope_Atom_Count	0
7516	Defined_Bond_Stereo_Count	0
48956	Total_Formal_Charge	0
57507	Hydrogen_Bond_Donor_Count	1
4255874	Defined_Atom_Stereo_Count	0
22057968	Defined_Atom_Stereo_Count	0
101186587	Hydrogen_Bond_Donor_Count	0
21930923	Total_Formal_Charge	0
71985	Total_Formal_Charge	0
3037918	Hydrogen_Bond_Acceptor_Count	1
24857	Exact_Mass	222.01758
23680396	Hydrogen_Bond_Donor_Count	2
1246	Defined_Bond_Stereo_Count	0
11932	Defined_Bond_Stereo_Count	0
146158693	Defined_Atom_Stereo_Count	2
54247939	Molecular_Weight	111.14
90657410	Molecular_Weight	620.7
54411340	Non-hydrogen_Atom_Count	7
13473	Mono_Isotopic_Weight	331.1161486
24014	Undefined_Bond_Stereo_Count	0
5282745	Non-hydrogen_Atom_Count	18
445319	Isotope_Atom_Count	0
12215992	Non-hydrogen_Atom_Count	8
42254	Isotope_Atom_Count	0
2723733	Defined_Bond_Stereo_Count	0
88955311	Hydrogen_Bond_Acceptor_Count	2
52109	Mono_Isotopic_Weight	358.0963313
29935	Defined_Atom_Stereo_Count	0
444360	Isotope_Atom_Count	0
18730079	Isotope_Atom_Count	0
53167	Hydrogen_Bond_Donor_Count	1
11007917	Exact_Mass	128.083729621
53825954	TPSA	101
8823	Molecular_Weight	122.21
16051921	Structure_Complexity	406
75464	Undefined_Bond_Stereo_Count	0
3939	Non-hydrogen_Atom_Count	2
93227	Undefined_Bond_Stereo_Count	0
656954	Non-hydrogen_Atom_Count	20
60967	Covalent_Unit_Count	1
9604	Covalent_Unit_Count	1
20064163	TPSA	46.2
543885	Isotope_Atom_Count	0
4168142	Defined_Bond_Stereo_Count	0
91468768	Structure_Complexity	161
92897	Tautomer_Count	1
3486729	Isotope_Atom_Count	0
133938	Defined_Atom_Stereo_Count	0
34295	Molecular_Weight	112.19
15532	Structure_Complexity	256
11947765	Isotope_Atom_Count	0
11233	Non-hydrogen_Atom_Count	8
556722	Non-hydrogen_Atom_Count	8
146158568	Molecular_Weight	527.5
58160574	Rotatable_Bond_Count	6
16113753	Hydrogen_Bond_Acceptor_Count	5
10290728	Undefined_Atom_Stereo_Count	0
22764074	Hydrogen_Bond_Donor_Count	0
77574	Undefined_Bond_Stereo_Count	0
178565	Tautomer_Count	4
4786	Structure_Complexity	110
9390	Defined_Bond_Stereo_Count	0
51380890	Defined_Bond_Stereo_Count	0
529399	Structure_Complexity	72.9
12623293	Tautomer_Count	1
15450	Total_Formal_Charge	0
118994155	Defined_Bond_Stereo_Count	0
100927764	Hydrogen_Bond_Acceptor_Count	4
2649	Undefined_Bond_Stereo_Count	0
101649230	Non-hydrogen_Atom_Count	19
118703	XLogP3-AA	4.8
60196390	Total_Formal_Charge	0
188914	Defined_Bond_Stereo_Count	0
40476	Non-hydrogen_Atom_Count	19
9846875	Total_Formal_Charge	0
87962	Non-hydrogen_Atom_Count	15
166931	Covalent_Unit_Count	1
12648409	Hydrogen_Bond_Donor_Count	1
12589	Non-hydrogen_Atom_Count	9
449593	Exact_Mass	118.086803626
91827561	Non-hydrogen_Atom_Count	65
44446780	Structure_Complexity	272
35136	Rotatable_Bond_Count	1
6419966	TPSA	244
40724	Hydrogen_Bond_Acceptor_Count	2
14742703	Exact_Mass	349.16779360
22320	Structure_Complexity	64.6
4168142	Rotatable_Bond_Count	8
42725	TPSA	81.1
52950190	Defined_Bond_Stereo_Count	0
59850618	Defined_Bond_Stereo_Count	0
10997483	Mono_Isotopic_Weight	171.068413911
443945	Non-hydrogen_Atom_Count	23
7518	Mono_Isotopic_Weight	109.052763847
69027241	Defined_Bond_Stereo_Count	0
5366258	Exact_Mass	170.167065321
57060020	TPSA	38
9547215	Defined_Atom_Stereo_Count	8
11543205	Exact_Mass	199.08445790
53846028	Rotatable_Bond_Count	0
5287565	Rotatable_Bond_Count	0
32247	XLogP3-AA	4.4
77946	Structure_Complexity	25.1
12205	Non-hydrogen_Atom_Count	10
15178985	Undefined_Bond_Stereo_Count	0
2781177	Defined_Atom_Stereo_Count	0
234105	Hydrogen_Bond_Donor_Count	2
257501	Defined_Atom_Stereo_Count	0
16213872	Defined_Bond_Stereo_Count	0
53825857	XLogP3-AA	1
37907	Defined_Bond_Stereo_Count	0
21817601	Defined_Atom_Stereo_Count	0
16733482	XLogP3-AA	2.8
10046404	Non-hydrogen_Atom_Count	29
23662382	Total_Formal_Charge	0
104955	Non-hydrogen_Atom_Count	28
16627	TPSA	26.3
82550	TPSA	29.1
90977886	Molecular_Weight	110.20
5478927	Hydrogen_Bond_Donor_Count	0
6442928	Mono_Isotopic_Weight	408.15326573
99472	Defined_Bond_Stereo_Count	0
72200673	Undefined_Bond_Stereo_Count	0
71426	Structure_Complexity	447
167685	Rotatable_Bond_Count	5
69272932	TPSA	62.2
5994	Exact_Mass	314.224580195
44097	Isotope_Atom_Count	0
1385	Undefined_Atom_Stereo_Count	0
141103237	Exact_Mass	116.083729621
84590	Undefined_Atom_Stereo_Count	0
6603149	Defined_Bond_Stereo_Count	0
19688498	Defined_Bond_Stereo_Count	0
92043446	Defined_Atom_Stereo_Count	4
6918485	Hydrogen_Bond_Acceptor_Count	8
14989494	Defined_Bond_Stereo_Count	0
97035	Defined_Atom_Stereo_Count	0
54332589	Undefined_Bond_Stereo_Count	1
10930781	Structure_Complexity	1580
10892	Hydrogen_Bond_Acceptor_Count	2
53346602	Isotope_Atom_Count	0
5249877	Defined_Atom_Stereo_Count	0
16219954	Total_Formal_Charge	0
453214	Isotope_Atom_Count	0
71357440	Defined_Atom_Stereo_Count	0
7721	Undefined_Atom_Stereo_Count	0
107327	Non-hydrogen_Atom_Count	16
13068890	Hydrogen_Bond_Acceptor_Count	1
69871	Mono_Isotopic_Weight	177.00376279
102452877	Total_Formal_Charge	0
95229	Defined_Bond_Stereo_Count	0
54215673	Defined_Bond_Stereo_Count	0
75269	Mono_Isotopic_Weight	88.016043985
778602	Total_Formal_Charge	0
11474	Total_Formal_Charge	0
12968	Total_Formal_Charge	0
519	Molecular_Weight	258.12
5663	Isotope_Atom_Count	0
127516	Exact_Mass	378.18425212
57674785	Non-hydrogen_Atom_Count	8
24986999	Defined_Atom_Stereo_Count	4
449459	TPSA	32.7
78035	Molecular_Weight	83.09
53952576	Exact_Mass	96.093900383
8924	Mono_Isotopic_Weight	215.236147938
58481202	Molecular_Weight	342.30
84148	Structure_Complexity	86.5
11689	Mono_Isotopic_Weight	487.88950
13628993	Covalent_Unit_Count	3
21470	Molecular_Weight	696.8
31	Defined_Atom_Stereo_Count	0
13647	Rotatable_Bond_Count	1
63952	TPSA	90.8
9933004	Rotatable_Bond_Count	6
139061453	Rotatable_Bond_Count	0
65583	Molecular_Weight	422.3
85988	Mono_Isotopic_Weight	172.08479225
71707	Mono_Isotopic_Weight	249.172878976
12922658	Undefined_Bond_Stereo_Count	0
20264925	Hydrogen_Bond_Acceptor_Count	2
15273920	Defined_Bond_Stereo_Count	0
9936489	Molecular_Weight	520.0
1808	Defined_Bond_Stereo_Count	0
6435824	Defined_Atom_Stereo_Count	0
9918381	Total_Formal_Charge	0
11957669	Exact_Mass	255.1389920
30843	Non-hydrogen_Atom_Count	27
23368	Mono_Isotopic_Weight	230.15180918
16540	Covalent_Unit_Count	1
135431272	TPSA	67.5
49853507	Covalent_Unit_Count	2
18414852	Isotope_Atom_Count	0
11949597	TPSA	69.4
3057	Non-hydrogen_Atom_Count	34
55281352	Covalent_Unit_Count	1
260859	Non-hydrogen_Atom_Count	25
66081	Tautomer_Count	1
56626368	Rotatable_Bond_Count	2
23479	Undefined_Atom_Stereo_Count	1
122442248	Defined_Atom_Stereo_Count	0
15950085	Non-hydrogen_Atom_Count	31
323701	Total_Formal_Charge	0
168871	Total_Formal_Charge	0
10048103	Mono_Isotopic_Weight	426.16785316
54586288	Undefined_Atom_Stereo_Count	0
143122	Exact_Mass	110.109550447
12895043	Covalent_Unit_Count	1
16134956	Tautomer_Count	1000
687	Undefined_Atom_Stereo_Count	3
1930	Total_Formal_Charge	0
439299	Structure_Complexity	367
21943994	Molecular_Weight	690.8
25335	Exact_Mass	199.157228913
135391044	Hydrogen_Bond_Acceptor_Count	14
59899303	Non-hydrogen_Atom_Count	8
136709	Hydrogen_Bond_Acceptor_Count	0
4936	Isotope_Atom_Count	0
566069	XLogP3-AA	2.2
10448938	Rotatable_Bond_Count	4
7831	Rotatable_Bond_Count	23
84647654	Mono_Isotopic_Weight	111.068413911
11355464	Undefined_Atom_Stereo_Count	1
3889	TPSA	232
19830152	XLogP3-AA	0
40341	Molecular_Weight	305.07
11768891	Tautomer_Count	1
5282948	Non-hydrogen_Atom_Count	21
5242388	XLogP3-AA	1.8
25070195	Structure_Complexity	536
34574	Exact_Mass	241.085126602
15078	Hydrogen_Bond_Donor_Count	3
23673837	Defined_Bond_Stereo_Count	0
71512	TPSA	26.3
89399042	Covalent_Unit_Count	1
398744	Covalent_Unit_Count	1
91763	Isotope_Atom_Count	0
2092	Defined_Bond_Stereo_Count	0
12285877	Tautomer_Count	1
3357	Molecular_Weight	369.34
821629	Hydrogen_Bond_Acceptor_Count	5
6331630	Defined_Bond_Stereo_Count	0
121207552	Defined_Bond_Stereo_Count	0
42580057	Undefined_Bond_Stereo_Count	0
8579	Defined_Bond_Stereo_Count	0
5136276	Defined_Atom_Stereo_Count	0
99922	Rotatable_Bond_Count	3
163199229	Mono_Isotopic_Weight	1128.44808525
12167465	Undefined_Atom_Stereo_Count	0
89312617	Defined_Atom_Stereo_Count	0
6279	Covalent_Unit_Count	1
126456023	Hydrogen_Bond_Donor_Count	3
1888	Mono_Isotopic_Weight	352.22497412
6426849	Exact_Mass	329.12969401
5360881	Total_Formal_Charge	0
17779928	Hydrogen_Bond_Acceptor_Count	0
22571	Molecular_Weight	361.5
11528337	XLogP3-AA	0.7
21430317	TPSA	0
13808253	Exact_Mass	100.052429494
156614059	Undefined_Atom_Stereo_Count	0
149433	Mono_Isotopic_Weight	125.084063974
119096639	Covalent_Unit_Count	1
54695720	Mono_Isotopic_Weight	407.999111
46919879	Molecular_Weight	490.5
362096	Covalent_Unit_Count	1
6128	Rotatable_Bond_Count	0
447407	Exact_Mass	228.11100700
81540	Defined_Bond_Stereo_Count	0
123804812	Hydrogen_Bond_Donor_Count	0
27234	Isotope_Atom_Count	0
135544356	Hydrogen_Bond_Acceptor_Count	16
11587	Rotatable_Bond_Count	2
57385877	Mono_Isotopic_Weight	369.24162724
43499891	Isotope_Atom_Count	0
21977262	Molecular_Weight	212.00
636345	Mono_Isotopic_Weight	880.1479789
134715447	Rotatable_Bond_Count	15
70696332	Hydrogen_Bond_Donor_Count	1
5311201	Molecular_Weight	398.5
6918160	Undefined_Bond_Stereo_Count	0
5057599	Undefined_Bond_Stereo_Count	0
129738943	Mono_Isotopic_Weight	107.048347172
15979	Mono_Isotopic_Weight	268.313001276
13450484	Non-hydrogen_Atom_Count	8
47297	Defined_Bond_Stereo_Count	0
78514	Undefined_Bond_Stereo_Count	0
159278	Structure_Complexity	306
119095779	Undefined_Atom_Stereo_Count	0
672296	Rotatable_Bond_Count	1
41955	Isotope_Atom_Count	0
20472042	Exact_Mass	140.047344113
92979	Undefined_Atom_Stereo_Count	0
57229732	Total_Formal_Charge	0
60196262	Mono_Isotopic_Weight	1266.73295702
3080714	Non-hydrogen_Atom_Count	32
5177120	Molecular_Weight	115.11
12231382	Mono_Isotopic_Weight	114.104465066
67512	Molecular_Weight	112.17
85669790	XLogP3-AA	1.7
9076	TPSA	35.2
53639246	Hydrogen_Bond_Acceptor_Count	2
8275	Rotatable_Bond_Count	4
66057	Non-hydrogen_Atom_Count	7
12787246	Undefined_Bond_Stereo_Count	0
7566944	Exact_Mass	342.11621151
731747	Hydrogen_Bond_Acceptor_Count	5
3661	Covalent_Unit_Count	1
3034368	TPSA	181
71681318	Defined_Atom_Stereo_Count	0
66708	Hydrogen_Bond_Acceptor_Count	2
14286	Hydrogen_Bond_Donor_Count	0
56845780	Isotope_Atom_Count	0
21902132	Molecular_Weight	101.10
78457	Undefined_Atom_Stereo_Count	0
23725625	Undefined_Atom_Stereo_Count	0
30108	Molecular_Weight	233.26
88709052	Undefined_Atom_Stereo_Count	2
59603622	Hydrogen_Bond_Acceptor_Count	8
72573106	TPSA	58.3
37968	Undefined_Atom_Stereo_Count	0
60054	Tautomer_Count	1
5944	Exact_Mass	196.07355886
358	Undefined_Bond_Stereo_Count	0
821629	Undefined_Bond_Stereo_Count	0
47304	Mono_Isotopic_Weight	258.173213330
1553	Undefined_Bond_Stereo_Count	0
20674	Hydrogen_Bond_Acceptor_Count	4
73648	Rotatable_Bond_Count	6
23352	Hydrogen_Bond_Acceptor_Count	1
65535	TPSA	31.8
21868057	Isotope_Atom_Count	0
9806063	Rotatable_Bond_Count	0
750205	Undefined_Atom_Stereo_Count	0
56626310	Molecular_Weight	226.27
42163	Rotatable_Bond_Count	6
9504	Undefined_Bond_Stereo_Count	0
725	Structure_Complexity	110
5289547	Defined_Atom_Stereo_Count	6
96457	TPSA	112
79865794	Structure_Complexity	118
74262	TPSA	0
10271170	Molecular_Weight	380.8
5451	Non-hydrogen_Atom_Count	35
9960	Undefined_Bond_Stereo_Count	0
34458	Defined_Bond_Stereo_Count	0
66711	TPSA	31.4
10798	Defined_Atom_Stereo_Count	0
122023	Molecular_Weight	360.5
18718236	Mono_Isotopic_Weight	111.068413911
7185	Structure_Complexity	349
11418	Isotope_Atom_Count	0
134879127	Non-hydrogen_Atom_Count	23
92158	Non-hydrogen_Atom_Count	31
543881	Hydrogen_Bond_Acceptor_Count	1
6409631	Hydrogen_Bond_Donor_Count	8
129676328	Rotatable_Bond_Count	0
439468	Exact_Mass	579.89504254
16005120	Molecular_Weight	93.13
115017	Mono_Isotopic_Weight	152.062600255
90931176	Hydrogen_Bond_Acceptor_Count	0
101175466	Defined_Atom_Stereo_Count	0
66773	Hydrogen_Bond_Donor_Count	1
77014	Non-hydrogen_Atom_Count	11
11741	Hydrogen_Bond_Donor_Count	2
5460291	Structure_Complexity	104
83904778	Defined_Atom_Stereo_Count	0
135988	Mono_Isotopic_Weight	110.109550447
443971	Mono_Isotopic_Weight	216.05108644
26684	Mono_Isotopic_Weight	310.1248191
129852452	Total_Formal_Charge	0
12818200	Mono_Isotopic_Weight	366.16132849
12285856	Undefined_Atom_Stereo_Count	1
22103887	Rotatable_Bond_Count	2
34332	Hydrogen_Bond_Donor_Count	0
159190124	TPSA	279
135027	Hydrogen_Bond_Acceptor_Count	2
2406	Rotatable_Bond_Count	2
18644925	Covalent_Unit_Count	1
154171248	Undefined_Atom_Stereo_Count	1
47491	Defined_Bond_Stereo_Count	0
70412	Structure_Complexity	377
2349	Defined_Atom_Stereo_Count	0
12699161	Hydrogen_Bond_Acceptor_Count	1
21804	Undefined_Bond_Stereo_Count	0
36978	Total_Formal_Charge	0
168871	Molecular_Weight	563.7
25724	XLogP3-AA	1.2
12084878	Defined_Atom_Stereo_Count	0
90936519	Hydrogen_Bond_Donor_Count	5
12702817	Mono_Isotopic_Weight	109.01393355
6979027	Molecular_Weight	303.35
119025724	Defined_Bond_Stereo_Count	0
11627212	Molecular_Weight	484.6
25191018	Molecular_Weight	436.5
4093	Molecular_Weight	86.09
7910	XLogP3-AA	1.7
135499879	Mono_Isotopic_Weight	405.14707541
24848177	Defined_Atom_Stereo_Count	0
46204458	Molecular_Weight	554.7
46889118	Undefined_Atom_Stereo_Count	0
57394598	Undefined_Atom_Stereo_Count	0
13853	Exact_Mass	86.073164938
3801	Total_Formal_Charge	1
6321413	Rotatable_Bond_Count	7
23581869	Defined_Atom_Stereo_Count	0
3567443	Mono_Isotopic_Weight	231.100776666
7213685	Defined_Bond_Stereo_Count	0
609	Covalent_Unit_Count	1
12444348	Undefined_Bond_Stereo_Count	0
9892071	Molecular_Weight	497.6
91302105	Hydrogen_Bond_Acceptor_Count	2
32345	Covalent_Unit_Count	1
66755	Defined_Bond_Stereo_Count	0
135942119	TPSA	297
71323	Defined_Bond_Stereo_Count	0
6918155	Defined_Bond_Stereo_Count	0
8820	Non-hydrogen_Atom_Count	7
135084	Tautomer_Count	18
8422	Defined_Bond_Stereo_Count	0
10090192	Molecular_Weight	364.5
1584822	Isotope_Atom_Count	0
16240279	Structure_Complexity	910
20623561	Undefined_Bond_Stereo_Count	0
74236	Hydrogen_Bond_Donor_Count	0
85217	Rotatable_Bond_Count	2
101640759	Defined_Atom_Stereo_Count	0
153805791	Hydrogen_Bond_Acceptor_Count	3
53388942	XLogP3-AA	4.4
19589	Rotatable_Bond_Count	3
11264371	TPSA	103
54572926	Undefined_Atom_Stereo_Count	0
71461541	Hydrogen_Bond_Acceptor_Count	6
6971018	Undefined_Atom_Stereo_Count	0
30065	Exact_Mass	261.172878976
31250	Defined_Bond_Stereo_Count	0
137655	TPSA	0
67568	Hydrogen_Bond_Acceptor_Count	2
11313946	TPSA	125
23701721	Undefined_Atom_Stereo_Count	0
84531	Non-hydrogen_Atom_Count	11
121599	Defined_Atom_Stereo_Count	0
130917941	Rotatable_Bond_Count	3
440927	Defined_Bond_Stereo_Count	0
493662	TPSA	331
14251035	Non-hydrogen_Atom_Count	8
102590130	Rotatable_Bond_Count	96
138975	Total_Formal_Charge	0
131704316	Exact_Mass	898.40871
71469	Molecular_Weight	1092.2
585174	Mono_Isotopic_Weight	136.052429494
86356	Isotope_Atom_Count	0
94097	Covalent_Unit_Count	1
27465	Molecular_Weight	322.0
14976610	Mono_Isotopic_Weight	109.089149355
66316	Structure_Complexity	260
88728889	TPSA	58.7
249332	TPSA	254
20587740	XLogP3-AA	1.6
2159	Defined_Atom_Stereo_Count	0
153986581	Undefined_Bond_Stereo_Count	0
136219151	Undefined_Bond_Stereo_Count	0
6992020	Hydrogen_Bond_Acceptor_Count	4
309734	TPSA	29.1
60336	Defined_Atom_Stereo_Count	0
4788452	Undefined_Bond_Stereo_Count	0
85539715	Undefined_Bond_Stereo_Count	0
13721	Undefined_Bond_Stereo_Count	0
4653	Isotope_Atom_Count	0
74041115	TPSA	0
5318	Undefined_Bond_Stereo_Count	0
7	XLogP3	0.2
5357580	Hydrogen_Bond_Acceptor_Count	4
22058225	Undefined_Atom_Stereo_Count	2
80037	Covalent_Unit_Count	1
6926437	Hydrogen_Bond_Acceptor_Count	3
3584	XLogP3-AA	2.7
53983207	Isotope_Atom_Count	0
6844	Rotatable_Bond_Count	1
5487313	Undefined_Bond_Stereo_Count	0
255	Hydrogen_Bond_Acceptor_Count	8
314533	Hydrogen_Bond_Donor_Count	2
2776666	Covalent_Unit_Count	1
219099	Total_Formal_Charge	0
20054868	TPSA	380
131966764	Mono_Isotopic_Weight	180.06338810
161166	Hydrogen_Bond_Donor_Count	3
104903	Rotatable_Bond_Count	6
36272	Structure_Complexity	710
5144	Total_Formal_Charge	0
211	XLogP3-AA	0.6
6604914	Undefined_Bond_Stereo_Count	0
38881	Total_Formal_Charge	0
21719780	Undefined_Bond_Stereo_Count	0
791	Mono_Isotopic_Weight	131.094628657
73386890	Rotatable_Bond_Count	8
46926544	Undefined_Atom_Stereo_Count	0
17898	Mono_Isotopic_Weight	124.063662883
17994152	Molecular_Weight	62.07
4913256	Non-hydrogen_Atom_Count	7
145720674	Hydrogen_Bond_Acceptor_Count	20
154171248	Rotatable_Bond_Count	2
142566105	Covalent_Unit_Count	1
12488467	Defined_Bond_Stereo_Count	0
455799	Isotope_Atom_Count	0
60198	Undefined_Atom_Stereo_Count	0
72823181	Non-hydrogen_Atom_Count	45
10004622	Non-hydrogen_Atom_Count	34
76218	Isotope_Atom_Count	0
10857465	Hydrogen_Bond_Acceptor_Count	1
3086428	Hydrogen_Bond_Donor_Count	8
16698	Exact_Mass	298.97249195
7857	Mono_Isotopic_Weight	57.021463719
8165	Covalent_Unit_Count	1
3513	XLogP3-AA	2.7
60873	Defined_Bond_Stereo_Count	0
954444	Mono_Isotopic_Weight	291.0581549
229075	Mono_Isotopic_Weight	110.059246208
989384	Mono_Isotopic_Weight	408.13550766
151318	Mono_Isotopic_Weight	294.99747
98490	Defined_Atom_Stereo_Count	0
16224058	Hydrogen_Bond_Donor_Count	2
40537360	Undefined_Bond_Stereo_Count	0
23422644	Covalent_Unit_Count	1
101870	Defined_Atom_Stereo_Count	0
3430	Undefined_Bond_Stereo_Count	4
24868320	Isotope_Atom_Count	0
24550	TPSA	0
24800211	Non-hydrogen_Atom_Count	25
5280443	Mono_Isotopic_Weight	270.05282342
4528	Rotatable_Bond_Count	1
2733984	Structure_Complexity	82.6
643203	Undefined_Bond_Stereo_Count	0
2216	Hydrogen_Bond_Acceptor_Count	2
529197	Total_Formal_Charge	0
139375	Defined_Atom_Stereo_Count	0
138397	Undefined_Atom_Stereo_Count	0
20298	Molecular_Weight	354.0
12264	Undefined_Atom_Stereo_Count	0
53317503	Mono_Isotopic_Weight	424.0859706
67113727	TPSA	30.3
77554	Hydrogen_Bond_Acceptor_Count	2
9930	Covalent_Unit_Count	2
144179158	Defined_Bond_Stereo_Count	0
12581088	Covalent_Unit_Count	1
21121497	Defined_Bond_Stereo_Count	0
125286695	Covalent_Unit_Count	1
8377	Defined_Bond_Stereo_Count	0
139073990	Exact_Mass	284.16237386
135854412	Undefined_Bond_Stereo_Count	0
122501	Non-hydrogen_Atom_Count	12
98452	Exact_Mass	116.047344113
89875063	Total_Formal_Charge	0
46919879	Rotatable_Bond_Count	15
68705	Undefined_Bond_Stereo_Count	0
22475	Defined_Bond_Stereo_Count	0
53384896	Undefined_Atom_Stereo_Count	13
3265	Mono_Isotopic_Weight	384.23005950
17811	Rotatable_Bond_Count	3
527559	Rotatable_Bond_Count	2
824336	Hydrogen_Bond_Acceptor_Count	5
68365445	Hydrogen_Bond_Donor_Count	0
4722579	XLogP3-AA	3
11000	Total_Formal_Charge	0
74348	Defined_Atom_Stereo_Count	0
3839223	Hydrogen_Bond_Acceptor_Count	3
11462536	Molecular_Weight	360.3
3423265	Molecular_Weight	288.38
12715	Structure_Complexity	82.5
23677058	Hydrogen_Bond_Acceptor_Count	3
198576	Mono_Isotopic_Weight	313.240564612
57235	Defined_Atom_Stereo_Count	0
21124737	Undefined_Bond_Stereo_Count	0
11251803	Defined_Atom_Stereo_Count	16
10251906	Defined_Bond_Stereo_Count	0
59227	Hydrogen_Bond_Donor_Count	1
13707495	Rotatable_Bond_Count	1
79177995	Hydrogen_Bond_Acceptor_Count	2
36245	XLogP3-AA	2
68215184	Covalent_Unit_Count	1
13848132	Total_Formal_Charge	0
42521	Non-hydrogen_Atom_Count	29
402037	Isotope_Atom_Count	0
11865437	Isotope_Atom_Count	0
153031243	XLogP3-AA	2.2
146157141	Defined_Atom_Stereo_Count	1
13212923	Exact_Mass	99.104799419
74070	Rotatable_Bond_Count	5
729	Exact_Mass	169.99802494
11626560	Hydrogen_Bond_Acceptor_Count	6
9915039	Undefined_Atom_Stereo_Count	0
22004078	TPSA	38.4
44120140	TPSA	113
2752647	Non-hydrogen_Atom_Count	7
117736498	TPSA	13.1
70922	Molecular_Weight	88.07
4552223	Total_Formal_Charge	0
76968809	TPSA	130
4162420	Covalent_Unit_Count	1
9895194	Defined_Bond_Stereo_Count	0
3088997	Tautomer_Count	2
520998	Exact_Mass	99.104799419
57336523	Undefined_Bond_Stereo_Count	0
22617391	Undefined_Bond_Stereo_Count	0
23668195	Molecular_Weight	150.89
62334	Molecular_Weight	198.30
544590	Defined_Bond_Stereo_Count	0
24867465	Total_Formal_Charge	0
5281793	Hydrogen_Bond_Acceptor_Count	10
31297	Molecular_Weight	114.55
68794	Undefined_Atom_Stereo_Count	3
10493732	Mono_Isotopic_Weight	290.199428076
3134	Isotope_Atom_Count	0
6444834	Undefined_Atom_Stereo_Count	1
71743843	Defined_Bond_Stereo_Count	0
91156	Exact_Mass	328.240230259
395450	Hydrogen_Bond_Donor_Count	0
135509116	Isotope_Atom_Count	0
13028868	Covalent_Unit_Count	1
4345	Total_Formal_Charge	0
7059	Undefined_Atom_Stereo_Count	0
69536	Defined_Bond_Stereo_Count	0
6716	Structure_Complexity	362
139074319	Undefined_Atom_Stereo_Count	0
15273920	Isotope_Atom_Count	0
53642689	Total_Formal_Charge	0
15593	Defined_Bond_Stereo_Count	0
33353	TPSA	83.1
6769	Hydrogen_Bond_Donor_Count	1
14691612	Undefined_Atom_Stereo_Count	1
91285707	Non-hydrogen_Atom_Count	7
23525993	Rotatable_Bond_Count	3
34327	Hydrogen_Bond_Acceptor_Count	0
3000	XLogP3	2.3
449215	TPSA	64.4
15424	Isotope_Atom_Count	0
146158974	Undefined_Atom_Stereo_Count	8
6505	Total_Formal_Charge	0
67564795	Rotatable_Bond_Count	1
66576988	Rotatable_Bond_Count	8
70680969	Covalent_Unit_Count	1
27436	Covalent_Unit_Count	1
169743	Tautomer_Count	2
13216994	Defined_Bond_Stereo_Count	0
47955	TPSA	40.5
233240	Molecular_Weight	162.15
11412777	Undefined_Bond_Stereo_Count	0
135398604	Hydrogen_Bond_Acceptor_Count	10
7359	Covalent_Unit_Count	1
71683048	Undefined_Bond_Stereo_Count	0
5365748	Structure_Complexity	197
77974	Defined_Bond_Stereo_Count	0
3058839	Non-hydrogen_Atom_Count	19
123888456	Covalent_Unit_Count	1
69624	TPSA	0
12316	Tautomer_Count	1
92094	Rotatable_Bond_Count	12
22602664	Defined_Bond_Stereo_Count	0
58935140	Defined_Atom_Stereo_Count	0
21253562	Tautomer_Count	1
66073187	Isotope_Atom_Count	0
14219	Hydrogen_Bond_Donor_Count	4
9797360	Defined_Atom_Stereo_Count	0
16183	Defined_Bond_Stereo_Count	0
9589475	TPSA	259
481709	Exact_Mass	300.0739936
359	Total_Formal_Charge	0
3531736	TPSA	69.9
20834260	Isotope_Atom_Count	0
90393	Structure_Complexity	292
6850744	Covalent_Unit_Count	1
19802062	Exact_Mass	101.047678466
10962	Defined_Bond_Stereo_Count	0
534753	Isotope_Atom_Count	0
12488467	Isotope_Atom_Count	0
15407	Defined_Atom_Stereo_Count	0
5464355	Undefined_Bond_Stereo_Count	0
11137142	Exact_Mass	117.0009064
53898601	Hydrogen_Bond_Acceptor_Count	2
6702	Isotope_Atom_Count	0
596593	XLogP3-AA	2
5745	Molecular_Weight	402.5
5463	Mono_Isotopic_Weight	322.05660244
53316407	Hydrogen_Bond_Donor_Count	0
135612794	Defined_Atom_Stereo_Count	0
20431673	Covalent_Unit_Count	1
9569	Undefined_Atom_Stereo_Count	9
136490	Rotatable_Bond_Count	2
163798512	Hydrogen_Bond_Donor_Count	7
114869	Hydrogen_Bond_Acceptor_Count	4
3153	Isotope_Atom_Count	0
441300	XLogP3-AA	0.9
12293	Structure_Complexity	99.7
12607584	Undefined_Bond_Stereo_Count	0
21836527	Molecular_Weight	111.10
20798615	Non-hydrogen_Atom_Count	7
27368	Covalent_Unit_Count	1
16158473	Hydrogen_Bond_Donor_Count	52
752860	Defined_Bond_Stereo_Count	0
136516	Covalent_Unit_Count	1
130143669	Undefined_Atom_Stereo_Count	4
5311051	Hydrogen_Bond_Acceptor_Count	5
5231576	Defined_Atom_Stereo_Count	0
12529300	Molecular_Weight	97.12
6420074	Covalent_Unit_Count	1
53895	Defined_Bond_Stereo_Count	0
6422232	Defined_Bond_Stereo_Count	0
23305129	Hydrogen_Bond_Donor_Count	4
12406682	Hydrogen_Bond_Donor_Count	0
441328	Rotatable_Bond_Count	4
35922	Undefined_Bond_Stereo_Count	0
2272	TPSA	24.7
58460742	Defined_Bond_Stereo_Count	0
23725063	Defined_Bond_Stereo_Count	0
72200758	Undefined_Atom_Stereo_Count	0
10399	Molecular_Weight	114.19
115107	TPSA	41.9
49296	Hydrogen_Bond_Donor_Count	2
15559154	Total_Formal_Charge	0
69341269	Non-hydrogen_Atom_Count	8
21946307	Defined_Bond_Stereo_Count	0
5650	Non-hydrogen_Atom_Count	32
76922	Isotope_Atom_Count	0
104609	Rotatable_Bond_Count	4
98048103	Hydrogen_Bond_Acceptor_Count	16
185902	Undefined_Bond_Stereo_Count	0
9280	Structure_Complexity	249
61124202	Total_Formal_Charge	0
10526	XLogP3-AA	1.6
10473927	Hydrogen_Bond_Acceptor_Count	4
6398969	TPSA	49.7
53320444	Undefined_Bond_Stereo_Count	0
6420038	Undefined_Atom_Stereo_Count	0
46930044	Isotope_Atom_Count	0
7764	Tautomer_Count	1
4827	Exact_Mass	479.17835
135398569	Defined_Atom_Stereo_Count	4
18730080	XLogP3-AA	3
53318410	Hydrogen_Bond_Acceptor_Count	3
9421	Defined_Bond_Stereo_Count	0
15588	Mono_Isotopic_Weight	287.05422040
135423438	Undefined_Bond_Stereo_Count	0
47297	Isotope_Atom_Count	0
430795	TPSA	13
17231	XLogP3	5
903698	Defined_Atom_Stereo_Count	0
40391	TPSA	32.7
59167199	Hydrogen_Bond_Donor_Count	0
6266	Non-hydrogen_Atom_Count	23
6851	Total_Formal_Charge	0
66692781	Molecular_Weight	277.4
135487863	Exact_Mass	204.15862589
11308	Exact_Mass	212.06847348
60207729	Mono_Isotopic_Weight	113.022526347
46206294	Hydrogen_Bond_Acceptor_Count	5
57187562	Defined_Bond_Stereo_Count	0
21275073	Defined_Bond_Stereo_Count	0
6438028	Tautomer_Count	1
13507	Defined_Atom_Stereo_Count	0
13346655	Hydrogen_Bond_Acceptor_Count	2
29124	Total_Formal_Charge	0
76714	TPSA	52
12331	Defined_Bond_Stereo_Count	0
6435500	Undefined_Atom_Stereo_Count	1
9799979	Exact_Mass	379.22597718
11625778	Molecular_Weight	413.5
22084	Hydrogen_Bond_Donor_Count	0
24891700	Undefined_Atom_Stereo_Count	0
12066	Undefined_Bond_Stereo_Count	0
7529	Undefined_Atom_Stereo_Count	0
71899	Total_Formal_Charge	0
10701806	Molecular_Weight	114.14
71727581	Isotope_Atom_Count	0
64722	Exact_Mass	345.1317986
5311504	Undefined_Atom_Stereo_Count	0
232838	TPSA	60.8
18626412	Structure_Complexity	63.1
12275054	Total_Formal_Charge	0
12948	Covalent_Unit_Count	2
135761165	TPSA	215
9051	Mono_Isotopic_Weight	312.208930132
143562	Total_Formal_Charge	0
7579	Structure_Complexity	162
4730	Isotope_Atom_Count	0
4163	Defined_Atom_Stereo_Count	0
21162824	Undefined_Atom_Stereo_Count	2
27503	Rotatable_Bond_Count	6
57656641	Non-hydrogen_Atom_Count	27
8406	Hydrogen_Bond_Donor_Count	1
10198397	TPSA	91.7
102515495	Molecular_Weight	300.37
26007	Defined_Atom_Stereo_Count	0
11229455	Structure_Complexity	101
157	Defined_Atom_Stereo_Count	0
12754038	Defined_Bond_Stereo_Count	0
13351229	Mono_Isotopic_Weight	100.063662883
19086	Non-hydrogen_Atom_Count	21
49806720	Non-hydrogen_Atom_Count	36
91610	Defined_Atom_Stereo_Count	0
533909	Undefined_Atom_Stereo_Count	0
3686723	Rotatable_Bond_Count	0
93286	Defined_Bond_Stereo_Count	0
72114	TPSA	40.6
7222	Rotatable_Bond_Count	0
18908	Total_Formal_Charge	0
60196325	Rotatable_Bond_Count	4
36688490	Rotatable_Bond_Count	2
70324	Mono_Isotopic_Weight	162.104465066
32681	Defined_Atom_Stereo_Count	6
680	Structure_Complexity	270
24853	Undefined_Atom_Stereo_Count	0
13574952	Molecular_Weight	118.13
21823262	Covalent_Unit_Count	1
69975	Defined_Bond_Stereo_Count	0
68365444	Covalent_Unit_Count	1
11727234	Mono_Isotopic_Weight	330.03756727
10048368	Molecular_Weight	431.3
23163355	Isotope_Atom_Count	0
104677	Mono_Isotopic_Weight	195.01024758
10695575	Exact_Mass	467.25727730
53462066	Tautomer_Count	2
6431771	Exact_Mass	343.12970781
141289	Rotatable_Bond_Count	3
123678537	XLogP3-AA	1.1
68547	TPSA	99.5
19283	Hydrogen_Bond_Donor_Count	0
649217	XLogP3-AA	5
10555	Covalent_Unit_Count	1
11181836	Non-hydrogen_Atom_Count	48
9548720	Structure_Complexity	641
60196281	Tautomer_Count	28
53486170	Covalent_Unit_Count	2
108137	TPSA	50.3
13349554	Molecular_Weight	110.20
49862577	TPSA	57.8
36255	Undefined_Bond_Stereo_Count	0
17358	Isotope_Atom_Count	0
32485	Non-hydrogen_Atom_Count	10
62514	Defined_Atom_Stereo_Count	0
243274	Non-hydrogen_Atom_Count	21
90297	Defined_Bond_Stereo_Count	0
11926	Total_Formal_Charge	0
11789342	Covalent_Unit_Count	1
65835	Defined_Bond_Stereo_Count	0
5282547	Isotope_Atom_Count	0
73357753	TPSA	89
62034	Undefined_Bond_Stereo_Count	0
70962	Hydrogen_Bond_Acceptor_Count	1
674976	Isotope_Atom_Count	0
31225	XLogP3	2.8
12097423	Non-hydrogen_Atom_Count	8
133109195	Covalent_Unit_Count	1
71341	Mono_Isotopic_Weight	349.01123610
909750	Molecular_Weight	341.4
3037565	Exact_Mass	322.25079494
12872199	Exact_Mass	112.052429494
135398597	Total_Formal_Charge	0
25255	XLogP3-AA	2.9
16662	Undefined_Bond_Stereo_Count	0
31097	Hydrogen_Bond_Donor_Count	1
13437377	Undefined_Atom_Stereo_Count	1
5319765	Defined_Atom_Stereo_Count	0
74739	XLogP3-AA	3.5
9915039	Exact_Mass	532.1796670
5243	Exact_Mass	437.02390878
22010122	Rotatable_Bond_Count	1
129851046	TPSA	37.3
17195	Undefined_Atom_Stereo_Count	0
12309520	Non-hydrogen_Atom_Count	24
62530	Exact_Mass	206.167065321
16197725	Undefined_Atom_Stereo_Count	0
6849	Molecular_Weight	173.17
12920383	Defined_Bond_Stereo_Count	0
84614	XLogP3-AA	3
69251960	Hydrogen_Bond_Donor_Count	1
21075956	Total_Formal_Charge	0
7416	XLogP3	1.9
60196374	Non-hydrogen_Atom_Count	10
104778	Defined_Atom_Stereo_Count	2
2723810	Hydrogen_Bond_Acceptor_Count	2
70702000	Isotope_Atom_Count	0
160458	Undefined_Bond_Stereo_Count	0
53032	Structure_Complexity	491
2734161	Hydrogen_Bond_Acceptor_Count	1
6940	Hydrogen_Bond_Donor_Count	1
91908	Defined_Bond_Stereo_Count	0
38382	Defined_Atom_Stereo_Count	0
91585	XLogP3-AA	0.2
7020	Defined_Atom_Stereo_Count	0
22024814	Isotope_Atom_Count	0
56659838	Undefined_Atom_Stereo_Count	0
198791	Molecular_Weight	293.12
248333	Undefined_Bond_Stereo_Count	0
7093	XLogP3	3.4
5284419	Exact_Mass	624.20542044
123933412	Structure_Complexity	174
184821	Tautomer_Count	2
55067	Rotatable_Bond_Count	0
131845588	Defined_Atom_Stereo_Count	0
17757212	Mono_Isotopic_Weight	423.1574413
547935	Covalent_Unit_Count	1
135659030	Total_Formal_Charge	0
23622607	Undefined_Bond_Stereo_Count	0
18065	Defined_Atom_Stereo_Count	0
67106798	Defined_Bond_Stereo_Count	0
66525	XLogP3-AA	5.9
16212480	Rotatable_Bond_Count	18
10461263	Defined_Atom_Stereo_Count	0
66251	Molecular_Weight	465.0
448071	Mono_Isotopic_Weight	84.093900383
62333	Undefined_Atom_Stereo_Count	2
12608294	Undefined_Bond_Stereo_Count	0
25124826	Undefined_Bond_Stereo_Count	0
3718378	Rotatable_Bond_Count	0
30541	Molecular_Weight	277.4
15644502	Isotope_Atom_Count	0
62493	TPSA	17.1
4180	TPSA	138
428338	Hydrogen_Bond_Donor_Count	2
821500	Isotope_Atom_Count	0
12443	Molecular_Weight	463.70
6829	Non-hydrogen_Atom_Count	15
11553369	Covalent_Unit_Count	2
130354549	Mono_Isotopic_Weight	100.063662883
643835	Structure_Complexity	35.3
11154555	Undefined_Bond_Stereo_Count	0
21275418	Covalent_Unit_Count	1
10964417	XLogP3-AA	1
2871	Mono_Isotopic_Weight	362.0144595
21872909	TPSA	173
1980698	Structure_Complexity	346
18923110	Hydrogen_Bond_Acceptor_Count	2
426409	Undefined_Atom_Stereo_Count	1
99334	Hydrogen_Bond_Donor_Count	0
549336	Defined_Atom_Stereo_Count	0
76152	Mono_Isotopic_Weight	140.04081944
14330987	Non-hydrogen_Atom_Count	9
90346255	Hydrogen_Bond_Acceptor_Count	6
81141	XLogP3	2.2
145391309	Mono_Isotopic_Weight	101.047678466
15681692	Total_Formal_Charge	0
16059	Defined_Bond_Stereo_Count	0
123093	Defined_Bond_Stereo_Count	0
119084740	Structure_Complexity	119
88209	TPSA	37.3
14786268	Undefined_Atom_Stereo_Count	0
156422	Hydrogen_Bond_Donor_Count	2
321436	Total_Formal_Charge	0
90708518	Hydrogen_Bond_Donor_Count	1
12435	Undefined_Atom_Stereo_Count	0
439177	Molecular_Weight	666.6
9872634	Covalent_Unit_Count	1
16109396	XLogP3-AA	2.6
598	TPSA	63.8
16750094	Defined_Bond_Stereo_Count	0
72747174	Mono_Isotopic_Weight	100.100048391
62784	Hydrogen_Bond_Acceptor_Count	4
79010	Isotope_Atom_Count	0
15211200	Defined_Bond_Stereo_Count	0
10683	Tautomer_Count	2
7943	Undefined_Bond_Stereo_Count	0
20561716	Total_Formal_Charge	0
77918	Structure_Complexity	130
13052471	Covalent_Unit_Count	1
923638	Structure_Complexity	400
532	Defined_Bond_Stereo_Count	0
71128	Structure_Complexity	348
5463	Defined_Atom_Stereo_Count	0
21895922	Undefined_Atom_Stereo_Count	2
445032	Rotatable_Bond_Count	5
11584	Mono_Isotopic_Weight	100.052429494
7523	Isotope_Atom_Count	0
15232	TPSA	248
99474	Undefined_Bond_Stereo_Count	0
61444	TPSA	95.6
5388936	Hydrogen_Bond_Acceptor_Count	11
240	Defined_Bond_Stereo_Count	0
717505	Total_Formal_Charge	0
19350299	Exact_Mass	152.99182081
12428018	Covalent_Unit_Count	1
12284866	Structure_Complexity	64
129893562	Hydrogen_Bond_Donor_Count	11
135421783	Total_Formal_Charge	1
26181	Total_Formal_Charge	0
163900	Molecular_Weight	132.16
49766037	Mono_Isotopic_Weight	111.068413911
45480603	Hydrogen_Bond_Donor_Count	3
6325	Total_Formal_Charge	0
99824	Isotope_Atom_Count	0
6435824	Structure_Complexity	125
36688207	Hydrogen_Bond_Acceptor_Count	2
140359629	Defined_Atom_Stereo_Count	0
19031522	Defined_Atom_Stereo_Count	0
70696864	Undefined_Bond_Stereo_Count	0
16211286	Hydrogen_Bond_Acceptor_Count	11
20384488	Hydrogen_Bond_Acceptor_Count	1
90206	Mono_Isotopic_Weight	294.20423867
123610	Isotope_Atom_Count	0
28187	Defined_Bond_Stereo_Count	0
3263	Undefined_Bond_Stereo_Count	0
74764146	Undefined_Bond_Stereo_Count	0
57286269	Defined_Atom_Stereo_Count	0
852344	Covalent_Unit_Count	1
138024	Hydrogen_Bond_Donor_Count	0
6419725	Molecular_Weight	536.9
53595	Hydrogen_Bond_Acceptor_Count	13
143745299	Non-hydrogen_Atom_Count	7
68490	Undefined_Atom_Stereo_Count	0
141130780	Defined_Bond_Stereo_Count	0
77449069	Total_Formal_Charge	0
153	Defined_Bond_Stereo_Count	0
16329	Exact_Mass	231.98876
146681183	Undefined_Bond_Stereo_Count	0
12229396	Isotope_Atom_Count	0
23700068	Defined_Atom_Stereo_Count	0
94011387	Mono_Isotopic_Weight	342.11621151
11513733	Exact_Mass	82.016712692
22288608	Mono_Isotopic_Weight	106.053098200
53999929	Defined_Bond_Stereo_Count	0
4159	Exact_Mass	374.20932405
20206342	Mono_Isotopic_Weight	83.037113783
56613357	Rotatable_Bond_Count	0
5151436	Total_Formal_Charge	0
45488111	Mono_Isotopic_Weight	444.12093841
3058839	Hydrogen_Bond_Acceptor_Count	3
53316474	Rotatable_Bond_Count	7
162413	Defined_Atom_Stereo_Count	0
88481084	Exact_Mass	422.36670574
135565472	Hydrogen_Bond_Acceptor_Count	7
16211460	Total_Formal_Charge	0
49867936	Structure_Complexity	815
135398645	Rotatable_Bond_Count	7
52949373	Covalent_Unit_Count	1
73415804	Defined_Bond_Stereo_Count	0
6113	Isotope_Atom_Count	0
71485	Undefined_Bond_Stereo_Count	0
230920	Molecular_Weight	154.25
27926	Isotope_Atom_Count	0
69935742	TPSA	52
16154789	Molecular_Weight	1198.9
5325574	Covalent_Unit_Count	1
151897	XLogP3	1.2
76118878	Defined_Bond_Stereo_Count	0
34665	Hydrogen_Bond_Acceptor_Count	5
24762228	Defined_Atom_Stereo_Count	2
40344	TPSA	52.9
11670791	Undefined_Atom_Stereo_Count	0
146156970	Exact_Mass	1346.574890
13260750	Tautomer_Count	1
15842094	Exact_Mass	705.63912
67258976	Undefined_Atom_Stereo_Count	0
249266	Undefined_Atom_Stereo_Count	0
6806	Total_Formal_Charge	0
8185	Hydrogen_Bond_Acceptor_Count	1
12331	Structure_Complexity	41.7
16183	Non-hydrogen_Atom_Count	11
5353355	Undefined_Bond_Stereo_Count	0
158793	Hydrogen_Bond_Acceptor_Count	5
3823887	TPSA	154
14112079	TPSA	40.5
55284122	Defined_Atom_Stereo_Count	0
32610	Covalent_Unit_Count	1
4295	Defined_Atom_Stereo_Count	0
71397	Total_Formal_Charge	0
45255840	TPSA	38.8
129693502	Hydrogen_Bond_Donor_Count	8
562087	Mono_Isotopic_Weight	206.094294304
9818540	TPSA	45.3
151243	Rotatable_Bond_Count	3
55285315	Exact_Mass	125.07014524
130152397	Hydrogen_Bond_Acceptor_Count	2
176907	Isotope_Atom_Count	0
17652	Tautomer_Count	1
220001	Molecular_Weight	164.16
5483624	Hydrogen_Bond_Acceptor_Count	2
22608833	Exact_Mass	114.9955546
115763542	Rotatable_Bond_Count	1
21783	Hydrogen_Bond_Donor_Count	1
70681777	Total_Formal_Charge	0
6895	Non-hydrogen_Atom_Count	9
55285	Undefined_Bond_Stereo_Count	0
12413939	Rotatable_Bond_Count	2
158729741	Hydrogen_Bond_Acceptor_Count	4
3017661	Defined_Atom_Stereo_Count	0
6432459	Structure_Complexity	432
162944617	Exact_Mass	904.44565070
4541	Tautomer_Count	1
47825	Defined_Bond_Stereo_Count	0
131709170	Hydrogen_Bond_Donor_Count	9
13023558	Undefined_Bond_Stereo_Count	0
2943	Structure_Complexity	290
10758834	Covalent_Unit_Count	1
74441105	XLogP3-AA	1.8
528411	Structure_Complexity	46.8
5460723	Hydrogen_Bond_Acceptor_Count	1
7511	Defined_Bond_Stereo_Count	0
954	Defined_Atom_Stereo_Count	0
1469	Rotatable_Bond_Count	15
6881	Tautomer_Count	4
198015	Undefined_Bond_Stereo_Count	0
44139752	Undefined_Bond_Stereo_Count	0
596237	Undefined_Bond_Stereo_Count	0
14956	Tautomer_Count	2
10129911	Defined_Atom_Stereo_Count	0
13613	Hydrogen_Bond_Donor_Count	0
11961	Structure_Complexity	192
449	Defined_Bond_Stereo_Count	0
6098	Covalent_Unit_Count	1
9942657	Defined_Atom_Stereo_Count	0
5460626	Defined_Atom_Stereo_Count	0
23058074	Mono_Isotopic_Weight	111.068413911
4668	TPSA	37.3
5541	Exact_Mass	218.07903816
968645	Molecular_Weight	247.33
98136	Hydrogen_Bond_Donor_Count	1
12182	Covalent_Unit_Count	1
3096300	Total_Formal_Charge	0
6918283	Covalent_Unit_Count	4
72163100	Isotope_Atom_Count	0
123867503	Total_Formal_Charge	0
134593	Mono_Isotopic_Weight	115.026943022
56205	Covalent_Unit_Count	2
11147674	Undefined_Bond_Stereo_Count	0
52005	Exact_Mass	340.98519
141678430	Mono_Isotopic_Weight	342.11621151
99271	Covalent_Unit_Count	1
102248370	Non-hydrogen_Atom_Count	23
18075	Tautomer_Count	20
2933256	Defined_Bond_Stereo_Count	0
76883	XLogP3-AA	3
60612	TPSA	28.7
69627	Undefined_Bond_Stereo_Count	0
443407	Structure_Complexity	772
289151	XLogP3-AA	5.1
12571	Rotatable_Bond_Count	4
60144418	Defined_Atom_Stereo_Count	0
39468	TPSA	58.6
82935	Mono_Isotopic_Weight	93.94853
188802	Hydrogen_Bond_Donor_Count	3
3045414	Exact_Mass	243.1026065
57394211	XLogP3-AA	3.9
444913	Non-hydrogen_Atom_Count	66
5288631	XLogP3-AA	4.9
15271	Non-hydrogen_Atom_Count	9
358641	Mono_Isotopic_Weight	543.19000284
123628273	XLogP3-AA	1.1
7025	Hydrogen_Bond_Acceptor_Count	4
21331	Undefined_Atom_Stereo_Count	0
2777993	Isotope_Atom_Count	0
11480819	Hydrogen_Bond_Acceptor_Count	6
6000	TPSA	80.6
11386747	TPSA	79.4
71600846	Isotope_Atom_Count	0
66304	Undefined_Bond_Stereo_Count	0
657378	Covalent_Unit_Count	1
7098630	Mono_Isotopic_Weight	342.11621151
139087394	Defined_Bond_Stereo_Count	0
74320	Tautomer_Count	1
135398501	Exact_Mass	551.24335857
17480032	Total_Formal_Charge	0
18713388	Non-hydrogen_Atom_Count	8
3538	Structure_Complexity	482
102821	Defined_Atom_Stereo_Count	0
11915	Covalent_Unit_Count	1
20483595	Mono_Isotopic_Weight	106.053098200
52865	Defined_Atom_Stereo_Count	0
44578617	Undefined_Atom_Stereo_Count	0
4921	Tautomer_Count	2
139243813	Defined_Atom_Stereo_Count	0
84849	XLogP3-AA	3.4
68526	Undefined_Bond_Stereo_Count	0
13848132	Non-hydrogen_Atom_Count	7
44457029	Isotope_Atom_Count	0
2729005	Isotope_Atom_Count	0
11065	Undefined_Atom_Stereo_Count	0
2114	Rotatable_Bond_Count	2
325	Hydrogen_Bond_Donor_Count	1
13003479	Total_Formal_Charge	0
439302	Mono_Isotopic_Weight	1006.43645793
83826166	Rotatable_Bond_Count	3
18710462	Isotope_Atom_Count	0
11457683	TPSA	26.3
6937	Undefined_Bond_Stereo_Count	0
21162824	Hydrogen_Bond_Acceptor_Count	2
3500	Hydrogen_Bond_Acceptor_Count	5
19402	Exact_Mass	374.0709720
12882458	Covalent_Unit_Count	1
89829	Non-hydrogen_Atom_Count	11
208921	Tautomer_Count	1
6950	Defined_Atom_Stereo_Count	0
693315	Undefined_Bond_Stereo_Count	1
12387212	Covalent_Unit_Count	1
13810419	Structure_Complexity	161
70258	Exact_Mass	96.021129366
11542775	Hydrogen_Bond_Acceptor_Count	2
22630677	Mono_Isotopic_Weight	107.048347172
53145	Non-hydrogen_Atom_Count	6
439501	Exact_Mass	584.28327683
53708930	Covalent_Unit_Count	1
162342152	Hydrogen_Bond_Acceptor_Count	2
6604189	Exact_Mass	556.39885615
8241	Defined_Bond_Stereo_Count	0
61691030	Rotatable_Bond_Count	2
77881	Exact_Mass	238.75296
92666	XLogP3-AA	1.6
21868890	XLogP3-AA	1.4
89976630	Exact_Mass	107.037113783
11137101	Exact_Mass	99.068413911
633	Rotatable_Bond_Count	23
1308	Molecular_Weight	352.4
6452300	Hydrogen_Bond_Acceptor_Count	3
72158	Undefined_Atom_Stereo_Count	1
95883	TPSA	101
4955	Undefined_Bond_Stereo_Count	2
556498	Mono_Isotopic_Weight	176.120115130
43708	Non-hydrogen_Atom_Count	34
139449	Molecular_Weight	94.15
59059060	Defined_Atom_Stereo_Count	0
22753607	Rotatable_Bond_Count	1
322148	Covalent_Unit_Count	1
4059	Covalent_Unit_Count	1
135409474	Covalent_Unit_Count	1
7284	Exact_Mass	86.073164938
57156265	Defined_Bond_Stereo_Count	0
66	Molecular_Weight	163.00
2239	Covalent_Unit_Count	1
92277	Undefined_Bond_Stereo_Count	0
130002904	Hydrogen_Bond_Acceptor_Count	2
71681471	Undefined_Bond_Stereo_Count	0
57406720	Undefined_Atom_Stereo_Count	1
73553786	Defined_Atom_Stereo_Count	0
48104	Total_Formal_Charge	0
5280453	Undefined_Atom_Stereo_Count	0
76963096	Mono_Isotopic_Weight	488.10733165
89590	Rotatable_Bond_Count	3
5360696	Undefined_Bond_Stereo_Count	0
18467387	Hydrogen_Bond_Donor_Count	2
138673	XLogP3-AA	1.5
1282	Rotatable_Bond_Count	3
37270	Hydrogen_Bond_Donor_Count	0
9975270	Isotope_Atom_Count	0
4199	Covalent_Unit_Count	1
94280	Non-hydrogen_Atom_Count	22
14069226	Molecular_Weight	104.11
5280649	Mono_Isotopic_Weight	144.102453689
22805729	Molecular_Weight	464.5
3081364	Total_Formal_Charge	0
28467	Non-hydrogen_Atom_Count	16
89859387	Non-hydrogen_Atom_Count	8
693050	Undefined_Bond_Stereo_Count	0
54152819	Molecular_Weight	109.09
2725022	Structure_Complexity	339
18471709	Rotatable_Bond_Count	3
26033	Undefined_Bond_Stereo_Count	0
208916	Structure_Complexity	153
21067	Isotope_Atom_Count	0
170944	Undefined_Atom_Stereo_Count	0
123209	Molecular_Weight	140.14
398116	Isotope_Atom_Count	0
65079	Rotatable_Bond_Count	12
54515893	Structure_Complexity	118
78002	Isotope_Atom_Count	0
73820465	Undefined_Atom_Stereo_Count	7
123670820	Non-hydrogen_Atom_Count	23
16217535	Hydrogen_Bond_Acceptor_Count	11
273577	Structure_Complexity	272
90761	Undefined_Bond_Stereo_Count	0
10931233	Isotope_Atom_Count	0
79059	Defined_Atom_Stereo_Count	0
20448997	Hydrogen_Bond_Acceptor_Count	3
14671573	Structure_Complexity	70.8
48920	Undefined_Atom_Stereo_Count	0
11550045	Undefined_Atom_Stereo_Count	1
13065	Hydrogen_Bond_Acceptor_Count	0
11446305	Structure_Complexity	113
17820197	Hydrogen_Bond_Donor_Count	0
25137911	TPSA	20.1
11457683	Exact_Mass	116.083729621
17043	Total_Formal_Charge	0
439504	Mono_Isotopic_Weight	915.51914999
8791	TPSA	26.3
140377273	Structure_Complexity	72.9
4789	Undefined_Bond_Stereo_Count	0
67713	Rotatable_Bond_Count	1
25058199	Exact_Mass	473.12567125
124069	Total_Formal_Charge	0
447021	XLogP3-AA	2.4
21824034	Hydrogen_Bond_Acceptor_Count	2
54250649	Exact_Mass	111.068413911
9798	XLogP3-AA	8
88153938	Structure_Complexity	93.1
4004	Isotope_Atom_Count	0
12295224	Hydrogen_Bond_Donor_Count	1
18171	Total_Formal_Charge	0
19077516	Molecular_Weight	430.9
68890	Rotatable_Bond_Count	5
14341511	Non-hydrogen_Atom_Count	8
91505	Undefined_Atom_Stereo_Count	1
11581936	Defined_Atom_Stereo_Count	0
642325	Defined_Bond_Stereo_Count	0
5284553	Undefined_Bond_Stereo_Count	0
149026	Structure_Complexity	152
61055	Molecular_Weight	144.21
14660056	Molecular_Weight	102.13
138756126	Undefined_Atom_Stereo_Count	6
21624254	Hydrogen_Bond_Acceptor_Count	2
692159	Molecular_Weight	338.2
10920483	TPSA	43.4
21817602	Isotope_Atom_Count	0
65947	Exact_Mass	461.10568470
64964	Total_Formal_Charge	0
14022499	TPSA	50.5
44229138	Hydrogen_Bond_Acceptor_Count	3
16129878	Hydrogen_Bond_Acceptor_Count	46
87386545	Defined_Atom_Stereo_Count	0
62870	Molecular_Weight	384.5
17799404	Defined_Bond_Stereo_Count	0
21617086	Exact_Mass	113.047678466
8011	Undefined_Atom_Stereo_Count	0
24848343	Structure_Complexity	289
3086618	Rotatable_Bond_Count	7
10197643	Hydrogen_Bond_Donor_Count	2
413520	TPSA	3.9
11837140	XLogP3-AA	1.9
24961094	TPSA	103
154825229	Molecular_Weight	218.33
1078	Tautomer_Count	3
23691029	Non-hydrogen_Atom_Count	16
5252481	Total_Formal_Charge	0
90990	Hydrogen_Bond_Donor_Count	0
9825084	Exact_Mass	452.10176275
15432	TPSA	159
7155	Structure_Complexity	242
520802	Tautomer_Count	1
10219674	Defined_Atom_Stereo_Count	4
53778	Exact_Mass	365.1636826
6957671	Covalent_Unit_Count	1
42231	Tautomer_Count	4
28292	Structure_Complexity	276
15790	Isotope_Atom_Count	0
71441408	Total_Formal_Charge	0
68809	Defined_Atom_Stereo_Count	0
29746	Molecular_Weight	182.30
19406	Undefined_Bond_Stereo_Count	0
20387220	Hydrogen_Bond_Acceptor_Count	1
688363	Structure_Complexity	276
16005262	Isotope_Atom_Count	0
70957	Defined_Bond_Stereo_Count	0
6433288	Undefined_Atom_Stereo_Count	0
35020890	Molecular_Weight	334.4
47750	Hydrogen_Bond_Acceptor_Count	6
63963	Covalent_Unit_Count	1
22078	Exact_Mass	199.0400063
21058180	Undefined_Bond_Stereo_Count	0
964856	Rotatable_Bond_Count	3
2763	Structure_Complexity	333
121599	Molecular_Weight	100.12
12432039	Mono_Isotopic_Weight	82.053098200
14184	Molecular_Weight	345.9
24840945	Non-hydrogen_Atom_Count	9
6917874	Structure_Complexity	1600
71459762	Isotope_Atom_Count	0
12865	Hydrogen_Bond_Acceptor_Count	2
101307877	Undefined_Bond_Stereo_Count	0
92546	Covalent_Unit_Count	1
35492	Isotope_Atom_Count	0
46227489	Molecular_Weight	460.5
30930	Undefined_Atom_Stereo_Count	0
543112	Isotope_Atom_Count	0
32798	Rotatable_Bond_Count	5
44925	Exact_Mass	341.1995809
3271820	Defined_Bond_Stereo_Count	0
11510	Hydrogen_Bond_Donor_Count	2
11970	Mono_Isotopic_Weight	152.047344113
2455	Defined_Atom_Stereo_Count	0
145705978	Undefined_Bond_Stereo_Count	0
115260	Undefined_Atom_Stereo_Count	0
135491728	Exact_Mass	359.1321926
44412343	Non-hydrogen_Atom_Count	25
76223445	Molecular_Weight	81.12
30744	Hydrogen_Bond_Acceptor_Count	5
722799	Undefined_Atom_Stereo_Count	0
1897	Isotope_Atom_Count	0
81902	Hydrogen_Bond_Acceptor_Count	1
261555	Mono_Isotopic_Weight	444.36034539
441335	Mono_Isotopic_Weight	426.1364648
13032	Structure_Complexity	82.7
71674	XLogP3-AA	0.6
11512	Molecular_Weight	114.23
11550004	Defined_Atom_Stereo_Count	0
9888075	Covalent_Unit_Count	2
115763542	Undefined_Bond_Stereo_Count	0
15690647	Undefined_Atom_Stereo_Count	0
11397521	Tautomer_Count	7
6561	Hydrogen_Bond_Acceptor_Count	1
6918446	Structure_Complexity	560
75673	Exact_Mass	265.22664588
1146	Undefined_Bond_Stereo_Count	0
54285963	Undefined_Atom_Stereo_Count	0
542152	Rotatable_Bond_Count	2
54567078	Undefined_Bond_Stereo_Count	0
13651872	Hydrogen_Bond_Acceptor_Count	2
1268185	Hydrogen_Bond_Acceptor_Count	3
5702044	Non-hydrogen_Atom_Count	40
2775510	Defined_Bond_Stereo_Count	0
12971800	Molecular_Weight	598.6
807	TPSA	0
51346588	Rotatable_Bond_Count	0
19607	Hydrogen_Bond_Acceptor_Count	5
45116609	Molecular_Weight	101.15
24290	Undefined_Atom_Stereo_Count	0
6971127	Molecular_Weight	128.21
96402	Molecular_Weight	279.2
10357919	Hydrogen_Bond_Donor_Count	1
86764	Hydrogen_Bond_Donor_Count	0
54081	Rotatable_Bond_Count	12
6438394	Isotope_Atom_Count	0
118142807	Mono_Isotopic_Weight	126.042927438
88091	TPSA	20.2
53717135	XLogP3-AA	2.1
8593	Defined_Bond_Stereo_Count	0
18381	Hydrogen_Bond_Acceptor_Count	7
149784	XLogP3	2.6
554	Isotope_Atom_Count	0
30630	Undefined_Atom_Stereo_Count	0
4217966	TPSA	69.1
10176113	Exact_Mass	110.084398327
86054107	XLogP3-AA	4.5
23349319	Non-hydrogen_Atom_Count	8
57474	Defined_Bond_Stereo_Count	0
22082536	Total_Formal_Charge	0
71679077	Undefined_Bond_Stereo_Count	0
11992	Molecular_Weight	172.02
135444498	Molecular_Weight	152.19
129720561	Structure_Complexity	102
51200	Rotatable_Bond_Count	3
19547	Defined_Bond_Stereo_Count	0
136892	Covalent_Unit_Count	1
5741	Mono_Isotopic_Weight	415.1914215
18053	Defined_Atom_Stereo_Count	0
71309129	Rotatable_Bond_Count	1
115234	Molecular_Weight	500.8
60196407	Total_Formal_Charge	0
64914374	Mono_Isotopic_Weight	112.088815002
81829	Covalent_Unit_Count	1
445621	Isotope_Atom_Count	0
57750407	Exact_Mass	495.2513364
23667303	Structure_Complexity	736
6440180	Tautomer_Count	1
12892785	Covalent_Unit_Count	1
667	Hydrogen_Bond_Donor_Count	11
5458585	Rotatable_Bond_Count	15
5282109	Undefined_Bond_Stereo_Count	0
130845868	Structure_Complexity	96.7
88715	Covalent_Unit_Count	1
119195	Hydrogen_Bond_Donor_Count	1
1064	Non-hydrogen_Atom_Count	13
75800	Hydrogen_Bond_Acceptor_Count	3
10132	Undefined_Bond_Stereo_Count	0
40430269	Exact_Mass	345.18143228
23121765	Defined_Atom_Stereo_Count	0
46451	TPSA	30.5
83295	Structure_Complexity	375
22280261	Rotatable_Bond_Count	1
5281609	Total_Formal_Charge	0
25353	Defined_Bond_Stereo_Count	0
6918473	Exact_Mass	1163.56062088
53815669	Non-hydrogen_Atom_Count	7
6419984	Defined_Atom_Stereo_Count	2
133679779	Molecular_Weight	114.19
59888749	Undefined_Bond_Stereo_Count	0
55414	Undefined_Bond_Stereo_Count	0
6068	Hydrogen_Bond_Acceptor_Count	2
6180	TPSA	91.7
4356	Defined_Bond_Stereo_Count	0
99905	Total_Formal_Charge	0
15463	Undefined_Atom_Stereo_Count	0
56677275	Isotope_Atom_Count	0
308140	Undefined_Atom_Stereo_Count	0
86007746	TPSA	46.6
71453618	Exact_Mass	392.0927701
108835	Rotatable_Bond_Count	3
40903	Hydrogen_Bond_Donor_Count	0
6951123	Covalent_Unit_Count	1
57572	Undefined_Bond_Stereo_Count	0
10964334	Hydrogen_Bond_Donor_Count	8
23488	Undefined_Bond_Stereo_Count	0
12082259	Undefined_Bond_Stereo_Count	0
16844	Exact_Mass	149.0607417
66599	Hydrogen_Bond_Donor_Count	3
29681	Hydrogen_Bond_Acceptor_Count	4
11281011	Undefined_Bond_Stereo_Count	0
45486168	Defined_Bond_Stereo_Count	0
65389	Undefined_Atom_Stereo_Count	0
54130	Covalent_Unit_Count	1
909750	Structure_Complexity	528
33309	Isotope_Atom_Count	0
134688669	Exact_Mass	628.26723285
79510	Mono_Isotopic_Weight	156.02834000
33557	Defined_Bond_Stereo_Count	0
6852167	TPSA	145
443118	Covalent_Unit_Count	1
129628421	Rotatable_Bond_Count	16
142657543	XLogP3-AA	0.6
77676	Molecular_Weight	136.17
197160	Molecular_Weight	338.66
4302	Mono_Isotopic_Weight	233.03242232
9966051	Molecular_Weight	298.4
62010	Mono_Isotopic_Weight	101.084063974
6917789	Isotope_Atom_Count	0
23702994	Molecular_Weight	719.7
9963430	Covalent_Unit_Count	1
123776311	Covalent_Unit_Count	1
10477191	Defined_Bond_Stereo_Count	0
136437	Non-hydrogen_Atom_Count	4
21226398	Non-hydrogen_Atom_Count	7
763185	Total_Formal_Charge	0
11585872	Undefined_Bond_Stereo_Count	0
196330	Undefined_Bond_Stereo_Count	0
76223700	Hydrogen_Bond_Donor_Count	1
59296066	Isotope_Atom_Count	0
68682	Non-hydrogen_Atom_Count	38
107971	Hydrogen_Bond_Donor_Count	5
102515495	Hydrogen_Bond_Acceptor_Count	6
1548885	TPSA	73.6
17948845	Hydrogen_Bond_Acceptor_Count	3
133550157	TPSA	195
642765	Non-hydrogen_Atom_Count	8
59116084	Molecular_Weight	178.18
154655788	Structure_Complexity	103
15677238	Total_Formal_Charge	0
8408	Undefined_Bond_Stereo_Count	0
60148392	Mono_Isotopic_Weight	403.09397682
64107	Tautomer_Count	8
132274667	Undefined_Atom_Stereo_Count	1
10429739	XLogP3-AA	3.9
5047209	Rotatable_Bond_Count	0
108078	XLogP3	5
12357829	Rotatable_Bond_Count	0
86439	Undefined_Atom_Stereo_Count	0
90983133	Structure_Complexity	77.2
71245	Undefined_Atom_Stereo_Count	0
85945	Non-hydrogen_Atom_Count	11
14546681	Defined_Atom_Stereo_Count	0
7090	Total_Formal_Charge	0
53319118	Exact_Mass	521.25258584
60810	Exact_Mass	475.20936192
8923	Tautomer_Count	1
11560	Exact_Mass	169.97311
12247338	Isotope_Atom_Count	0
17860	Undefined_Atom_Stereo_Count	0
548769	Structure_Complexity	172
12359154	Defined_Bond_Stereo_Count	0
651092	Hydrogen_Bond_Acceptor_Count	7
996	Structure_Complexity	46.1
53835225	XLogP3-AA	1.4
164826	Defined_Bond_Stereo_Count	0
221	TPSA	177
112711235	Structure_Complexity	77.7
19693843	Defined_Atom_Stereo_Count	0
9954082	Mono_Isotopic_Weight	423.2904073
19851629	Undefined_Atom_Stereo_Count	0
66708	TPSA	26.3
19743370	Mono_Isotopic_Weight	116.083729621
50988819	Hydrogen_Bond_Donor_Count	0
2762838	TPSA	12.9
6400	Defined_Atom_Stereo_Count	0
4181	Defined_Atom_Stereo_Count	0
274426	Total_Formal_Charge	0
13132266	Defined_Bond_Stereo_Count	0
139030973	Covalent_Unit_Count	3
70719	Defined_Bond_Stereo_Count	0
21975	Undefined_Bond_Stereo_Count	0
44521017	Defined_Atom_Stereo_Count	0
13653621	TPSA	81
5464110	Covalent_Unit_Count	2
3047	Rotatable_Bond_Count	6
448055	Undefined_Atom_Stereo_Count	0
1745	Structure_Complexity	57.7
266052	Total_Formal_Charge	0
448400	Molecular_Weight	248.11
22812625	Hydrogen_Bond_Donor_Count	4
72200226	Covalent_Unit_Count	1
9561131	Molecular_Weight	170.18
59896759	Undefined_Bond_Stereo_Count	0
191101	Defined_Bond_Stereo_Count	0
8761	Undefined_Atom_Stereo_Count	0
8843	Mono_Isotopic_Weight	152.120115130
3036261	Non-hydrogen_Atom_Count	14
104865	Exact_Mass	551.18385484
130113566	Defined_Atom_Stereo_Count	0
10953	Mono_Isotopic_Weight	100.052429494
10270986	Hydrogen_Bond_Acceptor_Count	8
23305495	Hydrogen_Bond_Donor_Count	7
130224237	Covalent_Unit_Count	1
50293	Mono_Isotopic_Weight	228.901960
3375	Molecular_Weight	410.5
17835	Structure_Complexity	66.4
25208	Undefined_Atom_Stereo_Count	2
37243	Isotope_Atom_Count	0
16258	Exact_Mass	163.026943022
11693521	TPSA	172
9689	XLogP3-AA	2.8
5003096	Rotatable_Bond_Count	3
11452716	Structure_Complexity	683
11503827	Rotatable_Bond_Count	5
11326613	Defined_Atom_Stereo_Count	0
71916	Hydrogen_Bond_Acceptor_Count	4
13834698	Undefined_Bond_Stereo_Count	0
4357	Exact_Mass	344.03856
91580832	TPSA	58.6
69994	Total_Formal_Charge	0
11360614	Covalent_Unit_Count	1
24771777	Hydrogen_Bond_Donor_Count	1
140809	Non-hydrogen_Atom_Count	7
25512	Non-hydrogen_Atom_Count	6
5311201	Defined_Bond_Stereo_Count	0
23693089	Hydrogen_Bond_Donor_Count	4
238288	Defined_Atom_Stereo_Count	0
85904477	Total_Formal_Charge	0
7470	Non-hydrogen_Atom_Count	10
541384	Defined_Bond_Stereo_Count	0
139024314	Covalent_Unit_Count	1
70801	TPSA	43.8
11908490	Undefined_Atom_Stereo_Count	0
129803162	Defined_Atom_Stereo_Count	0
439306	Undefined_Atom_Stereo_Count	3
72114	Isotope_Atom_Count	0
31204	Covalent_Unit_Count	2
129905275	Hydrogen_Bond_Acceptor_Count	8
71306404	Structure_Complexity	14000
5235	Rotatable_Bond_Count	0
6947362	Total_Formal_Charge	0
57565875	Non-hydrogen_Atom_Count	7
107973	Rotatable_Bond_Count	5
16219567	Non-hydrogen_Atom_Count	23
11516136	TPSA	64.6
527855	Isotope_Atom_Count	0
107949	Isotope_Atom_Count	0
5320547	Mono_Isotopic_Weight	296.307915895
54007	Defined_Bond_Stereo_Count	0
10038849	TPSA	23.5
85491	Hydrogen_Bond_Donor_Count	1
60196270	Undefined_Atom_Stereo_Count	0
694983	Hydrogen_Bond_Acceptor_Count	5
39418872	Hydrogen_Bond_Donor_Count	2
63134	XLogP3	2.4
20297542	Undefined_Atom_Stereo_Count	0
13465027	Hydrogen_Bond_Acceptor_Count	2
34072	Molecular_Weight	114.19
54760133	Hydrogen_Bond_Acceptor_Count	7
122	Isotope_Atom_Count	0
10043211	XLogP3-AA	5.2
52940549	Undefined_Atom_Stereo_Count	0
21613900	Covalent_Unit_Count	1
70381	Defined_Atom_Stereo_Count	0
135398653	Mono_Isotopic_Weight	239.10183929
2778763	Defined_Bond_Stereo_Count	0
5469318	Covalent_Unit_Count	1
36273	Mono_Isotopic_Weight	325.14601278
37239	Total_Formal_Charge	1
24848483	Molecular_Weight	497.9
533728	Hydrogen_Bond_Acceptor_Count	2
26130	Rotatable_Bond_Count	1
137699683	Undefined_Bond_Stereo_Count	0
16760287	Defined_Bond_Stereo_Count	0
894278	Covalent_Unit_Count	1
3514	Non-hydrogen_Atom_Count	22
54303301	Exact_Mass	96.093900383
101938021	Defined_Bond_Stereo_Count	0
58962911	Exact_Mass	463.0636514
15026073	TPSA	30.8
83864197	Non-hydrogen_Atom_Count	8
91097771	Molecular_Weight	1202.6
71451929	Covalent_Unit_Count	1
3507056	Exact_Mass	833.6394
123935295	Structure_Complexity	98.5
11804893	Undefined_Atom_Stereo_Count	0
21805682	Hydrogen_Bond_Acceptor_Count	2
354	Structure_Complexity	228
123672484	Molecular_Weight	115.17
62425	Covalent_Unit_Count	3
136459	Rotatable_Bond_Count	0
53904133	Total_Formal_Charge	0
574450	Covalent_Unit_Count	1
6538982	Rotatable_Bond_Count	11
19933	Structure_Complexity	238
56840960	Hydrogen_Bond_Donor_Count	2
60155182	Structure_Complexity	676
119259	Hydrogen_Bond_Donor_Count	3
85307823	Total_Formal_Charge	0
121207396	Structure_Complexity	134
18636	Tautomer_Count	1
122198135	Total_Formal_Charge	0
128600	Isotope_Atom_Count	0
447587	TPSA	21.2
124159	Defined_Atom_Stereo_Count	0
7265	Hydrogen_Bond_Donor_Count	2
71782	Defined_Bond_Stereo_Count	0
94744	TPSA	63.3
14200855	Defined_Bond_Stereo_Count	0
5360315	Hydrogen_Bond_Donor_Count	0
21124737	Non-hydrogen_Atom_Count	27
108218	Rotatable_Bond_Count	5
130802	Non-hydrogen_Atom_Count	13
18997160	Exact_Mass	115.063328530
123964	Tautomer_Count	32
2209	Rotatable_Bond_Count	1
60196391	Defined_Bond_Stereo_Count	0
2578	Rotatable_Bond_Count	4
13379559	Defined_Atom_Stereo_Count	0
11018	Non-hydrogen_Atom_Count	25
643327	Total_Formal_Charge	0
102198498	Structure_Complexity	1560
62425	Hydrogen_Bond_Donor_Count	0
57637187	Total_Formal_Charge	0
69260851	TPSA	53
7029	Structure_Complexity	193
64033	TPSA	59.4
102171995	Structure_Complexity	385
5281116	Isotope_Atom_Count	0
6618	Covalent_Unit_Count	1
135398515	Hydrogen_Bond_Donor_Count	1
57395178	Defined_Atom_Stereo_Count	0
1548972	Structure_Complexity	590
90200	Mono_Isotopic_Weight	543.92954
638759	Defined_Atom_Stereo_Count	0
7142	XLogP3-AA	7.5
2132	Structure_Complexity	259
53683458	Non-hydrogen_Atom_Count	7
12084878	Hydrogen_Bond_Donor_Count	0
101711052	Defined_Atom_Stereo_Count	5
520362	XLogP3-AA	2.6
558502	Hydrogen_Bond_Donor_Count	1
11399764	Covalent_Unit_Count	1
694728	XLogP3	3
51402807	Non-hydrogen_Atom_Count	33
643221	Defined_Bond_Stereo_Count	0
5326976	Hydrogen_Bond_Donor_Count	1
54605501	TPSA	138
827902	Hydrogen_Bond_Acceptor_Count	3
132275556	Covalent_Unit_Count	1
639662	Tautomer_Count	1
8154	Exact_Mass	319.3005780
5368010	Hydrogen_Bond_Donor_Count	0
444025	Structure_Complexity	882
92043261	Structure_Complexity	117
167195	Structure_Complexity	0
9885850	Structure_Complexity	552
579675	Tautomer_Count	10
7532	Exact_Mass	172.01941529
30781	Undefined_Atom_Stereo_Count	1
76228	Defined_Bond_Stereo_Count	0
15394	Molecular_Weight	84.12
70695760	Defined_Atom_Stereo_Count	0
1549789	Non-hydrogen_Atom_Count	18
177	TPSA	17.1
10857507	Hydrogen_Bond_Donor_Count	6
25010738	Non-hydrogen_Atom_Count	30
12103	Isotope_Atom_Count	0
11846570	Rotatable_Bond_Count	12
9826520	Undefined_Bond_Stereo_Count	0
14392758	Mono_Isotopic_Weight	344.23514488
32767	Hydrogen_Bond_Acceptor_Count	1
65601	Undefined_Atom_Stereo_Count	0
117059122	Molecular_Weight	288.31
156587369	Undefined_Bond_Stereo_Count	0
24785538	Total_Formal_Charge	0
156582420	TPSA	87
53234134	Non-hydrogen_Atom_Count	45
516892	Structure_Complexity	33.9
21894763	Covalent_Unit_Count	1
16135	Undefined_Atom_Stereo_Count	0
16050553	Non-hydrogen_Atom_Count	28
670580	Hydrogen_Bond_Donor_Count	0
70696694	Isotope_Atom_Count	0
5640	Tautomer_Count	3
454937	Undefined_Atom_Stereo_Count	1
59952	Isotope_Atom_Count	0
10256440	Non-hydrogen_Atom_Count	38
135564655	Undefined_Atom_Stereo_Count	0
11185	Defined_Atom_Stereo_Count	0
121599	Hydrogen_Bond_Donor_Count	0
5256574	Molecular_Weight	152.25
4160	Exact_Mass	302.224580195
17078	TPSA	20.2
197581	Undefined_Bond_Stereo_Count	0
69340519	XLogP3-AA	0.4
10366136	Undefined_Atom_Stereo_Count	0
3246941	Structure_Complexity	354
11488817	XLogP3-AA	2.7
46853632	Isotope_Atom_Count	0
4498	Hydrogen_Bond_Donor_Count	2
118208260	Rotatable_Bond_Count	2
26462	TPSA	29.5
20087060	Defined_Bond_Stereo_Count	0
440946	Exact_Mass	504.16903493
2793757	Defined_Atom_Stereo_Count	0
58152970	Hydrogen_Bond_Donor_Count	0
146159982	Undefined_Bond_Stereo_Count	0
86446	Hydrogen_Bond_Donor_Count	0
55290887	Structure_Complexity	94
12934018	Covalent_Unit_Count	1
11681588	Undefined_Atom_Stereo_Count	0
11597936	Hydrogen_Bond_Acceptor_Count	7
3459	Molecular_Weight	400.6
10024	Mono_Isotopic_Weight	104.083729621
38439	Undefined_Atom_Stereo_Count	0
78557	Covalent_Unit_Count	1
54676228	Molecular_Weight	331.3
12523	Undefined_Atom_Stereo_Count	3
449293	Total_Formal_Charge	0
80467969	TPSA	20.2
62015	Hydrogen_Bond_Donor_Count	0
87079617	Rotatable_Bond_Count	3
58488970	Rotatable_Bond_Count	0
5354043	Hydrogen_Bond_Acceptor_Count	1
135445969	Isotope_Atom_Count	0
3733	TPSA	154
94396	Undefined_Bond_Stereo_Count	1
135923569	Hydrogen_Bond_Acceptor_Count	4
44563178	XLogP3-AA	2.9
9226	Covalent_Unit_Count	1
71988	Molecular_Weight	344.5
15273919	Structure_Complexity	80.1
61235	Covalent_Unit_Count	1
11182575	Non-hydrogen_Atom_Count	7
11305985	Isotope_Atom_Count	0
58737	Hydrogen_Bond_Acceptor_Count	2
71622657	Exact_Mass	304.157563266
6951525	Undefined_Atom_Stereo_Count	0
19935256	Exact_Mass	99.043261792
148673	Structure_Complexity	601
53486260	Rotatable_Bond_Count	8
28540	Tautomer_Count	3
71727581	Molecular_Weight	440.9
6538985	Undefined_Bond_Stereo_Count	0
8110	Defined_Bond_Stereo_Count	0
185902	Non-hydrogen_Atom_Count	27
11314197	Hydrogen_Bond_Donor_Count	1
72196	Mono_Isotopic_Weight	532.16615634
9870652	Hydrogen_Bond_Acceptor_Count	6
118701745	XLogP3-AA	4.2
705497	Defined_Atom_Stereo_Count	0
12512794	Molecular_Weight	94.15
6918457	XLogP3-AA	3.2
16738927	Defined_Bond_Stereo_Count	0
44214615	Mono_Isotopic_Weight	229.0173527
24586	TPSA	88.6
5890	TPSA	415
133952	Undefined_Atom_Stereo_Count	2
13718	Mono_Isotopic_Weight	221.141578849
696	Undefined_Bond_Stereo_Count	0
581206	Exact_Mass	170.130679813
216287	Total_Formal_Charge	0
11584	Rotatable_Bond_Count	3
8593	Isotope_Atom_Count	0
13418386	Mono_Isotopic_Weight	112.100048391
105104	Covalent_Unit_Count	1
90818	Tautomer_Count	1
13968540	Rotatable_Bond_Count	3
68953	Defined_Bond_Stereo_Count	0
46195832	Exact_Mass	752.1575354
22136196	Exact_Mass	114.00654193
2318095	Hydrogen_Bond_Acceptor_Count	3
317459	Hydrogen_Bond_Acceptor_Count	1
140112497	Covalent_Unit_Count	1
133665799	Covalent_Unit_Count	1
2762834	Defined_Bond_Stereo_Count	0
11966124	Rotatable_Bond_Count	32
5364495	Hydrogen_Bond_Acceptor_Count	1
36547	Mono_Isotopic_Weight	270.08920892
91758680	Defined_Bond_Stereo_Count	0
650960	Undefined_Bond_Stereo_Count	0
2733	Molecular_Weight	169.56
140203	TPSA	44.2
31373	Defined_Atom_Stereo_Count	0
139088888	Molecular_Weight	921.0
135398595	Defined_Atom_Stereo_Count	3
7095	Structure_Complexity	100
76658	TPSA	66.8
30190	Exact_Mass	414.161979940
2228691	Defined_Atom_Stereo_Count	0
9918460	Undefined_Bond_Stereo_Count	0
11454	Defined_Bond_Stereo_Count	0
305560	TPSA	41.6
69095	TPSA	111
62371	Mono_Isotopic_Weight	266.0429505
19494	Structure_Complexity	84.1
2218	Tautomer_Count	3
637939	Molecular_Weight	98.14
131170	Isotope_Atom_Count	0
54435026	TPSA	29.5
84693	Covalent_Unit_Count	1
4838	Tautomer_Count	1
130659	Undefined_Atom_Stereo_Count	0
7	Mono_Isotopic_Weight	163.08579531
11908488	Molecular_Weight	342.30
44134949	Undefined_Bond_Stereo_Count	0
91759533	Isotope_Atom_Count	0
6327132	Hydrogen_Bond_Donor_Count	0
90657341	XLogP3	0.6
72941779	Defined_Atom_Stereo_Count	0
2733	XLogP3	1.8
3035914	Exact_Mass	258.15929460
751496	Exact_Mass	334.13511374
2762892	Non-hydrogen_Atom_Count	8
119835	Undefined_Atom_Stereo_Count	5
626738	Rotatable_Bond_Count	5
100308	Molecular_Weight	338.98
9830667	Hydrogen_Bond_Donor_Count	3
604519	Covalent_Unit_Count	1
66536	Isotope_Atom_Count	0
4369414	Non-hydrogen_Atom_Count	27
21414	Defined_Atom_Stereo_Count	0
91021644	Total_Formal_Charge	0
57557625	Defined_Bond_Stereo_Count	5
2909	Undefined_Bond_Stereo_Count	1
8103	Tautomer_Count	1
65589	Molecular_Weight	296.4
51931	TPSA	52.3
146159824	Mono_Isotopic_Weight	284.16237386
6409631	Defined_Bond_Stereo_Count	0
54740489	Molecular_Weight	390.31
23777801	Tautomer_Count	1
9353	Hydrogen_Bond_Donor_Count	2
403832	XLogP3-AA	7
6102852	Mono_Isotopic_Weight	605.13321
61850	Total_Formal_Charge	0
10724	Rotatable_Bond_Count	0
6992027	Mono_Isotopic_Weight	433.21138974
9921294	Mono_Isotopic_Weight	252.1029409
13138140	Mono_Isotopic_Weight	612.07668989
123415454	Total_Formal_Charge	0
10991161	Isotope_Atom_Count	0
135451156	Mono_Isotopic_Weight	245.09127461
31781	Exact_Mass	424.15557440
137859	Undefined_Atom_Stereo_Count	0
92211533	Non-hydrogen_Atom_Count	25
15942890	Undefined_Bond_Stereo_Count	0
3035406	Rotatable_Bond_Count	23
316177	Mono_Isotopic_Weight	200.083729621
11332423	Defined_Atom_Stereo_Count	0
68869	Covalent_Unit_Count	1
47466	XLogP3-AA	4.3
21991095	XLogP3-AA	0.7
16734	Tautomer_Count	1
12678417	Rotatable_Bond_Count	1
58531	Total_Formal_Charge	0
43262	Undefined_Atom_Stereo_Count	1
543069	Total_Formal_Charge	0
137138801	Isotope_Atom_Count	0
77990	Molecular_Weight	400.4
148763531	Defined_Atom_Stereo_Count	0
14818493	XLogP3-AA	0.9
90181814	Covalent_Unit_Count	1
2890	Total_Formal_Charge	0
56036	Tautomer_Count	10
71750923	Isotope_Atom_Count	0
56668819	Hydrogen_Bond_Donor_Count	1
98148766	Total_Formal_Charge	0
67030919	Undefined_Atom_Stereo_Count	0
24848367	Defined_Atom_Stereo_Count	0
3611392	Defined_Atom_Stereo_Count	0
22058225	Isotope_Atom_Count	0
14012	Hydrogen_Bond_Acceptor_Count	6
443753	TPSA	219
44561	Rotatable_Bond_Count	0
9795	Molecular_Weight	191.11
33630	Non-hydrogen_Atom_Count	36
87412180	Molecular_Weight	284.35
398513	Defined_Bond_Stereo_Count	0
6672	Isotope_Atom_Count	0
8477	TPSA	100
13652	Undefined_Atom_Stereo_Count	0
8633	Total_Formal_Charge	0
37873	Molecular_Weight	88.06
2167092	Tautomer_Count	1
3780	Hydrogen_Bond_Acceptor_Count	8
5459319	Defined_Atom_Stereo_Count	3
20729555	Undefined_Atom_Stereo_Count	0
62453	Rotatable_Bond_Count	1
25010556	Covalent_Unit_Count	1
135398745	XLogP3-AA	2.9
25793	Covalent_Unit_Count	1
56338	Structure_Complexity	536
25006687	Molecular_Weight	393.5
123643945	Hydrogen_Bond_Donor_Count	0
23199087	Mono_Isotopic_Weight	92.037448136
53895	Defined_Atom_Stereo_Count	0
71500036	Structure_Complexity	395
16050932	Rotatable_Bond_Count	4
129700770	Exact_Mass	324.183778013
55329	Mono_Isotopic_Weight	263.17461031
52942108	Total_Formal_Charge	0
16736529	Defined_Bond_Stereo_Count	0
441	Hydrogen_Bond_Acceptor_Count	3
126514322	Hydrogen_Bond_Donor_Count	1
133121364	Mono_Isotopic_Weight	181.06674293
11154711	Total_Formal_Charge	0
71219	Isotope_Atom_Count	0
6427097	Total_Formal_Charge	0
87595695	Non-hydrogen_Atom_Count	7
13758360	Exact_Mass	112.100048391
13374861	Hydrogen_Bond_Donor_Count	1
85960	Hydrogen_Bond_Acceptor_Count	4
58645448	TPSA	20.2
21715653	Undefined_Bond_Stereo_Count	0
54539493	Structure_Complexity	115
13346655	TPSA	26.3
44454	Undefined_Bond_Stereo_Count	0
9562059	Hydrogen_Bond_Donor_Count	8
16133838	Hydrogen_Bond_Acceptor_Count	54
517232	Total_Formal_Charge	0
76049	Hydrogen_Bond_Donor_Count	0
3359	Undefined_Bond_Stereo_Count	0
62884	Non-hydrogen_Atom_Count	17
657251	Rotatable_Bond_Count	4
120508	Defined_Bond_Stereo_Count	0
4148881	Hydrogen_Bond_Acceptor_Count	1
3440	Hydrogen_Bond_Acceptor_Count	7
11549	Total_Formal_Charge	0
23995	Rotatable_Bond_Count	0
5801	Tautomer_Count	7
10161305	XLogP3-AA	3.4
25113190	Mono_Isotopic_Weight	763.08391013
599202	Hydrogen_Bond_Donor_Count	0
1429	Mono_Isotopic_Weight	280.20384475
11594	Undefined_Bond_Stereo_Count	0
852	Undefined_Atom_Stereo_Count	2
139081837	Molecular_Weight	367.4
79156	Non-hydrogen_Atom_Count	7
53364510	Undefined_Atom_Stereo_Count	1
44368	Hydrogen_Bond_Acceptor_Count	0
31369	Hydrogen_Bond_Donor_Count	0
5121	XLogP3	2.5
19878	Rotatable_Bond_Count	1
54144657	Non-hydrogen_Atom_Count	7
566455	Covalent_Unit_Count	1
12082850	Defined_Bond_Stereo_Count	1
6537490	Hydrogen_Bond_Acceptor_Count	4
5288615	XLogP3-AA	1.6
87187801	Mono_Isotopic_Weight	112.088815002
10091748	Structure_Complexity	586
909750	Undefined_Atom_Stereo_Count	0
97736	Tautomer_Count	3
121225388	Defined_Atom_Stereo_Count	12
6966	Defined_Bond_Stereo_Count	0
721456	Total_Formal_Charge	0
10486	Defined_Bond_Stereo_Count	0
336423	Exact_Mass	386.21066147
140152869	Mono_Isotopic_Weight	98.084398327
156588151	Isotope_Atom_Count	0
43231	Structure_Complexity	604
9843941	Undefined_Bond_Stereo_Count	0
20165534	Hydrogen_Bond_Donor_Count	0
13007516	Defined_Atom_Stereo_Count	0
137658	Undefined_Bond_Stereo_Count	0
131954782	Exact_Mass	1348.60159125
72871	Defined_Atom_Stereo_Count	0
637927	Rotatable_Bond_Count	2
8107	Defined_Atom_Stereo_Count	0
208922	Hydrogen_Bond_Donor_Count	0
123288617	Isotope_Atom_Count	0
49652	Non-hydrogen_Atom_Count	26
118210659	Hydrogen_Bond_Acceptor_Count	4
52931497	Hydrogen_Bond_Acceptor_Count	8
57721	Rotatable_Bond_Count	13
10398490	Isotope_Atom_Count	0
6476006	Structure_Complexity	324
141082	Hydrogen_Bond_Donor_Count	0
107715	Isotope_Atom_Count	0
50989756	Defined_Atom_Stereo_Count	0
5359620	Structure_Complexity	127
94411	Structure_Complexity	180
11497646	Isotope_Atom_Count	0
57402175	Covalent_Unit_Count	1
10342	Molecular_Weight	88.11
12385064	Hydrogen_Bond_Donor_Count	0
228506	Total_Formal_Charge	0
16958	Structure_Complexity	200
20486748	Exact_Mass	85.027611728
24825253	Total_Formal_Charge	0
46274	Hydrogen_Bond_Donor_Count	1
46244259	Total_Formal_Charge	0
40666	Tautomer_Count	1
19016756	Molecular_Weight	100.08
62343	Defined_Bond_Stereo_Count	0
543237	Total_Formal_Charge	0
992406	Non-hydrogen_Atom_Count	24
3836	Non-hydrogen_Atom_Count	31
19935266	Undefined_Bond_Stereo_Count	0
24781	Molecular_Weight	99.09
5953	Molecular_Weight	324.4
40466900	Hydrogen_Bond_Donor_Count	0
44338970	Total_Formal_Charge	0
84440	Isotope_Atom_Count	0
4162	Defined_Bond_Stereo_Count	0
4659387	Undefined_Bond_Stereo_Count	0
10028615	Mono_Isotopic_Weight	492.24243570
1570	Defined_Bond_Stereo_Count	0
14532580	Covalent_Unit_Count	1
11957526	Molecular_Weight	260.13
22062700	Defined_Bond_Stereo_Count	0
54675842	Defined_Atom_Stereo_Count	0
11594	Mono_Isotopic_Weight	114.140850574
24490	Tautomer_Count	1
15266968	Defined_Atom_Stereo_Count	0
183679	Defined_Atom_Stereo_Count	0
118701745	Structure_Complexity	1440
42761	XLogP3	3.7
1068	Defined_Atom_Stereo_Count	0
68604	Hydrogen_Bond_Donor_Count	0
12560	Undefined_Atom_Stereo_Count	0
157429	Hydrogen_Bond_Acceptor_Count	13
90297	Defined_Atom_Stereo_Count	0
133057415	Defined_Bond_Stereo_Count	0
5035	Total_Formal_Charge	0
196	Mono_Isotopic_Weight	146.05790880
636403	TPSA	118
11832956	Rotatable_Bond_Count	0
12947024	Mono_Isotopic_Weight	331.99605
11829354	XLogP3-AA	1.2
57040555	Structure_Complexity	96.4
17424	Tautomer_Count	1
11446304	Isotope_Atom_Count	0
58962911	Isotope_Atom_Count	0
21940933	Molecular_Weight	606.1
14529	TPSA	20.2
202050	XLogP3-AA	1.2
21473742	Exact_Mass	107.048347172
10898	Tautomer_Count	1
7466	Rotatable_Bond_Count	1
25622	Undefined_Bond_Stereo_Count	0
39897	TPSA	116
160458	Structure_Complexity	97.1
90693263	XLogP3-AA	1.8
71300410	Undefined_Atom_Stereo_Count	0
23688461	Rotatable_Bond_Count	0
56670170	Hydrogen_Bond_Acceptor_Count	7
20772203	Mono_Isotopic_Weight	110.048012819
6451155	Non-hydrogen_Atom_Count	22
101940	Defined_Bond_Stereo_Count	0
66586067	Covalent_Unit_Count	2
9813119	Tautomer_Count	1
395999	Defined_Bond_Stereo_Count	0
57392965	Hydrogen_Bond_Acceptor_Count	7
96380	Defined_Atom_Stereo_Count	0
179383	Defined_Atom_Stereo_Count	0
3881	Hydrogen_Bond_Acceptor_Count	4
69507	Exact_Mass	260.02971899
10509	Covalent_Unit_Count	1
12326432	Covalent_Unit_Count	1
55298881	Mono_Isotopic_Weight	101.084063974
9833937	Total_Formal_Charge	0
14187216	TPSA	83.6
68009582	Defined_Bond_Stereo_Count	0
60196364	Molecular_Weight	538.5
19787449	Covalent_Unit_Count	1
5159	Molecular_Weight	1259.4
16049160	XLogP3-AA	2.9
527764	Defined_Atom_Stereo_Count	0
66545742	TPSA	58.7
97865	Non-hydrogen_Atom_Count	26
54136480	Exact_Mass	118.062994177
124087	Hydrogen_Bond_Donor_Count	1
8223	Total_Formal_Charge	0
9877343	Total_Formal_Charge	0
5666	Tautomer_Count	1
593369	XLogP3-AA	3.7
92163	TPSA	41.1
14690973	Hydrogen_Bond_Acceptor_Count	2
95434	Defined_Atom_Stereo_Count	0
24809526	Molecular_Weight	373.4
6918191	Mono_Isotopic_Weight	324.0890221
3300	Defined_Atom_Stereo_Count	0
49862517	Rotatable_Bond_Count	6
162883449	Defined_Atom_Stereo_Count	16
413540	Defined_Bond_Stereo_Count	0
21851	Structure_Complexity	175
11332471	Mono_Isotopic_Weight	128.04489933
6440178	Covalent_Unit_Count	1
142906448	Covalent_Unit_Count	1
67108443	Undefined_Atom_Stereo_Count	0
14425	Non-hydrogen_Atom_Count	24
85920	Defined_Bond_Stereo_Count	0
11907	Isotope_Atom_Count	0
6399650	TPSA	75.7
160765	Mono_Isotopic_Weight	120.02450067
21998678	Structure_Complexity	138
26423	Non-hydrogen_Atom_Count	18
54099616	Defined_Atom_Stereo_Count	0
135409453	TPSA	87.8
19667	Exact_Mass	256.170139325
104769	Undefined_Bond_Stereo_Count	0
21430458	Exact_Mass	117.078978594
14294904	Covalent_Unit_Count	1
138539	Structure_Complexity	46.1
11189402	Hydrogen_Bond_Donor_Count	1
7452	Defined_Bond_Stereo_Count	0
13685810	Undefined_Atom_Stereo_Count	1
9707	Isotope_Atom_Count	0
77372	Defined_Bond_Stereo_Count	0
8314	Total_Formal_Charge	0
12002	Mono_Isotopic_Weight	311.77849
5460364	Hydrogen_Bond_Donor_Count	0
38359009	Defined_Atom_Stereo_Count	6
61691030	Total_Formal_Charge	0
17963226	Covalent_Unit_Count	1
22222152	Hydrogen_Bond_Donor_Count	0
10788	Undefined_Bond_Stereo_Count	0
446611	Molecular_Weight	180.16
23939	TPSA	0
870718	Defined_Atom_Stereo_Count	1
13134	Defined_Atom_Stereo_Count	0
54084075	Defined_Bond_Stereo_Count	0
7348	Structure_Complexity	254
16684171	Non-hydrogen_Atom_Count	5
32594	TPSA	35
71208	Non-hydrogen_Atom_Count	12
24458	Total_Formal_Charge	0
137349957	Structure_Complexity	1730
165363453	Rotatable_Bond_Count	6
20592372	Non-hydrogen_Atom_Count	7
129652893	Defined_Atom_Stereo_Count	0
29691	Undefined_Atom_Stereo_Count	0
11115983	Covalent_Unit_Count	1
6451477	Exact_Mass	94.041864811
6918524	Defined_Atom_Stereo_Count	0
130664213	Undefined_Bond_Stereo_Count	0
86597	Hydrogen_Bond_Donor_Count	0
71671	Structure_Complexity	255
565574	Isotope_Atom_Count	0
5829	Molecular_Weight	102.18
57548589	Hydrogen_Bond_Acceptor_Count	0
6587	Rotatable_Bond_Count	0
13981	Defined_Atom_Stereo_Count	0
66908001	Covalent_Unit_Count	1
3033677	Exact_Mass	411.14167629
162678	Isotope_Atom_Count	0
135410875	TPSA	187
135398727	Structure_Complexity	598
10892	XLogP3	2.2
98650	Defined_Bond_Stereo_Count	0
44251266	Exact_Mass	376.22497412
156618103	Hydrogen_Bond_Donor_Count	8
102093221	Undefined_Atom_Stereo_Count	0
8673	Defined_Bond_Stereo_Count	0
45437	Total_Formal_Charge	0
2967	Undefined_Bond_Stereo_Count	0
71076901	Defined_Bond_Stereo_Count	0
5311092	Covalent_Unit_Count	1
2808	Structure_Complexity	551
45270802	Isotope_Atom_Count	0
5507	Total_Formal_Charge	0
71583603	Total_Formal_Charge	0
81530	Defined_Atom_Stereo_Count	0
121326433	Hydrogen_Bond_Donor_Count	0
2752647	Isotope_Atom_Count	0
10258659	Hydrogen_Bond_Acceptor_Count	6
11619519	Mono_Isotopic_Weight	458.0968101
10184774	Structure_Complexity	731
9821945	Hydrogen_Bond_Acceptor_Count	4
15787851	Total_Formal_Charge	0
21868057	Molecular_Weight	96.17
50633	Total_Formal_Charge	0
3036507	Hydrogen_Bond_Acceptor_Count	11
5311000	Undefined_Atom_Stereo_Count	0
226205	Covalent_Unit_Count	1
14081	Defined_Atom_Stereo_Count	0
91475	Exact_Mass	334.25079494
11030720	TPSA	63.6
137938997	TPSA	21.8
23673604	Structure_Complexity	328
534940	Mono_Isotopic_Weight	101.047678466
44629525	XLogP3-AA	5.6
6165177	XLogP3	1.7
9051	Defined_Bond_Stereo_Count	0
24182786	Non-hydrogen_Atom_Count	23
3766	TPSA	0
9819	Defined_Bond_Stereo_Count	0
138113391	Defined_Atom_Stereo_Count	7
14020446	Covalent_Unit_Count	1
6971047	Total_Formal_Charge	0
10991489	Hydrogen_Bond_Acceptor_Count	11
85456	Hydrogen_Bond_Acceptor_Count	6
494085	Isotope_Atom_Count	0
89748954	Hydrogen_Bond_Donor_Count	1
71456725	Undefined_Bond_Stereo_Count	0
8168	Isotope_Atom_Count	0
7026	Non-hydrogen_Atom_Count	19
91267	Isotope_Atom_Count	0
22015773	Undefined_Atom_Stereo_Count	0
21027022	Non-hydrogen_Atom_Count	7
6746	Total_Formal_Charge	0
9798547	TPSA	54.5
12054761	Hydrogen_Bond_Donor_Count	0
97597	Molecular_Weight	363.4
4054588	Structure_Complexity	75.6
11317883	Molecular_Weight	493.5
1479778	Exact_Mass	317.0641130
69270	Structure_Complexity	97.8
23278030	Defined_Atom_Stereo_Count	0
134436906	Mono_Isotopic_Weight	525.24883788
15174589	Covalent_Unit_Count	1
3598	Undefined_Atom_Stereo_Count	0
8443	Non-hydrogen_Atom_Count	11
69282	Mono_Isotopic_Weight	246.07145086
675	Non-hydrogen_Atom_Count	11
637997	Hydrogen_Bond_Donor_Count	1
56841794	TPSA	3160
86134	Non-hydrogen_Atom_Count	23
24967621	Exact_Mass	481.23654186
60363	Hydrogen_Bond_Donor_Count	0
13006	Hydrogen_Bond_Donor_Count	0
87518	Non-hydrogen_Atom_Count	12
83895	Hydrogen_Bond_Donor_Count	2
16131923	Undefined_Bond_Stereo_Count	0
9572720	Undefined_Atom_Stereo_Count	0
7366	Mono_Isotopic_Weight	134.109550447
87700	Hydrogen_Bond_Donor_Count	0
21312986	Mono_Isotopic_Weight	112.063662883
50312	Defined_Atom_Stereo_Count	4
22263	Defined_Bond_Stereo_Count	0
4255	Covalent_Unit_Count	1
6144	Rotatable_Bond_Count	7
12867435	Total_Formal_Charge	0
8053	Structure_Complexity	63.4
13664	Covalent_Unit_Count	1
288	TPSA	60.4
52660	Total_Formal_Charge	0
44570629	Hydrogen_Bond_Donor_Count	1
22220875	Structure_Complexity	103
16752772	Defined_Atom_Stereo_Count	0
999	Non-hydrogen_Atom_Count	10
10407447	TPSA	12.5
44454985	XLogP3-AA	2.2
127657	Defined_Atom_Stereo_Count	0
130013569	Non-hydrogen_Atom_Count	8
6409631	Isotope_Atom_Count	0
638228	Hydrogen_Bond_Donor_Count	0
10434	Covalent_Unit_Count	1
18446289	Structure_Complexity	105
127036839	Structure_Complexity	304
17040	Structure_Complexity	182
53896476	Hydrogen_Bond_Donor_Count	0
8692	Defined_Bond_Stereo_Count	0
5288453	Mono_Isotopic_Weight	488.12131415
71681318	TPSA	69.7
134056	Defined_Bond_Stereo_Count	0
78904	Non-hydrogen_Atom_Count	10
11524144	Exact_Mass	399.20591044
7018640	Mono_Isotopic_Weight	111.079647300
439201	Total_Formal_Charge	0
75690	Mono_Isotopic_Weight	254.13382109
3153	Tautomer_Count	53
21417010	Non-hydrogen_Atom_Count	8
129010082	Molecular_Weight	905.0
9883104	Structure_Complexity	270
654	Tautomer_Count	1
10202381	Exact_Mass	421.23409708
14270	Total_Formal_Charge	0
92444	Defined_Atom_Stereo_Count	2
21791633	Defined_Bond_Stereo_Count	0
47471	Total_Formal_Charge	0
80145	Undefined_Atom_Stereo_Count	0
6437356	Defined_Atom_Stereo_Count	0
446411	Molecular_Weight	414.5
11259	Hydrogen_Bond_Acceptor_Count	4
544380	Defined_Bond_Stereo_Count	0
40701	TPSA	9.2
254129	Rotatable_Bond_Count	2
20336998	Mono_Isotopic_Weight	101.120449483
156432753	Hydrogen_Bond_Donor_Count	3
13235324	Isotope_Atom_Count	0
10203245	Structure_Complexity	574
72929	Exact_Mass	136.063662883
2775941	Mono_Isotopic_Weight	363.373924508
20607916	Defined_Atom_Stereo_Count	0
18757559	Defined_Bond_Stereo_Count	0
7364	Covalent_Unit_Count	1
80530	Non-hydrogen_Atom_Count	12
3240	Undefined_Bond_Stereo_Count	0
76661607	Defined_Bond_Stereo_Count	0
93131	Defined_Atom_Stereo_Count	0
12460926	Non-hydrogen_Atom_Count	9
109318	Isotope_Atom_Count	0
9973981	Molecular_Weight	331.8
57397810	Undefined_Bond_Stereo_Count	0
59296114	Defined_Atom_Stereo_Count	1
57396887	Non-hydrogen_Atom_Count	24
21019405	Non-hydrogen_Atom_Count	8
76054	Hydrogen_Bond_Donor_Count	1
143719689	Defined_Atom_Stereo_Count	0
7568485	Total_Formal_Charge	0
359379	Undefined_Atom_Stereo_Count	0
10664	Defined_Bond_Stereo_Count	0
126961564	Covalent_Unit_Count	1
91148	Exact_Mass	168.151415257
30291	XLogP3-AA	2.5
199480	TPSA	55.8
71188	Isotope_Atom_Count	0
1437837	Total_Formal_Charge	0
465951	Hydrogen_Bond_Donor_Count	1
143780	Tautomer_Count	1
64061	Undefined_Bond_Stereo_Count	0
10435654	Non-hydrogen_Atom_Count	32
2543	Hydrogen_Bond_Acceptor_Count	2
11790	Total_Formal_Charge	0
123755	Hydrogen_Bond_Acceptor_Count	7
58438	Hydrogen_Bond_Acceptor_Count	3
260716	Defined_Bond_Stereo_Count	0
233916	Covalent_Unit_Count	1
23270069	Covalent_Unit_Count	1
3376	Molecular_Weight	494.6
57541295	Hydrogen_Bond_Donor_Count	1
54736666	Hydrogen_Bond_Acceptor_Count	18
38666	Undefined_Atom_Stereo_Count	0
34875	Defined_Bond_Stereo_Count	0
53728	Undefined_Atom_Stereo_Count	0
19736307	Non-hydrogen_Atom_Count	38
57398256	Covalent_Unit_Count	1
542556	Defined_Bond_Stereo_Count	0
67532	Hydrogen_Bond_Acceptor_Count	4
6843	Undefined_Atom_Stereo_Count	0
71807	Defined_Atom_Stereo_Count	3
7700	Non-hydrogen_Atom_Count	19
15007	Exact_Mass	250.15689456
50989726	Rotatable_Bond_Count	0
1807	Defined_Atom_Stereo_Count	0
21851	Molecular_Weight	324.8
5977	Total_Formal_Charge	0
88784945	Defined_Atom_Stereo_Count	0
102089288	Undefined_Atom_Stereo_Count	0
165141	Exact_Mass	73.052763847
159326	XLogP3-AA	4.3
5311345	TPSA	78.7
6206	Molecular_Weight	197.15
2734248	Total_Formal_Charge	0
533473	Hydrogen_Bond_Acceptor_Count	2
175945	Covalent_Unit_Count	1
3512	Covalent_Unit_Count	1
96776	Covalent_Unit_Count	1
3033767	Total_Formal_Charge	0
186148	TPSA	9.2
22836365	Covalent_Unit_Count	1
3682	Isotope_Atom_Count	0
145454105	Hydrogen_Bond_Acceptor_Count	8
12664700	Undefined_Atom_Stereo_Count	1
10251906	XLogP3-AA	3.8
213020	Undefined_Atom_Stereo_Count	0
155491161	TPSA	68.6
93251	Hydrogen_Bond_Donor_Count	0
89580	Molecular_Weight	88.11
7303	XLogP3-AA	0.3
66684386	Hydrogen_Bond_Donor_Count	1
5489029	Tautomer_Count	1
3842125	Covalent_Unit_Count	1
10369242	TPSA	147
9093	Non-hydrogen_Atom_Count	10
10901	Covalent_Unit_Count	1
10675	Isotope_Atom_Count	0
30215	Tautomer_Count	1
11635721	Molecular_Weight	596.8
6918496	Hydrogen_Bond_Acceptor_Count	3
9136	Tautomer_Count	1
123642	Tautomer_Count	1
55886	Undefined_Atom_Stereo_Count	0
10041070	Defined_Bond_Stereo_Count	0
58173	Defined_Bond_Stereo_Count	0
160280695	Defined_Atom_Stereo_Count	0
18539784	Defined_Bond_Stereo_Count	0
10047141	Hydrogen_Bond_Donor_Count	1
14872190	Defined_Bond_Stereo_Count	0
9359	Hydrogen_Bond_Acceptor_Count	0
5283742	Molecular_Weight	416.6
51635	Molecular_Weight	269.77
18048	Undefined_Atom_Stereo_Count	0
44310946	Undefined_Atom_Stereo_Count	0
166592	Defined_Bond_Stereo_Count	0
11546620	Structure_Complexity	680
92140	Structure_Complexity	1230
18698713	Total_Formal_Charge	0
11870469	Mono_Isotopic_Weight	304.15488318
140830181	Undefined_Bond_Stereo_Count	0
15327061	TPSA	40.5
10219408	Defined_Atom_Stereo_Count	0
12738	Structure_Complexity	574
5355732	Exact_Mass	81.057849228
11712071	TPSA	74.5
12625	Rotatable_Bond_Count	1
11876	Tautomer_Count	2
8368	Exact_Mass	159.9846556
88578918	Undefined_Atom_Stereo_Count	0
145971	Non-hydrogen_Atom_Count	15
11956149	TPSA	43.1
9746	Defined_Bond_Stereo_Count	0
594397	XLogP3-AA	1.6
6918543	Undefined_Atom_Stereo_Count	0
519415	Exact_Mass	146.130679813
122850	Undefined_Atom_Stereo_Count	0
1369	Structure_Complexity	439
21584661	Defined_Bond_Stereo_Count	0
20323	XLogP3-AA	1.6
87870897	Non-hydrogen_Atom_Count	8
22833295	Exact_Mass	766.30363561
15851	Isotope_Atom_Count	0
94834	Tautomer_Count	1
123348667	Non-hydrogen_Atom_Count	8
66636	Undefined_Atom_Stereo_Count	0
146356470	Hydrogen_Bond_Donor_Count	1
20206050	Hydrogen_Bond_Acceptor_Count	2
1142	Rotatable_Bond_Count	23
61810	Molecular_Weight	188.27
123678021	Defined_Atom_Stereo_Count	0
6440352	Non-hydrogen_Atom_Count	43
15113581	Exact_Mass	96.057514874
70060	Hydrogen_Bond_Donor_Count	3
18798529	Structure_Complexity	94.2
73813	Rotatable_Bond_Count	0
566545	Tautomer_Count	1
443115	TPSA	184
21070	XLogP3	7
10302451	Undefined_Bond_Stereo_Count	0
24896135	Covalent_Unit_Count	1
20725561	Molecular_Weight	401.5
11488729	Hydrogen_Bond_Donor_Count	0
12634653	Exact_Mass	80.062600255
25273215	Exact_Mass	470.2322780
86439	Mono_Isotopic_Weight	433.0539994
85689	Undefined_Atom_Stereo_Count	2
67710	Undefined_Bond_Stereo_Count	0
19843	Exact_Mass	210.136827821
153	Defined_Atom_Stereo_Count	0
12398	Covalent_Unit_Count	1
146159752	Mono_Isotopic_Weight	422.36670574
25008941	Defined_Bond_Stereo_Count	0
171227	Hydrogen_Bond_Acceptor_Count	1
22304	Structure_Complexity	308
13696436	Covalent_Unit_Count	1
3831	Undefined_Atom_Stereo_Count	5
16663248	Isotope_Atom_Count	0
102248370	Undefined_Bond_Stereo_Count	0
10986159	Exact_Mass	97.052763847
91353581	Molecular_Weight	113.11
220820	Covalent_Unit_Count	1
87089	Mono_Isotopic_Weight	290.153146591
55004	Total_Formal_Charge	0
1710	TPSA	40.5
46201499	Tautomer_Count	1
124602261	XLogP3-AA	1.5
29215	Isotope_Atom_Count	0
12734620	Undefined_Bond_Stereo_Count	0
10560336	Structure_Complexity	152
652840	Non-hydrogen_Atom_Count	30
22757346	Hydrogen_Bond_Donor_Count	0
135413505	Hydrogen_Bond_Acceptor_Count	8
9785	Tautomer_Count	10
44631912	Defined_Atom_Stereo_Count	0
41912	Defined_Bond_Stereo_Count	0
21702414	Defined_Bond_Stereo_Count	0
7851	Total_Formal_Charge	0
129815925	Exact_Mass	96.068748264
523251	Non-hydrogen_Atom_Count	8
25127621	Molecular_Weight	395.4
101001463	Structure_Complexity	688
135113	Total_Formal_Charge	0
117217480	Mono_Isotopic_Weight	114.042927438
242605	Total_Formal_Charge	0
74319	Molecular_Weight	197.23
20864	Covalent_Unit_Count	1
7342	Hydrogen_Bond_Acceptor_Count	2
32767	XLogP3-AA	3.6
122236791	Covalent_Unit_Count	2
34072	Isotope_Atom_Count	0
19101060	Undefined_Bond_Stereo_Count	0
21450	Defined_Atom_Stereo_Count	0
11142	Rotatable_Bond_Count	1
78225435	Isotope_Atom_Count	0
76326	TPSA	26.3
948323	Defined_Atom_Stereo_Count	0
642785	Exact_Mass	110.036779430
444863	Tautomer_Count	1
71392	Undefined_Bond_Stereo_Count	0
135484646	Hydrogen_Bond_Acceptor_Count	2
10947574	Hydrogen_Bond_Donor_Count	3
15123308	Non-hydrogen_Atom_Count	20
5593	Isotope_Atom_Count	0
90942134	Hydrogen_Bond_Acceptor_Count	3
11351021	Undefined_Atom_Stereo_Count	0
149519	Total_Formal_Charge	0
19040	Defined_Atom_Stereo_Count	0
9840971	Exact_Mass	342.12157168
36812	Total_Formal_Charge	0
2218	Covalent_Unit_Count	1
92174	Defined_Bond_Stereo_Count	0
71145	Undefined_Bond_Stereo_Count	0
688510	XLogP3-AA	3.1
241793	XLogP3-AA	0.5
557495	Covalent_Unit_Count	1
55293	Undefined_Atom_Stereo_Count	0
76974809	Total_Formal_Charge	0
95069	Non-hydrogen_Atom_Count	17
134715513	Exact_Mass	1000.38411307
47825	Defined_Atom_Stereo_Count	0
10256440	Structure_Complexity	951
541123	XLogP3	1.7
1212	Rotatable_Bond_Count	3
91438571	Mono_Isotopic_Weight	105.057849228
13050832	Defined_Bond_Stereo_Count	0
74405857	Mono_Isotopic_Weight	366.05554326
1087331	Defined_Bond_Stereo_Count	0
189563	Structure_Complexity	483
59295946	Hydrogen_Bond_Donor_Count	5
2792	Undefined_Atom_Stereo_Count	7
67248528	Total_Formal_Charge	0
12290	Non-hydrogen_Atom_Count	7
64644	Tautomer_Count	5
7271	Hydrogen_Bond_Donor_Count	1
58044734	Hydrogen_Bond_Acceptor_Count	2
10877079	Structure_Complexity	93.4
143694905	Non-hydrogen_Atom_Count	7
16760595	Mono_Isotopic_Weight	262.95716241
3045407	Tautomer_Count	1
10341154	Rotatable_Bond_Count	4
10307909	Structure_Complexity	219
15731	Isotope_Atom_Count	0
397	Undefined_Bond_Stereo_Count	0
2734233	Defined_Atom_Stereo_Count	0
46936613	Covalent_Unit_Count	1
40399	Structure_Complexity	349
998021	Undefined_Bond_Stereo_Count	0
67809	Defined_Bond_Stereo_Count	0
46883936	Total_Formal_Charge	0
87187299	Defined_Bond_Stereo_Count	0
102518	Hydrogen_Bond_Donor_Count	2
130054486	Defined_Bond_Stereo_Count	0
59464331	Molecular_Weight	438.5
12618	Rotatable_Bond_Count	2
9812759	TPSA	2
83535	Hydrogen_Bond_Acceptor_Count	7
101432819	Non-hydrogen_Atom_Count	9
13521834	Hydrogen_Bond_Acceptor_Count	1
171527	Exact_Mass	347.1652068
65979	TPSA	36.4
20691	Hydrogen_Bond_Acceptor_Count	1
3635	TPSA	77.9
11582982	Molecular_Weight	438.6
15567528	Undefined_Bond_Stereo_Count	0
23278143	Non-hydrogen_Atom_Count	19
7375	Defined_Bond_Stereo_Count	0
3941	Structure_Complexity	357
69016240	Defined_Bond_Stereo_Count	0
6411	TPSA	83
6456	Tautomer_Count	1
88930515	Molecular_Weight	1202.6
517957	Undefined_Bond_Stereo_Count	0
39385	Molecular_Weight	293.75
320930	Structure_Complexity	444
20684386	TPSA	20.2
91571687	Non-hydrogen_Atom_Count	7
7667	Tautomer_Count	1
5316860	Molecular_Weight	372.4
33567	Structure_Complexity	2
87595695	Rotatable_Bond_Count	3
7500	Molecular_Weight	106.16
153665501	Molecular_Weight	108.18
22476544	Undefined_Bond_Stereo_Count	0
12560816	Rotatable_Bond_Count	0
20656	Total_Formal_Charge	0
92530	Undefined_Atom_Stereo_Count	2
71587428	Covalent_Unit_Count	5
9958230	XLogP3-AA	2.4
23616669	Hydrogen_Bond_Donor_Count	1
20499147	Undefined_Atom_Stereo_Count	1
13012673	Molecular_Weight	71.08
181583	Defined_Bond_Stereo_Count	0
125037259	Isotope_Atom_Count	0
838844	XLogP3-AA	2.2
20890	Structure_Complexity	153
170295	Structure_Complexity	342
477	Hydrogen_Bond_Donor_Count	10
88959077	Structure_Complexity	122
442972	Total_Formal_Charge	0
70719	Structure_Complexity	74.9
3379942	Molecular_Weight	510.5
25144717	Defined_Bond_Stereo_Count	1
154030350	TPSA	0
2772687	TPSA	34.9
89125265	Exact_Mass	107.073499291
5327159	XLogP3-AA	3.3
6484678	Undefined_Bond_Stereo_Count	0
71578106	Covalent_Unit_Count	1
10942338	Non-hydrogen_Atom_Count	6
6540478	Hydrogen_Bond_Acceptor_Count	4
136729	Hydrogen_Bond_Donor_Count	0
37720	TPSA	356
86083878	Undefined_Bond_Stereo_Count	0
501640	Molecular_Weight	289.41
2164	TPSA	75.3
7619	Covalent_Unit_Count	1
11541511	Rotatable_Bond_Count	6
5327006	Defined_Atom_Stereo_Count	1
158294441	Hydrogen_Bond_Donor_Count	1
739	Structure_Complexity	155
123243	Molecular_Weight	76.10
2356882	Defined_Bond_Stereo_Count	0
73181638	Total_Formal_Charge	0
4112	Non-hydrogen_Atom_Count	33
23644194	Undefined_Bond_Stereo_Count	0
34757	Total_Formal_Charge	0
5488547	Covalent_Unit_Count	3
59777381	Non-hydrogen_Atom_Count	8
155290	Total_Formal_Charge	0
31677	Hydrogen_Bond_Acceptor_Count	2
75881	Rotatable_Bond_Count	6
5929	Isotope_Atom_Count	0
149208291	Structure_Complexity	96.4
5288217	Hydrogen_Bond_Donor_Count	4
18730043	TPSA	0
135005	Tautomer_Count	1
4451502	Covalent_Unit_Count	1
2766744	Defined_Atom_Stereo_Count	0
121596006	Structure_Complexity	1220
15239355	Mono_Isotopic_Weight	87.032028402
68022407	Undefined_Bond_Stereo_Count	0
56	Undefined_Bond_Stereo_Count	8
131082430	Covalent_Unit_Count	1
64049	Hydrogen_Bond_Acceptor_Count	3
444170	Structure_Complexity	1130
15560	Structure_Complexity	288
24822701	Undefined_Atom_Stereo_Count	0
58506875	Isotope_Atom_Count	0
1771194	Isotope_Atom_Count	0
58792515	Structure_Complexity	139
20172	Non-hydrogen_Atom_Count	30
34698	Total_Formal_Charge	0
21117498	Undefined_Atom_Stereo_Count	0
72	Tautomer_Count	10
71451929	Defined_Atom_Stereo_Count	2
2948	Undefined_Atom_Stereo_Count	0
78486	Undefined_Bond_Stereo_Count	0
142464198	Defined_Bond_Stereo_Count	0
18622348	Rotatable_Bond_Count	1
13035004	Defined_Bond_Stereo_Count	0
18755331	Molecular_Weight	88.11
7122	Non-hydrogen_Atom_Count	13
2542	Mono_Isotopic_Weight	314.224580195
82538	Total_Formal_Charge	0
67962	Defined_Atom_Stereo_Count	0
3990	Non-hydrogen_Atom_Count	31
85531465	Undefined_Bond_Stereo_Count	0
9967	Undefined_Bond_Stereo_Count	0
54231313	Rotatable_Bond_Count	0
23366185	Rotatable_Bond_Count	2
3042	Molecular_Weight	309.5
13487610	Undefined_Bond_Stereo_Count	0
14677	Molecular_Weight	296.4
66342	Structure_Complexity	309
21441185	Defined_Atom_Stereo_Count	0
10285793	Tautomer_Count	1
50309	Tautomer_Count	3
1342	Tautomer_Count	1
86307	Covalent_Unit_Count	1
3829279	Rotatable_Bond_Count	3
658645	Undefined_Atom_Stereo_Count	2
12423177	Hydrogen_Bond_Acceptor_Count	2
5353466	Rotatable_Bond_Count	6
8692	Isotope_Atom_Count	0
59059041	Defined_Bond_Stereo_Count	0
692450	Total_Formal_Charge	0
20038	Hydrogen_Bond_Donor_Count	0
68602	Exact_Mass	200.131348519
71453204	Defined_Atom_Stereo_Count	1
5227	Defined_Bond_Stereo_Count	0
11648276	TPSA	52.8
4604180	Total_Formal_Charge	0
20782632	Undefined_Bond_Stereo_Count	0
11146968	Hydrogen_Bond_Acceptor_Count	7
69272932	Isotope_Atom_Count	0
9548659	Isotope_Atom_Count	0
52940810	Hydrogen_Bond_Acceptor_Count	5
23365036	Covalent_Unit_Count	1
1613	Tautomer_Count	1
17182	Total_Formal_Charge	0
1450	Covalent_Unit_Count	1
3025961	Structure_Complexity	251
67923265	Hydrogen_Bond_Donor_Count	1
135398638	Undefined_Bond_Stereo_Count	0
36920	Molecular_Weight	295.4
65737	Structure_Complexity	449
9954944	Exact_Mass	441.16483347
153623425	Defined_Bond_Stereo_Count	0
61054	Covalent_Unit_Count	1
5257187	Structure_Complexity	304
123134056	Covalent_Unit_Count	2
3033017	Tautomer_Count	3
102201652	Non-hydrogen_Atom_Count	34
5205	Undefined_Bond_Stereo_Count	0
3048	Total_Formal_Charge	0
57505377	Rotatable_Bond_Count	2
15191343	Covalent_Unit_Count	1
88483	Isotope_Atom_Count	0
7375	Isotope_Atom_Count	0
422780	Hydrogen_Bond_Donor_Count	2
91555191	Undefined_Atom_Stereo_Count	2
79882	Covalent_Unit_Count	1
627386	Hydrogen_Bond_Donor_Count	1
19429	TPSA	0
10039774	XLogP3	3
3745420	Covalent_Unit_Count	1
689	Hydrogen_Bond_Acceptor_Count	14
18343	Hydrogen_Bond_Donor_Count	3
5484438	Mono_Isotopic_Weight	407.19440226
40468	Non-hydrogen_Atom_Count	17
441308	Isotope_Atom_Count	0
68416	Molecular_Weight	287.11
232789	Exact_Mass	195.936181
67247924	Isotope_Atom_Count	0
81981	Tautomer_Count	1
2451	Isotope_Atom_Count	0
190291	Undefined_Atom_Stereo_Count	0
14163	Hydrogen_Bond_Donor_Count	0
26660	Molecular_Weight	177.24
9897412	Structure_Complexity	1370
70919851	Hydrogen_Bond_Acceptor_Count	11
54580051	Structure_Complexity	654
65591	Isotope_Atom_Count	0
10261065	Mono_Isotopic_Weight	110.109550447
57341	Rotatable_Bond_Count	4
32169	TPSA	95.7
20111	Undefined_Atom_Stereo_Count	0
517304	Exact_Mass	768.36893846
5779	Undefined_Atom_Stereo_Count	1
1061	Covalent_Unit_Count	1
70701092	Mono_Isotopic_Weight	199.95853
120070	Hydrogen_Bond_Donor_Count	0
91750	Mono_Isotopic_Weight	414.09576811
24453	Isotope_Atom_Count	0
141276996	Hydrogen_Bond_Donor_Count	1
25127	Exact_Mass	193.110278721
67807	Tautomer_Count	1
26574	Molecular_Weight	58.81
2733832	Mono_Isotopic_Weight	167.11378108
81059	Hydrogen_Bond_Donor_Count	4
54677977	Hydrogen_Bond_Acceptor_Count	6
318911	Total_Formal_Charge	0
60172	Structure_Complexity	327
9970626	Structure_Complexity	304
54556023	Molecular_Weight	113.16
7022	Molecular_Weight	239.25
44208919	Hydrogen_Bond_Acceptor_Count	5
23535	Defined_Bond_Stereo_Count	0
55515	Total_Formal_Charge	0
11575878	Non-hydrogen_Atom_Count	33
11967800	Defined_Atom_Stereo_Count	0
121207368	Hydrogen_Bond_Acceptor_Count	1
10039361	Exact_Mass	281.116426730
14841958	Total_Formal_Charge	0
23293193	Defined_Atom_Stereo_Count	0
9322	Defined_Bond_Stereo_Count	0
67643801	Structure_Complexity	84.2
11101	Total_Formal_Charge	0
16224456	Isotope_Atom_Count	0
7084	Structure_Complexity	512
66683197	Mono_Isotopic_Weight	325.15904043
1319	Exact_Mass	304.109944368
12200171	Covalent_Unit_Count	1
34	Hydrogen_Bond_Donor_Count	1
76500	Structure_Complexity	180
13396127	Structure_Complexity	64.6
7979	Covalent_Unit_Count	1
6645	Undefined_Bond_Stereo_Count	0
69004	Hydrogen_Bond_Donor_Count	0
51941	Rotatable_Bond_Count	2
11469057	Covalent_Unit_Count	1
46783795	Mono_Isotopic_Weight	514.22028266
9833652	Defined_Atom_Stereo_Count	12
12397138	Exact_Mass	98.073164938
24947	Molecular_Weight	183.32
98888	Covalent_Unit_Count	1
3033865	Defined_Bond_Stereo_Count	0
123161	Hydrogen_Bond_Acceptor_Count	0
10441658	Exact_Mass	105.078978594
122672078	Hydrogen_Bond_Acceptor_Count	1
5708	Molecular_Weight	314.1
135442941	Structure_Complexity	529
67374621	Isotope_Atom_Count	0
16003	Isotope_Atom_Count	0
6868	Total_Formal_Charge	0
3029012	Mono_Isotopic_Weight	181.07389321
7716	Exact_Mass	218.203450829
10199	Structure_Complexity	155
7694	Defined_Atom_Stereo_Count	0
10953489	Molecular_Weight	124.09
31075	Non-hydrogen_Atom_Count	22
95724	Tautomer_Count	3
10704	Total_Formal_Charge	0
144739862	Covalent_Unit_Count	1
135398739	Total_Formal_Charge	0
54713659	Tautomer_Count	6
48758	Hydrogen_Bond_Acceptor_Count	3
22833547	Covalent_Unit_Count	1
9830317	Exact_Mass	608.0995698
71317097	TPSA	110
408793	Defined_Bond_Stereo_Count	0
129600762	Isotope_Atom_Count	0
170018	Undefined_Bond_Stereo_Count	0
865974	Hydrogen_Bond_Acceptor_Count	5
18345891	Defined_Atom_Stereo_Count	1
14909256	Covalent_Unit_Count	1
8546	Non-hydrogen_Atom_Count	29
4323059	Exact_Mass	138.05932639
5279172	Exact_Mass	388.13355396
8142	Tautomer_Count	1
541384	Hydrogen_Bond_Acceptor_Count	3
6331075	Hydrogen_Bond_Donor_Count	2
68156	Total_Formal_Charge	0
45006148	Hydrogen_Bond_Donor_Count	1
121410806	Non-hydrogen_Atom_Count	37
9812414	TPSA	365
24682	Undefined_Bond_Stereo_Count	0
14505	Exact_Mass	110.036779430
2733525	Covalent_Unit_Count	2
7135	Defined_Atom_Stereo_Count	0
59286	Structure_Complexity	290
86039889	Rotatable_Bond_Count	2
46218908	Rotatable_Bond_Count	14
642325	XLogP3-AA	1.4
527111	Rotatable_Bond_Count	3
20547	Non-hydrogen_Atom_Count	12
16415729	Hydrogen_Bond_Donor_Count	3
96316	XLogP3-AA	0.5
6490	Isotope_Atom_Count	0
151148	Rotatable_Bond_Count	5
53475321	Structure_Complexity	645
11480403	Defined_Bond_Stereo_Count	0
18303	XLogP3-AA	0.3
7693	Isotope_Atom_Count	0
21788	XLogP3-AA	5.6
8495	Defined_Atom_Stereo_Count	0
58870	Hydrogen_Bond_Donor_Count	2
15480	Undefined_Bond_Stereo_Count	0
71509158	Molecular_Weight	717.6
24968	Undefined_Bond_Stereo_Count	0
12305	Non-hydrogen_Atom_Count	7
70280758	Rotatable_Bond_Count	4
5534	Defined_Atom_Stereo_Count	0
82362	Hydrogen_Bond_Acceptor_Count	13
3034808	TPSA	119
132278564	Hydrogen_Bond_Acceptor_Count	7
9576814	Exact_Mass	228.183778013
58270057	XLogP3-AA	1.7
12635750	Isotope_Atom_Count	0
817623	Defined_Bond_Stereo_Count	0
67711	Hydrogen_Bond_Acceptor_Count	2
674188	Total_Formal_Charge	0
521218	TPSA	9.2
424353	Rotatable_Bond_Count	6
6713368	Defined_Bond_Stereo_Count	0
12950123	Total_Formal_Charge	0
19985227	Isotope_Atom_Count	0
13019052	Defined_Atom_Stereo_Count	3
11661758	Hydrogen_Bond_Donor_Count	4
12936730	Undefined_Bond_Stereo_Count	0
31068	Structure_Complexity	440
5920	Undefined_Bond_Stereo_Count	0
18591	Covalent_Unit_Count	1
558359	Defined_Atom_Stereo_Count	0
5352	Mono_Isotopic_Weight	356.08824374
146962972	Exact_Mass	97.089149355
90429111	Exact_Mass	115.026943022
3337411	Structure_Complexity	454
134692189	Hydrogen_Bond_Donor_Count	3
84614	Defined_Bond_Stereo_Count	0
20814133	Exact_Mass	85.03884512
11029779	Non-hydrogen_Atom_Count	8
73292	Covalent_Unit_Count	2
9150	Structure_Complexity	282
32438	Undefined_Atom_Stereo_Count	1
15981450	Isotope_Atom_Count	0
74663	Defined_Bond_Stereo_Count	0
2532	Non-hydrogen_Atom_Count	26
324379	XLogP3-AA	1.2
3494	Defined_Atom_Stereo_Count	0
13135	Total_Formal_Charge	0
92131209	Hydrogen_Bond_Donor_Count	6
53346603	Isotope_Atom_Count	0
17174	Non-hydrogen_Atom_Count	8
79946	Isotope_Atom_Count	0
18273	Tautomer_Count	1
3028194	Defined_Bond_Stereo_Count	0
1993	Hydrogen_Bond_Acceptor_Count	2
11124	Non-hydrogen_Atom_Count	6
78837	Structure_Complexity	46.1
58191	Covalent_Unit_Count	1
4436967	Non-hydrogen_Atom_Count	27
423438	Defined_Atom_Stereo_Count	0
8402	Covalent_Unit_Count	1
5188	Structure_Complexity	455
41967	Tautomer_Count	1
9319	Hydrogen_Bond_Donor_Count	0
107968	Molecular_Weight	205.28
84715993	Hydrogen_Bond_Donor_Count	1
23668198	Rotatable_Bond_Count	3
6951123	TPSA	49.3
73364	Isotope_Atom_Count	0
64402	Covalent_Unit_Count	1
55067	Tautomer_Count	1
852	Defined_Bond_Stereo_Count	0
14195541	TPSA	20.2
148123	Structure_Complexity	1660
12244	XLogP3	1.1
11521070	TPSA	29.1
53763274	XLogP3-AA	2.4
12986478	Exact_Mass	115.063328530
21576	Structure_Complexity	232
20996	Exact_Mass	246.2114287
19437303	Structure_Complexity	80.2
6948	Exact_Mass	499.7267
6999	Total_Formal_Charge	0
12256	Total_Formal_Charge	0
5287851	Undefined_Bond_Stereo_Count	0
6537503	Defined_Atom_Stereo_Count	0
2033	Hydrogen_Bond_Donor_Count	1
12580	Mono_Isotopic_Weight	136.088815002
12614	Total_Formal_Charge	0
4884	XLogP3-AA	1
65327	Mono_Isotopic_Weight	302.1549764
57395178	Hydrogen_Bond_Donor_Count	0
1101	Molecular_Weight	180.16
159384	Isotope_Atom_Count	0
628447	XLogP3-AA	2.8
5487068	Covalent_Unit_Count	5
9282	Total_Formal_Charge	2
49778730	TPSA	96.3
13400858	Defined_Atom_Stereo_Count	0
67375395	Molecular_Weight	411.5
13652	TPSA	0
73801102	Non-hydrogen_Atom_Count	7
3791919	Defined_Atom_Stereo_Count	0
20190614	Non-hydrogen_Atom_Count	7
21278826	Exact_Mass	98.084398327
79276	Rotatable_Bond_Count	19
89582531	Hydrogen_Bond_Donor_Count	1
3980	Defined_Bond_Stereo_Count	0
12298558	Covalent_Unit_Count	1
2812075	Rotatable_Bond_Count	4
968472	Exact_Mass	328.14230712
64139	Exact_Mass	315.0273907
138860	Mono_Isotopic_Weight	104.062600255
123976	Undefined_Bond_Stereo_Count	0
65910	Hydrogen_Bond_Acceptor_Count	11
13860942	TPSA	64.6
139179563	TPSA	18.5
20200448	Total_Formal_Charge	0
16132429	Defined_Bond_Stereo_Count	0
135398599	Undefined_Atom_Stereo_Count	0
9524	Hydrogen_Bond_Donor_Count	0
6720	Molecular_Weight	295.3
44033	Exact_Mass	367.1081396
4113	Hydrogen_Bond_Acceptor_Count	2
193989	Rotatable_Bond_Count	6
88035911	Structure_Complexity	459
242605	Structure_Complexity	248
11715	Defined_Atom_Stereo_Count	0
122433	Defined_Bond_Stereo_Count	0
135626366	Structure_Complexity	128
44120162	Defined_Bond_Stereo_Count	0
20633892	Exact_Mass	112.088815002
5056739	TPSA	29.5
10534635	Undefined_Bond_Stereo_Count	0
25116191	Rotatable_Bond_Count	6
12180	Covalent_Unit_Count	1
20885	Undefined_Atom_Stereo_Count	0
6992023	Hydrogen_Bond_Acceptor_Count	5
99338	Non-hydrogen_Atom_Count	6
23725051	Molecular_Weight	291.8
11105310	Defined_Bond_Stereo_Count	0
13968540	Isotope_Atom_Count	0
66678	Total_Formal_Charge	0
13247016	Undefined_Bond_Stereo_Count	0
129831062	TPSA	50.3
45794	Covalent_Unit_Count	2
29228	Defined_Atom_Stereo_Count	0
12711096	Covalent_Unit_Count	1
10107	Hydrogen_Bond_Acceptor_Count	4
21903	Hydrogen_Bond_Acceptor_Count	3
61960	Molecular_Weight	374.6
5472495	Rotatable_Bond_Count	4
7143	Hydrogen_Bond_Donor_Count	1
23617351	Total_Formal_Charge	0
123558404	TPSA	20.3
12415356	XLogP3-AA	0
153067665	Covalent_Unit_Count	1
10020475	Total_Formal_Charge	0
7182	Exact_Mass	209.06880783
484990	Structure_Complexity	377
6230	Defined_Atom_Stereo_Count	6
77232	Undefined_Atom_Stereo_Count	0
23394557	Undefined_Atom_Stereo_Count	0
9843750	Isotope_Atom_Count	0
54031007	Non-hydrogen_Atom_Count	7
3322	Hydrogen_Bond_Donor_Count	1
46204457	Total_Formal_Charge	0
91583	Rotatable_Bond_Count	5
9862272	Non-hydrogen_Atom_Count	23
135542556	Defined_Atom_Stereo_Count	2
55288167	Structure_Complexity	74.1
14388239	Total_Formal_Charge	0
56670170	Rotatable_Bond_Count	5
72941505	Molecular_Weight	377.28
68432538	TPSA	18.5
2724372	TPSA	36.4
86412	XLogP3-AA	2.3
12207123	Mono_Isotopic_Weight	71.073499291
11957590	Hydrogen_Bond_Donor_Count	3
71661158	Defined_Bond_Stereo_Count	0
12561969	Defined_Atom_Stereo_Count	0
68737	Defined_Bond_Stereo_Count	0
34364440	Undefined_Atom_Stereo_Count	0
279062	Total_Formal_Charge	0
6140	Isotope_Atom_Count	0
102115685	Structure_Complexity	102
8169	Defined_Bond_Stereo_Count	0
72941779	Isotope_Atom_Count	0
123896575	Rotatable_Bond_Count	1
10582552	Isotope_Atom_Count	0
57396213	TPSA	102
5395	Mono_Isotopic_Weight	173.141578849
135415868	Non-hydrogen_Atom_Count	33
91692850	Molecular_Weight	342.30
6918454	TPSA	50.4
16211189	Non-hydrogen_Atom_Count	13
69448	Rotatable_Bond_Count	2
4583824	Undefined_Atom_Stereo_Count	0
163460608	Structure_Complexity	72.9
23274317	Undefined_Bond_Stereo_Count	0
20974	Isotope_Atom_Count	0
79811	Defined_Atom_Stereo_Count	0
15123310	Mono_Isotopic_Weight	295.0512396
107656	Total_Formal_Charge	0
9026	Exact_Mass	354.31339520
16211195	Defined_Atom_Stereo_Count	4
25242	Covalent_Unit_Count	1
37	Non-hydrogen_Atom_Count	12
13991616	Molecular_Weight	268.22
66587064	Covalent_Unit_Count	2
57454999	Undefined_Atom_Stereo_Count	2
12820045	TPSA	20.2
14264	Undefined_Bond_Stereo_Count	0
6436605	Hydrogen_Bond_Donor_Count	1
67556876	Hydrogen_Bond_Acceptor_Count	3
76922	Hydrogen_Bond_Donor_Count	0
7030	Undefined_Atom_Stereo_Count	0
7464	XLogP3	2.2
114834	Hydrogen_Bond_Donor_Count	0
6436148	Hydrogen_Bond_Donor_Count	1
2724	Covalent_Unit_Count	1
72758	Tautomer_Count	2
99132	Undefined_Bond_Stereo_Count	0
67707	Isotope_Atom_Count	0
2737168	Tautomer_Count	1
12563346	Mono_Isotopic_Weight	142.00885060
223368	XLogP3-AA	2.9
193090	Mono_Isotopic_Weight	102.031694049
138149697	Total_Formal_Charge	0
44134800	Exact_Mass	306.0627584
11069	Exact_Mass	422.15115773
561	Hydrogen_Bond_Acceptor_Count	7
67060	Total_Formal_Charge	0
21679899	Molecular_Weight	98.14
54285963	Structure_Complexity	198
24848419	Molecular_Weight	420.5
116047519	Total_Formal_Charge	0
21701560	Undefined_Bond_Stereo_Count	0
16760063	XLogP3-AA	5.9
10862733	Hydrogen_Bond_Acceptor_Count	0
319715	Mono_Isotopic_Weight	239.07937252
21071390	Hydrogen_Bond_Acceptor_Count	7
22253	Isotope_Atom_Count	0
42185	TPSA	65.1
15809	Total_Formal_Charge	0
439243	Covalent_Unit_Count	7
54686904	Rotatable_Bond_Count	7
14475	Hydrogen_Bond_Acceptor_Count	2
572565	Mono_Isotopic_Weight	108.043596145
10909564	Isotope_Atom_Count	0
44629681	TPSA	107
8674	Mono_Isotopic_Weight	303.97114494
67482753	TPSA	59.2
30587	Defined_Atom_Stereo_Count	0
69851796	Total_Formal_Charge	0
10103118	Tautomer_Count	1
445575	Hydrogen_Bond_Acceptor_Count	3
6438895	Covalent_Unit_Count	1
5320	Defined_Bond_Stereo_Count	0
146675212	Mono_Isotopic_Weight	1221.14784090
643918	Defined_Bond_Stereo_Count	1
38963	Mono_Isotopic_Weight	392.1502850
3035218	Hydrogen_Bond_Donor_Count	7
21954776	Total_Formal_Charge	0
60196333	TPSA	24.9
131204	Hydrogen_Bond_Donor_Count	4
23847	Undefined_Bond_Stereo_Count	0
70687387	XLogP3-AA	3.3
350	Mono_Isotopic_Weight	343.08546021
133478	Isotope_Atom_Count	0
7819	Hydrogen_Bond_Donor_Count	0
67112011	Defined_Atom_Stereo_Count	0
6918097	Covalent_Unit_Count	1
10246505	Hydrogen_Bond_Donor_Count	3
452548	Hydrogen_Bond_Acceptor_Count	14
102063093	Mono_Isotopic_Weight	168.115029749
71337442	Undefined_Bond_Stereo_Count	0
3283	Hydrogen_Bond_Acceptor_Count	1
9821	Total_Formal_Charge	0
68494	Mono_Isotopic_Weight	286.05897142
118327	Non-hydrogen_Atom_Count	24
21491139	TPSA	61.1
102600809	Hydrogen_Bond_Acceptor_Count	10
24949398	Hydrogen_Bond_Donor_Count	3
2106909	Rotatable_Bond_Count	2
22321577	Covalent_Unit_Count	1
12692921	Isotope_Atom_Count	0
139001	Rotatable_Bond_Count	0
867	Molecular_Weight	104.06
11417567	Total_Formal_Charge	0
96402	Exact_Mass	278.0629059
65411	XLogP3-AA	0.7
51629	Isotope_Atom_Count	0
54150248	Hydrogen_Bond_Donor_Count	1
76376	Undefined_Bond_Stereo_Count	0
11656753	Hydrogen_Bond_Donor_Count	2
11815316	Exact_Mass	112.063662883
460516	Hydrogen_Bond_Acceptor_Count	7
75881	XLogP3-AA	1.5
6918203	Tautomer_Count	1
6992041	Exact_Mass	278.96977556
154655788	Mono_Isotopic_Weight	112.088815002
12294	Undefined_Bond_Stereo_Count	0
5994	Covalent_Unit_Count	1
6092	Tautomer_Count	1
493082	Hydrogen_Bond_Donor_Count	0
19602	TPSA	13.1
20871316	Exact_Mass	112.088815002
64627	Structure_Complexity	609
99129	Covalent_Unit_Count	1
11423566	Defined_Atom_Stereo_Count	0
77541	Structure_Complexity	164
21201338	Structure_Complexity	206
643964	Total_Formal_Charge	0
74066	Total_Formal_Charge	0
6321424	XLogP3-AA	4.1
3014138	Mono_Isotopic_Weight	123.068413911
69341841	Rotatable_Bond_Count	0
41376	Mono_Isotopic_Weight	321.17356494
5363095	Undefined_Atom_Stereo_Count	0
9853053	TPSA	61.4
91768	Hydrogen_Bond_Acceptor_Count	8
122376379	Defined_Atom_Stereo_Count	3
67299	Structure_Complexity	108
14552708	Rotatable_Bond_Count	12
934	Exact_Mass	57.935342
5282403	Molecular_Weight	405.5
55285230	Non-hydrogen_Atom_Count	8
64184	Undefined_Atom_Stereo_Count	2
443210	Covalent_Unit_Count	1
70144	Hydrogen_Bond_Donor_Count	0
59519119	Undefined_Atom_Stereo_Count	1
962001	Rotatable_Bond_Count	4
62810	Undefined_Atom_Stereo_Count	0
143047391	Hydrogen_Bond_Donor_Count	1
6584	Isotope_Atom_Count	0
7721	Non-hydrogen_Atom_Count	9
11083045	Exact_Mass	701.55083
2224	XLogP3-AA	7.6
71464488	Undefined_Atom_Stereo_Count	1
4977	Hydrogen_Bond_Donor_Count	1
12248932	Isotope_Atom_Count	0
15627	Molecular_Weight	160.25
135399235	Non-hydrogen_Atom_Count	20
102025582	Mono_Isotopic_Weight	342.11621151
1097	Covalent_Unit_Count	1
9934347	Non-hydrogen_Atom_Count	33
11865459	XLogP3	2.9
13573631	Rotatable_Bond_Count	3
497266	Mono_Isotopic_Weight	292.09066547
156618186	Undefined_Atom_Stereo_Count	0
67236438	Tautomer_Count	3
7594	Molecular_Weight	211.26
44792	Exact_Mass	173.177964357
398687	Undefined_Bond_Stereo_Count	0
131110184	Defined_Atom_Stereo_Count	0
21391884	Covalent_Unit_Count	1
14385	Total_Formal_Charge	0
14783	Hydrogen_Bond_Acceptor_Count	1
164656	Defined_Bond_Stereo_Count	0
9817917	Undefined_Bond_Stereo_Count	0
53407792	Rotatable_Bond_Count	0
2117002	Total_Formal_Charge	0
11675054	Defined_Atom_Stereo_Count	0
87605	Defined_Bond_Stereo_Count	0
44319	Hydrogen_Bond_Acceptor_Count	1
5354133	Undefined_Bond_Stereo_Count	0
17310	XLogP3-AA	1.8
69601	Exact_Mass	116.062600255
19974934	XLogP3-AA	2.5
6999801	Covalent_Unit_Count	1
57992175	Defined_Atom_Stereo_Count	0
4136	Undefined_Bond_Stereo_Count	0
19212	Molecular_Weight	464.6
5460700	Tautomer_Count	1
70922	Defined_Atom_Stereo_Count	0
741	TPSA	426
24287	Structure_Complexity	19.1
5355863	Defined_Atom_Stereo_Count	0
5727	Defined_Bond_Stereo_Count	0
11429	Undefined_Bond_Stereo_Count	0
6694	Non-hydrogen_Atom_Count	34
60196323	Exact_Mass	392.1689124
133952	Isotope_Atom_Count	0
117120	Isotope_Atom_Count	0
24229456	Exact_Mass	108.032362755
56666736	Covalent_Unit_Count	1
9929430	Total_Formal_Charge	0
23567201	Undefined_Atom_Stereo_Count	0
535823	Hydrogen_Bond_Donor_Count	0
7203	Undefined_Atom_Stereo_Count	0
4676	Isotope_Atom_Count	0
6435360	Undefined_Atom_Stereo_Count	1
4984721	Defined_Atom_Stereo_Count	0
10462961	Exact_Mass	783.40948040
73030065	Total_Formal_Charge	0
7897	Exact_Mass	88.052429494
21670825	XLogP3-AA	6.6
87646	TPSA	20.2
21519587	Structure_Complexity	99
22135	Defined_Atom_Stereo_Count	0
3103	Undefined_Bond_Stereo_Count	0
164575893	Total_Formal_Charge	0
76748	Structure_Complexity	105
439680	Total_Formal_Charge	0
3055174	XLogP3	3
556035	Defined_Atom_Stereo_Count	0
84598	Rotatable_Bond_Count	0
23153	Defined_Bond_Stereo_Count	0
45588109	Hydrogen_Bond_Acceptor_Count	5
68681268	Non-hydrogen_Atom_Count	32
66829	Mono_Isotopic_Weight	162.02854067
14572930	Hydrogen_Bond_Donor_Count	0
23545554	Undefined_Bond_Stereo_Count	0
2543	Defined_Bond_Stereo_Count	0
9220	Non-hydrogen_Atom_Count	9
1257	TPSA	31.9
13019092	Non-hydrogen_Atom_Count	6
31629	Undefined_Bond_Stereo_Count	0
6436661	Molecular_Weight	626.5
79123	Undefined_Atom_Stereo_Count	1
88266	Hydrogen_Bond_Donor_Count	1
93147	Isotope_Atom_Count	0
4914498	TPSA	20.2
123769339	Hydrogen_Bond_Donor_Count	1
756	Hydrogen_Bond_Acceptor_Count	2
67578175	Structure_Complexity	782
115069	Non-hydrogen_Atom_Count	24
165664742	Non-hydrogen_Atom_Count	7
59894	XLogP3	1.8
373735	Structure_Complexity	63.5
357	Exact_Mass	217.903761
75355757	TPSA	33
69885	Non-hydrogen_Atom_Count	13
4353	XLogP3-AA	0.1
25019176	Mono_Isotopic_Weight	350.15768240
2683	Undefined_Atom_Stereo_Count	0
31353	Undefined_Atom_Stereo_Count	1
566032	Total_Formal_Charge	0
647120	Molecular_Weight	403.8
14179013	Defined_Atom_Stereo_Count	3
12739608	Hydrogen_Bond_Donor_Count	0
33376	Defined_Atom_Stereo_Count	0
7214	Undefined_Bond_Stereo_Count	1
62672	Non-hydrogen_Atom_Count	10
7525	Structure_Complexity	59.5
80783	Covalent_Unit_Count	1
84866	Non-hydrogen_Atom_Count	14
15037	Mono_Isotopic_Weight	147.068413911
6273	Molecular_Weight	226.23
138961	Undefined_Bond_Stereo_Count	0
15732693	Defined_Atom_Stereo_Count	0
5282241	Undefined_Bond_Stereo_Count	0
9967055	Hydrogen_Bond_Donor_Count	1
21470208	Hydrogen_Bond_Donor_Count	2
9796068	Hydrogen_Bond_Donor_Count	1
354785	Total_Formal_Charge	0
9561131	Non-hydrogen_Atom_Count	12
723	Structure_Complexity	119
5365125	XLogP3-AA	6.5
91259187	Total_Formal_Charge	0
9160	Non-hydrogen_Atom_Count	21
15981323	Structure_Complexity	557
14437479	Undefined_Atom_Stereo_Count	0
19803703	Covalent_Unit_Count	1
2122	Undefined_Atom_Stereo_Count	1
44451124	Isotope_Atom_Count	0
70684298	TPSA	69
56270	XLogP3	1.5
10646616	Undefined_Bond_Stereo_Count	0
53245830	Rotatable_Bond_Count	17
91942	Rotatable_Bond_Count	5
9517	Non-hydrogen_Atom_Count	14
342570	Undefined_Bond_Stereo_Count	0
14022511	Undefined_Bond_Stereo_Count	0
17111	Mono_Isotopic_Weight	143.094628657
50295	Hydrogen_Bond_Donor_Count	0
58460047	Undefined_Bond_Stereo_Count	0
6566	Structure_Complexity	22.9
44560771	XLogP3-AA	2
163668741	Total_Formal_Charge	0
66992840	Defined_Atom_Stereo_Count	0
108018	Defined_Bond_Stereo_Count	0
89027467	Hydrogen_Bond_Donor_Count	0
221881	TPSA	18.5
112230	Defined_Atom_Stereo_Count	0
22623468	Hydrogen_Bond_Donor_Count	0
36382	Undefined_Atom_Stereo_Count	0
23669624	Structure_Complexity	184
642326	Exact_Mass	99.104799419
5726	Undefined_Bond_Stereo_Count	0
24361	Covalent_Unit_Count	1
87892	Rotatable_Bond_Count	16
11962267	Defined_Atom_Stereo_Count	0
110640	Isotope_Atom_Count	0
80108693	Hydrogen_Bond_Acceptor_Count	2
3081372	Undefined_Bond_Stereo_Count	0
32051	Structure_Complexity	0
140732872	Defined_Atom_Stereo_Count	0
154461366	Structure_Complexity	122
12394845	Rotatable_Bond_Count	0
44338784	Non-hydrogen_Atom_Count	34
11332442	Undefined_Atom_Stereo_Count	0
87282052	Covalent_Unit_Count	1
10439034	Mono_Isotopic_Weight	632.26332572
8881	Exact_Mass	111.9846556
517055	Non-hydrogen_Atom_Count	10
17132	Non-hydrogen_Atom_Count	13
4679699	Isotope_Atom_Count	0
87964902	XLogP3-AA	2.3
54584750	TPSA	130
17795	Hydrogen_Bond_Acceptor_Count	0
395450	Rotatable_Bond_Count	5
27447	Hydrogen_Bond_Donor_Count	3
637892	Covalent_Unit_Count	1
88142236	Covalent_Unit_Count	1
14276	Molecular_Weight	113.20
11114	Exact_Mass	272.1291556
52949373	Hydrogen_Bond_Donor_Count	2
91824766	Isotope_Atom_Count	0
71453618	Covalent_Unit_Count	1
58714	Covalent_Unit_Count	1
57392493	Exact_Mass	457.25294081
14611919	Undefined_Bond_Stereo_Count	0
154809859	Exact_Mass	665.30474055
13765439	Molecular_Weight	163.20
7313	Hydrogen_Bond_Acceptor_Count	2
14906718	Hydrogen_Bond_Donor_Count	2
71105	XLogP3-AA	1.9
73675	Rotatable_Bond_Count	4
135532928	Isotope_Atom_Count	0
101815863	Hydrogen_Bond_Donor_Count	2
70754	Hydrogen_Bond_Acceptor_Count	1
16683023	Undefined_Bond_Stereo_Count	0
10526	Mono_Isotopic_Weight	398.20932405
16130957	Undefined_Atom_Stereo_Count	0
8543	Tautomer_Count	9
6196	Exact_Mass	401.10454189
22016536	Structure_Complexity	706
129722292	Defined_Atom_Stereo_Count	0
7401	Rotatable_Bond_Count	2
9794712	Undefined_Bond_Stereo_Count	0
27976	Rotatable_Bond_Count	2
37384	Total_Formal_Charge	0
65079	Non-hydrogen_Atom_Count	45
68009554	Molecular_Weight	342.30
9966051	XLogP3-AA	4.2
16126898	Mono_Isotopic_Weight	524.2765481
34633	Isotope_Atom_Count	0
69807449	XLogP3-AA	0.1
70769	TPSA	17.8
118988662	Molecular_Weight	591.1
57565697	Exact_Mass	116.083729621
188802	Covalent_Unit_Count	2
25164108	Molecular_Weight	273.76
53403603	Defined_Bond_Stereo_Count	0
69968	Rotatable_Bond_Count	18
84398	Tautomer_Count	1
11949689	Defined_Bond_Stereo_Count	0
10192685	Undefined_Bond_Stereo_Count	0
154914	Molecular_Weight	363.25
58528	Hydrogen_Bond_Donor_Count	1
45085029	Undefined_Atom_Stereo_Count	1
10238746	Exact_Mass	435.28857743
10379137	Rotatable_Bond_Count	5
6002001	Non-hydrogen_Atom_Count	31
63011	Rotatable_Bond_Count	5
12344722	Molecular_Weight	93.13
107697	Hydrogen_Bond_Donor_Count	2
11196237	Mono_Isotopic_Weight	260.08960285
145025	Molecular_Weight	100.16
15567528	Exact_Mass	112.063662883
17754772	Exact_Mass	306.15929460
5462328	Exact_Mass	369.15762283
2763054	Total_Formal_Charge	0
85500	Non-hydrogen_Atom_Count	26
6437357	Tautomer_Count	6
19820834	Mono_Isotopic_Weight	101.047678466
64973752	Structure_Complexity	71.4
99058	Non-hydrogen_Atom_Count	16
44560772	XLogP3-AA	1.5
10311306	Hydrogen_Bond_Acceptor_Count	9
53584	Hydrogen_Bond_Donor_Count	1
30214	Hydrogen_Bond_Acceptor_Count	2
736351	Defined_Bond_Stereo_Count	0
76968809	Isotope_Atom_Count	0
92128	Isotope_Atom_Count	0
3084049	Hydrogen_Bond_Donor_Count	14
71693	Molecular_Weight	311.4
834	Hydrogen_Bond_Acceptor_Count	7
9908783	Undefined_Bond_Stereo_Count	0
67444	Undefined_Atom_Stereo_Count	0
70693548	Total_Formal_Charge	0
87060437	XLogP3-AA	5.1
51683	TPSA	63.9
13087010	Mono_Isotopic_Weight	332.23514488
9568628	Molecular_Weight	327.5
516919	Rotatable_Bond_Count	0
13028028	Total_Formal_Charge	0
9960569	Undefined_Atom_Stereo_Count	0
62327	Tautomer_Count	5
70177	Hydrogen_Bond_Donor_Count	2
22875828	Isotope_Atom_Count	0
70694228	Undefined_Atom_Stereo_Count	0
6436541	Hydrogen_Bond_Acceptor_Count	4
91667591	Molecular_Weight	978.6
70273609	TPSA	0
266934	Non-hydrogen_Atom_Count	18
135489810	Non-hydrogen_Atom_Count	8
69162577	Hydrogen_Bond_Donor_Count	1
189594	TPSA	23.5
5352771	Rotatable_Bond_Count	11
33176	TPSA	68.5
246724	Total_Formal_Charge	0
87645235	Total_Formal_Charge	0
86287519	Defined_Bond_Stereo_Count	1
118855910	Structure_Complexity	151
66624275	Covalent_Unit_Count	1
31721	Undefined_Bond_Stereo_Count	0
12394645	Non-hydrogen_Atom_Count	8
88959077	Non-hydrogen_Atom_Count	8
29675	Isotope_Atom_Count	0
70255	TPSA	17.8
90750	Covalent_Unit_Count	1
2795887	Undefined_Bond_Stereo_Count	0
68847	Rotatable_Bond_Count	5
323180	Undefined_Atom_Stereo_Count	0
137843	Rotatable_Bond_Count	2
70106	XLogP3-AA	1.3
4191617	Rotatable_Bond_Count	0
135347950	Defined_Atom_Stereo_Count	0
6918584	Structure_Complexity	2790
12965	Structure_Complexity	68.5
154214	Isotope_Atom_Count	0
6406	Covalent_Unit_Count	1
444302	Molecular_Weight	299.43
6916	Undefined_Bond_Stereo_Count	0
33728341	Mono_Isotopic_Weight	113.058911855
46078	Isotope_Atom_Count	0
3506	Rotatable_Bond_Count	12
688803	Covalent_Unit_Count	1
11853779	Undefined_Bond_Stereo_Count	0
128600	Structure_Complexity	481
14890212	Defined_Atom_Stereo_Count	0
13618050	XLogP3-AA	0.5
2617	Undefined_Bond_Stereo_Count	0
6786	Defined_Atom_Stereo_Count	0
262752	Structure_Complexity	267
84986	Isotope_Atom_Count	0
53395363	Defined_Bond_Stereo_Count	0
78145	Non-hydrogen_Atom_Count	10
6918558	Hydrogen_Bond_Donor_Count	1
24848402	Defined_Bond_Stereo_Count	0
3084667	Tautomer_Count	1
24846132	Isotope_Atom_Count	0
23535	Exact_Mass	273.172878976
590556	Exact_Mass	148.03851076
9799979	Hydrogen_Bond_Donor_Count	1
2724277	Non-hydrogen_Atom_Count	14
6476333	Hydrogen_Bond_Acceptor_Count	15
52940549	Exact_Mass	680.37717722
1225	Covalent_Unit_Count	1
164668700	Exact_Mass	110.036779430
5464436	Exact_Mass	389.14993230
71680844	Rotatable_Bond_Count	4
10532	Mono_Isotopic_Weight	535.17221
79004	Structure_Complexity	23.6
6918188	Undefined_Atom_Stereo_Count	0
66828839	XLogP3-AA	4.6
9969613	Defined_Bond_Stereo_Count	0
134399	Structure_Complexity	86.9
11423561	Hydrogen_Bond_Acceptor_Count	1
49866025	Defined_Atom_Stereo_Count	2
28026	Total_Formal_Charge	0
21115436	Hydrogen_Bond_Acceptor_Count	4
12366	XLogP3-AA	7.8
628127	Structure_Complexity	310
28830	Non-hydrogen_Atom_Count	19
161104	Non-hydrogen_Atom_Count	24
29455	Isotope_Atom_Count	0
71449859	TPSA	114
87853465	Undefined_Bond_Stereo_Count	0
77388	Non-hydrogen_Atom_Count	22
10499446	Isotope_Atom_Count	0
27402	Defined_Bond_Stereo_Count	0
67742	Mono_Isotopic_Weight	309.96877548
121763185	Undefined_Atom_Stereo_Count	3
319771	Undefined_Bond_Stereo_Count	0
2578	Molecular_Weight	214.05
10698	XLogP3-AA	2.7
59269371	Exact_Mass	112.052429494
96284	Total_Formal_Charge	0
29778	TPSA	80.7
59519119	Hydrogen_Bond_Acceptor_Count	1
115163	Undefined_Bond_Stereo_Count	0
17819	Tautomer_Count	13
9843089	Hydrogen_Bond_Acceptor_Count	8
1365	Mono_Isotopic_Weight	376.08414080
122214804	Mono_Isotopic_Weight	311.9868610
6971017	Structure_Complexity	89.6
65510	Molecular_Weight	262.65
22480816	Rotatable_Bond_Count	1
74041114	Rotatable_Bond_Count	1
123519634	Non-hydrogen_Atom_Count	8
4093	Undefined_Bond_Stereo_Count	0
23667568	Hydrogen_Bond_Acceptor_Count	4
162642814	Total_Formal_Charge	0
123146	Defined_Atom_Stereo_Count	0
69365	Undefined_Bond_Stereo_Count	0
5324560	Non-hydrogen_Atom_Count	9
461399	Hydrogen_Bond_Acceptor_Count	8
12598088	Hydrogen_Bond_Donor_Count	1
30824	Defined_Bond_Stereo_Count	0
40459111	Structure_Complexity	370
80642	Undefined_Atom_Stereo_Count	0
115739	Undefined_Atom_Stereo_Count	1
55288089	Structure_Complexity	118
76973769	Defined_Atom_Stereo_Count	6
126627233	Exact_Mass	100.100048391
22024864	Structure_Complexity	97.1
163091	Undefined_Bond_Stereo_Count	0
12387212	Molecular_Weight	104.10
5706752	Undefined_Atom_Stereo_Count	0
197942	Non-hydrogen_Atom_Count	13
7695	Total_Formal_Charge	0
25199807	Defined_Bond_Stereo_Count	2
38674	Defined_Bond_Stereo_Count	0
32933	Non-hydrogen_Atom_Count	19
265520	Covalent_Unit_Count	1
20146588	Total_Formal_Charge	0
736351	Isotope_Atom_Count	0
11987858	Undefined_Atom_Stereo_Count	0
22158518	Total_Formal_Charge	0
139031455	Mono_Isotopic_Weight	553.03823343
165141	Defined_Bond_Stereo_Count	0
529277	Hydrogen_Bond_Donor_Count	0
124328800	Non-hydrogen_Atom_Count	36
71517697	Covalent_Unit_Count	1
2770166	Exact_Mass	131.05171847
54545615	Undefined_Atom_Stereo_Count	1
11575	Mono_Isotopic_Weight	203.94360
6331075	Structure_Complexity	508
21668201	Hydrogen_Bond_Donor_Count	2
10005402	Hydrogen_Bond_Acceptor_Count	9
10126019	XLogP3-AA	2.4
49248	Structure_Complexity	327
5791	Tautomer_Count	10
98735	Undefined_Atom_Stereo_Count	0
12787245	Molecular_Weight	97.12
46202081	Non-hydrogen_Atom_Count	32
150257	Exact_Mass	267.06776246
225710	Total_Formal_Charge	0
9409	Mono_Isotopic_Weight	959.9824113
460987	Defined_Atom_Stereo_Count	6
12561970	Total_Formal_Charge	0
154522874	XLogP3-AA	0.4
11442891	Exact_Mass	474.23793884
68696	Defined_Atom_Stereo_Count	0
4009	Structure_Complexity	783
57399909	Undefined_Bond_Stereo_Count	0
11705034	Exact_Mass	447.1855608
90369	Defined_Atom_Stereo_Count	0
447227	Molecular_Weight	276.35
30532	Isotope_Atom_Count	0
104881	Total_Formal_Charge	0
26757	Structure_Complexity	195
19822625	Structure_Complexity	41.4
20607916	Hydrogen_Bond_Donor_Count	0
6825	Isotope_Atom_Count	0
135436543	Mono_Isotopic_Weight	204.089877630
24900685	Defined_Bond_Stereo_Count	0
59653	Covalent_Unit_Count	1
9793707	Rotatable_Bond_Count	0
36647	Structure_Complexity	234
10753311	Defined_Bond_Stereo_Count	0
69698	Rotatable_Bond_Count	1
11394	Defined_Atom_Stereo_Count	0
8749	Exact_Mass	150.079312947
2724126	Isotope_Atom_Count	0
15564	Molecular_Weight	242.3
14244	Defined_Bond_Stereo_Count	0
32307	Hydrogen_Bond_Donor_Count	1
21572608	Covalent_Unit_Count	1
81110	Non-hydrogen_Atom_Count	12
37144	Undefined_Atom_Stereo_Count	0
53694406	XLogP3-AA	2.8
6335951	Isotope_Atom_Count	0
3139	Defined_Bond_Stereo_Count	0
5282421	Undefined_Atom_Stereo_Count	0
9033	Covalent_Unit_Count	1
910	Hydrogen_Bond_Acceptor_Count	5
1820	Mono_Isotopic_Weight	179.03825660
1305	Defined_Atom_Stereo_Count	0
3706	Defined_Atom_Stereo_Count	0
13271066	Hydrogen_Bond_Acceptor_Count	7
2603	Undefined_Bond_Stereo_Count	0
6918267	Mono_Isotopic_Weight	755.48197664
71234	Undefined_Bond_Stereo_Count	0
11884	TPSA	0
13003788	Undefined_Atom_Stereo_Count	5
4720	TPSA	80.9
12338288	Hydrogen_Bond_Acceptor_Count	1
142059572	XLogP3-AA	1.5
639420	Undefined_Atom_Stereo_Count	0
5241	TPSA	52.9
11069215	Undefined_Bond_Stereo_Count	0
15408	Total_Formal_Charge	0
66942740	Isotope_Atom_Count	0
3928	XLogP3	0.2
15418402	Rotatable_Bond_Count	0
3829279	Isotope_Atom_Count	0
20262675	Exact_Mass	112.052429494
10031812	Exact_Mass	620.33089573
9852904	Structure_Complexity	1160
5361202	Structure_Complexity	798
2782524	XLogP3-AA	1
5284514	Exact_Mass	348.183778013
53762327	Defined_Bond_Stereo_Count	0
154825180	Undefined_Bond_Stereo_Count	0
15567	Defined_Bond_Stereo_Count	0
91617740	XLogP3-AA	4.4
123558404	Rotatable_Bond_Count	1
387	Isotope_Atom_Count	0
13382623	Exact_Mass	106.053098200
104730	Defined_Atom_Stereo_Count	0
122760	Exact_Mass	116.01566732
5281810	Tautomer_Count	10
126830	TPSA	46.5
317	Defined_Atom_Stereo_Count	0
91847008	Covalent_Unit_Count	1
680429	Molecular_Weight	338.4
8264	Mono_Isotopic_Weight	154.06712817
580566	Covalent_Unit_Count	1
5965	Covalent_Unit_Count	3
10997105	Undefined_Bond_Stereo_Count	0
55285	XLogP3-AA	4.9
54360	Non-hydrogen_Atom_Count	28
9870652	XLogP3-AA	3.5
22178220	Non-hydrogen_Atom_Count	15
25074887	Tautomer_Count	996
17753867	Hydrogen_Bond_Donor_Count	1
9909392	Hydrogen_Bond_Donor_Count	2
5284506	Hydrogen_Bond_Donor_Count	0
6722	Isotope_Atom_Count	0
56835143	Hydrogen_Bond_Donor_Count	3
38884	Total_Formal_Charge	0
1499	XLogP3-AA	3.4
72551585	Defined_Bond_Stereo_Count	0
70099	Undefined_Atom_Stereo_Count	0
21875354	XLogP3-AA	4.4
138107735	Defined_Bond_Stereo_Count	0
23450	TPSA	63.3
75791	XLogP3	1.2
188966	Defined_Bond_Stereo_Count	0
58992	Defined_Atom_Stereo_Count	1
5319022	Defined_Bond_Stereo_Count	1
893322	Isotope_Atom_Count	0
56643420	Hydrogen_Bond_Acceptor_Count	4
40998	Mono_Isotopic_Weight	409.1422784
4314	Covalent_Unit_Count	1
54014389	Defined_Atom_Stereo_Count	0
6921705	Rotatable_Bond_Count	2
172307	Hydrogen_Bond_Donor_Count	1
50925625	Isotope_Atom_Count	0
33613	Rotatable_Bond_Count	4
10267	Undefined_Bond_Stereo_Count	0
57642398	Undefined_Atom_Stereo_Count	0
14535398	Hydrogen_Bond_Acceptor_Count	2
123609380	Exact_Mass	94.078250319
91420197	Undefined_Bond_Stereo_Count	0
715568	Total_Formal_Charge	0
705487	XLogP3-AA	4.4
7160	Defined_Atom_Stereo_Count	0
160280695	Hydrogen_Bond_Donor_Count	0
156614100	Non-hydrogen_Atom_Count	22
72652	XLogP3-AA	3.2
5083	Covalent_Unit_Count	1
23687810	Defined_Bond_Stereo_Count	0
16084	Defined_Atom_Stereo_Count	0
2582	Rotatable_Bond_Count	5
26235	XLogP3-AA	4.6
450268	Non-hydrogen_Atom_Count	14
681110	Isotope_Atom_Count	0
137759	Molecular_Weight	161.20
69111	Defined_Atom_Stereo_Count	0
12695795	Defined_Atom_Stereo_Count	0
21333560	Total_Formal_Charge	0
99129	XLogP3-AA	0.1
537396	Defined_Bond_Stereo_Count	0
2105	Undefined_Bond_Stereo_Count	0
66558664	Non-hydrogen_Atom_Count	42
102003559	Exact_Mass	1438.56054879
3595299	Mono_Isotopic_Weight	117.042593085
92249	Molecular_Weight	175.18
44310436	Covalent_Unit_Count	1
4743	Undefined_Atom_Stereo_Count	7
1715	Tautomer_Count	1
54887	Hydrogen_Bond_Donor_Count	4
10018576	Defined_Atom_Stereo_Count	0
57404185	Hydrogen_Bond_Donor_Count	1
18624857	Hydrogen_Bond_Acceptor_Count	2
87869	TPSA	213
5359563	Structure_Complexity	282
5483631	Undefined_Atom_Stereo_Count	0
91089723	Total_Formal_Charge	0
12739589	TPSA	26.3
9875516	Defined_Atom_Stereo_Count	7
11182575	TPSA	9.2
6444834	Hydrogen_Bond_Acceptor_Count	6
10214	Undefined_Bond_Stereo_Count	0
102821	Molecular_Weight	423.7
6604492	Molecular_Weight	525.6
13082452	XLogP3-AA	1
11628328	Exact_Mass	566.23048886
16216349	Defined_Bond_Stereo_Count	0
216261	Covalent_Unit_Count	1
8307	Exact_Mass	201.0920418
79834	Defined_Atom_Stereo_Count	0
22646212	Undefined_Bond_Stereo_Count	0
4298216	Non-hydrogen_Atom_Count	6
56658436	Non-hydrogen_Atom_Count	25
13037720	Hydrogen_Bond_Donor_Count	3
23216963	Rotatable_Bond_Count	2
1302	Exact_Mass	230.094294304
70884982	Total_Formal_Charge	0
13808253	Covalent_Unit_Count	1
23551636	Total_Formal_Charge	0
45117185	Mono_Isotopic_Weight	208.109944368
123859265	Isotope_Atom_Count	0
527	Hydrogen_Bond_Acceptor_Count	1
15031772	Rotatable_Bond_Count	0
1329	Structure_Complexity	436
516	Defined_Bond_Stereo_Count	0
25875	Undefined_Bond_Stereo_Count	0
49856296	Hydrogen_Bond_Donor_Count	2
5284607	Structure_Complexity	696
44263853	Mono_Isotopic_Weight	966.28524644
25114553	Structure_Complexity	665
26133	Structure_Complexity	817
54586718	Defined_Bond_Stereo_Count	0
11503972	Structure_Complexity	535
63255	XLogP3	2.9
545963	Rotatable_Bond_Count	53
590581	Hydrogen_Bond_Donor_Count	0
11768526	Total_Formal_Charge	0
2267	Mono_Isotopic_Weight	381.1607901
74062	Rotatable_Bond_Count	0
17691	Isotope_Atom_Count	0
24873277	XLogP3-AA	3
26613	Total_Formal_Charge	0
5506	Hydrogen_Bond_Acceptor_Count	2
5480431	Hydrogen_Bond_Donor_Count	5
13388323	Exact_Mass	112.03851076
219081	Defined_Atom_Stereo_Count	0
14251035	TPSA	35.5
7057961	Defined_Bond_Stereo_Count	0
10331863	XLogP3-AA	3.1
9875516	Defined_Bond_Stereo_Count	0
50925541	Mono_Isotopic_Weight	405.1277759
21996	Defined_Bond_Stereo_Count	0
3792	TPSA	60
31288	Undefined_Atom_Stereo_Count	0
130429734	Covalent_Unit_Count	1
3082042	Mono_Isotopic_Weight	930.50757173
8042	Defined_Atom_Stereo_Count	0
16741878	Rotatable_Bond_Count	15
143552208	Defined_Bond_Stereo_Count	0
69657	Total_Formal_Charge	0
16048558	Undefined_Bond_Stereo_Count	0
24978538	XLogP3-AA	9.6
64950	Undefined_Bond_Stereo_Count	0
72157	Non-hydrogen_Atom_Count	18
28094582	Isotope_Atom_Count	0
5357258	Structure_Complexity	44
42153	Isotope_Atom_Count	0
31070	Exact_Mass	303.10580174
18614	Total_Formal_Charge	0
54192233	Exact_Mass	143.131014166
139030973	Defined_Bond_Stereo_Count	0
4978638	Defined_Bond_Stereo_Count	0
1101	Non-hydrogen_Atom_Count	12
10343454	Mono_Isotopic_Weight	444.0910560
15558638	TPSA	43.4
60478	Exact_Mass	312.0665554
13463260	Defined_Atom_Stereo_Count	0
1302	Total_Formal_Charge	0
444863	Exact_Mass	164.06847348
20729555	Undefined_Bond_Stereo_Count	0
53494972	Rotatable_Bond_Count	3
71309905	Non-hydrogen_Atom_Count	12
2740171	TPSA	41.9
5361919	Defined_Bond_Stereo_Count	1
22643208	Exact_Mass	456.1265505
2733797	Defined_Atom_Stereo_Count	5
5364079	Rotatable_Bond_Count	3
110373	Non-hydrogen_Atom_Count	8
12848394	Isotope_Atom_Count	0
135968625	Structure_Complexity	1730
447877	Rotatable_Bond_Count	28
7902	Hydrogen_Bond_Acceptor_Count	2
140334	Tautomer_Count	1
62080	Undefined_Bond_Stereo_Count	0
2210	Hydrogen_Bond_Acceptor_Count	4
12694695	Isotope_Atom_Count	0
86422	Tautomer_Count	1
51397515	Non-hydrogen_Atom_Count	37
70789197	Defined_Bond_Stereo_Count	0
4156734	Defined_Bond_Stereo_Count	0
24144	Molecular_Weight	388.5
2341	Tautomer_Count	1
9548659	Defined_Atom_Stereo_Count	0
92303	TPSA	6.5
168870	Structure_Complexity	1210
3269	Defined_Bond_Stereo_Count	0
2725002	Defined_Bond_Stereo_Count	0
54677946	Defined_Atom_Stereo_Count	0
68624	Total_Formal_Charge	0
22561495	Molecular_Weight	223.31
2832	Non-hydrogen_Atom_Count	27
26470417	Defined_Bond_Stereo_Count	0
511	Undefined_Atom_Stereo_Count	0
80900	Undefined_Atom_Stereo_Count	0
7177	Total_Formal_Charge	0
22181493	Mono_Isotopic_Weight	96.068748264
169607	Undefined_Atom_Stereo_Count	0
162343997	Total_Formal_Charge	0
11779028	Structure_Complexity	472
7351	Total_Formal_Charge	0
6328027	Total_Formal_Charge	0
34148	Undefined_Bond_Stereo_Count	0
83822	Molecular_Weight	388.8
168131	Exact_Mass	251.154823615
91537	Covalent_Unit_Count	1
16213884	Hydrogen_Bond_Acceptor_Count	8
58054368	Total_Formal_Charge	0
138137	Defined_Bond_Stereo_Count	0
90956916	Non-hydrogen_Atom_Count	8
16224	Hydrogen_Bond_Acceptor_Count	1
9886086	Covalent_Unit_Count	1
11316094	Molecular_Weight	419.5
21496049	TPSA	26.3
452949	Defined_Atom_Stereo_Count	8
49831162	Rotatable_Bond_Count	6
13272656	Total_Formal_Charge	0
11240435	Total_Formal_Charge	0
23695324	Tautomer_Count	3
6321340	Undefined_Atom_Stereo_Count	0
656842	Structure_Complexity	629
391144	Hydrogen_Bond_Donor_Count	2
4781	Covalent_Unit_Count	1
92389	Exact_Mass	264.0301698
5491989	Undefined_Atom_Stereo_Count	0
9690122	Exact_Mass	292.0146493
298391	Undefined_Bond_Stereo_Count	0
250074	Mono_Isotopic_Weight	166.062994177
117715670	Total_Formal_Charge	0
44412186	XLogP3-AA	4.1
140655119	Hydrogen_Bond_Donor_Count	1
10102	Rotatable_Bond_Count	0
69275	Isotope_Atom_Count	0
21880519	Undefined_Bond_Stereo_Count	0
21859	Hydrogen_Bond_Donor_Count	1
522002	Defined_Atom_Stereo_Count	0
442424	TPSA	76
67156338	Total_Formal_Charge	0
20055121	Covalent_Unit_Count	1
24864463	Rotatable_Bond_Count	3
3062316	Undefined_Bond_Stereo_Count	0
6344	Total_Formal_Charge	0
42470	TPSA	29.5
77687	Undefined_Atom_Stereo_Count	0
98648	Tautomer_Count	1
9957090	Hydrogen_Bond_Acceptor_Count	8
57136075	Molecular_Weight	97.16
10178705	XLogP3-AA	1.1
16129690	Rotatable_Bond_Count	40
42552711	Exact_Mass	342.11621151
23663409	Undefined_Bond_Stereo_Count	0
107994	Structure_Complexity	619
2340	Undefined_Atom_Stereo_Count	4
6436173	Molecular_Weight	785.9
69270	TPSA	46.3
21417010	Hydrogen_Bond_Donor_Count	4
97959	XLogP3-AA	2.2
5003059	Defined_Bond_Stereo_Count	0
61627	Defined_Atom_Stereo_Count	0
67151	Mono_Isotopic_Weight	174.136827821
10685477	Structure_Complexity	383
16659681	Undefined_Bond_Stereo_Count	0
49783923	Defined_Atom_Stereo_Count	2
10324367	XLogP3-AA	3.1
66908038	Defined_Atom_Stereo_Count	0
3939	Structure_Complexity	2
91693	Rotatable_Bond_Count	5
558889	TPSA	32.8
6492	Undefined_Bond_Stereo_Count	0
165157	Molecular_Weight	887.0
12598086	Hydrogen_Bond_Donor_Count	5
53436345	Total_Formal_Charge	0
1487118	Mono_Isotopic_Weight	348.05800624
10964479	Defined_Bond_Stereo_Count	0
12285868	Total_Formal_Charge	0
2155	Exact_Mass	100.00951931
16667730	Non-hydrogen_Atom_Count	58
53356659	Structure_Complexity	1580
11565240	TPSA	74.5
19851301	Undefined_Atom_Stereo_Count	0
71571512	Mono_Isotopic_Weight	527.23263824
5362125	Mono_Isotopic_Weight	509.98517151
42602097	Undefined_Atom_Stereo_Count	1
18402	Rotatable_Bond_Count	4
13204363	Non-hydrogen_Atom_Count	6
64862	Undefined_Bond_Stereo_Count	0
13107533	Molecular_Weight	102.13
491022	Non-hydrogen_Atom_Count	37
41170	Tautomer_Count	1
236566	Hydrogen_Bond_Acceptor_Count	3
196445	Undefined_Atom_Stereo_Count	0
605461	Hydrogen_Bond_Acceptor_Count	2
11626384	Molecular_Weight	441.9
97754	Hydrogen_Bond_Acceptor_Count	2
135424747	Undefined_Bond_Stereo_Count	0
25403	Hydrogen_Bond_Donor_Count	0
13359319	Mono_Isotopic_Weight	114.104465066
13195064	Rotatable_Bond_Count	0
16217359	Rotatable_Bond_Count	0
14791281	Mono_Isotopic_Weight	180.115029749
130285	TPSA	42
317061	Covalent_Unit_Count	1
12248518	Isotope_Atom_Count	0
19338	Structure_Complexity	241
39042	Molecular_Weight	361.8
10374	Defined_Atom_Stereo_Count	0
13200	TPSA	20.2
9820034	Non-hydrogen_Atom_Count	26
23662354	Hydrogen_Bond_Acceptor_Count	4
22224160	Exact_Mass	106.078250319
252198	Defined_Bond_Stereo_Count	0
295042	Defined_Atom_Stereo_Count	0
66260	Isotope_Atom_Count	0
14324660	Defined_Atom_Stereo_Count	0
156460742	Rotatable_Bond_Count	3
56955180	Undefined_Bond_Stereo_Count	0
123336	Undefined_Bond_Stereo_Count	0
15402	Defined_Bond_Stereo_Count	0
19155	Mono_Isotopic_Weight	82.9983460
73272	Hydrogen_Bond_Donor_Count	2
139062654	Rotatable_Bond_Count	4
8857	XLogP3	0.7
9889200	Mono_Isotopic_Weight	395.09397721
133264	Total_Formal_Charge	0
135412736	Tautomer_Count	1
183811	Non-hydrogen_Atom_Count	32
78858	Total_Formal_Charge	0
11966129	Structure_Complexity	1680
162344865	Covalent_Unit_Count	2
65388	Mono_Isotopic_Weight	171.08820061
21158442	Covalent_Unit_Count	1
688570	Structure_Complexity	284
140291701	Defined_Bond_Stereo_Count	0
99828	Non-hydrogen_Atom_Count	15
16003	Defined_Atom_Stereo_Count	0
20259185	Rotatable_Bond_Count	0
67105	Hydrogen_Bond_Acceptor_Count	2
6525	Covalent_Unit_Count	1
13246	TPSA	17.1
14577080	Molecular_Weight	285.8
31117	Defined_Bond_Stereo_Count	0
25079425	Tautomer_Count	996
23479	TPSA	12
9939927	Mono_Isotopic_Weight	700.32788900
91526	TPSA	65.6
66255	XLogP3-AA	3.8
221511	Defined_Bond_Stereo_Count	0
4713	Undefined_Atom_Stereo_Count	0
21144838	Undefined_Atom_Stereo_Count	1
12017	Undefined_Bond_Stereo_Count	0
108938	Total_Formal_Charge	0
84002	Exact_Mass	268.06953611
6330188	Undefined_Atom_Stereo_Count	0
129635186	Structure_Complexity	955
57401194	Molecular_Weight	420.6
136212897	Isotope_Atom_Count	0
38771	Structure_Complexity	175
12638	TPSA	29.3
53998308	Undefined_Atom_Stereo_Count	0
44319	XLogP3-AA	5.6
45073437	Hydrogen_Bond_Acceptor_Count	2
8419	Undefined_Atom_Stereo_Count	0
1714204	Total_Formal_Charge	0
23397	Non-hydrogen_Atom_Count	14
6429113	Total_Formal_Charge	0
24180686	Rotatable_Bond_Count	17
23114997	Exact_Mass	100.088815002
122623	Non-hydrogen_Atom_Count	24
23676152	Total_Formal_Charge	0
54360	Molecular_Weight	418.4
65427	Rotatable_Bond_Count	1
159661	Covalent_Unit_Count	2
44590445	Isotope_Atom_Count	0
38464	XLogP3-AA	2.3
25015691	Molecular_Weight	504.6
12406682	Molecular_Weight	79.10
11719190	Undefined_Atom_Stereo_Count	0
66070288	Rotatable_Bond_Count	2
9797657	Hydrogen_Bond_Donor_Count	1
95299	Rotatable_Bond_Count	3
78361	Defined_Bond_Stereo_Count	0
16627	Hydrogen_Bond_Acceptor_Count	2
118161592	Covalent_Unit_Count	1
11029889	Covalent_Unit_Count	1
3033637	Non-hydrogen_Atom_Count	21
61285	Hydrogen_Bond_Donor_Count	1
701808	Defined_Atom_Stereo_Count	1
441141	Hydrogen_Bond_Donor_Count	19
10431444	Covalent_Unit_Count	1
11083833	Undefined_Atom_Stereo_Count	0
101611446	Defined_Atom_Stereo_Count	5
548787	Structure_Complexity	127
1261	Mono_Isotopic_Weight	327.1278028
59755737	Covalent_Unit_Count	1
136224833	Non-hydrogen_Atom_Count	69
4662	Molecular_Weight	833.4
13531445	Hydrogen_Bond_Acceptor_Count	2
46795	Exact_Mass	301.06774
3000226	Isotope_Atom_Count	0
3917956	Structure_Complexity	134
5152771	Covalent_Unit_Count	1
24450	Molecular_Weight	174.176
44560574	Mono_Isotopic_Weight	422.10824754
13573815	Undefined_Atom_Stereo_Count	2
21481285	Defined_Atom_Stereo_Count	0
118210121	Isotope_Atom_Count	0
59296039	Covalent_Unit_Count	1
818256	Undefined_Bond_Stereo_Count	0
4937	Exact_Mass	229.1094232
20692458	Covalent_Unit_Count	1
194383	Hydrogen_Bond_Acceptor_Count	11
36870	Mono_Isotopic_Weight	343.9628144
53670643	Mono_Isotopic_Weight	114.042927438
135435111	Defined_Atom_Stereo_Count	4
71308696	Isotope_Atom_Count	0
7067874	Rotatable_Bond_Count	5
18545678	Non-hydrogen_Atom_Count	7
68414798	Molecular_Weight	387.4
10460	Undefined_Atom_Stereo_Count	0
100930731	Molecular_Weight	96.13
6918235	Undefined_Bond_Stereo_Count	0
466	Exact_Mass	260.02971899
20589301	Molecular_Weight	96.13
9941306	Defined_Atom_Stereo_Count	9
1780	TPSA	37.3
135565472	Structure_Complexity	1050
44760	Exact_Mass	450.1743917
9804302	Hydrogen_Bond_Acceptor_Count	9
21929	Molecular_Weight	237.64
58992	Tautomer_Count	3
81102	Exact_Mass	236.14124450
3885	Mono_Isotopic_Weight	242.094294304
5375199	Exact_Mass	264.13615911
6276	Hydrogen_Bond_Acceptor_Count	1
131740853	Total_Formal_Charge	0
21131860	Undefined_Bond_Stereo_Count	0
3309	Total_Formal_Charge	0
44246477	Structure_Complexity	382
611834	Rotatable_Bond_Count	1
97783	XLogP3-AA	4.2
21058	Rotatable_Bond_Count	6
3635	Undefined_Bond_Stereo_Count	0
53260965	Defined_Atom_Stereo_Count	0
5356544	Total_Formal_Charge	0
375814	Isotope_Atom_Count	0
64628	Tautomer_Count	3
91688	Defined_Atom_Stereo_Count	0
59792626	Defined_Atom_Stereo_Count	0
24961094	Isotope_Atom_Count	0
5351447	TPSA	124
15530	Tautomer_Count	1
154826	Exact_Mass	339.16708015
11801	Non-hydrogen_Atom_Count	17
23674995	Non-hydrogen_Atom_Count	33
20194949	Covalent_Unit_Count	1
135643052	Mono_Isotopic_Weight	224.07970687
852933	Structure_Complexity	490
441332	Covalent_Unit_Count	1
57013	XLogP3-AA	3.8
869	Hydrogen_Bond_Donor_Count	10
162652	Non-hydrogen_Atom_Count	13
62870	Undefined_Bond_Stereo_Count	0
54583932	Defined_Atom_Stereo_Count	1
5362129	Isotope_Atom_Count	0
84647614	Structure_Complexity	53.7
71672	Covalent_Unit_Count	2
129866213	Total_Formal_Charge	0
91857355	Mono_Isotopic_Weight	342.11621151
147305619	Undefined_Atom_Stereo_Count	3
2723816	Defined_Atom_Stereo_Count	0
54217227	Defined_Bond_Stereo_Count	0
87642220	Hydrogen_Bond_Acceptor_Count	11
14057	Structure_Complexity	89.2
46724	XLogP3-AA	2.6
91100506	Rotatable_Bond_Count	1
4915	Mono_Isotopic_Weight	221.152812238
138971	Hydrogen_Bond_Acceptor_Count	0
6161490	Isotope_Atom_Count	0
16295	Mono_Isotopic_Weight	148.125200510
12374	Undefined_Atom_Stereo_Count	0
14626842	Hydrogen_Bond_Donor_Count	2
67797735	Molecular_Weight	339.4
59119	Non-hydrogen_Atom_Count	22
9802542	Exact_Mass	426.19197371
70695705	Covalent_Unit_Count	1
3068367	Defined_Bond_Stereo_Count	0
21150622	Defined_Atom_Stereo_Count	0
130145308	Covalent_Unit_Count	1
288862	Hydrogen_Bond_Acceptor_Count	0
199677	Non-hydrogen_Atom_Count	8
96299	Rotatable_Bond_Count	1
13709	Non-hydrogen_Atom_Count	16
64085466	Isotope_Atom_Count	0
89504167	Total_Formal_Charge	0
3064224	Undefined_Bond_Stereo_Count	0
44630475	Mono_Isotopic_Weight	399.06814
9826528	Rotatable_Bond_Count	7
20056430	Defined_Atom_Stereo_Count	0
701542	TPSA	37.4
19065601	Isotope_Atom_Count	0
662	Total_Formal_Charge	0
12933280	Undefined_Bond_Stereo_Count	0
520352	XLogP3	1.3
62280	Rotatable_Bond_Count	15
219078	Rotatable_Bond_Count	6
16123056	Mono_Isotopic_Weight	270.12290909
101915880	Exact_Mass	528.9651382
6025	Structure_Complexity	276
657181	Defined_Bond_Stereo_Count	0
63624	Undefined_Atom_Stereo_Count	0
23465004	TPSA	20.2
131451243	Molecular_Weight	95.10
86876	Molecular_Weight	168.19
544180	Exact_Mass	112.125200510
70810	XLogP3	1.2
154544	Non-hydrogen_Atom_Count	17
6619	XLogP3-AA	6.5
83976	Exact_Mass	908.4471039
12389638	Undefined_Atom_Stereo_Count	0
54751657	Exact_Mass	493.1615779
10895	Covalent_Unit_Count	1
11675994	Defined_Bond_Stereo_Count	0
66162	Isotope_Atom_Count	0
5483847	Defined_Atom_Stereo_Count	1
22678982	Hydrogen_Bond_Acceptor_Count	6
104842	Hydrogen_Bond_Acceptor_Count	6
383414	Total_Formal_Charge	0
6400271	Total_Formal_Charge	0
54753	TPSA	32.3
216466	Non-hydrogen_Atom_Count	30
74325379	Covalent_Unit_Count	1
71517869	Non-hydrogen_Atom_Count	34
5280448	Structure_Complexity	432
163090689	Undefined_Bond_Stereo_Count	0
10820564	Defined_Atom_Stereo_Count	0
1993	TPSA	26.3
5072	Hydrogen_Bond_Donor_Count	1
6493	Mono_Isotopic_Weight	102.104465066
100969894	Isotope_Atom_Count	0
28183	Molecular_Weight	316.22
446157	Molecular_Weight	481.5
13583	TPSA	26
84063982	TPSA	33
16726085	Isotope_Atom_Count	0
9878679	Exact_Mass	275.07284784
129760006	Total_Formal_Charge	0
89306	Exact_Mass	210.161979940
160434	Structure_Complexity	118
2724054	Non-hydrogen_Atom_Count	31
10224595	Defined_Bond_Stereo_Count	0
5102	Undefined_Bond_Stereo_Count	0
3239844	Undefined_Bond_Stereo_Count	0
49849621	Defined_Bond_Stereo_Count	1
123298319	Defined_Atom_Stereo_Count	0
51029782	Hydrogen_Bond_Donor_Count	0
536111	Undefined_Bond_Stereo_Count	0
134867626	TPSA	83.1
56962336	Rotatable_Bond_Count	10
105000	Isotope_Atom_Count	0
977	Rotatable_Bond_Count	0
87468080	Hydrogen_Bond_Donor_Count	0
11305985	Hydrogen_Bond_Donor_Count	0
20697439	Total_Formal_Charge	0
9798098	Rotatable_Bond_Count	7
6604796	TPSA	70.9
87743	Structure_Complexity	284
31224	Undefined_Bond_Stereo_Count	2
556492	Defined_Bond_Stereo_Count	0
71970	Molecular_Weight	363.4
3345	Structure_Complexity	391
124087	Structure_Complexity	425
533854	XLogP3-AA	0.7
45789889	Structure_Complexity	49.5
153852218	Hydrogen_Bond_Acceptor_Count	2
6438361	Exact_Mass	380.1058333
14008744	Covalent_Unit_Count	1
8275	TPSA	75.3
44578615	Isotope_Atom_Count	0
13248942	Molecular_Weight	114.17
7191	Defined_Atom_Stereo_Count	0
190	Covalent_Unit_Count	1
12933420	Mono_Isotopic_Weight	83.048347172
19604021	Molecular_Weight	98.15
491728	Structure_Complexity	553
535479	TPSA	26.8
54682507	Exact_Mass	324.09977361
99057	Isotope_Atom_Count	0
136585	Covalent_Unit_Count	1
37153	Isotope_Atom_Count	0
36858	Defined_Atom_Stereo_Count	0
839611	Molecular_Weight	313.35
12270430	Hydrogen_Bond_Donor_Count	0
11105340	Undefined_Bond_Stereo_Count	0
18336916	Covalent_Unit_Count	1
57782	Non-hydrogen_Atom_Count	20
58481202	TPSA	190
88212048	Molecular_Weight	118.13
4619	Defined_Atom_Stereo_Count	0
5361848	Hydrogen_Bond_Acceptor_Count	10
11859	Covalent_Unit_Count	1
58	Non-hydrogen_Atom_Count	7
10158453	Undefined_Bond_Stereo_Count	0
9868037	Rotatable_Bond_Count	6
54368808	Defined_Bond_Stereo_Count	0
178080	Molecular_Weight	361.4
24848235	Undefined_Bond_Stereo_Count	0
44338967	XLogP3-AA	2.4
95770	Total_Formal_Charge	0
97337	Isotope_Atom_Count	0
44758	Undefined_Atom_Stereo_Count	0
71793	Defined_Atom_Stereo_Count	0
13198436	Defined_Atom_Stereo_Count	0
49389	Exact_Mass	273.0556563
43057	Hydrogen_Bond_Donor_Count	1
72388	Total_Formal_Charge	0
15158	Mono_Isotopic_Weight	161.9404218
20334570	Total_Formal_Charge	0
11673085	Covalent_Unit_Count	2
16375	XLogP3	0.3
134495	Rotatable_Bond_Count	6
17581	Undefined_Atom_Stereo_Count	0
544629	Hydrogen_Bond_Acceptor_Count	1
67849	Hydrogen_Bond_Donor_Count	0
136437	Total_Formal_Charge	0
44093	Non-hydrogen_Atom_Count	14
64689	Hydrogen_Bond_Acceptor_Count	6
22020874	Hydrogen_Bond_Donor_Count	0
21721015	Rotatable_Bond_Count	0
72207311	Structure_Complexity	66.5
5330472	Exact_Mass	365.13755610
60154326	Non-hydrogen_Atom_Count	24
71363036	Exact_Mass	801.34907
24401	Mono_Isotopic_Weight	118.917702
92032367	Defined_Atom_Stereo_Count	0
37767	TPSA	104
444144	Hydrogen_Bond_Acceptor_Count	7
14010333	Non-hydrogen_Atom_Count	23
23702	Hydrogen_Bond_Donor_Count	5
643976	Covalent_Unit_Count	1
23158108	Structure_Complexity	51.9
6025	Covalent_Unit_Count	1
5964319	Defined_Bond_Stereo_Count	1
20062234	Rotatable_Bond_Count	0
123934238	Hydrogen_Bond_Donor_Count	1
11957587	Total_Formal_Charge	0
5356	TPSA	114
15686	TPSA	43.4
134819268	Hydrogen_Bond_Donor_Count	7
117853562	Structure_Complexity	113
686752	Non-hydrogen_Atom_Count	18
68741	Mono_Isotopic_Weight	399.27734404
10857507	Rotatable_Bond_Count	3
118388029	Hydrogen_Bond_Donor_Count	0
7111	TPSA	52
2769656	Covalent_Unit_Count	1
755373	Molecular_Weight	276.29
60149	Mono_Isotopic_Weight	440.1779173
141053308	Molecular_Weight	100.12
15808	Exact_Mass	206.167065321
42761	Isotope_Atom_Count	0
135405908	Total_Formal_Charge	0
17778411	Undefined_Bond_Stereo_Count	0
98685	Undefined_Bond_Stereo_Count	0
12306254	Non-hydrogen_Atom_Count	7
62108	Non-hydrogen_Atom_Count	32
70701092	Hydrogen_Bond_Acceptor_Count	3
9286	Molecular_Weight	195.24
74346	Defined_Atom_Stereo_Count	0
23665410	Defined_Bond_Stereo_Count	0
570673	Non-hydrogen_Atom_Count	15
19390240	Undefined_Atom_Stereo_Count	0
11151622	Defined_Bond_Stereo_Count	1
3427828	Non-hydrogen_Atom_Count	19
7348	Non-hydrogen_Atom_Count	19
15130831	Mono_Isotopic_Weight	356.1422188
34624	Mono_Isotopic_Weight	295.157228913
44251266	Undefined_Bond_Stereo_Count	0
5702114	Isotope_Atom_Count	0
48289	Non-hydrogen_Atom_Count	20
54477013	Mono_Isotopic_Weight	704.53560641
44310743	Total_Formal_Charge	0
87280891	Undefined_Bond_Stereo_Count	0
138059757	Defined_Bond_Stereo_Count	0
49865859	XLogP3-AA	3.5
49865355	Defined_Bond_Stereo_Count	0
24900874	Hydrogen_Bond_Acceptor_Count	7
135398627	Tautomer_Count	9
16220061	Rotatable_Bond_Count	12
12200	Structure_Complexity	141
12077828	Structure_Complexity	454
6918840	Defined_Bond_Stereo_Count	0
1815	Molecular_Weight	417.28
23418	Undefined_Atom_Stereo_Count	0
60785	TPSA	52.2
14681325	Undefined_Atom_Stereo_Count	1
3058503	Isotope_Atom_Count	0
13437344	Total_Formal_Charge	0
6713	Hydrogen_Bond_Acceptor_Count	5
14222	Defined_Atom_Stereo_Count	0
45139106	TPSA	153
991	XLogP3	3.8
3651	Total_Formal_Charge	0
21339024	Undefined_Atom_Stereo_Count	3
542158	Non-hydrogen_Atom_Count	34
44134815	Hydrogen_Bond_Donor_Count	5
24972597	Rotatable_Bond_Count	1
311434	Hydrogen_Bond_Donor_Count	2
1652	Defined_Bond_Stereo_Count	0
71675	Rotatable_Bond_Count	5
1941	Non-hydrogen_Atom_Count	26
1155	Covalent_Unit_Count	1
101895952	Non-hydrogen_Atom_Count	34
5713976	Hydrogen_Bond_Acceptor_Count	3
7572	Rotatable_Bond_Count	4
71462510	Defined_Atom_Stereo_Count	0
38255	Mono_Isotopic_Weight	387.818595
118978207	Defined_Bond_Stereo_Count	0
146158568	Mono_Isotopic_Weight	527.23263824
162501	Isotope_Atom_Count	0
613365	Defined_Atom_Stereo_Count	0
53245646	Mono_Isotopic_Weight	453.20524173
53881088	Undefined_Bond_Stereo_Count	0
119418	Undefined_Atom_Stereo_Count	0
68741938	Total_Formal_Charge	0
54267	Rotatable_Bond_Count	2
3653	Hydrogen_Bond_Acceptor_Count	4
108156	Tautomer_Count	1
9848024	Molecular_Weight	480.6
73246	Hydrogen_Bond_Donor_Count	4
9953590	TPSA	82.2
5353593	Non-hydrogen_Atom_Count	20
33751	Total_Formal_Charge	0
136121	Non-hydrogen_Atom_Count	6
6618	Exact_Mass	543.75298
20093425	Defined_Bond_Stereo_Count	0
3542	Isotope_Atom_Count	0
9815578	Exact_Mass	199.074561919
5359853	TPSA	74.6
23327	Mono_Isotopic_Weight	147.05315777
12291440	Undefined_Bond_Stereo_Count	0
762556	Undefined_Atom_Stereo_Count	0
91224654	Exact_Mass	108.093900383
5391	Rotatable_Bond_Count	1
10818	Covalent_Unit_Count	1
4678317	Molecular_Weight	83.09
13652343	Mono_Isotopic_Weight	899.857932
17882722	Rotatable_Bond_Count	0
21798	Undefined_Atom_Stereo_Count	0
634493	TPSA	0
6649	Structure_Complexity	516
57000164	Exact_Mass	113.011292958
22947	Undefined_Bond_Stereo_Count	0
45085067	Total_Formal_Charge	0
68343260	Undefined_Bond_Stereo_Count	0
1028	Hydrogen_Bond_Acceptor_Count	6
10460376	Structure_Complexity	1060
42095	Molecular_Weight	174.20
45488113	Defined_Bond_Stereo_Count	0
86811257	Hydrogen_Bond_Acceptor_Count	2
82717	TPSA	115
22491624	Total_Formal_Charge	0
274080	Hydrogen_Bond_Donor_Count	4
57131886	Covalent_Unit_Count	1
168263	Exact_Mass	114.068079557
481709	Undefined_Bond_Stereo_Count	0
4306436	Structure_Complexity	436
9325	Hydrogen_Bond_Donor_Count	0
21911205	Undefined_Atom_Stereo_Count	1
13574950	Structure_Complexity	74.1
394156	Hydrogen_Bond_Donor_Count	1
12302648	Total_Formal_Charge	0
2449	Total_Formal_Charge	0
16732313	Isotope_Atom_Count	0
17857	Isotope_Atom_Count	0
123969926	Undefined_Bond_Stereo_Count	0
11569967	Total_Formal_Charge	0
4916	Total_Formal_Charge	0
409347	Non-hydrogen_Atom_Count	20
5289159	Mono_Isotopic_Weight	305.13237409
12376	Defined_Bond_Stereo_Count	0
135566455	Hydrogen_Bond_Donor_Count	5
2779024	Hydrogen_Bond_Acceptor_Count	5
10155136	Exact_Mass	355.13321961
90863456	XLogP3-AA	2.8
14656672	Mono_Isotopic_Weight	86.048012819
70754	Total_Formal_Charge	0
4283	Defined_Atom_Stereo_Count	0
2800612	Defined_Atom_Stereo_Count	0
144404363	TPSA	46.3
20141332	Isotope_Atom_Count	0
52576	Covalent_Unit_Count	1
529	Defined_Atom_Stereo_Count	0
4912	TPSA	91.1
94508	Isotope_Atom_Count	0
13883023	Mono_Isotopic_Weight	1483.406877
44565798	Undefined_Bond_Stereo_Count	0
12905096	Covalent_Unit_Count	1
735319	Rotatable_Bond_Count	1
6971007	Total_Formal_Charge	0
3680	Isotope_Atom_Count	0
71530	XLogP3-AA	3.8
91176619	Defined_Bond_Stereo_Count	0
88462	Covalent_Unit_Count	1
10319630	Structure_Complexity	473
319715	Undefined_Atom_Stereo_Count	2
104234	Molecular_Weight	299.4
10336591	Defined_Bond_Stereo_Count	0
178024	Rotatable_Bond_Count	8
10091748	Defined_Atom_Stereo_Count	0
91759	Isotope_Atom_Count	0
822315	Mono_Isotopic_Weight	272.11206962
4219798	Molecular_Weight	289.31
5377791	Tautomer_Count	1
4479	Exact_Mass	748.17446246
7385	Undefined_Bond_Stereo_Count	0
21417010	Structure_Complexity	146
97383	Defined_Bond_Stereo_Count	0
121850	Defined_Bond_Stereo_Count	0
45116669	Hydrogen_Bond_Donor_Count	1
10160238	Structure_Complexity	471
76646	Undefined_Bond_Stereo_Count	0
17755052	Molecular_Weight	513.6
346327	Defined_Atom_Stereo_Count	0
9829162	Hydrogen_Bond_Acceptor_Count	6
11779772	Covalent_Unit_Count	2
55400	XLogP3-AA	8.6
66025	Mono_Isotopic_Weight	151.063328530
21484	Undefined_Atom_Stereo_Count	0
6159	Exact_Mass	317.21549268
10074640	Tautomer_Count	48
74320	Molecular_Weight	412.95
40691	Tautomer_Count	1
214804	Undefined_Atom_Stereo_Count	2
5702132	Non-hydrogen_Atom_Count	18
443046	Undefined_Atom_Stereo_Count	3
6637	Covalent_Unit_Count	1
12298391	Defined_Atom_Stereo_Count	0
2583694	Isotope_Atom_Count	0
735319	Undefined_Bond_Stereo_Count	0
98397	Structure_Complexity	294
87663190	Undefined_Bond_Stereo_Count	0
216416	Hydrogen_Bond_Acceptor_Count	3
3653077	Structure_Complexity	432
71530	Total_Formal_Charge	1
23260879	Non-hydrogen_Atom_Count	8
8011	Exact_Mass	71.037113783
91065259	Rotatable_Bond_Count	0
6433266	Hydrogen_Bond_Donor_Count	3
278564	Undefined_Bond_Stereo_Count	0
18868	Hydrogen_Bond_Donor_Count	1
347271	Total_Formal_Charge	0
53436345	Non-hydrogen_Atom_Count	7
11382710	Non-hydrogen_Atom_Count	24
22611003	Hydrogen_Bond_Acceptor_Count	4
4228493	Defined_Bond_Stereo_Count	0
11020241	Isotope_Atom_Count	0
9820034	Undefined_Atom_Stereo_Count	0
7923	Hydrogen_Bond_Acceptor_Count	3
296732	Mono_Isotopic_Weight	220.100048391
29352	Exact_Mass	152.083729621
138024	Defined_Atom_Stereo_Count	0
92381	Tautomer_Count	1
211468	Isotope_Atom_Count	0
7715	Tautomer_Count	1
848667	Defined_Atom_Stereo_Count	0
4783	Rotatable_Bond_Count	10
7413	Hydrogen_Bond_Acceptor_Count	2
26442	Molecular_Weight	339.72
14294229	Undefined_Bond_Stereo_Count	0
83996	Total_Formal_Charge	0
60150204	Defined_Bond_Stereo_Count	0
71720884	Rotatable_Bond_Count	4
21325324	Structure_Complexity	94.5
15816	Hydrogen_Bond_Donor_Count	2
27119	Non-hydrogen_Atom_Count	14
643208	Rotatable_Bond_Count	6
321937	Defined_Atom_Stereo_Count	0
1515	Molecular_Weight	224.26
12097423	Defined_Bond_Stereo_Count	0
74062	Non-hydrogen_Atom_Count	15
44401271	Undefined_Atom_Stereo_Count	0
11672491	Total_Formal_Charge	0
19888379	Defined_Bond_Stereo_Count	0
17572160	Rotatable_Bond_Count	31
65923	Total_Formal_Charge	0
566685	Total_Formal_Charge	0
9874248	Covalent_Unit_Count	1
527	XLogP3	0.6
156599225	Exact_Mass	490.36582469
40468194	Undefined_Bond_Stereo_Count	0
216454	Undefined_Bond_Stereo_Count	0
140363414	Exact_Mass	102.079312947
108137	Molecular_Weight	277.32
6697	TPSA	17.1
69732358	Isotope_Atom_Count	0
5282433	Undefined_Atom_Stereo_Count	0
5311304	Non-hydrogen_Atom_Count	26
161760	Defined_Atom_Stereo_Count	0
7213685	Rotatable_Bond_Count	0
56256	Mono_Isotopic_Weight	210.06806746
12389638	Hydrogen_Bond_Acceptor_Count	0
2358	Tautomer_Count	3
10946	Defined_Atom_Stereo_Count	0
15110788	Defined_Atom_Stereo_Count	0
139590517	Defined_Bond_Stereo_Count	0
84063983	Hydrogen_Bond_Donor_Count	0
130150721	Hydrogen_Bond_Donor_Count	1
107775	Defined_Atom_Stereo_Count	3
6818	Hydrogen_Bond_Acceptor_Count	4
9889867	XLogP3-AA	2.6
62926	Molecular_Weight	350.4
10462	Rotatable_Bond_Count	3
136657690	Mono_Isotopic_Weight	218.05522346
94355	Total_Formal_Charge	0
130232326	Non-hydrogen_Atom_Count	38
7510	Defined_Atom_Stereo_Count	0
131954609	Total_Formal_Charge	0
75460	Total_Formal_Charge	0
101305714	Exact_Mass	885.48745594
2724248	Molecular_Weight	260.29
3456	Structure_Complexity	440
62330	Molecular_Weight	380.4
3823	Total_Formal_Charge	0
12712037	Defined_Bond_Stereo_Count	0
13707503	Structure_Complexity	101
6420149	Hydrogen_Bond_Acceptor_Count	4
61583	Molecular_Weight	247.33
2336	Undefined_Bond_Stereo_Count	0
90987052	Hydrogen_Bond_Acceptor_Count	0
129636415	TPSA	180
14086017	Isotope_Atom_Count	0
11567	Hydrogen_Bond_Donor_Count	0
25008	Hydrogen_Bond_Donor_Count	0
27428	Non-hydrogen_Atom_Count	14
3898924	Mono_Isotopic_Weight	102.068079557
19077486	Mono_Isotopic_Weight	444.1728319
16036578	Structure_Complexity	506
5318386	XLogP3	1.8
10236005	Mono_Isotopic_Weight	129.042593085
101094784	Non-hydrogen_Atom_Count	28
45039680	Hydrogen_Bond_Acceptor_Count	11
19731	Non-hydrogen_Atom_Count	45
26334	Isotope_Atom_Count	0
82111162	TPSA	23.2
5361463	Molecular_Weight	429.1
135779804	Hydrogen_Bond_Acceptor_Count	5
3082781	Rotatable_Bond_Count	3
62425	Mono_Isotopic_Weight	282.0204996
40846	Molecular_Weight	492.5
90393	Exact_Mass	283.157228913
137319701	Defined_Bond_Stereo_Count	1
11147897	Molecular_Weight	163.13
23349319	Rotatable_Bond_Count	3
22563	Total_Formal_Charge	0
21864369	Tautomer_Count	970
57391458	Hydrogen_Bond_Acceptor_Count	6
77929	Molecular_Weight	220.25
82766	Exact_Mass	114.068079557
21946437	Undefined_Bond_Stereo_Count	0
158786	Hydrogen_Bond_Donor_Count	4
2741000	Hydrogen_Bond_Acceptor_Count	2
53896476	Defined_Bond_Stereo_Count	0
829795	Non-hydrogen_Atom_Count	16
135508048	Covalent_Unit_Count	1
6430518	Undefined_Bond_Stereo_Count	0
119499	Defined_Bond_Stereo_Count	0
550922	Undefined_Bond_Stereo_Count	0
8492	Molecular_Weight	172.57
5310993	Exact_Mass	154.03784206
134692450	Exact_Mass	580.15345715
75518	TPSA	20.2
59814883	Hydrogen_Bond_Acceptor_Count	1
136093	Mono_Isotopic_Weight	97.089149355
105024	Exact_Mass	196.99550
565684	Non-hydrogen_Atom_Count	14
10975533	Non-hydrogen_Atom_Count	7
59904965	Structure_Complexity	0
2741	Hydrogen_Bond_Donor_Count	1
9886249	Mono_Isotopic_Weight	382.13536548
77077	Hydrogen_Bond_Acceptor_Count	0
736282	TPSA	40.5
49721	Hydrogen_Bond_Donor_Count	0
71684354	Exact_Mass	298.12050905
90915688	Mono_Isotopic_Weight	99.104799419
8462	Tautomer_Count	1
14065290	Covalent_Unit_Count	1
24469	Undefined_Atom_Stereo_Count	1
535188	Covalent_Unit_Count	1
88890027	Rotatable_Bond_Count	1
54309225	Covalent_Unit_Count	1
480785	Exact_Mass	424.18858861
66876120	Hydrogen_Bond_Acceptor_Count	2
10176108	Covalent_Unit_Count	1
134826704	Non-hydrogen_Atom_Count	82
11287722	XLogP3-AA	2.7
87110828	Mono_Isotopic_Weight	688.34721450
2890	Exact_Mass	247.12084340
9870	TPSA	51.8
91742	Covalent_Unit_Count	1
2331	Hydrogen_Bond_Acceptor_Count	1
6442842	Non-hydrogen_Atom_Count	29
193994	TPSA	33.6
158797	Exact_Mass	303.1389920
84567	Structure_Complexity	245
601439	Rotatable_Bond_Count	2
134694041	Defined_Atom_Stereo_Count	6
1041	Undefined_Atom_Stereo_Count	4
129095087	Non-hydrogen_Atom_Count	7
449215	Non-hydrogen_Atom_Count	7
193846	Hydrogen_Bond_Donor_Count	6
65979	Hydrogen_Bond_Donor_Count	2
156323004	Total_Formal_Charge	0
76997	Non-hydrogen_Atom_Count	15
44276024	TPSA	55.3
687604	Hydrogen_Bond_Donor_Count	0
22065792	Exact_Mass	71.0304345
3032854	Defined_Bond_Stereo_Count	0
104975	XLogP3-AA	2.6
67528035	Covalent_Unit_Count	1
87161809	Hydrogen_Bond_Donor_Count	1
22564561	Structure_Complexity	113
22475	Rotatable_Bond_Count	11
156391	XLogP3	3.3
28183	Structure_Complexity	340
31263	Defined_Atom_Stereo_Count	0
17174	Hydrogen_Bond_Donor_Count	0
73124	Rotatable_Bond_Count	3
91216087	Defined_Atom_Stereo_Count	0
23994	Structure_Complexity	0
9573395	Total_Formal_Charge	0
9464	TPSA	29.1
53317120	Total_Formal_Charge	0
98810	Rotatable_Bond_Count	5
5107	Exact_Mass	458.23179083
605877	Defined_Bond_Stereo_Count	0
9799518	Structure_Complexity	554
167807	Hydrogen_Bond_Acceptor_Count	4
693946	Structure_Complexity	452
16683028	Tautomer_Count	1
23669619	Undefined_Bond_Stereo_Count	0
5353970	Hydrogen_Bond_Donor_Count	1
44392131	Undefined_Atom_Stereo_Count	0
14026391	Non-hydrogen_Atom_Count	8
2679179	Molecular_Weight	251.3
131700489	Structure_Complexity	337
92965	Non-hydrogen_Atom_Count	19
2256	Isotope_Atom_Count	0
4858	Non-hydrogen_Atom_Count	22
24874	Covalent_Unit_Count	1
640759	XLogP3	1.6
8509	Hydrogen_Bond_Acceptor_Count	2
5209985	Rotatable_Bond_Count	4
85573191	Undefined_Bond_Stereo_Count	0
168623	Total_Formal_Charge	0
68416156	Isotope_Atom_Count	0
36084	Structure_Complexity	296
45214	Hydrogen_Bond_Donor_Count	1
24284832	Mono_Isotopic_Weight	115.063328530
810229	Non-hydrogen_Atom_Count	23
118098295	Hydrogen_Bond_Donor_Count	8
13487685	Non-hydrogen_Atom_Count	7
154225133	Mono_Isotopic_Weight	115.026943022
24840146	Total_Formal_Charge	0
82528	Exact_Mass	280.240230259
41743	Hydrogen_Bond_Acceptor_Count	3
35368	Total_Formal_Charge	0
7065	Hydrogen_Bond_Acceptor_Count	3
43216	TPSA	41.5
2724032	Non-hydrogen_Atom_Count	11
134820103	Rotatable_Bond_Count	11
903168	Mono_Isotopic_Weight	329.0059467
94215	Undefined_Atom_Stereo_Count	1
134693629	Structure_Complexity	140
55291464	Covalent_Unit_Count	1
5280493	TPSA	242
76	Mono_Isotopic_Weight	288.208930132
9874875	Hydrogen_Bond_Donor_Count	1
76971016	TPSA	272
164668700	Structure_Complexity	148
8422	XLogP3	2.5
736351	Defined_Atom_Stereo_Count	0
397	Rotatable_Bond_Count	2
9552077	Rotatable_Bond_Count	0
3593	Structure_Complexity	413
20662793	Isotope_Atom_Count	0
13081	Molecular_Weight	342.9
903069	Molecular_Weight	286.17
870718	Hydrogen_Bond_Acceptor_Count	5
7827	Undefined_Bond_Stereo_Count	0
440927	Tautomer_Count	36
3911	Covalent_Unit_Count	1
16211101	Undefined_Atom_Stereo_Count	0
11062545	Exact_Mass	113.058911855
15757501	Undefined_Bond_Stereo_Count	0
72790	Hydrogen_Bond_Acceptor_Count	4
205970	Undefined_Atom_Stereo_Count	1
3241	Molecular_Weight	249.31
103451287	Undefined_Bond_Stereo_Count	0
9924495	Defined_Atom_Stereo_Count	0
413544	XLogP3-AA	3.2
11670	Mono_Isotopic_Weight	102.104465066
71721420	Covalent_Unit_Count	1
260708	Defined_Atom_Stereo_Count	0
73648	Molecular_Weight	388.4
87035	Mono_Isotopic_Weight	192.126263138
6506	Defined_Atom_Stereo_Count	0
88226977	Undefined_Bond_Stereo_Count	0
93535113	Rotatable_Bond_Count	0
2801745	Total_Formal_Charge	0
543885	Defined_Bond_Stereo_Count	0
222786	Exact_Mass	360.19367399
118984456	Hydrogen_Bond_Acceptor_Count	61
6418719	Isotope_Atom_Count	0
16721	Non-hydrogen_Atom_Count	19
146157761	Defined_Atom_Stereo_Count	3
40652	Defined_Bond_Stereo_Count	0
54712709	Defined_Bond_Stereo_Count	0
11241	Isotope_Atom_Count	0
70978	XLogP3-AA	1
25037407	Structure_Complexity	638
4042	XLogP3	4.1
50112	Undefined_Atom_Stereo_Count	9
154138519	Non-hydrogen_Atom_Count	7
19066	Defined_Atom_Stereo_Count	0
859122	Covalent_Unit_Count	1
20149870	Undefined_Bond_Stereo_Count	0
121639	Defined_Bond_Stereo_Count	0
219020	Total_Formal_Charge	0
62325	Exact_Mass	106.0185425
91599597	Undefined_Bond_Stereo_Count	0
57515833	XLogP3-AA	2
441139	Undefined_Atom_Stereo_Count	1
68840	Total_Formal_Charge	0
12095226	Non-hydrogen_Atom_Count	23
5365811	Mono_Isotopic_Weight	98.073164938
6186	Molecular_Weight	397.4
6918106	Defined_Atom_Stereo_Count	2
12271363	Rotatable_Bond_Count	1
57417230	Hydrogen_Bond_Acceptor_Count	12
9597	Rotatable_Bond_Count	3
58233	Total_Formal_Charge	0
5382853	XLogP3-AA	2.6
77050446	Undefined_Atom_Stereo_Count	0
8816	Undefined_Atom_Stereo_Count	0
16065257	Exact_Mass	428.15584919
7000	XLogP3	1.2
29124	Structure_Complexity	219
146681110	Structure_Complexity	2010
138107735	TPSA	272
2690	Non-hydrogen_Atom_Count	20
67420384	TPSA	38.1
11310242	Undefined_Bond_Stereo_Count	0
12760717	Undefined_Bond_Stereo_Count	0
13760530	Non-hydrogen_Atom_Count	8
452550	Hydrogen_Bond_Acceptor_Count	15
130510864	Structure_Complexity	94
6453608	Tautomer_Count	1
17857	Mono_Isotopic_Weight	170.178298710
8089	Rotatable_Bond_Count	21
587322	Hydrogen_Bond_Acceptor_Count	4
6228	Hydrogen_Bond_Acceptor_Count	1
80782	Mono_Isotopic_Weight	171.0450916
165542	Total_Formal_Charge	0
53737519	Total_Formal_Charge	0
25227436	Mono_Isotopic_Weight	428.1727518
441113	XLogP3-AA	1.8
44521023	Molecular_Weight	398.5
54370822	Mono_Isotopic_Weight	102.079312947
12025	Undefined_Atom_Stereo_Count	0
142299	Rotatable_Bond_Count	0
123936	Molecular_Weight	281.33
165901	Defined_Atom_Stereo_Count	0
694647	Exact_Mass	246.06269769
53957140	Defined_Bond_Stereo_Count	0
138122	Mono_Isotopic_Weight	41.026549100
444302	Hydrogen_Bond_Acceptor_Count	5
6114	Molecular_Weight	195.69
5289295	XLogP3-AA	2.3
66141	Rotatable_Bond_Count	1
66901	Isotope_Atom_Count	0
161209	Defined_Bond_Stereo_Count	0
66296	Defined_Bond_Stereo_Count	0
11527282	XLogP3-AA	5.1
12200971	Total_Formal_Charge	0
124635203	Isotope_Atom_Count	0
12933341	Undefined_Atom_Stereo_Count	0
58206428	Isotope_Atom_Count	0
138889	Rotatable_Bond_Count	3
28532	Total_Formal_Charge	0
162955	Molecular_Weight	378.5
74040195	Rotatable_Bond_Count	2
12855445	Total_Formal_Charge	0
25244355	Undefined_Bond_Stereo_Count	0
213	Structure_Complexity	459
9883933	Total_Formal_Charge	0
23519621	Undefined_Bond_Stereo_Count	0
62173	XLogP3-AA	5.9
52950901	Defined_Bond_Stereo_Count	0
466959	Undefined_Atom_Stereo_Count	0
10960	Defined_Bond_Stereo_Count	0
561861	Hydrogen_Bond_Donor_Count	1
45609	Non-hydrogen_Atom_Count	35
6786	Hydrogen_Bond_Donor_Count	0
9568077	Defined_Bond_Stereo_Count	1
13329881	Exact_Mass	103.063328530
79003661	Structure_Complexity	120
3033056	Structure_Complexity	122
1374121	XLogP3-AA	4.3
15702063	Defined_Atom_Stereo_Count	0
13078198	Defined_Atom_Stereo_Count	0
444041	Structure_Complexity	1480
720561	Defined_Atom_Stereo_Count	0
135423375	Hydrogen_Bond_Donor_Count	4
66141	Undefined_Bond_Stereo_Count	0
17074527	XLogP3-AA	0
2710	Exact_Mass	300.1393264
46936966	Undefined_Atom_Stereo_Count	0
99922	Tautomer_Count	5
7430	Mono_Isotopic_Weight	205.9649828
60196261	Non-hydrogen_Atom_Count	24
81	Rotatable_Bond_Count	8
11105314	Exact_Mass	97.052763847
441325	TPSA	42.7
33133	Hydrogen_Bond_Acceptor_Count	4
5459211	Hydrogen_Bond_Acceptor_Count	12
92131818	Isotope_Atom_Count	0
66038870	Structure_Complexity	102
7873	Defined_Bond_Stereo_Count	0
136880	Undefined_Bond_Stereo_Count	0
114789	XLogP3-AA	0.6
44521019	Non-hydrogen_Atom_Count	30
19768867	Total_Formal_Charge	0
128872	Hydrogen_Bond_Donor_Count	1
6450278	Undefined_Atom_Stereo_Count	0
66704605	Defined_Bond_Stereo_Count	0
117957447	Mono_Isotopic_Weight	102.079312947
23422	Hydrogen_Bond_Donor_Count	8
60196405	Structure_Complexity	606
10390	XLogP3	4.8
136797998	Mono_Isotopic_Weight	396.0044419
39929	Non-hydrogen_Atom_Count	17
479503	Hydrogen_Bond_Donor_Count	3
67249135	XLogP3-AA	4.8
10346870	XLogP3-AA	3.3
520148	Hydrogen_Bond_Acceptor_Count	2
5360970	TPSA	58.9
29761	Defined_Atom_Stereo_Count	0
10966	XLogP3	1.5
123217479	Hydrogen_Bond_Acceptor_Count	0
53952865	Undefined_Bond_Stereo_Count	0
15787996	Hydrogen_Bond_Acceptor_Count	4
18137	Structure_Complexity	134
155713	Undefined_Bond_Stereo_Count	0
21057	Undefined_Bond_Stereo_Count	0
25058126	Covalent_Unit_Count	1
97824	Molecular_Weight	159.23
10167713	Undefined_Bond_Stereo_Count	0
10373	Hydrogen_Bond_Acceptor_Count	3
154699876	Covalent_Unit_Count	1
86711	Tautomer_Count	1
7140	Rotatable_Bond_Count	3
158340	Tautomer_Count	1
2645	XLogP3	0.6
139637653	Non-hydrogen_Atom_Count	7
8048	Isotope_Atom_Count	0
5459318	Molecular_Weight	525.6
657302	Structure_Complexity	356
122501	Covalent_Unit_Count	1
5282416	Structure_Complexity	507
87821824	Exact_Mass	118.062994177
72765870	Rotatable_Bond_Count	1
1491	Structure_Complexity	157
5312978	Isotope_Atom_Count	0
3608	Defined_Bond_Stereo_Count	0
587128	Exact_Mass	168.0341926
16133892	Exact_Mass	1700.1729741
13357	Tautomer_Count	1
6441265	Structure_Complexity	1880
523224	Mono_Isotopic_Weight	110.109550447
9837124	Structure_Complexity	37.4
71587288	Covalent_Unit_Count	2
3037886	Molecular_Weight	231.33
25271892	Exact_Mass	315.08033852
5362376	Mono_Isotopic_Weight	444.1485709
107196	Defined_Bond_Stereo_Count	0
58981134	Defined_Atom_Stereo_Count	0
692643	Total_Formal_Charge	0
46693	Undefined_Atom_Stereo_Count	1
58914	Isotope_Atom_Count	0
4205687	Non-hydrogen_Atom_Count	8
16682935	Mono_Isotopic_Weight	352.997587
89859387	Defined_Bond_Stereo_Count	0
7678	Covalent_Unit_Count	1
2977	Hydrogen_Bond_Donor_Count	1
3527720	Exact_Mass	228.14739250
2734173	Mono_Isotopic_Weight	164.143924578
4369270	Undefined_Atom_Stereo_Count	0
344793	Undefined_Atom_Stereo_Count	1
72734332	Covalent_Unit_Count	1
137651	XLogP3-AA	2
53943526	Mono_Isotopic_Weight	99.032028402
537025	Covalent_Unit_Count	1
5284361	Defined_Bond_Stereo_Count	0
893	Hydrogen_Bond_Donor_Count	1
8969	Molecular_Weight	354.4
497698	Hydrogen_Bond_Acceptor_Count	6
5225	Defined_Atom_Stereo_Count	0
15976	Total_Formal_Charge	0
251636	Isotope_Atom_Count	0
76692	Covalent_Unit_Count	1
87847445	Non-hydrogen_Atom_Count	8
8786	Hydrogen_Bond_Acceptor_Count	2
22304	Covalent_Unit_Count	2
472946	Hydrogen_Bond_Donor_Count	1
78759292	Undefined_Atom_Stereo_Count	1
13511345	Hydrogen_Bond_Donor_Count	0
13410810	XLogP3-AA	0.5
5281758	Structure_Complexity	203
147246726	Total_Formal_Charge	0
14660056	Non-hydrogen_Atom_Count	7
3727	Hydrogen_Bond_Acceptor_Count	1
62240	XLogP3-AA	4.1
47304	Undefined_Atom_Stereo_Count	0
113	Undefined_Bond_Stereo_Count	0
21120209	Hydrogen_Bond_Acceptor_Count	7
57750369	Structure_Complexity	708
54087622	Structure_Complexity	94.4
13238893	Mono_Isotopic_Weight	189.07653381
5523	Non-hydrogen_Atom_Count	19
70724	Hydrogen_Bond_Donor_Count	0
268488	TPSA	92.4
22328014	Exact_Mass	114.00654193
5284656	Total_Formal_Charge	0
77455	Molecular_Weight	323.4
5283134	Exact_Mass	625.30330126
54175	Covalent_Unit_Count	2
11976122	Rotatable_Bond_Count	14
10811	Defined_Atom_Stereo_Count	0
5353613	Total_Formal_Charge	0
88024860	Total_Formal_Charge	0
134973	TPSA	15.3
4637	Hydrogen_Bond_Donor_Count	2
6603836	Total_Formal_Charge	0
237	Covalent_Unit_Count	1
10614	Structure_Complexity	196
4416	Undefined_Bond_Stereo_Count	0
83679654	Hydrogen_Bond_Donor_Count	1
7098	XLogP3	4.6
56670458	Molecular_Weight	477.9
24199313	Undefined_Atom_Stereo_Count	5
10700	Tautomer_Count	1
12285863	TPSA	110
67375395	Covalent_Unit_Count	1
11073371	Undefined_Bond_Stereo_Count	0
14965861	Defined_Atom_Stereo_Count	0
119544	Exact_Mass	304.215078140
123791702	Non-hydrogen_Atom_Count	7
70690634	Undefined_Atom_Stereo_Count	0
86000267	Total_Formal_Charge	0
12036417	Rotatable_Bond_Count	0
46830239	TPSA	71.6
24871267	Undefined_Atom_Stereo_Count	0
58143010	Mono_Isotopic_Weight	116.047344113
15988075	Mono_Isotopic_Weight	362.08782677
54688694	Molecular_Weight	459.4
5818	Undefined_Atom_Stereo_Count	0
4822	Defined_Bond_Stereo_Count	0
70838	Rotatable_Bond_Count	4
5271566	Exact_Mass	172.07355886
24900685	Molecular_Weight	464.6
14200416	Defined_Atom_Stereo_Count	0
5367417	Undefined_Atom_Stereo_Count	0
129983923	TPSA	12.5
13792437	Undefined_Atom_Stereo_Count	0
11060054	Undefined_Atom_Stereo_Count	0
11137427	Defined_Atom_Stereo_Count	0
606430	Covalent_Unit_Count	1
23394557	Undefined_Bond_Stereo_Count	0
11126210	Total_Formal_Charge	0
661093	Total_Formal_Charge	0
145607000	Structure_Complexity	74.9
441307	Exact_Mass	372.1815851
71517699	Undefined_Atom_Stereo_Count	0
5284604	Undefined_Atom_Stereo_Count	0
921599	Total_Formal_Charge	0
60740	Hydrogen_Bond_Acceptor_Count	2
68401	Total_Formal_Charge	0
4162	TPSA	46.2
5365793	Defined_Atom_Stereo_Count	0
7443	Covalent_Unit_Count	1
14536434	Defined_Bond_Stereo_Count	0
439570	TPSA	17.1
17595	Exact_Mass	113.084063974
66803	Non-hydrogen_Atom_Count	19
11170991	Hydrogen_Bond_Donor_Count	2
70234124	Defined_Bond_Stereo_Count	0
11936	XLogP3	5.1
20848	Mono_Isotopic_Weight	345.09945651
6604914	Mono_Isotopic_Weight	309.1244046
97469	XLogP3-AA	0.9
15575778	Covalent_Unit_Count	1
2100	Defined_Atom_Stereo_Count	0
59810317	Mono_Isotopic_Weight	97.052763847
208841	Undefined_Atom_Stereo_Count	0
21778241	Total_Formal_Charge	0
12594	Covalent_Unit_Count	1
556722	Defined_Atom_Stereo_Count	0
7249	Hydrogen_Bond_Acceptor_Count	1
77022	Mono_Isotopic_Weight	193.93410
74089	Non-hydrogen_Atom_Count	8
10159191	Defined_Bond_Stereo_Count	0
686752	Undefined_Bond_Stereo_Count	0
9970749	Exact_Mass	277.0188941
11416	Structure_Complexity	56.4
969105	Structure_Complexity	423
68745835	Hydrogen_Bond_Acceptor_Count	1
54060	Molecular_Weight	413.5
13556	Hydrogen_Bond_Acceptor_Count	0
5283853	Structure_Complexity	637
4025	Undefined_Bond_Stereo_Count	0
40896	Non-hydrogen_Atom_Count	20
53741494	Undefined_Bond_Stereo_Count	0
66081	Hydrogen_Bond_Acceptor_Count	0
13545127	Defined_Atom_Stereo_Count	0
1217	Non-hydrogen_Atom_Count	12
5329102	Exact_Mass	398.21180428
54682468	Total_Formal_Charge	0
14325613	Defined_Atom_Stereo_Count	0
11263485	Structure_Complexity	53.5
592279	Defined_Atom_Stereo_Count	0
114853	Exact_Mass	139.90545
85538179	Structure_Complexity	169
878	Mono_Isotopic_Weight	48.00337130
550964	Isotope_Atom_Count	0
54292	Total_Formal_Charge	0
22416599	Defined_Atom_Stereo_Count	0
66536	Structure_Complexity	516
54341391	Exact_Mass	94.078250319
20056625	Undefined_Atom_Stereo_Count	0
6992086	Undefined_Bond_Stereo_Count	0
24182914	Structure_Complexity	121
135398729	TPSA	134
5311501	Rotatable_Bond_Count	4
12348	Defined_Atom_Stereo_Count	0
3264	Defined_Atom_Stereo_Count	0
53712606	Mono_Isotopic_Weight	96.093900383
34260	Exact_Mass	356.29265975
61109	Covalent_Unit_Count	1
75864	XLogP3-AA	1.2
518234	XLogP3-AA	1.5
229851	Hydrogen_Bond_Acceptor_Count	5
6603822	Exact_Mass	301.298079487
2837	Undefined_Atom_Stereo_Count	5
9568069	XLogP3	1
12309460	Non-hydrogen_Atom_Count	19
57363	XLogP3	3
16722120	Isotope_Atom_Count	0
57370084	Defined_Atom_Stereo_Count	5
6824	Hydrogen_Bond_Donor_Count	1
24397	Undefined_Bond_Stereo_Count	0
69424	Hydrogen_Bond_Acceptor_Count	1
143228476	Defined_Atom_Stereo_Count	0
155613706	Non-hydrogen_Atom_Count	8
644073	Hydrogen_Bond_Acceptor_Count	5
12765	Non-hydrogen_Atom_Count	9
25418	Exact_Mass	88.063662883
11957609	Undefined_Bond_Stereo_Count	0
73952881	Structure_Complexity	516
15140308	Rotatable_Bond_Count	3
691409	Isotope_Atom_Count	0
2762927	Isotope_Atom_Count	0
31877	Defined_Atom_Stereo_Count	0
70034488	Defined_Bond_Stereo_Count	0
85859899	Mono_Isotopic_Weight	96.021129366
57473636	Undefined_Bond_Stereo_Count	0
9849490	Undefined_Atom_Stereo_Count	1
3137736	Hydrogen_Bond_Donor_Count	1
4478	Isotope_Atom_Count	0
70034662	Defined_Atom_Stereo_Count	0
25273227	Isotope_Atom_Count	0
16211884	Rotatable_Bond_Count	1
23689036	Defined_Bond_Stereo_Count	0
4628	Structure_Complexity	446
12933274	Hydrogen_Bond_Acceptor_Count	1
54675842	XLogP3	2.5
11203	Undefined_Atom_Stereo_Count	0
72070	Defined_Bond_Stereo_Count	0
87712	Total_Formal_Charge	0
528856	Rotatable_Bond_Count	6
56617809	Non-hydrogen_Atom_Count	7
5282230	Undefined_Bond_Stereo_Count	0
163751	Defined_Bond_Stereo_Count	0
9425	Defined_Atom_Stereo_Count	0
4427	Undefined_Bond_Stereo_Count	0
66828839	Undefined_Bond_Stereo_Count	0
148195	Structure_Complexity	790
2761399	Hydrogen_Bond_Donor_Count	1
6433513	Hydrogen_Bond_Acceptor_Count	4
71818	Total_Formal_Charge	0
5009	Hydrogen_Bond_Donor_Count	1
398739	Molecular_Weight	337.34
11546350	Total_Formal_Charge	0
23835544	Covalent_Unit_Count	1
12529661	Undefined_Atom_Stereo_Count	0
133728	Hydrogen_Bond_Donor_Count	2
23665765	Hydrogen_Bond_Donor_Count	0
101544	Non-hydrogen_Atom_Count	21
18635	Hydrogen_Bond_Donor_Count	0
13977927	Exact_Mass	100.052429494
40469421	Hydrogen_Bond_Donor_Count	2
23057994	Structure_Complexity	63.5
101611446	Rotatable_Bond_Count	0
5062	Undefined_Atom_Stereo_Count	5
381117	Mono_Isotopic_Weight	272.03679668
565471	Mono_Isotopic_Weight	168.115029749
5364328	Structure_Complexity	102
968609	Rotatable_Bond_Count	4
87847445	Structure_Complexity	120
412163	Undefined_Bond_Stereo_Count	0
92824	Molecular_Weight	134.09
133967	XLogP3-AA	5.1
20485906	Non-hydrogen_Atom_Count	7
20680	Hydrogen_Bond_Donor_Count	0
14480677	Hydrogen_Bond_Donor_Count	2
118578546	XLogP3-AA	0.1
21501	Exact_Mass	163.038176411
479930	Covalent_Unit_Count	1
8534	Defined_Bond_Stereo_Count	0
53917786	Covalent_Unit_Count	1
134688043	Hydrogen_Bond_Acceptor_Count	12
11967214	Exact_Mass	801.34907
41574	TPSA	69.6
31374	Total_Formal_Charge	0
95866	Molecular_Weight	90.08
448042	Undefined_Atom_Stereo_Count	0
13618050	Covalent_Unit_Count	1
16071605	XLogP3-AA	4.3
1613	TPSA	111
57445154	Rotatable_Bond_Count	2
9894291	Total_Formal_Charge	0
74839	Non-hydrogen_Atom_Count	15
71508542	Covalent_Unit_Count	1
88794	Total_Formal_Charge	0
11690378	Defined_Atom_Stereo_Count	0
105104	Defined_Atom_Stereo_Count	3
165157	Structure_Complexity	1500
720637	Undefined_Atom_Stereo_Count	0
16722120	TPSA	57.2
40030	Defined_Atom_Stereo_Count	0
5324054	Defined_Atom_Stereo_Count	0
451188	Defined_Bond_Stereo_Count	0
6713312	Undefined_Atom_Stereo_Count	3
24636	Undefined_Atom_Stereo_Count	0
124427926	Molecular_Weight	342.30
11374	Non-hydrogen_Atom_Count	11
14116454	Molecular_Weight	98.10
5400866	XLogP3-AA	1.6
14693963	XLogP3-AA	2.1
154574010	Non-hydrogen_Atom_Count	17
244	Covalent_Unit_Count	1
8449	Undefined_Bond_Stereo_Count	0
12463	Rotatable_Bond_Count	0
15191343	Hydrogen_Bond_Donor_Count	2
44629653	Exact_Mass	166.123189134
91996283	Covalent_Unit_Count	3
54598306	Undefined_Bond_Stereo_Count	0
71072050	Undefined_Atom_Stereo_Count	0
87963836	Structure_Complexity	113
317678	Defined_Bond_Stereo_Count	0
62384	Molecular_Weight	116.16
59508	Non-hydrogen_Atom_Count	28
9795291	Undefined_Bond_Stereo_Count	0
6433110	Hydrogen_Bond_Donor_Count	2
85588	Undefined_Bond_Stereo_Count	0
12399560	Mono_Isotopic_Weight	511.18959167
20118	Tautomer_Count	2
14373	Hydrogen_Bond_Acceptor_Count	2
56974851	TPSA	38.3
710649	Molecular_Weight	318.4
37137	XLogP3	4.4
9839306	Non-hydrogen_Atom_Count	22
11315250	Isotope_Atom_Count	0
71352	Isotope_Atom_Count	0
84063996	XLogP3-AA	0.2
11483754	TPSA	52.3
11198626	Hydrogen_Bond_Acceptor_Count	4
16132283	Hydrogen_Bond_Acceptor_Count	55
24005	TPSA	20.2
88589623	Total_Formal_Charge	0
54572926	Total_Formal_Charge	0
2807	Hydrogen_Bond_Acceptor_Count	6
69578	Covalent_Unit_Count	1
20553328	Molecular_Weight	103.15
232080	Hydrogen_Bond_Donor_Count	1
13530	Structure_Complexity	70.6
825784	Covalent_Unit_Count	1
58801077	Undefined_Bond_Stereo_Count	0
6950578	Molecular_Weight	181.19
240373	Rotatable_Bond_Count	4
77515	Hydrogen_Bond_Donor_Count	0
12669	Tautomer_Count	1
242364	Structure_Complexity	209
173	Exact_Mass	187.12084340
738541	Hydrogen_Bond_Donor_Count	1
1393	Isotope_Atom_Count	0
82935	Structure_Complexity	2.8
123585399	Structure_Complexity	117
107918	Mono_Isotopic_Weight	1005.16812503
124514	Tautomer_Count	4
116021439	Total_Formal_Charge	0
5462212	Exact_Mass	919.23532538
68280040	Defined_Atom_Stereo_Count	0
41377	Non-hydrogen_Atom_Count	17
69925	Mono_Isotopic_Weight	276.097041664
22522	Non-hydrogen_Atom_Count	17
5464037	Total_Formal_Charge	0
57568	Mono_Isotopic_Weight	211.157228913
73425158	Exact_Mass	111.068413911
101796201	Defined_Bond_Stereo_Count	0
20093425	TPSA	54.7
11815293	TPSA	43.1
451189	Defined_Atom_Stereo_Count	0
20798615	Total_Formal_Charge	0
15461361	TPSA	26.3
121942	Molecular_Weight	356.32
181887	TPSA	13.1
53320294	Total_Formal_Charge	0
91582439	Rotatable_Bond_Count	0
117045394	Total_Formal_Charge	0
13082553	Defined_Atom_Stereo_Count	0
2277	Total_Formal_Charge	0
12222	TPSA	17.1
12285871	Undefined_Bond_Stereo_Count	0
23757	Molecular_Weight	385.4
688363	Mono_Isotopic_Weight	238.08412354
12977	TPSA	38.7
18713388	Isotope_Atom_Count	0
9988	XLogP3-AA	0.9
753050	XLogP3-AA	3.9
4066245	Rotatable_Bond_Count	3
6433091	Hydrogen_Bond_Donor_Count	1
55463	Structure_Complexity	585
5386	Defined_Bond_Stereo_Count	0
13570060	Hydrogen_Bond_Donor_Count	0
40894	Hydrogen_Bond_Acceptor_Count	1
433956	Rotatable_Bond_Count	3
232446	Mono_Isotopic_Weight	268.146329876
445071	Undefined_Bond_Stereo_Count	0
7711	Hydrogen_Bond_Donor_Count	0
70235	Total_Formal_Charge	0
4369491	Hydrogen_Bond_Donor_Count	3
13990016	Isotope_Atom_Count	0
522216	Isotope_Atom_Count	0
5310967	Non-hydrogen_Atom_Count	12
44453028	Covalent_Unit_Count	2
71195	Total_Formal_Charge	0
81207	Covalent_Unit_Count	1
117064644	Covalent_Unit_Count	1
3640	Non-hydrogen_Atom_Count	26
84152	Mono_Isotopic_Weight	132.078644241
84420187	Molecular_Weight	192.17
5582	Non-hydrogen_Atom_Count	27
53442201	XLogP3-AA	2.6
67828	Total_Formal_Charge	0
5282315	Hydrogen_Bond_Donor_Count	4
15758	Hydrogen_Bond_Acceptor_Count	2
22160812	Defined_Bond_Stereo_Count	0
68629	Exact_Mass	266.0644474
7311	Structure_Complexity	206
359778	Defined_Bond_Stereo_Count	0
6077	Hydrogen_Bond_Donor_Count	0
60050	Hydrogen_Bond_Acceptor_Count	4
13653	Hydrogen_Bond_Donor_Count	3
289807	Structure_Complexity	366
123766000	Isotope_Atom_Count	0
443870	Defined_Atom_Stereo_Count	0
10996972	Defined_Atom_Stereo_Count	0
36231	TPSA	0
12669582	Total_Formal_Charge	0
85192	Structure_Complexity	86.2
3025721	XLogP3	2.8
74864	Hydrogen_Bond_Donor_Count	1
173799	Undefined_Bond_Stereo_Count	0
118115	Undefined_Atom_Stereo_Count	1
10518	Total_Formal_Charge	0
75577315	Mono_Isotopic_Weight	116.047344113
36560	Covalent_Unit_Count	2
10046647	Rotatable_Bond_Count	5
529315	TPSA	9.2
23667628	Undefined_Atom_Stereo_Count	0
5491647	Exact_Mass	269.10519334
4841	Hydrogen_Bond_Donor_Count	1
875202	Non-hydrogen_Atom_Count	16
34327	Total_Formal_Charge	0
24892775	Non-hydrogen_Atom_Count	34
89930457	Undefined_Bond_Stereo_Count	0
10964	Mono_Isotopic_Weight	72.021129366
11173546	Covalent_Unit_Count	1
441328	Structure_Complexity	461
33166	Isotope_Atom_Count	0
1549520	Mono_Isotopic_Weight	163.063328530
2723755	Hydrogen_Bond_Acceptor_Count	2
535717	Hydrogen_Bond_Donor_Count	0
98324	Undefined_Atom_Stereo_Count	1
47640	Defined_Bond_Stereo_Count	0
661958	Exact_Mass	286.9953820
14809442	Isotope_Atom_Count	0
91329391	Covalent_Unit_Count	1
138404353	Covalent_Unit_Count	2
1382043	Total_Formal_Charge	0
620625	XLogP3-AA	1
69589310	Undefined_Bond_Stereo_Count	0
519200	TPSA	18.5
67936	Rotatable_Bond_Count	1
5282209	Mono_Isotopic_Weight	590.26281617
5324	Defined_Atom_Stereo_Count	0
441245	Structure_Complexity	197
26758	Molecular_Weight	223.74
9909846	TPSA	60.7
9879368	Exact_Mass	263.167399674
101417753	Non-hydrogen_Atom_Count	16
101675604	Mono_Isotopic_Weight	663.36079323
74068	Isotope_Atom_Count	0
13159184	Undefined_Atom_Stereo_Count	1
291	Total_Formal_Charge	1
45807	Rotatable_Bond_Count	10
62865	Covalent_Unit_Count	1
151726	Tautomer_Count	16
24197462	Undefined_Bond_Stereo_Count	0
12299881	Covalent_Unit_Count	1
10556	Mono_Isotopic_Weight	183.97490
81618	Hydrogen_Bond_Acceptor_Count	3
69963	Hydrogen_Bond_Acceptor_Count	1
458420	Mono_Isotopic_Weight	86.02286070
4571243	XLogP3-AA	4.2
5318385	Defined_Atom_Stereo_Count	2
206347	Hydrogen_Bond_Donor_Count	14
7530950	Covalent_Unit_Count	1
9866622	Undefined_Atom_Stereo_Count	5
53737519	Non-hydrogen_Atom_Count	7
9554198	Tautomer_Count	2
72604488	Non-hydrogen_Atom_Count	7
13046623	TPSA	20.2
22645860	Molecular_Weight	98.10
60196306	Exact_Mass	670.39282728
564751	Isotope_Atom_Count	0
7536516	Mono_Isotopic_Weight	161.095297364
10986305	Hydrogen_Bond_Acceptor_Count	3
129010338	Exact_Mass	416.32904526
4369502	XLogP3-AA	3.1
71449857	Non-hydrogen_Atom_Count	32
57390868	Non-hydrogen_Atom_Count	31
13555	Hydrogen_Bond_Acceptor_Count	0
39507	Tautomer_Count	6
135400184	Exact_Mass	284.07318219
322	Non-hydrogen_Atom_Count	12
132941102	Rotatable_Bond_Count	67
121587	Non-hydrogen_Atom_Count	22
179338	Isotope_Atom_Count	0
5282947	Defined_Atom_Stereo_Count	0
91857355	Non-hydrogen_Atom_Count	23
67782238	Defined_Bond_Stereo_Count	0
19782729	XLogP3-AA	0.4
154731207	Defined_Atom_Stereo_Count	8
36246	Undefined_Bond_Stereo_Count	0
12263095	Isotope_Atom_Count	0
151205	Hydrogen_Bond_Donor_Count	2
12081	Isotope_Atom_Count	0
13711	Hydrogen_Bond_Acceptor_Count	4
59792626	Hydrogen_Bond_Donor_Count	0
2724159	Exact_Mass	150.104465066
22986609	Mono_Isotopic_Weight	113.047678466
23158703	Mono_Isotopic_Weight	387.15426879
11462536	TPSA	35.5
9568637	Covalent_Unit_Count	11
103984	Tautomer_Count	1
3086172	TPSA	59.3
68210	Total_Formal_Charge	0
3037565	Hydrogen_Bond_Donor_Count	3
21093905	Molecular_Weight	378.9
6598	Non-hydrogen_Atom_Count	6
23338787	TPSA	26.3
71555	Rotatable_Bond_Count	4
449369	Isotope_Atom_Count	0
6093170	Hydrogen_Bond_Donor_Count	0
35329	Defined_Bond_Stereo_Count	0
120826	XLogP3-AA	1.1
57714	Structure_Complexity	324
30209	Total_Formal_Charge	0
14057	TPSA	37.3
6100711	Mono_Isotopic_Weight	287.886175
3037456	Non-hydrogen_Atom_Count	35
119171	Defined_Atom_Stereo_Count	0
68901489	Non-hydrogen_Atom_Count	8
46231497	Defined_Atom_Stereo_Count	0
40466862	TPSA	163
108956	Non-hydrogen_Atom_Count	37
71555	Exact_Mass	217.0869564
5378825	XLogP3	1.7
62751	Undefined_Atom_Stereo_Count	0
54099775	Non-hydrogen_Atom_Count	8
11531799	Hydrogen_Bond_Donor_Count	2
673845	Rotatable_Bond_Count	3
22899343	Isotope_Atom_Count	0
74242	Rotatable_Bond_Count	1
73509	Defined_Atom_Stereo_Count	0
833	Undefined_Bond_Stereo_Count	0
11769	Structure_Complexity	273
6844	Mono_Isotopic_Weight	188.047344113
12313849	Rotatable_Bond_Count	0
342	Isotope_Atom_Count	0
8852	Covalent_Unit_Count	1
25982	Undefined_Atom_Stereo_Count	2
72111	Isotope_Atom_Count	0
38855	Rotatable_Bond_Count	19
2318546	Molecular_Weight	334.4
15208558	Hydrogen_Bond_Acceptor_Count	1
24198694	Covalent_Unit_Count	2
25125217	Mono_Isotopic_Weight	487.18312413
3865578	TPSA	49.4
470375	Mono_Isotopic_Weight	428.00886708
7771	Tautomer_Count	3
664136	Rotatable_Bond_Count	4
31143	Mono_Isotopic_Weight	238.13174244
6732	Exact_Mass	230.094294304
370	Covalent_Unit_Count	1
145706074	Undefined_Atom_Stereo_Count	25
11628328	Hydrogen_Bond_Donor_Count	2
53664307	Non-hydrogen_Atom_Count	7
119438	Total_Formal_Charge	4
92151	Defined_Atom_Stereo_Count	0
496666	Undefined_Atom_Stereo_Count	1
44519	Exact_Mass	351.10591
68109743	Hydrogen_Bond_Acceptor_Count	6
60196413	Structure_Complexity	552
89590	Molecular_Weight	164.20
22909	Covalent_Unit_Count	1
2775941	Undefined_Atom_Stereo_Count	0
67338	Isotope_Atom_Count	0
9648	Defined_Atom_Stereo_Count	0
54688693	Covalent_Unit_Count	1
1424	Rotatable_Bond_Count	14
17963196	Total_Formal_Charge	0
7471	Hydrogen_Bond_Donor_Count	0
23669	Structure_Complexity	260
11525	Hydrogen_Bond_Acceptor_Count	1
53856650	Hydrogen_Bond_Donor_Count	0
11349505	Structure_Complexity	315
12245073	Undefined_Bond_Stereo_Count	0
53424628	Hydrogen_Bond_Donor_Count	1
15475283	Total_Formal_Charge	0
21490219	Mono_Isotopic_Weight	101.084063974
86287524	Covalent_Unit_Count	1
834	Defined_Atom_Stereo_Count	0
5384411	Total_Formal_Charge	0
9887304	Structure_Complexity	682
3663247	Defined_Bond_Stereo_Count	0
16050932	XLogP3-AA	3.1
81451	Undefined_Bond_Stereo_Count	0
65013	Undefined_Bond_Stereo_Count	0
98650	Structure_Complexity	146
12757	Hydrogen_Bond_Donor_Count	0
121296846	Hydrogen_Bond_Acceptor_Count	2
55710	Hydrogen_Bond_Acceptor_Count	3
23667629	Hydrogen_Bond_Donor_Count	1
8254	Structure_Complexity	2.8
9472	Undefined_Bond_Stereo_Count	0
135404289	Hydrogen_Bond_Donor_Count	2
17231	TPSA	46.5
62706165	Hydrogen_Bond_Donor_Count	3
146160179	Hydrogen_Bond_Acceptor_Count	10
77097	Isotope_Atom_Count	0
19309	Tautomer_Count	7
19354533	Covalent_Unit_Count	1
60196348	Structure_Complexity	1010
13220642	Rotatable_Bond_Count	0
7654	Covalent_Unit_Count	1
11083476	Defined_Atom_Stereo_Count	8
11804710	Covalent_Unit_Count	1
8995	Hydrogen_Bond_Donor_Count	0
7342	Structure_Complexity	76.6
5270603	Undefined_Atom_Stereo_Count	0
183789	Total_Formal_Charge	0
450268	Hydrogen_Bond_Acceptor_Count	4
92722	Isotope_Atom_Count	0
40807	TPSA	177
135439051	Rotatable_Bond_Count	12
779179	Exact_Mass	347.18450629
640180	Rotatable_Bond_Count	4
91386640	TPSA	38.6
135460987	Defined_Bond_Stereo_Count	0
9015	Mono_Isotopic_Weight	124.052429494
236212	Undefined_Bond_Stereo_Count	0
74888	Non-hydrogen_Atom_Count	22
91772	Non-hydrogen_Atom_Count	26
45199	Hydrogen_Bond_Acceptor_Count	5
2415	Total_Formal_Charge	0
51081	Molecular_Weight	333.36
498459	Defined_Atom_Stereo_Count	0
129720213	Undefined_Atom_Stereo_Count	0
68602	Defined_Bond_Stereo_Count	0
5068775	Mono_Isotopic_Weight	100.100048391
15072744	Undefined_Bond_Stereo_Count	0
733511	Non-hydrogen_Atom_Count	24
12524	Isotope_Atom_Count	0
68552	Isotope_Atom_Count	0
9835868	Molecular_Weight	297.5
93146	Hydrogen_Bond_Donor_Count	2
131855729	Hydrogen_Bond_Acceptor_Count	1
23634441	Hydrogen_Bond_Donor_Count	3
2394	Structure_Complexity	2300
186003	Mono_Isotopic_Weight	103.042199164
73114967	Non-hydrogen_Atom_Count	8
79476	Structure_Complexity	242
96029	Isotope_Atom_Count	0
22505043	Covalent_Unit_Count	1
3172	TPSA	3.2
11159486	Total_Formal_Charge	0
3683	Structure_Complexity	602
11652923	Molecular_Weight	335.4
39593	Undefined_Atom_Stereo_Count	0
79096	Hydrogen_Bond_Acceptor_Count	1
26715	Hydrogen_Bond_Acceptor_Count	3
19082030	Defined_Atom_Stereo_Count	0
72221005	Undefined_Atom_Stereo_Count	1
166548151	Undefined_Atom_Stereo_Count	0
3627	Defined_Atom_Stereo_Count	0
704316	Undefined_Bond_Stereo_Count	1
4274588	Hydrogen_Bond_Acceptor_Count	4
143440	Isotope_Atom_Count	0
1201546	Exact_Mass	132.96560607
1698	Undefined_Bond_Stereo_Count	0
5289085	Undefined_Atom_Stereo_Count	0
174782	Molecular_Weight	847.5
39174	Defined_Bond_Stereo_Count	0
151172	Total_Formal_Charge	0
9020	Covalent_Unit_Count	3
8467	Undefined_Atom_Stereo_Count	0
11108856	Covalent_Unit_Count	1
519514	TPSA	12.5
44152363	Exact_Mass	459.26342531
56977978	Defined_Atom_Stereo_Count	0
3899541	Structure_Complexity	386
22833295	Defined_Bond_Stereo_Count	0
57159129	Hydrogen_Bond_Acceptor_Count	3
9746	TPSA	12.9
153909	TPSA	149
65575	Hydrogen_Bond_Acceptor_Count	1
3197630	Structure_Complexity	635
20056549	TPSA	220
44241743	Structure_Complexity	799
55305	Undefined_Atom_Stereo_Count	1
65624	Hydrogen_Bond_Donor_Count	0
135398748	Hydrogen_Bond_Acceptor_Count	5
57358493	Hydrogen_Bond_Donor_Count	4
31251	Hydrogen_Bond_Donor_Count	0
16760374	TPSA	324
150868	Non-hydrogen_Atom_Count	14
22594079	Mono_Isotopic_Weight	119.00409958
37461	Structure_Complexity	553
6688	Undefined_Bond_Stereo_Count	0
23629960	Mono_Isotopic_Weight	368.15968852
266934	Hydrogen_Bond_Donor_Count	5
601791	Hydrogen_Bond_Donor_Count	0
141738	Rotatable_Bond_Count	2
3146673	Total_Formal_Charge	0
9884833	Tautomer_Count	2
5281071	Rotatable_Bond_Count	5
6518	XLogP3-AA	1.4
20251205	Covalent_Unit_Count	1
3371	Hydrogen_Bond_Donor_Count	2
439616	Hydrogen_Bond_Donor_Count	2
16719	Undefined_Atom_Stereo_Count	0
138062	Total_Formal_Charge	0
67056782	Hydrogen_Bond_Donor_Count	0
9579	Non-hydrogen_Atom_Count	12
519849	Covalent_Unit_Count	1
439587	Molecular_Weight	309.36
9765	Undefined_Atom_Stereo_Count	0
91608418	Non-hydrogen_Atom_Count	8
101239377	Undefined_Bond_Stereo_Count	0
125820	Non-hydrogen_Atom_Count	21
81668	Undefined_Bond_Stereo_Count	0
57394836	Undefined_Bond_Stereo_Count	0
73812	Non-hydrogen_Atom_Count	15
6433083	Tautomer_Count	4
14120450	XLogP3-AA	2.5
21336	Structure_Complexity	236
5756	Isotope_Atom_Count	0
26447	Mono_Isotopic_Weight	154.135765193
4142809	Total_Formal_Charge	0
9962735	Defined_Atom_Stereo_Count	0
7057919	Total_Formal_Charge	0
61055	Total_Formal_Charge	0
57558295	Hydrogen_Bond_Acceptor_Count	2
15558640	Structure_Complexity	574
13694815	Isotope_Atom_Count	0
20188397	Structure_Complexity	101
70851	Defined_Atom_Stereo_Count	0
9009	Defined_Bond_Stereo_Count	0
159250	Hydrogen_Bond_Donor_Count	6
32675	Covalent_Unit_Count	2
18372143	Undefined_Bond_Stereo_Count	0
23279533	Defined_Bond_Stereo_Count	0
10898675	Defined_Atom_Stereo_Count	0
154474487	Total_Formal_Charge	0
447360	Exact_Mass	436.0430605
447021	Defined_Bond_Stereo_Count	0
12367599	Covalent_Unit_Count	1
10022	Exact_Mass	153.97934
522266	Undefined_Atom_Stereo_Count	5
124226574	Defined_Bond_Stereo_Count	5
7736	TPSA	29.3
10997120	Molecular_Weight	140.65
925642	Rotatable_Bond_Count	3
135743681	Rotatable_Bond_Count	2
60096125	TPSA	35.3
49855364	Mono_Isotopic_Weight	567.23041111
80152	Covalent_Unit_Count	1
37686	Undefined_Bond_Stereo_Count	0
61812	Hydrogen_Bond_Donor_Count	0
74030550	Molecular_Weight	2002.2
13672885	Rotatable_Bond_Count	3
68424	Rotatable_Bond_Count	1
12067680	Isotope_Atom_Count	0
637517	Hydrogen_Bond_Acceptor_Count	2
123892691	Rotatable_Bond_Count	1
10721	Molecular_Weight	117.15
91747	Isotope_Atom_Count	0
5281884	TPSA	276
56841936	Tautomer_Count	1
65513	Hydrogen_Bond_Acceptor_Count	10
54675842	Defined_Bond_Stereo_Count	0
71256	Hydrogen_Bond_Acceptor_Count	14
842	Molecular_Weight	250.27
126514	XLogP3-AA	3
138106567	Structure_Complexity	1120
69995962	Non-hydrogen_Atom_Count	6
53456	TPSA	87.1
1244460	Covalent_Unit_Count	1
42865	Hydrogen_Bond_Donor_Count	2
23161665	Undefined_Atom_Stereo_Count	2
10246085	Total_Formal_Charge	0
102234473	XLogP3-AA	1.8
90127780	Undefined_Bond_Stereo_Count	0
454647	Total_Formal_Charge	0
66002	Covalent_Unit_Count	1
637511	Molecular_Weight	132.16
45182	Non-hydrogen_Atom_Count	19
70014	Defined_Bond_Stereo_Count	0
18470	TPSA	0
70615	Total_Formal_Charge	0
12867	Hydrogen_Bond_Acceptor_Count	2
34936	Undefined_Atom_Stereo_Count	0
142755	Exact_Mass	114.068079557
54585642	Total_Formal_Charge	0
44400351	Defined_Bond_Stereo_Count	0
11051583	Molecular_Weight	98.10
21924633	TPSA	17.1
5284369	Mono_Isotopic_Weight	253.110278721
643985	Defined_Bond_Stereo_Count	0
27402	TPSA	44.5
83444	Exact_Mass	242.123925117
130145308	TPSA	40.5
13586	Mono_Isotopic_Weight	70.041864811
5748845	Hydrogen_Bond_Acceptor_Count	12
957500	Total_Formal_Charge	0
74362	XLogP3-AA	0.7
24214097	Non-hydrogen_Atom_Count	11
421442	Covalent_Unit_Count	1
71031	Mono_Isotopic_Weight	250.01222190
68321854	Mono_Isotopic_Weight	337.15387487
56955281	Rotatable_Bond_Count	3
81239	Isotope_Atom_Count	0
93193	Tautomer_Count	1
5459792	Molecular_Weight	132.07
101942760	Rotatable_Bond_Count	4
77942	Undefined_Atom_Stereo_Count	0
135440068	Exact_Mass	267.09675391
15456	Non-hydrogen_Atom_Count	18
2813772	Rotatable_Bond_Count	3
77072	XLogP3-AA	11.8
92246	Isotope_Atom_Count	0
17751002	Isotope_Atom_Count	0
44573579	TPSA	57.2
164167667	Total_Formal_Charge	0
66057	Hydrogen_Bond_Acceptor_Count	2
3034351	Undefined_Bond_Stereo_Count	0
12591555	Undefined_Bond_Stereo_Count	0
91749	Exact_Mass	221.0243562
3073200	Exact_Mass	246.05282342
10197842	Non-hydrogen_Atom_Count	10
17435	Undefined_Bond_Stereo_Count	0
142906448	Undefined_Atom_Stereo_Count	1
154103	Total_Formal_Charge	0
4865	Undefined_Atom_Stereo_Count	4
6947	Non-hydrogen_Atom_Count	10
572065	Structure_Complexity	161
7951	Structure_Complexity	82.9
8691	Molecular_Weight	249.70
9805776	Rotatable_Bond_Count	5
6327	Total_Formal_Charge	0
19695800	Total_Formal_Charge	0
68109743	TPSA	112
6918332	Non-hydrogen_Atom_Count	27
70848	Rotatable_Bond_Count	2
10434211	Covalent_Unit_Count	1
101527072	Rotatable_Bond_Count	0
51030898	Undefined_Bond_Stereo_Count	0
91231076	XLogP3-AA	1.5
20587905	Molecular_Weight	59.82
97105	Covalent_Unit_Count	1
24827	Non-hydrogen_Atom_Count	9
54676539	Undefined_Bond_Stereo_Count	0
5408	Molecular_Weight	288.4
45356230	Hydrogen_Bond_Acceptor_Count	2
61562434	Isotope_Atom_Count	0
70690638	Exact_Mass	457.18623762
56675696	Exact_Mass	422.12127520
17131	Total_Formal_Charge	0
65825	TPSA	6.5
4735	Undefined_Atom_Stereo_Count	0
12694	Molecular_Weight	127.95
94268	Mono_Isotopic_Weight	98.073164938
51082	Undefined_Bond_Stereo_Count	0
1211	XLogP3-AA	6
15904927	TPSA	52
6917951	Exact_Mass	398.20932405
5283547	Molecular_Weight	580.9
125127453	Covalent_Unit_Count	1
25561	Hydrogen_Bond_Donor_Count	3
7371	TPSA	62.8
519963	XLogP3-AA	0.6
2687	Undefined_Atom_Stereo_Count	1
79798	Non-hydrogen_Atom_Count	16
136305612	Undefined_Atom_Stereo_Count	0
565082	Hydrogen_Bond_Acceptor_Count	3
139568	TPSA	0
709	XLogP3	1.5
19960955	Undefined_Bond_Stereo_Count	0
101316975	TPSA	135
12697736	Mono_Isotopic_Weight	102.068079557
135566433	Structure_Complexity	557
11819042	Isotope_Atom_Count	0
100665	Defined_Atom_Stereo_Count	4
44719547	TPSA	53.7
4151	XLogP3	1.8
83445	Tautomer_Count	5
125110	Undefined_Bond_Stereo_Count	0
2656	Non-hydrogen_Atom_Count	36
14640738	TPSA	29.5
34624	Undefined_Atom_Stereo_Count	0
41191	Undefined_Atom_Stereo_Count	0
99143	Molecular_Weight	210.3
411312	Total_Formal_Charge	0
13791373	Exact_Mass	111.068413911
25141092	Structure_Complexity	847
4337	Rotatable_Bond_Count	14
7984	Tautomer_Count	2
5281899	Isotope_Atom_Count	0
44377662	Non-hydrogen_Atom_Count	115
206311	Defined_Atom_Stereo_Count	2
2037	Covalent_Unit_Count	1
162918373	Total_Formal_Charge	0
45408	Non-hydrogen_Atom_Count	22
71726	XLogP3-AA	1.2
68193	Structure_Complexity	261
131731052	Defined_Atom_Stereo_Count	0
146159626	Rotatable_Bond_Count	5
3014827	Structure_Complexity	2.8
11194307	XLogP3-AA	2.5
268370	Hydrogen_Bond_Acceptor_Count	6
53387035	Defined_Bond_Stereo_Count	0
449107	XLogP3-AA	4.9
5866327	Defined_Atom_Stereo_Count	0
87212	TPSA	90.6
12639	XLogP3-AA	0.3
66321	Total_Formal_Charge	0
44571098	Non-hydrogen_Atom_Count	32
86295112	Structure_Complexity	618
9956127	TPSA	117
447378	Undefined_Bond_Stereo_Count	0
7896	Defined_Atom_Stereo_Count	0
17038	Exact_Mass	348.907860
257369	Non-hydrogen_Atom_Count	8
5354004	Non-hydrogen_Atom_Count	22
68895	XLogP3-AA	1.3
61041	Exact_Mass	150.104465066
115011064	Exact_Mass	114.068079557
108207	Molecular_Weight	344.4
4126474	Isotope_Atom_Count	0
24978601	Molecular_Weight	624.6
5492688	Rotatable_Bond_Count	6
3033031	Defined_Atom_Stereo_Count	2
67564795	Undefined_Bond_Stereo_Count	0
46780441	Hydrogen_Bond_Acceptor_Count	6
1524	XLogP3-AA	1.3
14846	Hydrogen_Bond_Acceptor_Count	2
16122612	Hydrogen_Bond_Donor_Count	1
20723390	Rotatable_Bond_Count	0
705467	TPSA	49.8
73001175	Mono_Isotopic_Weight	99.104799419
3276	Hydrogen_Bond_Acceptor_Count	5
3277	Mono_Isotopic_Weight	289.15387487
3763454	Tautomer_Count	1
5246258	Molecular_Weight	108.16
23422066	Exact_Mass	162.05416083
11961	Defined_Bond_Stereo_Count	0
18704550	Defined_Atom_Stereo_Count	0
5362115	Structure_Complexity	649
406167	Total_Formal_Charge	0
14445624	Exact_Mass	113.058911855
81458	TPSA	0
46882191	XLogP3-AA	3.7
135391165	Defined_Bond_Stereo_Count	1
119090957	Undefined_Atom_Stereo_Count	0
171375	Defined_Bond_Stereo_Count	0
73707356	Undefined_Atom_Stereo_Count	2
119097490	Hydrogen_Bond_Acceptor_Count	2
506152	Structure_Complexity	691
10996	XLogP3-AA	1.3
139799	Defined_Atom_Stereo_Count	0
5280489	Defined_Atom_Stereo_Count	0
3644637	XLogP3-AA	3.8
57504473	Non-hydrogen_Atom_Count	35
42768	Mono_Isotopic_Weight	520.22725974
108218	Exact_Mass	220.05177804
156618074	Undefined_Bond_Stereo_Count	0
22644568	Undefined_Atom_Stereo_Count	0
6063	Total_Formal_Charge	0
158796	Hydrogen_Bond_Donor_Count	2
11321894	Isotope_Atom_Count	0
146110	Mono_Isotopic_Weight	442.18117893
12309467	Total_Formal_Charge	0
51814	Total_Formal_Charge	0
20034086	Undefined_Bond_Stereo_Count	0
12488	Covalent_Unit_Count	1
292249	Molecular_Weight	110.11
6918454	Hydrogen_Bond_Donor_Count	2
2461	Covalent_Unit_Count	1
72015	Tautomer_Count	4
122313	Mono_Isotopic_Weight	323.12296866
2779031	Hydrogen_Bond_Donor_Count	1
528405	Rotatable_Bond_Count	1
85763	TPSA	60.7
5367460	Structure_Complexity	327
135400183	XLogP3-AA	0.3
135431272	Mono_Isotopic_Weight	111.043261792
261555	Total_Formal_Charge	0
135499741	Mono_Isotopic_Weight	115.038176411
45467	Hydrogen_Bond_Acceptor_Count	6
56759	Isotope_Atom_Count	0
91668	Molecular_Weight	370.5
129655960	Hydrogen_Bond_Donor_Count	2
37545	Undefined_Bond_Stereo_Count	0
3459	Total_Formal_Charge	0
57163928	Isotope_Atom_Count	0
89133905	Hydrogen_Bond_Donor_Count	1
9821941	Structure_Complexity	593
3022	Defined_Atom_Stereo_Count	0
10076625	Defined_Bond_Stereo_Count	0
88889699	Total_Formal_Charge	0
107275	Undefined_Atom_Stereo_Count	2
51003497	Non-hydrogen_Atom_Count	38
59185552	Covalent_Unit_Count	1
12866369	Undefined_Atom_Stereo_Count	2
19254	TPSA	75.3
6603740	Structure_Complexity	401
6607	Isotope_Atom_Count	0
6436924	Isotope_Atom_Count	0
12313981	Undefined_Atom_Stereo_Count	0
81846	Isotope_Atom_Count	0
586	Exact_Mass	131.069476538
6432517	Isotope_Atom_Count	0
2724896	Undefined_Atom_Stereo_Count	0
7464	Exact_Mass	135.104799419
75534860	Structure_Complexity	1220
1550846	Non-hydrogen_Atom_Count	10
135419182	Undefined_Atom_Stereo_Count	0
111727	Hydrogen_Bond_Acceptor_Count	3
52943334	XLogP3-AA	4.1
517000	Defined_Bond_Stereo_Count	0
123223196	TPSA	29.5
684	Hydrogen_Bond_Acceptor_Count	16
40652	Exact_Mass	351.20457303
9806489	Hydrogen_Bond_Donor_Count	2
58	Isotope_Atom_Count	0
9802865	XLogP3	1.9
74329758	Undefined_Atom_Stereo_Count	2
23724967	Covalent_Unit_Count	5
84081255	Isotope_Atom_Count	0
46937007	TPSA	203
90094652	Exact_Mass	115.063328530
76966897	TPSA	557
44629654	Undefined_Atom_Stereo_Count	0
7131	Isotope_Atom_Count	0
3455	Total_Formal_Charge	0
56672413	Covalent_Unit_Count	1
22227703	Isotope_Atom_Count	0
85500	Undefined_Bond_Stereo_Count	0
4478	Hydrogen_Bond_Donor_Count	7
3951	Defined_Atom_Stereo_Count	0
123816513	Defined_Bond_Stereo_Count	0
62542	Defined_Bond_Stereo_Count	0
88490	Defined_Bond_Stereo_Count	0
146682529	Undefined_Atom_Stereo_Count	0
57404062	Exact_Mass	616.34721450
98473	Non-hydrogen_Atom_Count	28
89101416	Defined_Atom_Stereo_Count	0
15036	Molecular_Weight	100.16
135422442	Total_Formal_Charge	0
44571224	Undefined_Bond_Stereo_Count	0
9938326	Isotope_Atom_Count	0
86566	Covalent_Unit_Count	1
81445	Isotope_Atom_Count	0
60196421	Rotatable_Bond_Count	17
22614138	TPSA	0
101254311	Non-hydrogen_Atom_Count	12
25590	Hydrogen_Bond_Donor_Count	3
12536263	Hydrogen_Bond_Donor_Count	3
517985	Structure_Complexity	106
2413	Defined_Atom_Stereo_Count	0
3356829	Defined_Bond_Stereo_Count	0
49868115	Hydrogen_Bond_Acceptor_Count	4
14947250	Isotope_Atom_Count	0
441289	Undefined_Atom_Stereo_Count	0
1197	Non-hydrogen_Atom_Count	20
123525	Tautomer_Count	1
68940	Undefined_Bond_Stereo_Count	0
23430	Defined_Atom_Stereo_Count	0
12702016	Rotatable_Bond_Count	2
11285	Total_Formal_Charge	0
6196	Structure_Complexity	681
77912	Defined_Atom_Stereo_Count	0
90927	Isotope_Atom_Count	0
62551	Defined_Bond_Stereo_Count	0
13032	Total_Formal_Charge	0
72327	Total_Formal_Charge	0
13662	Exact_Mass	173.047678466
18622348	Undefined_Atom_Stereo_Count	0
143289	Hydrogen_Bond_Acceptor_Count	5
3307	Rotatable_Bond_Count	2
50163	TPSA	121
2548	Isotope_Atom_Count	0
135506152	Molecular_Weight	112.09
70697507	Structure_Complexity	516
23253564	Hydrogen_Bond_Donor_Count	3
7015	Defined_Atom_Stereo_Count	0
67462100	Structure_Complexity	592
8125	Exact_Mass	112.125200510
23653584	Exact_Mass	489.1255830
441199	Undefined_Bond_Stereo_Count	0
14129	Undefined_Atom_Stereo_Count	0
541661	XLogP3-AA	1.1
665387	Rotatable_Bond_Count	1
61361	Total_Formal_Charge	0
2795878	Structure_Complexity	94.4
656506	Undefined_Bond_Stereo_Count	1
75358112	Undefined_Bond_Stereo_Count	0
77532	Hydrogen_Bond_Donor_Count	0
5363181	Molecular_Weight	416.6
3572	Covalent_Unit_Count	1
9979	Defined_Atom_Stereo_Count	0
56840877	Isotope_Atom_Count	0
68566969	Hydrogen_Bond_Acceptor_Count	1
54276448	Defined_Atom_Stereo_Count	0
9913	Tautomer_Count	1
403016	Structure_Complexity	775
7968	Rotatable_Bond_Count	0
6505803	XLogP3-AA	2.6
657210	Exact_Mass	203.0713064
71225	Defined_Bond_Stereo_Count	0
26514	Rotatable_Bond_Count	6
13736254	Covalent_Unit_Count	1
14305	Isotope_Atom_Count	0
44144517	Rotatable_Bond_Count	2
25015412	Molecular_Weight	518.6
33838	Hydrogen_Bond_Donor_Count	2
132519	Undefined_Bond_Stereo_Count	0
5354264	Defined_Atom_Stereo_Count	0
54675768	Covalent_Unit_Count	1
13381	Molecular_Weight	140.27
2764874	Exact_Mass	264.07103389
9817140	XLogP3-AA	3.1
14069226	XLogP3-AA	0.1
11659	Mono_Isotopic_Weight	239.77438
54408458	Rotatable_Bond_Count	0
14717795	Molecular_Weight	1265.4
79014	Hydrogen_Bond_Acceptor_Count	3
38911	Molecular_Weight	268.35
449424	Mono_Isotopic_Weight	361.16108550
33515	Hydrogen_Bond_Donor_Count	0
3151	Mono_Isotopic_Weight	425.1618527
2519	Total_Formal_Charge	0
13384041	Molecular_Weight	332.31
24233	Total_Formal_Charge	0
40443	Undefined_Atom_Stereo_Count	3
19425	Covalent_Unit_Count	1
141161	Molecular_Weight	136.3
68658	Mono_Isotopic_Weight	312.1007480
31000	Molecular_Weight	277.23
45357796	Tautomer_Count	1
1566	Total_Formal_Charge	0
79476	Molecular_Weight	248.4
9048976	Covalent_Unit_Count	1
227244	Defined_Atom_Stereo_Count	0
98053103	Defined_Atom_Stereo_Count	3
23173	Structure_Complexity	204
83669972	XLogP3-AA	0.2
54601151	Defined_Atom_Stereo_Count	6
21081761	XLogP3-AA	4.1
6321405	Mono_Isotopic_Weight	154.135765193
21875354	Covalent_Unit_Count	1
2426	Isotope_Atom_Count	0
2737121	Undefined_Bond_Stereo_Count	0
11105314	XLogP3-AA	0.3
1596	Covalent_Unit_Count	1
139085	Rotatable_Bond_Count	0
76223860	Isotope_Atom_Count	0
639970	Isotope_Atom_Count	0
19782027	Defined_Bond_Stereo_Count	0
941651	Covalent_Unit_Count	1
40781	Hydrogen_Bond_Donor_Count	0
139833631	Exact_Mass	107.048347172
85768913	Mono_Isotopic_Weight	95.073499291
12546243	Rotatable_Bond_Count	0
13138140	Hydrogen_Bond_Acceptor_Count	14
74441500	Isotope_Atom_Count	0
92855	Covalent_Unit_Count	1
11552706	Defined_Bond_Stereo_Count	0
14791281	Non-hydrogen_Atom_Count	13
85944292	Hydrogen_Bond_Acceptor_Count	1
12202	Rotatable_Bond_Count	6
51021	Hydrogen_Bond_Acceptor_Count	5
10909508	Undefined_Bond_Stereo_Count	0
144915389	Rotatable_Bond_Count	0
1201479	Isotope_Atom_Count	0
71301276	Hydrogen_Bond_Acceptor_Count	3
6456015	Covalent_Unit_Count	2
2003	Mono_Isotopic_Weight	245.116426730
119057560	Non-hydrogen_Atom_Count	52
31005	TPSA	18.5
10432339	Covalent_Unit_Count	1
38081	Covalent_Unit_Count	1
101142080	Undefined_Bond_Stereo_Count	0
135921134	Structure_Complexity	1620
641496	Structure_Complexity	81.8
3049771	Non-hydrogen_Atom_Count	12
50905713	Total_Formal_Charge	0
18596	Covalent_Unit_Count	2
192912	Exact_Mass	286.83642
9960287	Rotatable_Bond_Count	10
564996	Defined_Atom_Stereo_Count	0
53881088	Mono_Isotopic_Weight	111.032028402
12967	Exact_Mass	117.053826475
51763	Undefined_Bond_Stereo_Count	0
5359421	Mono_Isotopic_Weight	287.15214353
41628	Non-hydrogen_Atom_Count	28
22178808	Isotope_Atom_Count	0
145755	Rotatable_Bond_Count	0
12285863	Non-hydrogen_Atom_Count	12
146157761	Hydrogen_Bond_Donor_Count	3
13427567	Structure_Complexity	54.5
11287722	Exact_Mass	232.10341969
683253	Undefined_Bond_Stereo_Count	0
12865500	Exact_Mass	116.083729621
2206	Undefined_Atom_Stereo_Count	0
134129858	Molecular_Weight	439.0
554	Defined_Bond_Stereo_Count	0
5478936	Non-hydrogen_Atom_Count	39
252372	Defined_Bond_Stereo_Count	0
129888394	Mono_Isotopic_Weight	108.057514874
5462099	Tautomer_Count	1
40960	Isotope_Atom_Count	0
126970904	Non-hydrogen_Atom_Count	8
5370481	TPSA	74.6
160722	Covalent_Unit_Count	1
2712	Non-hydrogen_Atom_Count	21
35758	Defined_Atom_Stereo_Count	0
58611	Defined_Bond_Stereo_Count	0
1449	Defined_Atom_Stereo_Count	0
54697325	Total_Formal_Charge	0
3964633	Rotatable_Bond_Count	4
71268957	Total_Formal_Charge	0
70355	Tautomer_Count	1
283654	Mono_Isotopic_Weight	264.13615911
5281071	Hydrogen_Bond_Acceptor_Count	4
85859899	XLogP3-AA	0
96316	TPSA	40.5
9892539	Hydrogen_Bond_Acceptor_Count	7
10219398	Total_Formal_Charge	0
5232423	Hydrogen_Bond_Acceptor_Count	3
82111162	Mono_Isotopic_Weight	115.099714038
12002176	Total_Formal_Charge	0
5184	Tautomer_Count	1
163285106	XLogP3-AA	6.8
131704172	Covalent_Unit_Count	2
15457	Structure_Complexity	43.3
44521023	Defined_Bond_Stereo_Count	0
13748	Hydrogen_Bond_Donor_Count	1
51086	Covalent_Unit_Count	1
28064676	Non-hydrogen_Atom_Count	7
450349	Structure_Complexity	31
20623563	Mono_Isotopic_Weight	109.052763847
2795425	Hydrogen_Bond_Donor_Count	0
90779122	Undefined_Bond_Stereo_Count	0
84221363	Defined_Atom_Stereo_Count	0
135430945	Total_Formal_Charge	0
18617909	Undefined_Bond_Stereo_Count	0
61100	Undefined_Bond_Stereo_Count	0
165637859	Total_Formal_Charge	0
3033818	Non-hydrogen_Atom_Count	24
54584797	Exact_Mass	300.16379146
69052440	Hydrogen_Bond_Donor_Count	8
3008	Hydrogen_Bond_Donor_Count	0
102491	Defined_Atom_Stereo_Count	0
10002900	Rotatable_Bond_Count	6
970	Hydrogen_Bond_Acceptor_Count	5
35399	Total_Formal_Charge	0
138024	Mono_Isotopic_Weight	106.078250319
544553	TPSA	43.4
5462951	Exact_Mass	118.078250319
65605	Exact_Mass	364.17869263
158038961	Hydrogen_Bond_Acceptor_Count	1
62098	Rotatable_Bond_Count	3
5917	Exact_Mass	138.090546336
5391	Undefined_Atom_Stereo_Count	1
452975	Hydrogen_Bond_Acceptor_Count	22
72026	Molecular_Weight	326.4
10430619	Undefined_Bond_Stereo_Count	0
25954	Defined_Bond_Stereo_Count	0
138062	Non-hydrogen_Atom_Count	7
60196332	Undefined_Atom_Stereo_Count	0
108043	Undefined_Bond_Stereo_Count	0
160883	Hydrogen_Bond_Acceptor_Count	4
4155932	Defined_Bond_Stereo_Count	0
10263	Hydrogen_Bond_Donor_Count	0
31224	Hydrogen_Bond_Donor_Count	0
9956	Undefined_Bond_Stereo_Count	0
440552	Isotope_Atom_Count	0
8554	Tautomer_Count	1
63333521	Rotatable_Bond_Count	0
75040	Hydrogen_Bond_Acceptor_Count	1
5351564	Tautomer_Count	1
71562042	Hydrogen_Bond_Acceptor_Count	9
12785	Hydrogen_Bond_Donor_Count	2
521459	Mono_Isotopic_Weight	49.0078250319
53340426	Isotope_Atom_Count	0
89371029	Defined_Bond_Stereo_Count	0
68316842	Isotope_Atom_Count	0
37541	Covalent_Unit_Count	1
7766	XLogP3	1.2
86446	Molecular_Weight	282.36
9827982	Defined_Atom_Stereo_Count	0
9856149	XLogP3-AA	5.2
92834	XLogP3-AA	2.5
86210	Total_Formal_Charge	0
13543206	Non-hydrogen_Atom_Count	6
801132	Molecular_Weight	331.4
634470	XLogP3-AA	3.9
21802862	Exact_Mass	114.042927438
71184	XLogP3-AA	1
32681	XLogP3-AA	4.5
2604	Hydrogen_Bond_Acceptor_Count	4
626732	Mono_Isotopic_Weight	330.21949481
27492	Defined_Bond_Stereo_Count	0
147078	TPSA	156
9845622	Mono_Isotopic_Weight	431.15801676
165154846	Mono_Isotopic_Weight	112.052429494
58126	Non-hydrogen_Atom_Count	15
35717	Exact_Mass	221.08993720
23180086	Hydrogen_Bond_Acceptor_Count	3
4797	Undefined_Bond_Stereo_Count	0
23695767	Molecular_Weight	372.3
68503813	Rotatable_Bond_Count	0
615	Mono_Isotopic_Weight	230.01915430
12991988	Exact_Mass	396.06121838
27236	Undefined_Bond_Stereo_Count	0
1565	Defined_Bond_Stereo_Count	0
2437245	Isotope_Atom_Count	0
3955599	Isotope_Atom_Count	0
68790	Defined_Bond_Stereo_Count	0
6918580	Covalent_Unit_Count	3
85491	Covalent_Unit_Count	1
149236349	Undefined_Bond_Stereo_Count	0
317681	Undefined_Atom_Stereo_Count	0
11717831	Structure_Complexity	629
55511	Non-hydrogen_Atom_Count	17
14870212	Defined_Bond_Stereo_Count	0
54680692	Rotatable_Bond_Count	3
139024271	Defined_Bond_Stereo_Count	0
781234	TPSA	48.9
12497562	Undefined_Atom_Stereo_Count	1
146171122	TPSA	104
104865206	Molecular_Weight	117.15
212	Defined_Atom_Stereo_Count	0
584	Undefined_Atom_Stereo_Count	1
68789	Exact_Mass	295.19475723
163698895	XLogP3-AA	0
446378	Tautomer_Count	1
16004722	Isotope_Atom_Count	0
101254309	Defined_Bond_Stereo_Count	0
76957620	Exact_Mass	383.1627620
86646597	Mono_Isotopic_Weight	281.05442107
5311130	Non-hydrogen_Atom_Count	31
9570290	TPSA	95.9
10887844	Defined_Bond_Stereo_Count	0
10772936	Hydrogen_Bond_Acceptor_Count	1
377	Hydrogen_Bond_Donor_Count	6
179	Rotatable_Bond_Count	1
19350299	TPSA	54.3
136729	Defined_Atom_Stereo_Count	0
14063315	Undefined_Bond_Stereo_Count	0
163050677	Molecular_Weight	284.35
25271892	Undefined_Bond_Stereo_Count	0
135566433	Defined_Atom_Stereo_Count	0
11800	Non-hydrogen_Atom_Count	16
57038995	Non-hydrogen_Atom_Count	7
55191	Defined_Atom_Stereo_Count	0
71584421	Molecular_Weight	426.5
11350701	Exact_Mass	421.1656007
101707	Non-hydrogen_Atom_Count	18
80277	Defined_Bond_Stereo_Count	0
129148	Covalent_Unit_Count	1
122662800	Molecular_Weight	114.15
134032	Structure_Complexity	605
297691	Mono_Isotopic_Weight	335.9778561
5281698	TPSA	116
18462872	Exact_Mass	115.063328530
2472	Hydrogen_Bond_Donor_Count	1
65125	Mono_Isotopic_Weight	112.03851076
91468	Hydrogen_Bond_Donor_Count	0
94350	Structure_Complexity	1480
7850	Tautomer_Count	1
23724878	Mono_Isotopic_Weight	1814.6085580
71196	Molecular_Weight	387.5
3283968	Exact_Mass	118.062994177
294864	Defined_Atom_Stereo_Count	0
70687387	Isotope_Atom_Count	0
838868	Mono_Isotopic_Weight	187.063328530
643976	Structure_Complexity	844
9855445	Rotatable_Bond_Count	1
701083	TPSA	95.6
141070	Isotope_Atom_Count	0
3597	Total_Formal_Charge	0
53756508	XLogP3-AA	0.1
11702	Hydrogen_Bond_Donor_Count	1
17910644	Non-hydrogen_Atom_Count	8
42334	Defined_Atom_Stereo_Count	0
44342925	Defined_Atom_Stereo_Count	2
13432441	Undefined_Atom_Stereo_Count	1
78959	Structure_Complexity	75.1
10079877	Molecular_Weight	1111.3
53714679	Rotatable_Bond_Count	0
70433668	Exact_Mass	114.068079557
68195	Undefined_Atom_Stereo_Count	0
105053	Undefined_Atom_Stereo_Count	0
20082658	Undefined_Atom_Stereo_Count	1
11284169	Rotatable_Bond_Count	3
69027241	Mono_Isotopic_Weight	95.037113783
9301	Mono_Isotopic_Weight	235.02079
22833567	Exact_Mass	318.255880323
49855492	Non-hydrogen_Atom_Count	27
219105	XLogP3	1.4
826479	Isotope_Atom_Count	0
34844	Hydrogen_Bond_Acceptor_Count	6
62858	Defined_Atom_Stereo_Count	2
637520	Rotatable_Bond_Count	3
16220118	Isotope_Atom_Count	0
53151	Molecular_Weight	120.11
7124	Molecular_Weight	173.17
64505	Covalent_Unit_Count	1
16694	Hydrogen_Bond_Acceptor_Count	0
14951968	Non-hydrogen_Atom_Count	8
142107	Hydrogen_Bond_Acceptor_Count	1
11349389	TPSA	61.8
71167	Hydrogen_Bond_Acceptor_Count	1
10000989	TPSA	68
22481042	Undefined_Bond_Stereo_Count	0
60196363	Covalent_Unit_Count	1
6803597	Non-hydrogen_Atom_Count	26
1479	Non-hydrogen_Atom_Count	24
9930448	Defined_Bond_Stereo_Count	0
10297065	Non-hydrogen_Atom_Count	30
825522	Undefined_Bond_Stereo_Count	0
21417010	Defined_Bond_Stereo_Count	0
16212182	Total_Formal_Charge	0
58618968	Total_Formal_Charge	0
9828310	Exact_Mass	527.31707780
21192814	Hydrogen_Bond_Acceptor_Count	4
88154	Mono_Isotopic_Weight	252.17254462
547995	Exact_Mass	102.115698455
129894493	Structure_Complexity	2220
1219914	Undefined_Atom_Stereo_Count	0
11210	XLogP3-AA	2.7
109325	Exact_Mass	221.9753576
62878	Defined_Bond_Stereo_Count	0
5440	Rotatable_Bond_Count	6
74828	Molecular_Weight	136.62
44359653	Undefined_Bond_Stereo_Count	0
43234	XLogP3	3.5
7181	Hydrogen_Bond_Donor_Count	2
546259	Defined_Atom_Stereo_Count	0
24181476	Exact_Mass	220.89796
51971	Molecular_Weight	284.4
5273621	Structure_Complexity	371
5365369	Molecular_Weight	337.6
6179	Non-hydrogen_Atom_Count	10
40473193	Isotope_Atom_Count	0
128600	Defined_Bond_Stereo_Count	0
9419	Isotope_Atom_Count	0
1752	Rotatable_Bond_Count	8
170366	Hydrogen_Bond_Donor_Count	0
7870	Molecular_Weight	118.17
21922314	Defined_Atom_Stereo_Count	0
18467	Total_Formal_Charge	0
28125489	Undefined_Bond_Stereo_Count	0
138107	Non-hydrogen_Atom_Count	6
73828	XLogP3-AA	2.1
90429111	TPSA	58.6
3599	TPSA	58.6
92321	Total_Formal_Charge	0
129709955	Exact_Mass	250.172150702
51987	Exact_Mass	274.98071
71296969	TPSA	143
99915	Hydrogen_Bond_Acceptor_Count	2
76736	Tautomer_Count	1
59819	Total_Formal_Charge	1
21895383	TPSA	54.6
12285892	Exact_Mass	182.07594159
19810797	Undefined_Atom_Stereo_Count	1
6934	TPSA	88.8
18278	Hydrogen_Bond_Donor_Count	4
5326713	Hydrogen_Bond_Donor_Count	0
71697	Exact_Mass	304.0866221
724	Tautomer_Count	1
191120	Molecular_Weight	176.17
129514	Mono_Isotopic_Weight	431.01883720
14812	Exact_Mass	283.84419418
23190	Defined_Atom_Stereo_Count	4
10666310	Defined_Atom_Stereo_Count	5
5284469	Total_Formal_Charge	0
9847241	Covalent_Unit_Count	2
136305444	TPSA	41.8
66323	Undefined_Bond_Stereo_Count	0
135455579	Rotatable_Bond_Count	7
83063	Non-hydrogen_Atom_Count	13
12542141	TPSA	17.1
14029615	Exact_Mass	168.151415257
3346	Exact_Mass	278.02002368
4185	TPSA	164
15061530	Undefined_Atom_Stereo_Count	0
116225458	Exact_Mass	112.088815002
123239	Isotope_Atom_Count	0
669846	Undefined_Atom_Stereo_Count	0
67518639	Defined_Atom_Stereo_Count	3
101815861	Exact_Mass	273.870525
54758585	Hydrogen_Bond_Donor_Count	5
27304	Isotope_Atom_Count	0
52355	Molecular_Weight	292.29
159271	Total_Formal_Charge	0
34515	Undefined_Atom_Stereo_Count	2
141048867	Isotope_Atom_Count	0
46437	Hydrogen_Bond_Acceptor_Count	1
3283	Isotope_Atom_Count	0
1412	Undefined_Atom_Stereo_Count	1
7859	Exact_Mass	56.026214747
72015	Hydrogen_Bond_Donor_Count	3
68921	Non-hydrogen_Atom_Count	33
115087054	Covalent_Unit_Count	1
528603	Hydrogen_Bond_Donor_Count	1
10049	XLogP3	2.7
17279	Defined_Atom_Stereo_Count	0
9956119	Tautomer_Count	14
104802	TPSA	223
1419	Hydrogen_Bond_Donor_Count	0
20769	Hydrogen_Bond_Donor_Count	0
11261	Structure_Complexity	43.4
91384976	Isotope_Atom_Count	0
157599173	Undefined_Atom_Stereo_Count	1
50993881	Hydrogen_Bond_Donor_Count	3
441407	Non-hydrogen_Atom_Count	30
10892838	Total_Formal_Charge	0
164695	Rotatable_Bond_Count	2
547676	Non-hydrogen_Atom_Count	7
114905	Hydrogen_Bond_Acceptor_Count	9
2570	Rotatable_Bond_Count	2
53717135	Defined_Atom_Stereo_Count	0
10486501	Rotatable_Bond_Count	15
639391	Hydrogen_Bond_Acceptor_Count	3
3665684	Hydrogen_Bond_Donor_Count	0
13348970	Isotope_Atom_Count	0
13639661	Molecular_Weight	116.11
38531	Structure_Complexity	310
180494	Rotatable_Bond_Count	2
12219458	Undefined_Bond_Stereo_Count	0
97656	Defined_Bond_Stereo_Count	0
62580	Covalent_Unit_Count	1
62485	Structure_Complexity	417
54608508	Defined_Bond_Stereo_Count	2
21031	Rotatable_Bond_Count	0
164158597	Non-hydrogen_Atom_Count	8
11002	Covalent_Unit_Count	1
10447660	XLogP3-AA	2.8
638047	Rotatable_Bond_Count	2
6677	Defined_Bond_Stereo_Count	0
15485370	Isotope_Atom_Count	0
123962351	TPSA	0
69503325	Rotatable_Bond_Count	0
7091	Structure_Complexity	140
21872496	Defined_Bond_Stereo_Count	0
53767921	Defined_Bond_Stereo_Count	0
90427261	Non-hydrogen_Atom_Count	8
3730	Non-hydrogen_Atom_Count	34
14912114	Covalent_Unit_Count	1
126969014	TPSA	132
136069	Defined_Bond_Stereo_Count	0
96386	Undefined_Bond_Stereo_Count	0
10947	Covalent_Unit_Count	1
54712667	Total_Formal_Charge	0
102318232	Hydrogen_Bond_Donor_Count	1
154479899	Undefined_Atom_Stereo_Count	3
59310309	Covalent_Unit_Count	1
20735704	Non-hydrogen_Atom_Count	7
53883934	Isotope_Atom_Count	0
13568	XLogP3-AA	2.3
456557	Structure_Complexity	871
102447462	TPSA	110
272079	Non-hydrogen_Atom_Count	8
5361	Defined_Atom_Stereo_Count	0
25184541	Covalent_Unit_Count	1
135445969	Defined_Bond_Stereo_Count	0
2724640	Hydrogen_Bond_Donor_Count	2
123173	Defined_Atom_Stereo_Count	0
54556023	Hydrogen_Bond_Acceptor_Count	2
61583	Defined_Bond_Stereo_Count	0
448055	XLogP3-AA	2.2
5371578	Undefined_Bond_Stereo_Count	0
952882	Isotope_Atom_Count	0
28264	Non-hydrogen_Atom_Count	8
2082	Structure_Complexity	291
11305985	Defined_Bond_Stereo_Count	0
11957378	Structure_Complexity	755
91386640	Exact_Mass	101.084063974
2451	XLogP3	2.8
104940	Exact_Mass	338.07903816
86101	TPSA	50.8
3243	Hydrogen_Bond_Acceptor_Count	2
69722	Molecular_Weight	192.19
8310	Non-hydrogen_Atom_Count	20
41462	Hydrogen_Bond_Donor_Count	1
518818	Defined_Atom_Stereo_Count	0
3015798	TPSA	90.7
139043493	Defined_Atom_Stereo_Count	0
90472770	Structure_Complexity	151
21541699	Covalent_Unit_Count	1
10374415	Hydrogen_Bond_Donor_Count	1
56663313	Undefined_Bond_Stereo_Count	0
131398469	Mono_Isotopic_Weight	111.068413911
49868370	XLogP3	0.9
85945952	Hydrogen_Bond_Acceptor_Count	2
398595	Mono_Isotopic_Weight	321.17796
11448496	Non-hydrogen_Atom_Count	11
20323899	Covalent_Unit_Count	1
12375	Tautomer_Count	1
162652	Covalent_Unit_Count	1
79244	Total_Formal_Charge	0
92041	Mono_Isotopic_Weight	158.04915563
11197252	Defined_Bond_Stereo_Count	0
71357579	Exact_Mass	115.099714038
5591	Hydrogen_Bond_Donor_Count	2
17818	Covalent_Unit_Count	1
3308	Defined_Bond_Stereo_Count	0
96198	Defined_Atom_Stereo_Count	0
11617559	Total_Formal_Charge	0
70692444	Molecular_Weight	291.5
14812	Undefined_Atom_Stereo_Count	0
12286866	TPSA	33
81093	Undefined_Bond_Stereo_Count	0
21798491	Mono_Isotopic_Weight	114.079312947
21750168	Exact_Mass	128.047344113
129009953	Defined_Bond_Stereo_Count	0
22120552	Defined_Atom_Stereo_Count	0
10197660	Structure_Complexity	139
6368	Undefined_Atom_Stereo_Count	0
9905438	Structure_Complexity	393
123554527	TPSA	25.8
57390867	Defined_Bond_Stereo_Count	0
87187677	Covalent_Unit_Count	1
69264	Defined_Bond_Stereo_Count	0
71208	Covalent_Unit_Count	1
5284461	TPSA	121
85605344	Covalent_Unit_Count	1
56629862	Hydrogen_Bond_Acceptor_Count	2
159603	Exact_Mass	314.17427596
13397	TPSA	20.2
13073879	XLogP3-AA	0
145705672	Structure_Complexity	784
17549	Covalent_Unit_Count	1
45358040	Undefined_Bond_Stereo_Count	0
87428	Non-hydrogen_Atom_Count	15
80690	Tautomer_Count	16
44521024	Non-hydrogen_Atom_Count	34
12708563	Structure_Complexity	62.8
11569	Undefined_Bond_Stereo_Count	0
9460	Tautomer_Count	1
193504	Rotatable_Bond_Count	3
24870668	XLogP3-AA	2.1
63935844	Rotatable_Bond_Count	1
90488914	Undefined_Atom_Stereo_Count	2
6780	Structure_Complexity	261
11954009	Tautomer_Count	105
696	Structure_Complexity	220
88981819	Total_Formal_Charge	0
70837	Hydrogen_Bond_Donor_Count	3
57681561	Undefined_Atom_Stereo_Count	0
20725561	Undefined_Atom_Stereo_Count	0
78352	Undefined_Atom_Stereo_Count	0
43262	TPSA	80.6
987917	Undefined_Atom_Stereo_Count	0
10864881	Exact_Mass	114.068079557
11408688	Covalent_Unit_Count	2
15983287	Undefined_Bond_Stereo_Count	0
18413907	Mono_Isotopic_Weight	95.073499291
27323	Hydrogen_Bond_Acceptor_Count	2
36094	Covalent_Unit_Count	2
11672905	Undefined_Bond_Stereo_Count	0
137705114	Structure_Complexity	415
22220113	Rotatable_Bond_Count	1
507806	TPSA	105
14792	Mono_Isotopic_Weight	39.9799563
47965	Covalent_Unit_Count	1
165971	Molecular_Weight	151.990
53507	XLogP3	3.9
25588	Defined_Bond_Stereo_Count	0
1549133	Hydrogen_Bond_Acceptor_Count	4
47640	Defined_Atom_Stereo_Count	0
74764517	Isotope_Atom_Count	0
4369563	Rotatable_Bond_Count	2
11980076	Tautomer_Count	1000
226108	Exact_Mass	116.058577502
54353190	Undefined_Bond_Stereo_Count	0
85865	Hydrogen_Bond_Donor_Count	1
546996	Hydrogen_Bond_Acceptor_Count	1
5743835	Non-hydrogen_Atom_Count	19
81885	TPSA	27.7
83694167	TPSA	12
10820486	Total_Formal_Charge	0
63935844	Undefined_Bond_Stereo_Count	0
123979022	Undefined_Bond_Stereo_Count	0
123385	Defined_Atom_Stereo_Count	0
638071	Hydrogen_Bond_Acceptor_Count	0
4274588	TPSA	69.6
154269	Molecular_Weight	164.11
303830	Hydrogen_Bond_Donor_Count	0
65478	Hydrogen_Bond_Acceptor_Count	9
44195571	Mono_Isotopic_Weight	521.22498894
16247	Undefined_Atom_Stereo_Count	0
18769554	Isotope_Atom_Count	0
129872373	XLogP3-AA	0.2
65726	Tautomer_Count	10
25007799	Covalent_Unit_Count	1
129831062	Undefined_Atom_Stereo_Count	0
449035	Mono_Isotopic_Weight	299.12699141
5491612	Covalent_Unit_Count	1
72099	Defined_Bond_Stereo_Count	0
69595	Undefined_Atom_Stereo_Count	0
22563	Structure_Complexity	142
75622	Undefined_Atom_Stereo_Count	0
6299	Mono_Isotopic_Weight	404.413049667
4806	XLogP3	1.1
76302	XLogP3	4.9
6603759	Undefined_Bond_Stereo_Count	0
134692352	Hydrogen_Bond_Donor_Count	3
40473404	Undefined_Atom_Stereo_Count	0
156	Mono_Isotopic_Weight	136.074896272
118451841	Rotatable_Bond_Count	0
6326	Rotatable_Bond_Count	0
649	Isotope_Atom_Count	0
6093	Undefined_Atom_Stereo_Count	0
535717	Molecular_Weight	99.13
50962	Tautomer_Count	5
23387261	Molecular_Weight	112.17
443944	Tautomer_Count	6
60627	Structure_Complexity	539
23368	Isotope_Atom_Count	0
21492261	Defined_Atom_Stereo_Count	0
75534859	Covalent_Unit_Count	1
21816393	XLogP3-AA	0.4
18696583	Molecular_Weight	102.18
16054	Covalent_Unit_Count	1
34800	TPSA	25.8
71624581	Undefined_Bond_Stereo_Count	0
17736	Hydrogen_Bond_Acceptor_Count	0
140511	Defined_Atom_Stereo_Count	0
79450	Mono_Isotopic_Weight	136.063662883
11492381	Hydrogen_Bond_Donor_Count	0
71311382	Total_Formal_Charge	0
23616570	Molecular_Weight	359.9
13374320	Hydrogen_Bond_Donor_Count	1
556685	Rotatable_Bond_Count	0
18069	Covalent_Unit_Count	1
135449284	Isotope_Atom_Count	0
60976	Molecular_Weight	215.23
231934	Defined_Bond_Stereo_Count	1
4497	Undefined_Atom_Stereo_Count	1
46216796	XLogP3-AA	3.8
8737	Hydrogen_Bond_Donor_Count	4
96354	Defined_Bond_Stereo_Count	0
2736548	Undefined_Bond_Stereo_Count	0
23980	Hydrogen_Bond_Acceptor_Count	0
3047855	TPSA	295
90853172	Isotope_Atom_Count	0
8567	Tautomer_Count	1
11151622	Covalent_Unit_Count	1
47320	Molecular_Weight	1243.5
6834	Structure_Complexity	249
11046239	Tautomer_Count	1
60150330	TPSA	63.3
11029779	Defined_Bond_Stereo_Count	0
3169	Exact_Mass	236.152477885
40839	Covalent_Unit_Count	1
49652396	Non-hydrogen_Atom_Count	85
3035657	Isotope_Atom_Count	0
664081	Total_Formal_Charge	0
20949	Defined_Atom_Stereo_Count	0
53276	Undefined_Atom_Stereo_Count	0
21753162	TPSA	55.6
2308	Molecular_Weight	408.9
12332146	Defined_Atom_Stereo_Count	0
45120722	Rotatable_Bond_Count	0
7702	Rotatable_Bond_Count	3
21331354	Non-hydrogen_Atom_Count	8
774599	Defined_Atom_Stereo_Count	0
308140	Mono_Isotopic_Weight	374.07903816
10250	Hydrogen_Bond_Donor_Count	2
12062378	TPSA	26
62705690	Covalent_Unit_Count	1
58154	Undefined_Atom_Stereo_Count	0
94972	Defined_Atom_Stereo_Count	0
45026	Isotope_Atom_Count	0
23362267	Non-hydrogen_Atom_Count	8
9888340	Undefined_Bond_Stereo_Count	0
67621	XLogP3-AA	2.8
5359853	Defined_Atom_Stereo_Count	0
22580	Hydrogen_Bond_Donor_Count	3
17763680	Hydrogen_Bond_Donor_Count	2
75755	Undefined_Bond_Stereo_Count	0
133633	Defined_Bond_Stereo_Count	0
101606430	Non-hydrogen_Atom_Count	36
12578534	Defined_Bond_Stereo_Count	0
66425	Total_Formal_Charge	0
59082714	Undefined_Bond_Stereo_Count	0
131700219	Isotope_Atom_Count	10
8424	Covalent_Unit_Count	1
15001198	Hydrogen_Bond_Acceptor_Count	0
5463599	Structure_Complexity	62.1
7309	Defined_Bond_Stereo_Count	0
162	Hydrogen_Bond_Acceptor_Count	5
134	XLogP3-AA	0.1
101598717	Covalent_Unit_Count	1
1091	Hydrogen_Bond_Donor_Count	2
23056	Mono_Isotopic_Weight	337.16779360
24757913	TPSA	206
10407447	Defined_Atom_Stereo_Count	8
10100	Defined_Bond_Stereo_Count	0
68546	TPSA	107
904	Covalent_Unit_Count	1
928	Structure_Complexity	1230
11349505	Exact_Mass	379.0888035
28858	Defined_Bond_Stereo_Count	0
19830271	Hydrogen_Bond_Acceptor_Count	1
1745	Hydrogen_Bond_Donor_Count	2
87609775	Defined_Atom_Stereo_Count	2
123195542	Structure_Complexity	74.2
52941677	Hydrogen_Bond_Donor_Count	1
12856218	Isotope_Atom_Count	0
459494	Covalent_Unit_Count	1
11497646	Defined_Bond_Stereo_Count	0
44237094	XLogP3-AA	3.1
135402009	Total_Formal_Charge	0
4911	Non-hydrogen_Atom_Count	19
9840857	Hydrogen_Bond_Acceptor_Count	3
11126249	Total_Formal_Charge	0
2779183	Non-hydrogen_Atom_Count	11
22832	Structure_Complexity	1640
13404	Non-hydrogen_Atom_Count	10
317678	Defined_Atom_Stereo_Count	0
65728	Mono_Isotopic_Weight	386.354866087
65590	TPSA	26
11007917	Rotatable_Bond_Count	5
11657	Non-hydrogen_Atom_Count	4
9877346	Molecular_Weight	100.12
64154	Isotope_Atom_Count	0
11207	Non-hydrogen_Atom_Count	5
66616	Defined_Bond_Stereo_Count	0
12529691	Undefined_Bond_Stereo_Count	0
20638380	Total_Formal_Charge	0
105031	Defined_Bond_Stereo_Count	0
166450050	Defined_Atom_Stereo_Count	0
431097	XLogP3-AA	0.8
73306	Defined_Bond_Stereo_Count	0
22055193	Covalent_Unit_Count	1
1127	Non-hydrogen_Atom_Count	5
7107	Defined_Bond_Stereo_Count	0
62705861	Non-hydrogen_Atom_Count	35
118984404	Hydrogen_Bond_Acceptor_Count	6
121290492	Covalent_Unit_Count	1
89737	Undefined_Atom_Stereo_Count	0
6245	Defined_Atom_Stereo_Count	4
76428	TPSA	45.8
12902	Hydrogen_Bond_Acceptor_Count	1
22998467	Undefined_Bond_Stereo_Count	0
28417	Tautomer_Count	1
53734126	TPSA	55.1
3641	Exact_Mass	404.21988874
3035905	Hydrogen_Bond_Acceptor_Count	2
30856	Undefined_Atom_Stereo_Count	0
13465757	Structure_Complexity	261
87605	Molecular_Weight	116.20
140269	TPSA	0
129849	Hydrogen_Bond_Donor_Count	1
67371	Hydrogen_Bond_Donor_Count	2
6521	Total_Formal_Charge	0
21136198	TPSA	18.5
44593340	Total_Formal_Charge	0
27435	TPSA	47.9
2822	Isotope_Atom_Count	0
66776828	Undefined_Bond_Stereo_Count	0
135738852	Mono_Isotopic_Weight	842.51400504
3000579	Defined_Bond_Stereo_Count	0
66727	TPSA	42.2
10034581	Undefined_Atom_Stereo_Count	0
5310957	Covalent_Unit_Count	1
199543	Molecular_Weight	108.09
88789571	Hydrogen_Bond_Acceptor_Count	1
5280492	Total_Formal_Charge	0
98442	Hydrogen_Bond_Donor_Count	0
96393	Structure_Complexity	97.1
160078	Defined_Atom_Stereo_Count	0
28346	Total_Formal_Charge	0
23567801	Defined_Atom_Stereo_Count	0
1519	Undefined_Bond_Stereo_Count	0
17816	Defined_Atom_Stereo_Count	0
86042	Undefined_Atom_Stereo_Count	1
17907603	TPSA	37.3
158800	Undefined_Atom_Stereo_Count	0
14710	Total_Formal_Charge	0
5903	Mono_Isotopic_Weight	570.25120612
134693946	TPSA	180
16654980	Covalent_Unit_Count	1
56955954	Defined_Atom_Stereo_Count	0
32603	Exact_Mass	504.1462019
4443516	Undefined_Atom_Stereo_Count	1
23355	TPSA	72.7
21120209	Hydrogen_Bond_Donor_Count	1
252139	Undefined_Bond_Stereo_Count	0
71310221	Rotatable_Bond_Count	16
130354549	Molecular_Weight	100.12
627254	Undefined_Bond_Stereo_Count	0
494	Defined_Atom_Stereo_Count	0
36255	TPSA	163
17380	Undefined_Atom_Stereo_Count	2
58485	Exact_Mass	198.09391764
570603	Mono_Isotopic_Weight	106.053098200
66673773	TPSA	41.5
472335	Non-hydrogen_Atom_Count	29
1892	Exact_Mass	224.09094026
31331	Tautomer_Count	1
11167602	Rotatable_Bond_Count	5
83938	Total_Formal_Charge	0
198016	Isotope_Atom_Count	0
1549992	Molecular_Weight	222.37
178438	Tautomer_Count	1
42608159	Hydrogen_Bond_Acceptor_Count	0
10456134	Mono_Isotopic_Weight	444.25118886
23163355	Hydrogen_Bond_Acceptor_Count	3
21867906	Rotatable_Bond_Count	3
656404	XLogP3-AA	4.6
62118	Defined_Atom_Stereo_Count	0
96393	TPSA	38
9949648	Exact_Mass	336.183778013
139035087	Defined_Atom_Stereo_Count	0
1032	Defined_Atom_Stereo_Count	0
86287525	Exact_Mass	353.0679523
3055	Undefined_Bond_Stereo_Count	0
28037	Undefined_Atom_Stereo_Count	0
101718251	Total_Formal_Charge	0
693502	Isotope_Atom_Count	0
21706433	Molecular_Weight	99.13
5353758	Defined_Atom_Stereo_Count	0
19755826	TPSA	29.1
44368	Covalent_Unit_Count	1
68075820	Undefined_Atom_Stereo_Count	3
5019	Hydrogen_Bond_Donor_Count	3
632910	Exact_Mass	386.260965704
9820008	Defined_Bond_Stereo_Count	0
24812731	Exact_Mass	455.09679023
20306902	Covalent_Unit_Count	1
57484773	Hydrogen_Bond_Donor_Count	0
21889836	Structure_Complexity	1240
102967	TPSA	18.5
57441855	Structure_Complexity	578
11254	Mono_Isotopic_Weight	86.036779430
53815669	Hydrogen_Bond_Acceptor_Count	2
136183446	Undefined_Bond_Stereo_Count	0
20587905	Covalent_Unit_Count	2
44627	Hydrogen_Bond_Acceptor_Count	3
24944555	Hydrogen_Bond_Donor_Count	0
37631	Defined_Bond_Stereo_Count	0
84647642	Total_Formal_Charge	0
9707	Defined_Bond_Stereo_Count	0
23974	Undefined_Bond_Stereo_Count	0
453077	XLogP3-AA	3.2
13804427	Structure_Complexity	91.9
19997	Isotope_Atom_Count	0
567118	Non-hydrogen_Atom_Count	7
58550597	Total_Formal_Charge	0
87661	Tautomer_Count	1
55289898	Total_Formal_Charge	0
656587	Covalent_Unit_Count	2
68297	XLogP3-AA	2.8
36037	Mono_Isotopic_Weight	267.173547683
87348	Mono_Isotopic_Weight	332.10840961
24807310	TPSA	73.8
454	TPSA	17.1
23682789	Exact_Mass	452.09440780
67947	Rotatable_Bond_Count	1
15567528	TPSA	41.1
16134490	Hydrogen_Bond_Acceptor_Count	16
65723	Undefined_Atom_Stereo_Count	0
5257090	Rotatable_Bond_Count	1
22263119	Total_Formal_Charge	0
11936	TPSA	0
72200849	Undefined_Atom_Stereo_Count	0
18314545	Undefined_Atom_Stereo_Count	0
4848	Undefined_Atom_Stereo_Count	0
54587226	TPSA	99.4
89664	Structure_Complexity	215
57461922	Undefined_Bond_Stereo_Count	0
66673773	Non-hydrogen_Atom_Count	8
82161	TPSA	66.8
7026	Undefined_Atom_Stereo_Count	0
11142	TPSA	0
16205480	Defined_Atom_Stereo_Count	0
60947	Tautomer_Count	1
70751	Hydrogen_Bond_Acceptor_Count	3
838868	Undefined_Bond_Stereo_Count	0
14454	Exact_Mass	102.104465066
5459765	Isotope_Atom_Count	0
129009972	Undefined_Bond_Stereo_Count	0
980806	Exact_Mass	426.0917247
18622372	Molecular_Weight	111.10
57401570	Exact_Mass	370.10996162
20056627	Rotatable_Bond_Count	6
9548801	Defined_Atom_Stereo_Count	10
3392178	Hydrogen_Bond_Acceptor_Count	1
222155	Total_Formal_Charge	0
91465979	Isotope_Atom_Count	0
96405	Mono_Isotopic_Weight	147.048427358
13123887	Hydrogen_Bond_Acceptor_Count	2
158815	Defined_Bond_Stereo_Count	0
56832511	Mono_Isotopic_Weight	475.13996221
138107201	Structure_Complexity	756
138440	TPSA	37.3
146159501	Defined_Atom_Stereo_Count	1
11789157	Defined_Bond_Stereo_Count	0
65499	Defined_Bond_Stereo_Count	0
5257090	Undefined_Bond_Stereo_Count	0
73330464	Non-hydrogen_Atom_Count	18
66354	Molecular_Weight	83.09
4676	Molecular_Weight	339.4
6901	Defined_Atom_Stereo_Count	0
69860	Total_Formal_Charge	0
10084648	Total_Formal_Charge	0
75633	TPSA	29.5
12589	Total_Formal_Charge	0
23151396	Rotatable_Bond_Count	0
1212	Structure_Complexity	292
270	Structure_Complexity	4220
14585707	Exact_Mass	114.068079557
88580088	Hydrogen_Bond_Donor_Count	0
23725095	Tautomer_Count	2
84041	TPSA	41.6
15652148	Isotope_Atom_Count	0
91758	Hydrogen_Bond_Donor_Count	0
9827294	Defined_Bond_Stereo_Count	0
70695705	Molecular_Weight	477.5
13084	Hydrogen_Bond_Donor_Count	2
11476171	Covalent_Unit_Count	1
43961	Total_Formal_Charge	0
31297	Tautomer_Count	1
8757	Defined_Bond_Stereo_Count	0
1179	Hydrogen_Bond_Acceptor_Count	16
21585139	Structure_Complexity	0
54682930	Undefined_Atom_Stereo_Count	0
78423090	Structure_Complexity	291
16219471	Non-hydrogen_Atom_Count	22
46878363	Exact_Mass	276.1371335
36980	Molecular_Weight	223.09
29373	Isotope_Atom_Count	0
102452877	Exact_Mass	106.078250319
9120	Covalent_Unit_Count	1
77129	Rotatable_Bond_Count	0
6169	Mono_Isotopic_Weight	390.1710204
163050684	Covalent_Unit_Count	1
18195	TPSA	88
29138	Non-hydrogen_Atom_Count	26
702695	Molecular_Weight	183.12
57280823	Non-hydrogen_Atom_Count	7
45256108	Undefined_Bond_Stereo_Count	0
68056645	XLogP3-AA	1.3
139056	Exact_Mass	108.093900383
9568077	Rotatable_Bond_Count	6
2009	Non-hydrogen_Atom_Count	15
51030529	Undefined_Bond_Stereo_Count	0
143565	Total_Formal_Charge	0
154515685	Defined_Atom_Stereo_Count	0
2578	Structure_Complexity	156
12978170	Exact_Mass	96.093900383
14698	Hydrogen_Bond_Donor_Count	2
12560918	Rotatable_Bond_Count	0
67736	Tautomer_Count	1
23694217	Defined_Atom_Stereo_Count	6
5281116	Mono_Isotopic_Weight	338.318480578
4961823	Hydrogen_Bond_Donor_Count	1
274080	Isotope_Atom_Count	0
123237074	XLogP3-AA	1.1
84759	Molecular_Weight	145.16
2384	Hydrogen_Bond_Acceptor_Count	4
4132	Undefined_Atom_Stereo_Count	5
162246	Structure_Complexity	585
6210	Undefined_Bond_Stereo_Count	0
54169147	Undefined_Atom_Stereo_Count	0
69110	Hydrogen_Bond_Donor_Count	0
176163	Undefined_Atom_Stereo_Count	1
5476	Total_Formal_Charge	1
57163928	Defined_Atom_Stereo_Count	0
24978601	Undefined_Bond_Stereo_Count	0
9552077	Molecular_Weight	211.95
21777	Mono_Isotopic_Weight	211.1127773
80511	Defined_Atom_Stereo_Count	0
159603	XLogP3-AA	1.3
14510872	Hydrogen_Bond_Acceptor_Count	2
56846240	TPSA	290
108059	XLogP3-AA	2.9
657237	TPSA	140
222199	Mono_Isotopic_Weight	200.10485899
13884	Molecular_Weight	162.18
12236733	Defined_Bond_Stereo_Count	0
58376271	Defined_Atom_Stereo_Count	0
46882191	Structure_Complexity	560
71456042	Exact_Mass	484.13042228
1318	Defined_Bond_Stereo_Count	0
197581	Molecular_Weight	711.4
45857	Exact_Mass	289.1000197
11285653	XLogP3-AA	3.6
11063784	Mono_Isotopic_Weight	214.08412354
48288	Undefined_Atom_Stereo_Count	1
48978	Defined_Atom_Stereo_Count	0
21445949	Hydrogen_Bond_Donor_Count	2
3506	Hydrogen_Bond_Donor_Count	7
85500	Structure_Complexity	543
44590403	Defined_Atom_Stereo_Count	0
5280953	XLogP3	3.6
103565751	XLogP3-AA	0
101074209	TPSA	215
543038	TPSA	26.3
54680692	Defined_Bond_Stereo_Count	0
5702698	Molecular_Weight	391.6
13063590	Isotope_Atom_Count	0
69674601	XLogP3-AA	0.2
44521024	Defined_Bond_Stereo_Count	0
57391205	Hydrogen_Bond_Donor_Count	2
96922	Mono_Isotopic_Weight	114.02516937
12585	XLogP3-AA	2.1
42768	Hydrogen_Bond_Acceptor_Count	9
135121972	Molecular_Weight	364.8
23665583	Defined_Bond_Stereo_Count	1
21639832	Molecular_Weight	101.15
12962871	Undefined_Atom_Stereo_Count	1
14078850	Non-hydrogen_Atom_Count	64
17930361	Covalent_Unit_Count	1
49865859	Non-hydrogen_Atom_Count	25
8697	Covalent_Unit_Count	1
60196290	Exact_Mass	532.23332757
45357	Non-hydrogen_Atom_Count	17
601163	Non-hydrogen_Atom_Count	16
9363	Total_Formal_Charge	0
14065290	Exact_Mass	112.063662883
66603	Defined_Atom_Stereo_Count	0
5068715	Exact_Mass	762.13755881
12502855	Rotatable_Bond_Count	0
31703	Undefined_Atom_Stereo_Count	0
44629805	Covalent_Unit_Count	2
28557	Non-hydrogen_Atom_Count	18
6440	Defined_Atom_Stereo_Count	0
53936618	Isotope_Atom_Count	0
54025111	Hydrogen_Bond_Acceptor_Count	2
712421	Isotope_Atom_Count	0
11470068	Structure_Complexity	133
15940949	Hydrogen_Bond_Donor_Count	4
69064	Covalent_Unit_Count	1
75982	Hydrogen_Bond_Acceptor_Count	3
54421	Mono_Isotopic_Weight	366.15795719
79254	Undefined_Atom_Stereo_Count	0
22201	Undefined_Atom_Stereo_Count	0
15715913	Rotatable_Bond_Count	3
233085	Non-hydrogen_Atom_Count	25
38945	Molecular_Weight	192.26
92339	Exact_Mass	237.9952203
5312153	Tautomer_Count	6
10943	Hydrogen_Bond_Donor_Count	0
638057	Rotatable_Bond_Count	0
208	TPSA	157
16541	Hydrogen_Bond_Acceptor_Count	2
21791020	Structure_Complexity	77.7
10636633	Exact_Mass	282.10381361
2976	Non-hydrogen_Atom_Count	33
36689113	TPSA	114
5359353	Covalent_Unit_Count	1
65874	Defined_Bond_Stereo_Count	0
53490	Non-hydrogen_Atom_Count	30
3082717	Tautomer_Count	1
529229	TPSA	49.7
12636118	TPSA	32.3
564558	Molecular_Weight	168.23
79302	TPSA	20.2
18469777	Non-hydrogen_Atom_Count	7
10334852	Exact_Mass	298.09872823
2400	Tautomer_Count	3
118014938	Undefined_Bond_Stereo_Count	0
17110	Structure_Complexity	194
57541295	Molecular_Weight	391.5
8602	Molecular_Weight	211.64
153241	Defined_Atom_Stereo_Count	1
20231751	Exact_Mass	160.9560951
118897473	TPSA	51.8
11439	Defined_Atom_Stereo_Count	0
13327309	Structure_Complexity	72.9
9795434	XLogP3-AA	2.2
25113190	Undefined_Bond_Stereo_Count	0
2279	Covalent_Unit_Count	1
78148	Covalent_Unit_Count	1
6477715	Rotatable_Bond_Count	7
49784002	Total_Formal_Charge	0
13816	Hydrogen_Bond_Donor_Count	2
256347	Defined_Bond_Stereo_Count	0
8276	Undefined_Atom_Stereo_Count	0
36811	Total_Formal_Charge	0
134819291	Isotope_Atom_Count	0
101771	Undefined_Bond_Stereo_Count	0
328	Rotatable_Bond_Count	2
16683028	Structure_Complexity	509
47898	Covalent_Unit_Count	1
14897389	Undefined_Bond_Stereo_Count	0
5826	Rotatable_Bond_Count	2
163050678	Defined_Atom_Stereo_Count	8
48807	Hydrogen_Bond_Acceptor_Count	3
11829397	Mono_Isotopic_Weight	114.068079557
41124	Non-hydrogen_Atom_Count	10
42635875	XLogP3-AA	0.2
8748	Exact_Mass	154.135765193
71971	TPSA	41.5
171409	Hydrogen_Bond_Acceptor_Count	12
524217	Undefined_Bond_Stereo_Count	0
10997868	Defined_Atom_Stereo_Count	0
3540	Covalent_Unit_Count	1
5371993	Undefined_Atom_Stereo_Count	6
3862	Covalent_Unit_Count	1
60569	Defined_Bond_Stereo_Count	0
315394	Undefined_Bond_Stereo_Count	1
77529	Covalent_Unit_Count	1
10034579	Total_Formal_Charge	0
1355	Mono_Isotopic_Weight	196.0767261
58223444	Hydrogen_Bond_Acceptor_Count	2
4684505	Undefined_Atom_Stereo_Count	0
28417	TPSA	46.3
118984450	Undefined_Atom_Stereo_Count	0
13524524	Isotope_Atom_Count	0
2593	Defined_Bond_Stereo_Count	0
11224214	Non-hydrogen_Atom_Count	32
5282350	Covalent_Unit_Count	1
5288674	Defined_Bond_Stereo_Count	3
101142583	Covalent_Unit_Count	1
83904778	Mono_Isotopic_Weight	114.068079557
72941511	Non-hydrogen_Atom_Count	31
53707229	Defined_Bond_Stereo_Count	0
32816	Structure_Complexity	144
54682458	Structure_Complexity	944
67406	Defined_Bond_Stereo_Count	0
36538	Isotope_Atom_Count	0
131443	Defined_Bond_Stereo_Count	0
9847494	Isotope_Atom_Count	0
121877	Tautomer_Count	2
12285863	Rotatable_Bond_Count	1
14245	TPSA	0
102366731	Undefined_Atom_Stereo_Count	0
14239884	Hydrogen_Bond_Acceptor_Count	4
8901	XLogP3-AA	1.2
86590530	Molecular_Weight	25.006
74572	Defined_Atom_Stereo_Count	0
6436219	Structure_Complexity	634
43515	Non-hydrogen_Atom_Count	24
10909499	Hydrogen_Bond_Acceptor_Count	2
66586067	Isotope_Atom_Count	0
54526114	Hydrogen_Bond_Donor_Count	0
21330	Mono_Isotopic_Weight	267.05652907
466151	Total_Formal_Charge	0
5743836	Defined_Bond_Stereo_Count	0
71309208	TPSA	0
95941	Hydrogen_Bond_Donor_Count	1
185620	Undefined_Bond_Stereo_Count	0
13445118	Undefined_Bond_Stereo_Count	0
16832	Undefined_Bond_Stereo_Count	0
71971	Tautomer_Count	1
71671	Hydrogen_Bond_Acceptor_Count	2
51577	Covalent_Unit_Count	1
5251826	Total_Formal_Charge	0
54339	Hydrogen_Bond_Acceptor_Count	3
24794350	Rotatable_Bond_Count	3
12313523	Defined_Atom_Stereo_Count	5
406793	Molecular_Weight	527.6
117072551	Exact_Mass	524.0942002
277767	Defined_Bond_Stereo_Count	0
289031	Rotatable_Bond_Count	3
2222	Non-hydrogen_Atom_Count	53
249006	Non-hydrogen_Atom_Count	8
964856	Mono_Isotopic_Weight	275.094628657
6282	Mono_Isotopic_Weight	833.60878
2733487	Hydrogen_Bond_Donor_Count	8
95187	Rotatable_Bond_Count	0
102514067	Structure_Complexity	123
3291	Undefined_Atom_Stereo_Count	1
73828	TPSA	78.1
665063	Non-hydrogen_Atom_Count	25
4495	XLogP3	2.6
7185	Covalent_Unit_Count	1
15766	Rotatable_Bond_Count	1
68871182	Rotatable_Bond_Count	1
9841972	Structure_Complexity	401
49865733	Structure_Complexity	449
8228	Undefined_Bond_Stereo_Count	0
72200166	Rotatable_Bond_Count	12
13283	Undefined_Bond_Stereo_Count	0
9883002	Tautomer_Count	1
72200444	Isotope_Atom_Count	0
220401	Undefined_Atom_Stereo_Count	0
143337	Defined_Atom_Stereo_Count	0
443878	Molecular_Weight	475.6
11776	Undefined_Bond_Stereo_Count	0
89602862	Undefined_Bond_Stereo_Count	0
25201614	XLogP3-AA	0.7
93286	Defined_Atom_Stereo_Count	0
88481084	Undefined_Bond_Stereo_Count	1
5324776	Molecular_Weight	98.10
72703790	Isotope_Atom_Count	0
16211115	Rotatable_Bond_Count	1
23723027	Undefined_Atom_Stereo_Count	0
6545	Undefined_Bond_Stereo_Count	0
87527569	Undefined_Bond_Stereo_Count	0
59174488	Structure_Complexity	561
12389634	Defined_Atom_Stereo_Count	0
979	TPSA	74.6
11574	TPSA	0
6918407	Rotatable_Bond_Count	12
77314	Hydrogen_Bond_Donor_Count	0
3003791	Rotatable_Bond_Count	2
45259044	Non-hydrogen_Atom_Count	36
22057568	Hydrogen_Bond_Donor_Count	0
15558642	Molecular_Weight	177.22
12679	Molecular_Weight	179.20
20187	TPSA	50.8
11829373	Total_Formal_Charge	0
123940588	Defined_Bond_Stereo_Count	0
293	Total_Formal_Charge	0
129846869	Isotope_Atom_Count	0
24181110	Total_Formal_Charge	0
135925739	Defined_Atom_Stereo_Count	9
9863776	TPSA	113
11407412	Hydrogen_Bond_Donor_Count	1
10192564	Defined_Atom_Stereo_Count	0
3316	Hydrogen_Bond_Acceptor_Count	2
5355732	Undefined_Atom_Stereo_Count	0
66257	Structure_Complexity	910
11974440	Undefined_Bond_Stereo_Count	0
21161643	Covalent_Unit_Count	1
775	Tautomer_Count	8
356	Molecular_Weight	114.23
12285866	Isotope_Atom_Count	1
14706	Mono_Isotopic_Weight	401.13543
11062343	XLogP3-AA	1.7
9690	XLogP3	4.7
73455777	Undefined_Atom_Stereo_Count	2
527072	TPSA	0
11547499	Defined_Atom_Stereo_Count	1
431668	Hydrogen_Bond_Donor_Count	2
273577	Rotatable_Bond_Count	3
2399	Exact_Mass	327.100776666
115162	Hydrogen_Bond_Acceptor_Count	7
439530	Total_Formal_Charge	0
5281650	Undefined_Atom_Stereo_Count	0
123885601	Structure_Complexity	92.6
5611	Non-hydrogen_Atom_Count	22
146808246	TPSA	21.9
23034	Non-hydrogen_Atom_Count	32
542338	Non-hydrogen_Atom_Count	7
534132	Rotatable_Bond_Count	0
131747	Isotope_Atom_Count	0
18947655	Defined_Bond_Stereo_Count	0
71361084	Exact_Mass	114.02294089
135018	Structure_Complexity	460
134919	Covalent_Unit_Count	1
98511	Rotatable_Bond_Count	2
156588466	Exact_Mass	709.012063
18545678	Undefined_Atom_Stereo_Count	1
538972	Undefined_Atom_Stereo_Count	0
155143	Defined_Atom_Stereo_Count	6
16208013	Defined_Bond_Stereo_Count	0
20442	TPSA	156
6365696	Mono_Isotopic_Weight	280.240230259
55288485	Non-hydrogen_Atom_Count	8
907	Hydrogen_Bond_Donor_Count	3
102565432	Rotatable_Bond_Count	3
93706	Tautomer_Count	1
4199	Molecular_Weight	298.4
54557	Covalent_Unit_Count	1
10558590	Mono_Isotopic_Weight	113.084063974
96665	TPSA	54.4
22645860	Hydrogen_Bond_Acceptor_Count	3
657289	Hydrogen_Bond_Acceptor_Count	16
26444	Covalent_Unit_Count	1
163668741	Structure_Complexity	109
40475911	Defined_Atom_Stereo_Count	1
12664537	Hydrogen_Bond_Acceptor_Count	4
23668002	Defined_Bond_Stereo_Count	0
33938	Exact_Mass	212.120115130
81120	Undefined_Bond_Stereo_Count	0
7786	Isotope_Atom_Count	0
5287705	Defined_Atom_Stereo_Count	0
564751	Molecular_Weight	231.33
7409	XLogP3	1.4
15309593	Mono_Isotopic_Weight	216.089877630
440997	Molecular_Weight	259.15
76324338	Non-hydrogen_Atom_Count	59
14168316	Isotope_Atom_Count	0
12302681	Molecular_Weight	342.30
8567	Structure_Complexity	134
25183872	Covalent_Unit_Count	1
6433192	Covalent_Unit_Count	2
5363685	TPSA	34.1
71584285	Exact_Mass	412.15691181
49646	Tautomer_Count	1
19161	Total_Formal_Charge	0
137609	Molecular_Weight	115.17
5281605	Hydrogen_Bond_Donor_Count	3
6712980	Covalent_Unit_Count	1
163659	Tautomer_Count	700
158698	Rotatable_Bond_Count	5
9827103	Hydrogen_Bond_Acceptor_Count	12
71587119	Hydrogen_Bond_Acceptor_Count	21
57750418	Defined_Bond_Stereo_Count	0
5241	Tautomer_Count	1
4330531	XLogP3-AA	0.6
6921800	Defined_Atom_Stereo_Count	2
10171487	TPSA	73.4
21513403	Defined_Bond_Stereo_Count	0
59750537	Molecular_Weight	83.13
44395178	Undefined_Bond_Stereo_Count	0
51030896	TPSA	117
629965	Defined_Atom_Stereo_Count	0
11578	Tautomer_Count	6
84647648	Mono_Isotopic_Weight	110.084398327
75341	Hydrogen_Bond_Donor_Count	1
9847	Exact_Mass	92.04375652
76285	Isotope_Atom_Count	0
11977152	Exact_Mass	191.1845299
11194304	Structure_Complexity	72.9
37366	Exact_Mass	221.03329170
66815	Defined_Bond_Stereo_Count	0
6795	Rotatable_Bond_Count	0
81643	Defined_Atom_Stereo_Count	0
5146	Undefined_Bond_Stereo_Count	0
79497	Defined_Bond_Stereo_Count	0
76344	Structure_Complexity	248
467	Undefined_Atom_Stereo_Count	3
9930049	Defined_Atom_Stereo_Count	3
26388	Exact_Mass	445.14938408
91176619	Hydrogen_Bond_Donor_Count	0
170472	TPSA	129
85872	Undefined_Atom_Stereo_Count	1
5318	Undefined_Atom_Stereo_Count	1
560126	TPSA	21.2
637997	Structure_Complexity	95.7
91506	Structure_Complexity	1610
6328144	Defined_Atom_Stereo_Count	0
247573	Defined_Atom_Stereo_Count	3
52920469	Mono_Isotopic_Weight	441.1138572
14597941	TPSA	18.5
63418	Molecular_Weight	345.8
20690429	Molecular_Weight	469.6
596	Defined_Bond_Stereo_Count	0
89274700	Total_Formal_Charge	0
6538991	Defined_Atom_Stereo_Count	0
5538	Defined_Bond_Stereo_Count	0
11064594	XLogP3-AA	0.8
16733194	Defined_Atom_Stereo_Count	0
3047798	Covalent_Unit_Count	1
446067	Structure_Complexity	1580
518924	Isotope_Atom_Count	0
5702065	Hydrogen_Bond_Acceptor_Count	4
9863672	Rotatable_Bond_Count	2
4713215	Rotatable_Bond_Count	0
36559	Molecular_Weight	236.4
9609	Hydrogen_Bond_Acceptor_Count	1
67258371	Structure_Complexity	85.8
5158	Exact_Mass	1288.65643130
197856	Hydrogen_Bond_Acceptor_Count	6
306211	Mono_Isotopic_Weight	289.0505709
20526784	Molecular_Weight	111.10
447634	Mono_Isotopic_Weight	230.01915430
13362	Isotope_Atom_Count	0
2184	Rotatable_Bond_Count	17
67542	Isotope_Atom_Count	0
21306027	Rotatable_Bond_Count	1
128815	Covalent_Unit_Count	1
94973	Rotatable_Bond_Count	1
16653	Non-hydrogen_Atom_Count	12
10250607	Defined_Bond_Stereo_Count	0
85266	Defined_Atom_Stereo_Count	0
20055283	Mono_Isotopic_Weight	920.40417981
542567	Molecular_Weight	181.15
15291	Undefined_Bond_Stereo_Count	0
20072996	Hydrogen_Bond_Acceptor_Count	2
44392103	Covalent_Unit_Count	1
446317	Covalent_Unit_Count	1
80642	Rotatable_Bond_Count	2
247469	Covalent_Unit_Count	1
8123	Tautomer_Count	1
11192	Defined_Bond_Stereo_Count	0
66837179	Total_Formal_Charge	0
108835	Defined_Bond_Stereo_Count	0
136378	Mono_Isotopic_Weight	68.062600255
5283748	Hydrogen_Bond_Acceptor_Count	3
22594387	Isotope_Atom_Count	0
7566942	TPSA	190
67375395	Hydrogen_Bond_Donor_Count	2
564996	Hydrogen_Bond_Donor_Count	0
16058752	Hydrogen_Bond_Acceptor_Count	9
14459015	Undefined_Atom_Stereo_Count	0
13597081	Molecular_Weight	102.13
18212	Structure_Complexity	166
11182588	Undefined_Atom_Stereo_Count	1
6075	Defined_Atom_Stereo_Count	0
7790	TPSA	52.6
129746471	TPSA	21.8
2733797	TPSA	115
79332	Undefined_Bond_Stereo_Count	0
24197462	TPSA	76.6
7133	Undefined_Bond_Stereo_Count	0
21879319	TPSA	55.4
6995013	Defined_Atom_Stereo_Count	1
14552708	Undefined_Atom_Stereo_Count	1
80507	Undefined_Bond_Stereo_Count	0
53943526	Non-hydrogen_Atom_Count	7
71309503	Structure_Complexity	151
58044734	Rotatable_Bond_Count	0
5016	Rotatable_Bond_Count	3
139121	Defined_Atom_Stereo_Count	0
44249711	Mono_Isotopic_Weight	114.068079557
171284	Hydrogen_Bond_Acceptor_Count	13
443130	Structure_Complexity	328
90909703	Undefined_Bond_Stereo_Count	2
146345448	Hydrogen_Bond_Acceptor_Count	3
21954793	Undefined_Atom_Stereo_Count	1
5460819	Isotope_Atom_Count	0
66783827	Defined_Bond_Stereo_Count	0
53316138	Exact_Mass	616.34721450
46936995	Rotatable_Bond_Count	7
131714458	Hydrogen_Bond_Acceptor_Count	10
627386	Covalent_Unit_Count	1
42095	Hydrogen_Bond_Acceptor_Count	5
5317111	Structure_Complexity	457
129693502	Defined_Bond_Stereo_Count	0
10815	Isotope_Atom_Count	0
24900685	XLogP3-AA	2.3
28892	Rotatable_Bond_Count	12
12738	Hydrogen_Bond_Donor_Count	0
13003788	Covalent_Unit_Count	1
5727	Rotatable_Bond_Count	0
135437	Hydrogen_Bond_Acceptor_Count	4
4528	Undefined_Atom_Stereo_Count	1
138037	Covalent_Unit_Count	1
23665765	Defined_Bond_Stereo_Count	0
23668002	Isotope_Atom_Count	0
21872570	Non-hydrogen_Atom_Count	8
11567707	Total_Formal_Charge	0
68015385	Defined_Atom_Stereo_Count	4
18555	Rotatable_Bond_Count	0
71253	Defined_Bond_Stereo_Count	0
219081	Defined_Bond_Stereo_Count	0
89164217	Undefined_Atom_Stereo_Count	0
16667700	Covalent_Unit_Count	2
71593	Mono_Isotopic_Weight	149.07014524
9153	Undefined_Bond_Stereo_Count	0
134129845	Hydrogen_Bond_Donor_Count	12
3025961	Defined_Atom_Stereo_Count	0
6710664	Undefined_Bond_Stereo_Count	0
49985	Tautomer_Count	1
44521024	Isotope_Atom_Count	0
433604	Undefined_Bond_Stereo_Count	0
53892222	Hydrogen_Bond_Acceptor_Count	5
17841522	Non-hydrogen_Atom_Count	7
45040472	Undefined_Bond_Stereo_Count	0
18378694	Hydrogen_Bond_Donor_Count	1
7103	Non-hydrogen_Atom_Count	13
25181577	Covalent_Unit_Count	1
62529	XLogP3-AA	2.5
68292207	TPSA	36
2761494	Tautomer_Count	5
51432351	Structure_Complexity	609
23274077	XLogP3	1.6
14829	Total_Formal_Charge	0
14017	Tautomer_Count	1
4224596	Undefined_Atom_Stereo_Count	0
69293	Hydrogen_Bond_Acceptor_Count	1
20838642	Tautomer_Count	2
54707177	Structure_Complexity	1230
583941	Non-hydrogen_Atom_Count	16
4198	Hydrogen_Bond_Acceptor_Count	4
13516401	Undefined_Bond_Stereo_Count	0
14179013	TPSA	101
54043984	Defined_Atom_Stereo_Count	0
60196330	Total_Formal_Charge	0
10155136	Undefined_Atom_Stereo_Count	0
82313	Exact_Mass	221.08993720
5484731	Molecular_Weight	461.5
62669683	Structure_Complexity	76.6
12698	Undefined_Bond_Stereo_Count	0
12506259	Defined_Bond_Stereo_Count	0
74098	Non-hydrogen_Atom_Count	15
1459	Non-hydrogen_Atom_Count	24
12343	Undefined_Atom_Stereo_Count	0
7642	Defined_Bond_Stereo_Count	0
9854073	Molecular_Weight	835.9
9797857	XLogP3-AA	2.6
2999	XLogP3-AA	2.9
132277953	Defined_Atom_Stereo_Count	0
446873	Exact_Mass	169.01400935
97724	Non-hydrogen_Atom_Count	11
4369188	Covalent_Unit_Count	1
91053206	Hydrogen_Bond_Donor_Count	5
87244770	Molecular_Weight	116.11
135413497	Molecular_Weight	266.09
86277930	Exact_Mass	799.1856278
9007	Rotatable_Bond_Count	1
15267570	Hydrogen_Bond_Acceptor_Count	4
45488115	Total_Formal_Charge	0
99564	Rotatable_Bond_Count	1
137704528	Isotope_Atom_Count	0
14013	Isotope_Atom_Count	0
8626	Defined_Bond_Stereo_Count	0
105031	TPSA	101
11115032	Hydrogen_Bond_Donor_Count	14
137530132	XLogP3-AA	4.5
20638380	Mono_Isotopic_Weight	818.6973
10258659	Isotope_Atom_Count	0
11768605	Undefined_Bond_Stereo_Count	0
83694167	Defined_Atom_Stereo_Count	0
72916	Total_Formal_Charge	0
25403	Defined_Atom_Stereo_Count	0
472202	Rotatable_Bond_Count	2
16212481	Exact_Mass	422.07686844
81056	Exact_Mass	152.0141259
915014	Defined_Bond_Stereo_Count	0
20974	Defined_Bond_Stereo_Count	0
15765799	TPSA	34.1
6316	Tautomer_Count	1
13528037	Tautomer_Count	7
135673987	Undefined_Atom_Stereo_Count	0
101194	XLogP3-AA	0.2
74097	Total_Formal_Charge	0
7646	XLogP3	3
9727	Covalent_Unit_Count	1
70697365	Defined_Atom_Stereo_Count	0
894295	Defined_Atom_Stereo_Count	1
544629	Isotope_Atom_Count	0
9007	Undefined_Bond_Stereo_Count	0
5425	Undefined_Bond_Stereo_Count	0
68078	XLogP3-AA	4.7
11732	Total_Formal_Charge	0
15475284	Molecular_Weight	97.16
88533	Hydrogen_Bond_Acceptor_Count	2
24826799	Molecular_Weight	532.6
14119	Hydrogen_Bond_Donor_Count	1
5149739	Undefined_Bond_Stereo_Count	0
287983	Undefined_Bond_Stereo_Count	0
93205	Tautomer_Count	3
6917974	Undefined_Bond_Stereo_Count	0
29385	Non-hydrogen_Atom_Count	7
36921	Mono_Isotopic_Weight	384.04497858
122415	Exact_Mass	154.135765193
78644	Defined_Atom_Stereo_Count	0
5376733	Total_Formal_Charge	0
704316	XLogP3-AA	2
565635	Rotatable_Bond_Count	4
25151504	Defined_Atom_Stereo_Count	3
4048	Covalent_Unit_Count	1
4582877	Hydrogen_Bond_Donor_Count	0
13795010	Covalent_Unit_Count	1
60946	Covalent_Unit_Count	3
121410806	Rotatable_Bond_Count	9
71485	Structure_Complexity	405
13721252	Isotope_Atom_Count	0
19601937	TPSA	49.7
1118	Rotatable_Bond_Count	0
10391	Non-hydrogen_Atom_Count	13
2163	Covalent_Unit_Count	1
11018839	TPSA	35.5
8567	Molecular_Weight	195.21
124246	Undefined_Bond_Stereo_Count	0
9926639	Total_Formal_Charge	0
13396	Rotatable_Bond_Count	0
443980	Rotatable_Bond_Count	5
423375	Mono_Isotopic_Weight	171.08301860
719018	Covalent_Unit_Count	1
91593	Undefined_Bond_Stereo_Count	0
22505735	Exact_Mass	98.084398327
40185	Structure_Complexity	77.4
15004989	Undefined_Atom_Stereo_Count	1
90315	Exact_Mass	384.18965124
143852	Covalent_Unit_Count	1
5702546	Defined_Atom_Stereo_Count	8
164551	Exact_Mass	288.05936535
24643	Undefined_Atom_Stereo_Count	0
11601669	Exact_Mass	286.193280068
10909522	Exact_Mass	111.068413911
12707110	Mono_Isotopic_Weight	85.052763847
24261	Defined_Atom_Stereo_Count	0
18730041	XLogP3-AA	2.9
90698789	Structure_Complexity	68
73631	Mono_Isotopic_Weight	370.14163842
66774	Hydrogen_Bond_Acceptor_Count	3
73946427	Rotatable_Bond_Count	6
722533	Molecular_Weight	292.31
6491	TPSA	58.2
9862176	Structure_Complexity	335
90488914	Defined_Bond_Stereo_Count	0
123671885	Exact_Mass	102.068079557
13568	Defined_Bond_Stereo_Count	0
7984	Structure_Complexity	201
4622	Structure_Complexity	288
89334461	TPSA	93.2
4248	Total_Formal_Charge	0
64971	Molecular_Weight	456.7
28697	Undefined_Bond_Stereo_Count	0
135415868	Molecular_Weight	459.5
95512	Undefined_Bond_Stereo_Count	0
155903767	Hydrogen_Bond_Donor_Count	5
160565	Non-hydrogen_Atom_Count	21
22178543	Covalent_Unit_Count	1
12304	Total_Formal_Charge	0
81869	Hydrogen_Bond_Donor_Count	0
13719374	Undefined_Bond_Stereo_Count	0
103786	Defined_Atom_Stereo_Count	0
66249	Isotope_Atom_Count	0
5281575	Covalent_Unit_Count	1
6723	Rotatable_Bond_Count	2
5107	Hydrogen_Bond_Donor_Count	4
10086969	Non-hydrogen_Atom_Count	6
25200298	Structure_Complexity	1830
9871420	Molecular_Weight	522.6
5371102	Rotatable_Bond_Count	6
15034633	Defined_Atom_Stereo_Count	0
379058	Non-hydrogen_Atom_Count	46
81867	Exact_Mass	257.0243562
21016055	Rotatable_Bond_Count	0
77323	Defined_Atom_Stereo_Count	0
9908880	Exact_Mass	399.16191458
24892842	TPSA	49.8
9989023	Isotope_Atom_Count	0
2783363	Isotope_Atom_Count	0
12500871	Structure_Complexity	48.1
520326	Hydrogen_Bond_Acceptor_Count	2
5275520	Molecular_Weight	168.23
1140	Exact_Mass	92.062600255
4692287	Structure_Complexity	650
45085069	Hydrogen_Bond_Donor_Count	0
5384136	Covalent_Unit_Count	2
259381	Total_Formal_Charge	0
16775060	Structure_Complexity	41.4
22833326	Isotope_Atom_Count	0
446275	Undefined_Atom_Stereo_Count	0
23465004	Hydrogen_Bond_Donor_Count	1
12933420	Covalent_Unit_Count	1
11432307	Undefined_Atom_Stereo_Count	0
57341	Exact_Mass	298.14297583
69401251	Undefined_Bond_Stereo_Count	0
6456015	Hydrogen_Bond_Acceptor_Count	9
559072	Mono_Isotopic_Weight	100.088815002
15301053	Total_Formal_Charge	0
199402	Hydrogen_Bond_Donor_Count	18
129747104	Molecular_Weight	115.13
68321837	Exact_Mass	387.1149827
13244490	Defined_Atom_Stereo_Count	0
7557	Total_Formal_Charge	0
41653	Mono_Isotopic_Weight	897.47219980
60937	Defined_Atom_Stereo_Count	0
53249048	Undefined_Bond_Stereo_Count	0
58091261	Structure_Complexity	86.1
141407440	Defined_Bond_Stereo_Count	0
10131842	Hydrogen_Bond_Donor_Count	0
26560	Molecular_Weight	358.5
7438	Covalent_Unit_Count	1
512289	Hydrogen_Bond_Donor_Count	1
443151	Undefined_Bond_Stereo_Count	0
10926	Undefined_Bond_Stereo_Count	0
22170205	Hydrogen_Bond_Acceptor_Count	5
123335274	Defined_Bond_Stereo_Count	0
96929	Exact_Mass	217.110278721
71464628	Covalent_Unit_Count	1
51047	Undefined_Bond_Stereo_Count	0
5280435	Isotope_Atom_Count	0
3965	Undefined_Atom_Stereo_Count	2
15951529	Defined_Atom_Stereo_Count	0
20722789	Exact_Mass	120.043596145
53484514	Defined_Atom_Stereo_Count	0
46174453	Mono_Isotopic_Weight	301.0782389
84354	Exact_Mass	368.962275
524266	Structure_Complexity	101
641385	Exact_Mass	453.02218945
14273	Exact_Mass	107.037113783
66764350	Mono_Isotopic_Weight	164.03859095
12217	Defined_Atom_Stereo_Count	0
22220875	Total_Formal_Charge	0
148821664	Covalent_Unit_Count	1
123304022	Total_Formal_Charge	0
139977	Undefined_Bond_Stereo_Count	0
73640	Covalent_Unit_Count	1
155138	Total_Formal_Charge	0
70864	Total_Formal_Charge	0
43558816	Structure_Complexity	123
12049	Non-hydrogen_Atom_Count	7
135972	Undefined_Bond_Stereo_Count	0
140905	Exact_Mass	112.088815002
7017228	XLogP3-AA	0.9
6838	Non-hydrogen_Atom_Count	15
21126175	Isotope_Atom_Count	0
19073932	Molecular_Weight	114.14
135398634	Defined_Bond_Stereo_Count	0
11495505	Defined_Atom_Stereo_Count	0
22675	Total_Formal_Charge	0
62883	Mono_Isotopic_Weight	419.13623594
91864465	TPSA	63.6
28429	Total_Formal_Charge	0
9810873	Exact_Mass	775.42686180
72573106	Hydrogen_Bond_Donor_Count	3
659840	Total_Formal_Charge	0
5709	Hydrogen_Bond_Acceptor_Count	1
57228285	Mono_Isotopic_Weight	114.00654193
134694073	Rotatable_Bond_Count	10
12287	Defined_Bond_Stereo_Count	0
19793985	Exact_Mass	255.05315777
74764517	Defined_Atom_Stereo_Count	0
129737769	Defined_Bond_Stereo_Count	0
134537	Mono_Isotopic_Weight	526.1441542
296197	Molecular_Weight	292.33
44408	Structure_Complexity	346
1646	Rotatable_Bond_Count	3
21859	Structure_Complexity	212
21983433	Hydrogen_Bond_Acceptor_Count	3
9804496	Structure_Complexity	561
680036	Covalent_Unit_Count	1
86811394	Defined_Bond_Stereo_Count	0
69017	Covalent_Unit_Count	1
9890377	Undefined_Atom_Stereo_Count	2
62708	Covalent_Unit_Count	2
5280604	Non-hydrogen_Atom_Count	64
14528850	Hydrogen_Bond_Donor_Count	1
102234473	Defined_Bond_Stereo_Count	0
134976	Exact_Mass	222.08920892
54740489	Mono_Isotopic_Weight	390.0111167
57645443	TPSA	110
15230353	Isotope_Atom_Count	0
458426	Non-hydrogen_Atom_Count	14
32069	Tautomer_Count	1
12486323	Mono_Isotopic_Weight	120.078644241
24424	Isotope_Atom_Count	0
12643154	Undefined_Bond_Stereo_Count	0
57396950	Isotope_Atom_Count	0
22608833	Hydrogen_Bond_Donor_Count	1
32359	Hydrogen_Bond_Acceptor_Count	3
5093953	Defined_Bond_Stereo_Count	0
3086674	Isotope_Atom_Count	1
11671	Rotatable_Bond_Count	1
6392641	Structure_Complexity	697
533460	Mono_Isotopic_Weight	71.073499291
674701	Rotatable_Bond_Count	5
2765	Undefined_Bond_Stereo_Count	0
13519	Undefined_Atom_Stereo_Count	1
135421876	TPSA	82.5
186114	Isotope_Atom_Count	0
17049	Tautomer_Count	1
28557	Undefined_Bond_Stereo_Count	0
8934	Molecular_Weight	319.2
53316416	Isotope_Atom_Count	0
22138130	Mono_Isotopic_Weight	116.083729621
693318	Undefined_Bond_Stereo_Count	0
6473883	Exact_Mass	834.54530517
21876618	Undefined_Atom_Stereo_Count	0
307	Undefined_Atom_Stereo_Count	0
557356	TPSA	83.9
129627867	Undefined_Atom_Stereo_Count	0
11686063	Hydrogen_Bond_Donor_Count	12
52993227	Undefined_Atom_Stereo_Count	0
11651197	Hydrogen_Bond_Acceptor_Count	4
3085218	Total_Formal_Charge	0
5353627	Structure_Complexity	590
441140	Rotatable_Bond_Count	3
57004451	Defined_Atom_Stereo_Count	0
1382042	Isotope_Atom_Count	0
14710	Exact_Mass	393.08406
18142	Undefined_Atom_Stereo_Count	0
4547	Total_Formal_Charge	0
32924	Structure_Complexity	126
4042	TPSA	60.4
64934	Undefined_Atom_Stereo_Count	0
11383075	Hydrogen_Bond_Acceptor_Count	6
178024	XLogP3-AA	1.3
34933	Rotatable_Bond_Count	4
5353521	Isotope_Atom_Count	0
91984	Non-hydrogen_Atom_Count	14
65055	Defined_Atom_Stereo_Count	0
3294	Hydrogen_Bond_Acceptor_Count	4
2734176	Non-hydrogen_Atom_Count	17
3361	Undefined_Atom_Stereo_Count	2
292429	Total_Formal_Charge	0
63141	Hydrogen_Bond_Donor_Count	0
13189	TPSA	0
4090	Defined_Atom_Stereo_Count	0
8217	Hydrogen_Bond_Acceptor_Count	0
89512131	Molecular_Weight	371.8
91248258	TPSA	47.3
21702782	Hydrogen_Bond_Donor_Count	0
56296	TPSA	165
6427044	Undefined_Bond_Stereo_Count	0
71464685	Molecular_Weight	478.5
6258	Isotope_Atom_Count	0
5249538	Exact_Mass	138.091889006
4449	Defined_Atom_Stereo_Count	0
15812317	Structure_Complexity	96.4
53394675	Isotope_Atom_Count	0
444474	Exact_Mass	239.13822480
2734232	Covalent_Unit_Count	1
776461	Non-hydrogen_Atom_Count	12
6435801	Undefined_Bond_Stereo_Count	0
15667210	Total_Formal_Charge	0
70789202	Covalent_Unit_Count	1
194791	Non-hydrogen_Atom_Count	55
523251	Defined_Atom_Stereo_Count	0
16051495	Defined_Bond_Stereo_Count	0
135436533	TPSA	108
14844402	Mono_Isotopic_Weight	526.2023205
58035420	Structure_Complexity	103
56859	XLogP3-AA	2.9
643681	Total_Formal_Charge	0
227085	TPSA	39.2
55287187	Isotope_Atom_Count	0
21889836	Molecular_Weight	679.8
518818	Hydrogen_Bond_Donor_Count	0
75460	Structure_Complexity	110
95162564	Defined_Bond_Stereo_Count	0
26398	Molecular_Weight	251.11
2071	Molecular_Weight	221.21
67707	Defined_Bond_Stereo_Count	0
939	Exact_Mass	335.06442747
91810695	Hydrogen_Bond_Acceptor_Count	16
11527282	Undefined_Bond_Stereo_Count	0
95883	Exact_Mass	161.06880783
7196	Hydrogen_Bond_Acceptor_Count	4
921599	TPSA	48.1
37183	Non-hydrogen_Atom_Count	3
6549	Mono_Isotopic_Weight	154.135765193
11825335	Non-hydrogen_Atom_Count	27
157209529	Total_Formal_Charge	0
7750121	TPSA	29.1
20055294	Structure_Complexity	1330
39214	XLogP3	0.4
101484762	Undefined_Atom_Stereo_Count	3
44260118	Molecular_Weight	822.9
3167	TPSA	37.3
8519	Tautomer_Count	1
9274	Mono_Isotopic_Weight	185.99380893
88929423	Defined_Atom_Stereo_Count	0
208951	Undefined_Bond_Stereo_Count	0
70689311	Covalent_Unit_Count	3
95961	Structure_Complexity	220
13220626	Undefined_Bond_Stereo_Count	0
83970	Undefined_Atom_Stereo_Count	0
360081	Isotope_Atom_Count	0
139759	Defined_Bond_Stereo_Count	0
19935251	Exact_Mass	97.063997236
18410493	Hydrogen_Bond_Acceptor_Count	1
1342	Hydrogen_Bond_Donor_Count	1
16058629	Mono_Isotopic_Weight	414.96223
25203400	Total_Formal_Charge	1
12866541	Exact_Mass	109.052763847
517165	Defined_Atom_Stereo_Count	0
57572416	TPSA	240
23103366	Undefined_Bond_Stereo_Count	0
11182575	Defined_Bond_Stereo_Count	0
44310838	Structure_Complexity	593
5384876	Total_Formal_Charge	0
468076	Hydrogen_Bond_Acceptor_Count	7
34515	Isotope_Atom_Count	0
88008	Hydrogen_Bond_Acceptor_Count	8
637796	XLogP3	3.1
2342	Structure_Complexity	582
71311337	Defined_Atom_Stereo_Count	0
3922	Structure_Complexity	591
28540	Rotatable_Bond_Count	4
13795008	Rotatable_Bond_Count	0
90479	Non-hydrogen_Atom_Count	18
99416	Non-hydrogen_Atom_Count	19
29647	Undefined_Bond_Stereo_Count	0
12471321	Undefined_Atom_Stereo_Count	2
380929	Hydrogen_Bond_Donor_Count	4
44423	Defined_Bond_Stereo_Count	0
11194308	Structure_Complexity	72.9
163698895	Molecular_Weight	114.15
87714328	Undefined_Atom_Stereo_Count	1
15560527	Hydrogen_Bond_Acceptor_Count	4
20531563	Exact_Mass	85.063997236
28230148	Isotope_Atom_Count	0
19375004	Structure_Complexity	67.4
12096	Covalent_Unit_Count	1
60196293	Structure_Complexity	528
49652	Structure_Complexity	564
125468	Molecular_Weight	100.12
55480	Molecular_Weight	282.81
719044	Total_Formal_Charge	0
53326156	Covalent_Unit_Count	1
53240376	Mono_Isotopic_Weight	726.07603
133059	Covalent_Unit_Count	2
3024461	Rotatable_Bond_Count	5
85445	Molecular_Weight	214.64
21608699	Molecular_Weight	290.4
443928	XLogP3	2.5
3081905	Exact_Mass	1384.72384215
6850789	Molecular_Weight	501.98
21284699	Hydrogen_Bond_Acceptor_Count	2
134399	Exact_Mass	129.115364102
121316818	Isotope_Atom_Count	0
129628889	Structure_Complexity	285
4526530	Isotope_Atom_Count	0
16119814	Undefined_Atom_Stereo_Count	0
57750364	XLogP3-AA	1.3
5493444	Molecular_Weight	551.8
56934415	Non-hydrogen_Atom_Count	47
1234	Hydrogen_Bond_Donor_Count	0
534838	Isotope_Atom_Count	0
118121642	Hydrogen_Bond_Acceptor_Count	2
57066209	Molecular_Weight	112.13
68604	XLogP3-AA	2.8
160617	Isotope_Atom_Count	0
59708	Hydrogen_Bond_Donor_Count	1
50990393	TPSA	320
2227	Hydrogen_Bond_Donor_Count	4
124823816	Defined_Atom_Stereo_Count	9
2789	Undefined_Atom_Stereo_Count	0
29665	Defined_Bond_Stereo_Count	0
161764	Molecular_Weight	628.1
54064807	Molecular_Weight	112.17
3348	Undefined_Bond_Stereo_Count	0
39834	TPSA	57.6
16760153	Hydrogen_Bond_Donor_Count	0
59502	Defined_Atom_Stereo_Count	0
142647132	Defined_Bond_Stereo_Count	0
23707296	Defined_Atom_Stereo_Count	0
11758093	Defined_Bond_Stereo_Count	0
441451	Structure_Complexity	176
334657	Structure_Complexity	180
136190013	Molecular_Weight	334.17
29756	Undefined_Bond_Stereo_Count	0
6623	Exact_Mass	228.115029749
21264914	Hydrogen_Bond_Donor_Count	1
88489334	Non-hydrogen_Atom_Count	8
25256832	TPSA	100
10820493	Undefined_Atom_Stereo_Count	0
5763	Molecular_Weight	347.9
391136	Isotope_Atom_Count	0
15408	Structure_Complexity	262
103563227	Defined_Bond_Stereo_Count	0
18430414	Covalent_Unit_Count	1
13245716	Undefined_Bond_Stereo_Count	0
17963363	Defined_Bond_Stereo_Count	0
5748361	Molecular_Weight	366.4
7827	Undefined_Atom_Stereo_Count	0
6438373	Defined_Bond_Stereo_Count	1
9848628	Total_Formal_Charge	0
121494073	Rotatable_Bond_Count	31
3455	Exact_Mass	450.24826997
158794	Exact_Mass	315.14705815
53965310	Undefined_Bond_Stereo_Count	0
142965989	Rotatable_Bond_Count	6
6539039	Total_Formal_Charge	0
6407	XLogP3-AA	1.6
57927934	Mono_Isotopic_Weight	467.21686904
82611	Total_Formal_Charge	0
16683028	Hydrogen_Bond_Acceptor_Count	7
53694406	Undefined_Bond_Stereo_Count	0
3153	TPSA	66.5
14823	Undefined_Bond_Stereo_Count	0
34192	Rotatable_Bond_Count	5
159982	Total_Formal_Charge	0
87604555	TPSA	61.1
24877	Undefined_Atom_Stereo_Count	0
155353470	Hydrogen_Bond_Acceptor_Count	3
4760	Defined_Bond_Stereo_Count	0
5359853	Covalent_Unit_Count	3
62907	Hydrogen_Bond_Donor_Count	1
96412	Non-hydrogen_Atom_Count	6
704754	Mono_Isotopic_Weight	346.17802393
19997	Defined_Atom_Stereo_Count	0
43507	Covalent_Unit_Count	1
45609	Molecular_Weight	1161.9
17244514	Structure_Complexity	57.7
53555	Rotatable_Bond_Count	5
5521	Total_Formal_Charge	0
12729	Mono_Isotopic_Weight	212.177630004
7702	TPSA	9.2
162652	Molecular_Weight	173.13
48804	Isotope_Atom_Count	0
20392754	Mono_Isotopic_Weight	97.052763847
20390093	Mono_Isotopic_Weight	100.027277375
6209	Total_Formal_Charge	0
447001	Mono_Isotopic_Weight	302.08923998
66813453	Undefined_Bond_Stereo_Count	0
2372	Mono_Isotopic_Weight	345.19400834
18068	Hydrogen_Bond_Donor_Count	9
4453511	Structure_Complexity	417
640753	Rotatable_Bond_Count	2
3568	Tautomer_Count	383
2079	Defined_Bond_Stereo_Count	0
75779	Defined_Bond_Stereo_Count	0
5459796	Undefined_Atom_Stereo_Count	0
916113	Hydrogen_Bond_Acceptor_Count	4
61384	Non-hydrogen_Atom_Count	16
19382908	Rotatable_Bond_Count	2
53473572	Molecular_Weight	542.4
51397515	Defined_Atom_Stereo_Count	2
447234	Hydrogen_Bond_Acceptor_Count	4
7301	Isotope_Atom_Count	0
8015	Mono_Isotopic_Weight	68.037448136
23253567	Defined_Atom_Stereo_Count	4
10047045	Mono_Isotopic_Weight	408.20490738
93146	Covalent_Unit_Count	1
6917655	XLogP3-AA	4
77290	Defined_Atom_Stereo_Count	0
13199217	Non-hydrogen_Atom_Count	8
441406	Defined_Atom_Stereo_Count	7
222073	TPSA	26.3
273577	Defined_Bond_Stereo_Count	0
141354627	TPSA	59.4
47676	Isotope_Atom_Count	0
45157475	Total_Formal_Charge	0
30668	Undefined_Atom_Stereo_Count	1
9903930	Undefined_Atom_Stereo_Count	0
55289472	Defined_Bond_Stereo_Count	0
58608	TPSA	35.6
10239769	Molecular_Weight	555.6
9334	TPSA	18.1
591200	Total_Formal_Charge	0
18447	Structure_Complexity	423
11957572	TPSA	212
24901144	Structure_Complexity	644
632	Tautomer_Count	1
71584419	Hydrogen_Bond_Acceptor_Count	7
6371710	XLogP3-AA	1.7
14496	Hydrogen_Bond_Acceptor_Count	1
65562	Undefined_Atom_Stereo_Count	0
43389	Hydrogen_Bond_Donor_Count	0
5402	Defined_Atom_Stereo_Count	0
135413534	Defined_Atom_Stereo_Count	1
12216463	Defined_Atom_Stereo_Count	0
22081149	Molecular_Weight	94.11
44475990	Hydrogen_Bond_Donor_Count	2
55748	Defined_Bond_Stereo_Count	0
10173277	Undefined_Bond_Stereo_Count	0
13795010	XLogP3-AA	1
10616	Undefined_Bond_Stereo_Count	0
24153	Tautomer_Count	1
14069	Covalent_Unit_Count	1
13041095	Structure_Complexity	463
71210	Mono_Isotopic_Weight	227.094628657
57468	Exact_Mass	348.2099045
4268635	Mono_Isotopic_Weight	152.0392780
60196385	Undefined_Bond_Stereo_Count	0
2456	Molecular_Weight	247.31
11375816	Exact_Mass	518.4747169
12590274	Exact_Mass	100.052429494
71080	Non-hydrogen_Atom_Count	6
561657	Defined_Atom_Stereo_Count	0
16399351	Isotope_Atom_Count	0
26816	Hydrogen_Bond_Donor_Count	1
9255	Covalent_Unit_Count	1
164608	Total_Formal_Charge	0
15906386	Undefined_Bond_Stereo_Count	0
64032	Total_Formal_Charge	0
5496	Isotope_Atom_Count	0
5288494	TPSA	37.3
48000	Exact_Mass	696.34642666
3033842	Undefined_Atom_Stereo_Count	1
16404350	Exact_Mass	1201.84136802
12740469	Structure_Complexity	103
22348641	Defined_Atom_Stereo_Count	0
19241	Tautomer_Count	1
6919629	Mono_Isotopic_Weight	184.09736831
9215	XLogP3	3.4
11247	Covalent_Unit_Count	2
13485	Undefined_Atom_Stereo_Count	0
33514	Defined_Bond_Stereo_Count	0
398635	Covalent_Unit_Count	1
4165	Hydrogen_Bond_Acceptor_Count	5
11542775	Tautomer_Count	1
6245	Hydrogen_Bond_Donor_Count	4
117957447	Hydrogen_Bond_Donor_Count	2
12405	Hydrogen_Bond_Acceptor_Count	0
6452749	Covalent_Unit_Count	2
20588866	Undefined_Atom_Stereo_Count	0
6624	Mono_Isotopic_Weight	266.0265204
69333782	TPSA	45.2
158980	Isotope_Atom_Count	0
12285862	Molecular_Weight	180.16
92810	Rotatable_Bond_Count	1
21579141	Total_Formal_Charge	0
549405	Molecular_Weight	111.14
53324128	Exact_Mass	446.14642732
160554	Total_Formal_Charge	0
57541295	Defined_Atom_Stereo_Count	2
4194	Hydrogen_Bond_Donor_Count	1
70697255	Rotatable_Bond_Count	17
10276962	Covalent_Unit_Count	1
67350	Exact_Mass	266.12665706
5311169	Non-hydrogen_Atom_Count	96
60810	Defined_Bond_Stereo_Count	0
52165	Undefined_Bond_Stereo_Count	0
54687131	Mono_Isotopic_Weight	602.25879342
22392829	Structure_Complexity	108
96129	Hydrogen_Bond_Donor_Count	1
12302	Hydrogen_Bond_Acceptor_Count	2
71742706	Molecular_Weight	114.14
71462628	Rotatable_Bond_Count	9
139060830	Mono_Isotopic_Weight	269.116426730
13062961	Hydrogen_Bond_Donor_Count	1
12132	Mono_Isotopic_Weight	208.100048391
4180	Mono_Isotopic_Weight	293.03675924
21932259	Mono_Isotopic_Weight	405.02516722
2568	Hydrogen_Bond_Acceptor_Count	4
5484438	Covalent_Unit_Count	2
9467	Tautomer_Count	1
3035817	XLogP3-AA	2.8
651092	Exact_Mass	331.10314248
15950518	XLogP3-AA	2.2
3032281	Covalent_Unit_Count	1
23160101	Defined_Atom_Stereo_Count	0
9812414	Mono_Isotopic_Weight	594.98190558
7868	Defined_Bond_Stereo_Count	0
29971	Defined_Atom_Stereo_Count	0
2723694	Covalent_Unit_Count	1
10486803	Undefined_Bond_Stereo_Count	0
6433208	Mono_Isotopic_Weight	472.090968
119570	Exact_Mass	211.11431873
23528316	Mono_Isotopic_Weight	113.058911855
62428	Rotatable_Bond_Count	4
31528	Defined_Atom_Stereo_Count	0
69862751	Exact_Mass	128.0545783
636403	Mono_Isotopic_Weight	570.35565393
15457	Isotope_Atom_Count	0
14868	Isotope_Atom_Count	0
16133899	Defined_Atom_Stereo_Count	0
29228	Structure_Complexity	172
5281894	Total_Formal_Charge	0
16683093	Structure_Complexity	335
23663953	TPSA	97.9
16667503	Exact_Mass	892.5353131
10950142	Undefined_Bond_Stereo_Count	0
36382	Total_Formal_Charge	0
61691030	Hydrogen_Bond_Acceptor_Count	2
20568258	Rotatable_Bond_Count	3
6857473	Defined_Bond_Stereo_Count	0
9877	Covalent_Unit_Count	1
15748	XLogP3-AA	2.5
8366	TPSA	79.1
119507	Hydrogen_Bond_Donor_Count	2
13375090	Isotope_Atom_Count	0
57767271	Undefined_Bond_Stereo_Count	0
21139920	Undefined_Bond_Stereo_Count	0
709955	Total_Formal_Charge	0
10510843	Exact_Mass	117.078978594
12388	Covalent_Unit_Count	1
30487	Isotope_Atom_Count	0
18424867	Mono_Isotopic_Weight	101.022526347
19845539	Rotatable_Bond_Count	0
82734	Isotope_Atom_Count	0
158698	Hydrogen_Bond_Donor_Count	1
7647	Defined_Bond_Stereo_Count	0
94715	Rotatable_Bond_Count	1
17994055	Structure_Complexity	77.7
6450232	Isotope_Atom_Count	0
126505488	Hydrogen_Bond_Acceptor_Count	5
16197725	Defined_Atom_Stereo_Count	60
25023854	Hydrogen_Bond_Donor_Count	2
47641	Hydrogen_Bond_Acceptor_Count	1
1379	TPSA	55.8
11083864	Undefined_Atom_Stereo_Count	0
9881626	Undefined_Bond_Stereo_Count	0
208838	Covalent_Unit_Count	1
11122050	Defined_Bond_Stereo_Count	0
54272	Non-hydrogen_Atom_Count	23
5353356	Exact_Mass	198.03890469
441975	Tautomer_Count	1
3536595	Undefined_Bond_Stereo_Count	0
5373493	Covalent_Unit_Count	1
74356	TPSA	28.7
12535	Non-hydrogen_Atom_Count	30
1473879	Exact_Mass	252.03171130
75606	Structure_Complexity	80.2
16220109	Mono_Isotopic_Weight	182.130679813
18432427	Undefined_Atom_Stereo_Count	0
13586830	Covalent_Unit_Count	1
7200	Isotope_Atom_Count	0
11596983	XLogP3-AA	4.4
71429293	Hydrogen_Bond_Donor_Count	1
4167	Covalent_Unit_Count	1
88212048	Mono_Isotopic_Weight	118.062994177
11493841	Covalent_Unit_Count	1
11073371	Undefined_Atom_Stereo_Count	0
6438129	Undefined_Atom_Stereo_Count	1
6450551	Undefined_Atom_Stereo_Count	0
6917959	Defined_Bond_Stereo_Count	0
6917778	Non-hydrogen_Atom_Count	19
62770	Defined_Bond_Stereo_Count	0
1254	Mono_Isotopic_Weight	156.151415257
9434	Hydrogen_Bond_Acceptor_Count	2
249778	Defined_Atom_Stereo_Count	0
66764517	Structure_Complexity	97.5
130545	Hydrogen_Bond_Acceptor_Count	4
9936727	Non-hydrogen_Atom_Count	37
23540	Rotatable_Bond_Count	2
67108485	Exact_Mass	99.068413911
701718	XLogP3-AA	3.3
71652	Non-hydrogen_Atom_Count	23
54561872	Isotope_Atom_Count	0
118008485	Mono_Isotopic_Weight	110.073164938
55062	Rotatable_Bond_Count	3
13524524	Defined_Atom_Stereo_Count	0
45266646	Structure_Complexity	1110
65328	Covalent_Unit_Count	3
53346492	Undefined_Atom_Stereo_Count	0
66703794	Exact_Mass	171.05449518
3022	TPSA	87.7
23568701	Covalent_Unit_Count	1
46231556	Covalent_Unit_Count	1
534055	Total_Formal_Charge	0
59904965	Molecular_Weight	21.065
10930781	Mono_Isotopic_Weight	790.22615588
71517698	TPSA	125
5045	Non-hydrogen_Atom_Count	28
382	Defined_Atom_Stereo_Count	0
4523964	Covalent_Unit_Count	1
72568	Structure_Complexity	322
64948	Exact_Mass	254.11676108
64824	Defined_Bond_Stereo_Count	0
21769	Molecular_Weight	348.9
57173187	Structure_Complexity	90.7
21867279	Non-hydrogen_Atom_Count	3
441014	Exact_Mass	342.11621151
87410	Rotatable_Bond_Count	8
19994812	Hydrogen_Bond_Donor_Count	1
32468	Defined_Atom_Stereo_Count	0
6520	Undefined_Atom_Stereo_Count	0
24755478	Exact_Mass	434.22776808
9954114	Defined_Atom_Stereo_Count	0
3086167	Total_Formal_Charge	0
83975	Hydrogen_Bond_Acceptor_Count	4
11279	Structure_Complexity	155
6433083	Undefined_Bond_Stereo_Count	0
17168	Non-hydrogen_Atom_Count	17
216325	Molecular_Weight	616.9
71309905	Covalent_Unit_Count	1
22726089	Defined_Atom_Stereo_Count	0
5154	TPSA	40.8
55910	Non-hydrogen_Atom_Count	18
51392	Exact_Mass	284.282763776
57473011	Covalent_Unit_Count	1
4438527	Molecular_Weight	679.0
135761165	Molecular_Weight	439.4
6438712	Exact_Mass	290.15180918
83569	Covalent_Unit_Count	1
3243871	Defined_Bond_Stereo_Count	0
11582982	Non-hydrogen_Atom_Count	30
5460610	Defined_Bond_Stereo_Count	0
21806052	XLogP3-AA	0.4
10131134	Defined_Bond_Stereo_Count	0
66646	Tautomer_Count	4
11480401	Defined_Bond_Stereo_Count	0
5288606	Hydrogen_Bond_Acceptor_Count	1
2909	Defined_Bond_Stereo_Count	0
101684738	Structure_Complexity	133
2762919	Covalent_Unit_Count	1
4695	Total_Formal_Charge	1
677	Structure_Complexity	118
9883029	Covalent_Unit_Count	1
445785	Undefined_Bond_Stereo_Count	0
969108	Undefined_Bond_Stereo_Count	0
10330781	XLogP3	0.9
53317131	Undefined_Bond_Stereo_Count	0
5366149	Isotope_Atom_Count	0
4951	Molecular_Weight	530.6
121235530	Exact_Mass	3356.8220541
136102	Undefined_Atom_Stereo_Count	0
37933	Non-hydrogen_Atom_Count	28
47198	Hydrogen_Bond_Acceptor_Count	2
70482	TPSA	29.1
42713	Undefined_Bond_Stereo_Count	0
130028471	Covalent_Unit_Count	1
23369154	Structure_Complexity	82.1
145946920	Hydrogen_Bond_Donor_Count	8
3335	Total_Formal_Charge	0
71449859	Covalent_Unit_Count	1
459140	Exact_Mass	314.105527694
20251205	Exact_Mass	112.063662883
49843517	XLogP3-AA	7.7
43997	Defined_Bond_Stereo_Count	0
54015928	Mono_Isotopic_Weight	97.052763847
34800	Defined_Bond_Stereo_Count	0
21988305	Isotope_Atom_Count	0
121148	Defined_Atom_Stereo_Count	0
3423265	Rotatable_Bond_Count	12
168701	TPSA	108
173636	Total_Formal_Charge	0
26955	Structure_Complexity	292
57856017	Rotatable_Bond_Count	0
147570519	Non-hydrogen_Atom_Count	7
9874875	XLogP3-AA	8.1
87474167	Structure_Complexity	79.8
63503	Defined_Bond_Stereo_Count	0
13627570	Total_Formal_Charge	0
145751	Undefined_Atom_Stereo_Count	1
509147	Structure_Complexity	322
521874	Mono_Isotopic_Weight	83.0137915
163962080	Covalent_Unit_Count	1
81320	TPSA	52.6
32681	Total_Formal_Charge	0
123865	TPSA	248
13332726	Structure_Complexity	123
15558252	Structure_Complexity	1410
260859	Undefined_Bond_Stereo_Count	0
147614	Exact_Mass	130.110613074
4449	Mono_Isotopic_Weight	469.2244530
91012209	Hydrogen_Bond_Donor_Count	1
141315	Non-hydrogen_Atom_Count	8
67691	Total_Formal_Charge	0
5282468	Non-hydrogen_Atom_Count	41
135484128	Molecular_Weight	600.7
41936	Defined_Atom_Stereo_Count	0
139593369	TPSA	289
162883449	Rotatable_Bond_Count	6
341876	TPSA	41.6
7000	Undefined_Bond_Stereo_Count	0
6446	Total_Formal_Charge	0
135398700	Rotatable_Bond_Count	0
130023	Hydrogen_Bond_Donor_Count	2
154986845	XLogP3-AA	1.1
155491233	Hydrogen_Bond_Acceptor_Count	8
1139	Exact_Mass	322.05660244
1413	Rotatable_Bond_Count	14
492767	Total_Formal_Charge	0
73013	Non-hydrogen_Atom_Count	27
12763	Hydrogen_Bond_Donor_Count	0
6918178	Undefined_Atom_Stereo_Count	0
68952	Rotatable_Bond_Count	5
25113157	Defined_Atom_Stereo_Count	2
72207871	Covalent_Unit_Count	1
623	Exact_Mass	387.02326768
12213229	TPSA	75.3
154474669	Mono_Isotopic_Weight	99.068413911
9960	Total_Formal_Charge	0
63093	TPSA	0
14146878	Rotatable_Bond_Count	0
25314	Molecular_Weight	291.8
24891699	TPSA	80.2
62576	Isotope_Atom_Count	0
20502	Total_Formal_Charge	0
13166770	Undefined_Bond_Stereo_Count	0
5254	Isotope_Atom_Count	0
522708	Covalent_Unit_Count	1
16161315	Tautomer_Count	1000
113917	Rotatable_Bond_Count	4
15145	Hydrogen_Bond_Acceptor_Count	1
135413505	Structure_Complexity	415
3082052	Covalent_Unit_Count	1
77286	XLogP3	2.7
162895062	Rotatable_Bond_Count	3
43853	Isotope_Atom_Count	0
9863	Isotope_Atom_Count	0
119361	Molecular_Weight	312.2
8263	Isotope_Atom_Count	0
11808	Exact_Mass	257.97524
35801	Total_Formal_Charge	0
138077	Covalent_Unit_Count	1
4679	Hydrogen_Bond_Acceptor_Count	9
76141	Mono_Isotopic_Weight	71.073499291
71305034	Hydrogen_Bond_Donor_Count	2
12976	Rotatable_Bond_Count	1
108242	Structure_Complexity	375
11650986	Hydrogen_Bond_Donor_Count	4
2723706	Structure_Complexity	173
81882	Covalent_Unit_Count	1
62770	Isotope_Atom_Count	0
11423559	Structure_Complexity	131
465585	Undefined_Atom_Stereo_Count	0
54344827	Undefined_Atom_Stereo_Count	1
916113	Structure_Complexity	506
12590282	Hydrogen_Bond_Donor_Count	0
130804992	TPSA	21.3
21702831	Undefined_Bond_Stereo_Count	0
200742	Hydrogen_Bond_Donor_Count	0
234818	Total_Formal_Charge	0
1326	Isotope_Atom_Count	0
21694866	Hydrogen_Bond_Donor_Count	1
6028739	XLogP3-AA	1.2
154914	Undefined_Atom_Stereo_Count	0
5447	Undefined_Atom_Stereo_Count	0
86429	XLogP3-AA	3.6
76337	Defined_Bond_Stereo_Count	0
5280970	Covalent_Unit_Count	1
87586559	Structure_Complexity	137
161930	Undefined_Bond_Stereo_Count	0
17863	Covalent_Unit_Count	2
68975085	Defined_Atom_Stereo_Count	0
94190	Undefined_Atom_Stereo_Count	0
3033017	Covalent_Unit_Count	1
25201794	Isotope_Atom_Count	0
22271690	Undefined_Bond_Stereo_Count	0
23103	Undefined_Bond_Stereo_Count	0
8377	Undefined_Bond_Stereo_Count	0
830033	Defined_Bond_Stereo_Count	0
56738	Covalent_Unit_Count	1
29179	Structure_Complexity	50.3
90165975	Structure_Complexity	382
107871	Total_Formal_Charge	0
5805243	Undefined_Atom_Stereo_Count	0
58387740	Covalent_Unit_Count	1
9699	Defined_Atom_Stereo_Count	0
12452576	Non-hydrogen_Atom_Count	6
344200	Hydrogen_Bond_Donor_Count	3
890907	Hydrogen_Bond_Donor_Count	1
519275	Defined_Bond_Stereo_Count	0
13046622	Undefined_Atom_Stereo_Count	0
45788574	Defined_Atom_Stereo_Count	0
10758	Isotope_Atom_Count	0
10701	Mono_Isotopic_Weight	113.022526347
13532837	Total_Formal_Charge	0
11954310	TPSA	43.4
267210	Hydrogen_Bond_Acceptor_Count	3
447980	TPSA	57.7
13203	Non-hydrogen_Atom_Count	8
50936926	TPSA	85.8
11310242	XLogP3-AA	5.4
123600	Non-hydrogen_Atom_Count	17
40473166	Covalent_Unit_Count	1
644131	Hydrogen_Bond_Donor_Count	6
3829279	Defined_Bond_Stereo_Count	0
21070	Rotatable_Bond_Count	7
5283134	Molecular_Weight	625.8
751	Rotatable_Bond_Count	2
16834	Total_Formal_Charge	0
54725318	Hydrogen_Bond_Acceptor_Count	7
57395977	Structure_Complexity	570
3251	Undefined_Bond_Stereo_Count	0
24450	Total_Formal_Charge	0
135565082	Defined_Atom_Stereo_Count	2
62389905	Molecular_Weight	99.17
14369	Structure_Complexity	334
138891	Undefined_Bond_Stereo_Count	0
5365332	Exact_Mass	101.084063974
6116	Isotope_Atom_Count	0
74570	Mono_Isotopic_Weight	162.9955546
71316600	XLogP3-AA	7.7
19738468	Exact_Mass	114.068079557
9828356	Undefined_Bond_Stereo_Count	0
52706	Tautomer_Count	2
45117282	Isotope_Atom_Count	0
21242473	Total_Formal_Charge	0
76715077	Covalent_Unit_Count	1
144189552	Exact_Mass	113.047678466
94777	Exact_Mass	257.10519334
25203302	Defined_Bond_Stereo_Count	0
78160	Rotatable_Bond_Count	5
18768052	Defined_Atom_Stereo_Count	0
135398627	Defined_Atom_Stereo_Count	9
12509715	Hydrogen_Bond_Acceptor_Count	1
551249	Covalent_Unit_Count	1
9818024	Exact_Mass	306.21949481
539829	TPSA	52.6
6421522	Total_Formal_Charge	0
25182616	Isotope_Atom_Count	0
852344	Tautomer_Count	7
31365	Undefined_Atom_Stereo_Count	2
74506	Structure_Complexity	235
7216	Total_Formal_Charge	0
23676755	Undefined_Bond_Stereo_Count	0
6652	Mono_Isotopic_Weight	204.151415257
500	Hydrogen_Bond_Donor_Count	3
139078414	Total_Formal_Charge	0
241902	Defined_Atom_Stereo_Count	9
54700	Hydrogen_Bond_Acceptor_Count	4
53316391	Molecular_Weight	386.5
55278707	Undefined_Bond_Stereo_Count	0
9330	Covalent_Unit_Count	1
61785	Hydrogen_Bond_Donor_Count	1
12372	Total_Formal_Charge	0
10297	Defined_Bond_Stereo_Count	0
47759	Exact_Mass	382.15624311
2795	Covalent_Unit_Count	1
68432538	Mono_Isotopic_Weight	100.052429494
19935251	Rotatable_Bond_Count	0
139637653	Exact_Mass	101.047678466
10953464	Hydrogen_Bond_Donor_Count	2
14160348	Defined_Atom_Stereo_Count	0
16129688	Exact_Mass	1619.71036639
5357479	Undefined_Atom_Stereo_Count	0
687	Hydrogen_Bond_Donor_Count	5
10898645	Exact_Mass	94.053098200
10271	Non-hydrogen_Atom_Count	16
309	Total_Formal_Charge	0
146461	XLogP3	2.2
14812	Undefined_Bond_Stereo_Count	0
296464	Rotatable_Bond_Count	3
3811100	Defined_Bond_Stereo_Count	0
124708040	Hydrogen_Bond_Acceptor_Count	11
9839190	Exact_Mass	297.147726857
9871420	XLogP3-AA	3
26956	Defined_Atom_Stereo_Count	5
58604354	Undefined_Atom_Stereo_Count	2
3057	Undefined_Bond_Stereo_Count	0
524674	Undefined_Atom_Stereo_Count	2
173058	Undefined_Bond_Stereo_Count	0
4496	Tautomer_Count	2
46231499	TPSA	97.4
73182	Non-hydrogen_Atom_Count	11
98282	Tautomer_Count	3
38852	Covalent_Unit_Count	5
10449	Rotatable_Bond_Count	2
22817455	Undefined_Bond_Stereo_Count	0
12386878	Non-hydrogen_Atom_Count	6
9911138	Hydrogen_Bond_Donor_Count	2
70590037	Non-hydrogen_Atom_Count	37
123919	Structure_Complexity	163
57448758	Hydrogen_Bond_Donor_Count	9
154237264	Undefined_Bond_Stereo_Count	0
3034047	Total_Formal_Charge	0
153994	Non-hydrogen_Atom_Count	30
2915	Isotope_Atom_Count	0
54581774	Rotatable_Bond_Count	5
24763202	Hydrogen_Bond_Acceptor_Count	4
54526114	Structure_Complexity	92.7
42648	Hydrogen_Bond_Acceptor_Count	6
15229227	Mono_Isotopic_Weight	231.0450916
30921	Defined_Atom_Stereo_Count	0
69140538	TPSA	47.6
23661868	Non-hydrogen_Atom_Count	15
8154	Structure_Complexity	181
61080	Defined_Bond_Stereo_Count	0
23090352	Defined_Bond_Stereo_Count	0
8122	Rotatable_Bond_Count	18
587128	Non-hydrogen_Atom_Count	11
14671573	XLogP3-AA	1.8
2906	Non-hydrogen_Atom_Count	6
16622	XLogP3-AA	3.3
119086019	TPSA	61.3
82650946	Undefined_Atom_Stereo_Count	0
13012673	Non-hydrogen_Atom_Count	5
6434217	Covalent_Unit_Count	1
122197581	Defined_Bond_Stereo_Count	0
11455910	Isotope_Atom_Count	0
16682730	TPSA	26.3
9848	Mono_Isotopic_Weight	87.048427358
72566	Defined_Atom_Stereo_Count	0
129236	TPSA	93.5
54767229	Hydrogen_Bond_Donor_Count	1
535535	Undefined_Atom_Stereo_Count	0
58562	Undefined_Bond_Stereo_Count	0
11693521	Exact_Mass	811.47314329
151726	Mono_Isotopic_Weight	125.047678466
20281045	Undefined_Bond_Stereo_Count	0
26651	Non-hydrogen_Atom_Count	30
123134107	Undefined_Atom_Stereo_Count	3
1361	Covalent_Unit_Count	1
91537	Rotatable_Bond_Count	6
184841	XLogP3-AA	2.9
14728565	Non-hydrogen_Atom_Count	15
6446980	Rotatable_Bond_Count	1
10138260	Rotatable_Bond_Count	6
22186211	Exact_Mass	100.052429494
22721510	Exact_Mass	109.016378338
162990684	Molecular_Weight	665.7
526	Defined_Bond_Stereo_Count	0
54071	Tautomer_Count	2
56649416	Defined_Atom_Stereo_Count	11
28754	Covalent_Unit_Count	1
57399438	Structure_Complexity	552
4866625	Exact_Mass	82.078250319
398701	Total_Formal_Charge	0
91981561	Molecular_Weight	481.9
21889252	Undefined_Atom_Stereo_Count	0
74823	Rotatable_Bond_Count	4
134823960	Non-hydrogen_Atom_Count	19
29935	Mono_Isotopic_Weight	81.057849228
154557922	Structure_Complexity	90.1
65940	Total_Formal_Charge	0
12713	TPSA	26.3
441975	Molecular_Weight	352.4
63400	Non-hydrogen_Atom_Count	24
74685737	Covalent_Unit_Count	1
91583	Covalent_Unit_Count	1
4616292	Undefined_Atom_Stereo_Count	5
123404946	Mono_Isotopic_Weight	107.073499291
61591	Isotope_Atom_Count	0
93019	XLogP3-AA	1.3
25272039	Undefined_Atom_Stereo_Count	0
8374	Total_Formal_Charge	0
10297982	Hydrogen_Bond_Donor_Count	3
11961423	Exact_Mass	112.063662883
14718277	Molecular_Weight	112.13
483998	Undefined_Atom_Stereo_Count	1
44427236	Defined_Atom_Stereo_Count	0
124013	Molecular_Weight	319.18
9571009	Exact_Mass	222.06742811
21914607	Undefined_Bond_Stereo_Count	0
71986	Total_Formal_Charge	0
364704	Structure_Complexity	435
12741	Isotope_Atom_Count	0
13808289	Non-hydrogen_Atom_Count	8
68321924	TPSA	80.8
129628447	Defined_Bond_Stereo_Count	5
809622	Undefined_Bond_Stereo_Count	0
122130461	Defined_Atom_Stereo_Count	1
101992406	XLogP3-AA	1.2
13641	Defined_Bond_Stereo_Count	0
74229	Total_Formal_Charge	0
14965861	Defined_Bond_Stereo_Count	0
20135736	Defined_Atom_Stereo_Count	0
92110	Rotatable_Bond_Count	4
2647	Structure_Complexity	715
146382	Undefined_Bond_Stereo_Count	2
55288133	Defined_Bond_Stereo_Count	0
82728	Non-hydrogen_Atom_Count	11
11837140	Defined_Bond_Stereo_Count	0
16683012	Hydrogen_Bond_Donor_Count	15
994360	TPSA	84.1
28871	TPSA	78.4
3086157	Hydrogen_Bond_Donor_Count	1
65937	Tautomer_Count	2
14453671	Undefined_Bond_Stereo_Count	0
60196404	Hydrogen_Bond_Donor_Count	1
54891	Structure_Complexity	648
5289289	Undefined_Atom_Stereo_Count	0
87810	Undefined_Bond_Stereo_Count	0
148931547	Mono_Isotopic_Weight	1201.84136802
62737	Non-hydrogen_Atom_Count	28
20372060	TPSA	46.2
60552	Undefined_Atom_Stereo_Count	1
12942137	Molecular_Weight	301.5
60196360	Undefined_Atom_Stereo_Count	1
201734	Undefined_Atom_Stereo_Count	0
13248582	Hydrogen_Bond_Donor_Count	0
6538999	Undefined_Atom_Stereo_Count	1
46203882	Defined_Atom_Stereo_Count	0
694743	Structure_Complexity	368
13707503	Rotatable_Bond_Count	2
2378095	Covalent_Unit_Count	1
107654	Total_Formal_Charge	0
734	Undefined_Bond_Stereo_Count	1
445049	Structure_Complexity	459
51464	XLogP3	6.5
96135	Undefined_Bond_Stereo_Count	0
103535	Covalent_Unit_Count	1
931	Hydrogen_Bond_Donor_Count	0
480953	Isotope_Atom_Count	0
12940550	Hydrogen_Bond_Donor_Count	1
11789033	Rotatable_Bond_Count	4
141336344	Isotope_Atom_Count	0
6815	XLogP3-AA	8.6
9852904	Non-hydrogen_Atom_Count	47
642	Total_Formal_Charge	0
15979	Isotope_Atom_Count	0
98810	XLogP3	0.2
91041225	Defined_Bond_Stereo_Count	0
71622657	Hydrogen_Bond_Donor_Count	1
67236438	Hydrogen_Bond_Donor_Count	3
66553195	Molecular_Weight	386.6
71661882	Hydrogen_Bond_Donor_Count	1
21133161	XLogP3-AA	1.1
11966	Rotatable_Bond_Count	4
5460221	Undefined_Bond_Stereo_Count	0
25244048	Covalent_Unit_Count	1
119339	Hydrogen_Bond_Donor_Count	9
89353	Total_Formal_Charge	0
138125	Covalent_Unit_Count	1
517313	Undefined_Atom_Stereo_Count	0
6173	Rotatable_Bond_Count	2
140229090	TPSA	21.6
4055279	Covalent_Unit_Count	1
3140	Isotope_Atom_Count	0
527511	Undefined_Atom_Stereo_Count	0
2645	Mono_Isotopic_Weight	557.12501980
52361	Rotatable_Bond_Count	7
5280373	Undefined_Bond_Stereo_Count	0
60044069	Undefined_Bond_Stereo_Count	0
2764838	Hydrogen_Bond_Donor_Count	0
44359653	Defined_Atom_Stereo_Count	9
138148	Mono_Isotopic_Weight	100.088815002
21824034	TPSA	64.7
9903930	Structure_Complexity	375
5351564	Non-hydrogen_Atom_Count	24
53869954	Defined_Atom_Stereo_Count	0
135618542	Hydrogen_Bond_Acceptor_Count	14
44443938	Mono_Isotopic_Weight	510.16609434
25261	Non-hydrogen_Atom_Count	22
88336	Rotatable_Bond_Count	0
5284380	Rotatable_Bond_Count	5
7560	Hydrogen_Bond_Acceptor_Count	1
66412	TPSA	21.6
107992	Tautomer_Count	1
10090005	Isotope_Atom_Count	0
11297617	TPSA	248
6	Structure_Complexity	224
74651	Defined_Bond_Stereo_Count	0
12259684	Defined_Bond_Stereo_Count	0
1551246	Isotope_Atom_Count	0
44206533	Hydrogen_Bond_Donor_Count	0
16051954	TPSA	531
5324166	Total_Formal_Charge	0
132274082	Exact_Mass	1201.84136802
20472034	Covalent_Unit_Count	1
11817188	Defined_Atom_Stereo_Count	0
7241	Rotatable_Bond_Count	0
129316177	Total_Formal_Charge	0
18510	Isotope_Atom_Count	0
8723	Covalent_Unit_Count	1
91500	Structure_Complexity	10
720561	Structure_Complexity	183
17779323	Covalent_Unit_Count	1
15633846	Covalent_Unit_Count	1
763244	Total_Formal_Charge	0
106824140	Hydrogen_Bond_Acceptor_Count	3
44345665	Defined_Atom_Stereo_Count	0
5462077	Molecular_Weight	272.39
10341191	Total_Formal_Charge	0
57401295	XLogP3-AA	3
123725105	Defined_Atom_Stereo_Count	0
5324278	Mono_Isotopic_Weight	87.068413911
94932	Hydrogen_Bond_Donor_Count	2
113606	Molecular_Weight	195.17
46244173	Covalent_Unit_Count	1
23665765	Defined_Atom_Stereo_Count	0
42051894	Total_Formal_Charge	0
12734569	Non-hydrogen_Atom_Count	8
9802545	Hydrogen_Bond_Acceptor_Count	7
3054741	Isotope_Atom_Count	0
21777	Total_Formal_Charge	0
10080510	Tautomer_Count	1
89737	Undefined_Bond_Stereo_Count	0
15953353	Total_Formal_Charge	0
71584542	TPSA	89
19951	Hydrogen_Bond_Donor_Count	0
633546	Hydrogen_Bond_Donor_Count	0
20797	Covalent_Unit_Count	1
160889158	Total_Formal_Charge	0
9568613	Structure_Complexity	453
1707	Defined_Atom_Stereo_Count	0
5742832	Covalent_Unit_Count	1
60144418	XLogP3-AA	2.5
439655	Rotatable_Bond_Count	3
8104	Non-hydrogen_Atom_Count	7
23557886	Covalent_Unit_Count	1
3081362	Undefined_Atom_Stereo_Count	0
136838	XLogP3-AA	3
12746	Defined_Atom_Stereo_Count	0
11326126	Undefined_Atom_Stereo_Count	0
152199271	Hydrogen_Bond_Donor_Count	0
5284518	Mono_Isotopic_Weight	348.23727013
9823224	Molecular_Weight	416.6
11094575	Hydrogen_Bond_Donor_Count	1
4764	Defined_Atom_Stereo_Count	0
74619	Total_Formal_Charge	0
17856120	Isotope_Atom_Count	0
521962	Exact_Mass	110.109550447
5367785	Hydrogen_Bond_Donor_Count	0
71584405	Hydrogen_Bond_Donor_Count	2
24848403	Mono_Isotopic_Weight	321.1971756
533519	Undefined_Atom_Stereo_Count	1
123603692	Non-hydrogen_Atom_Count	8
24769	Defined_Bond_Stereo_Count	0
19606581	Hydrogen_Bond_Acceptor_Count	4
5473268	Total_Formal_Charge	0
8190	TPSA	47.9
46783812	Tautomer_Count	1001
18831	Molecular_Weight	145.55
131238	Covalent_Unit_Count	1
114911	Total_Formal_Charge	0
123613360	Hydrogen_Bond_Donor_Count	0
22222161	XLogP3-AA	0.5
18102	Rotatable_Bond_Count	1
165412951	Covalent_Unit_Count	1
67112	Non-hydrogen_Atom_Count	15
13020083	Hydrogen_Bond_Acceptor_Count	10
23574562	Hydrogen_Bond_Acceptor_Count	1
24203	Mono_Isotopic_Weight	141.94078407
101815861	TPSA	59.5
24180709	Hydrogen_Bond_Donor_Count	4
10308091	Defined_Bond_Stereo_Count	0
17884	Isotope_Atom_Count	0
16212959	Defined_Atom_Stereo_Count	4
11672764	Hydrogen_Bond_Acceptor_Count	6
11080	Hydrogen_Bond_Acceptor_Count	2
77011628	Hydrogen_Bond_Acceptor_Count	3
19743370	Molecular_Weight	116.16
4556055	Mono_Isotopic_Weight	344.23380221
151707353	Total_Formal_Charge	0
444237	Structure_Complexity	2230
66636	TPSA	59
56673678	Non-hydrogen_Atom_Count	25
69684	Mono_Isotopic_Weight	142.110613074
10799	Mono_Isotopic_Weight	348.066641
282752	Mono_Isotopic_Weight	245.0091000
71308696	Defined_Bond_Stereo_Count	0
59696370	Defined_Atom_Stereo_Count	0
12394645	Defined_Atom_Stereo_Count	0
56993535	Rotatable_Bond_Count	1
14022509	Total_Formal_Charge	0
80483237	Mono_Isotopic_Weight	108.057514874
2943	Hydrogen_Bond_Acceptor_Count	4
62354	Isotope_Atom_Count	0
5193	Undefined_Atom_Stereo_Count	1
12546246	Hydrogen_Bond_Donor_Count	0
45749	Isotope_Atom_Count	0
127	XLogP3	0.8
154183660	Defined_Bond_Stereo_Count	0
23629997	Covalent_Unit_Count	1
23662264	Mono_Isotopic_Weight	217.906892
32966	XLogP3	0.2
53817503	XLogP3-AA	1.1
6109	Hydrogen_Bond_Acceptor_Count	10
30410	Isotope_Atom_Count	0
2132	Undefined_Bond_Stereo_Count	0
2063	Total_Formal_Charge	0
5284341	Molecular_Weight	205.68
59116084	Covalent_Unit_Count	1
693315	Defined_Atom_Stereo_Count	0
10004622	Undefined_Bond_Stereo_Count	0
14849271	Undefined_Bond_Stereo_Count	0
52944535	Molecular_Weight	414.9
67542	Hydrogen_Bond_Acceptor_Count	13
36781	TPSA	21.3
13059495	Defined_Atom_Stereo_Count	6
73895182	Non-hydrogen_Atom_Count	23
55287301	TPSA	12
219121	Tautomer_Count	10
90891909	Rotatable_Bond_Count	2
41733	Covalent_Unit_Count	2
10953453	XLogP3-AA	0.4
73977860	Non-hydrogen_Atom_Count	8
131709156	Covalent_Unit_Count	5
54543950	Defined_Bond_Stereo_Count	0
12773795	TPSA	27
91465	XLogP3-AA	9.4
10104496	Hydrogen_Bond_Acceptor_Count	4
13848132	Hydrogen_Bond_Acceptor_Count	3
70695634	Undefined_Bond_Stereo_Count	0
137212229	Exact_Mass	87.043261792
33360	Exact_Mass	286.08749484
129827453	Structure_Complexity	387
6337677	Hydrogen_Bond_Acceptor_Count	7
5410	Mono_Isotopic_Weight	344.23514488
66970	Defined_Bond_Stereo_Count	0
18798529	Hydrogen_Bond_Acceptor_Count	0
49869035	TPSA	60
101742	Tautomer_Count	2
23668193	Rotatable_Bond_Count	0
6509808	Exact_Mass	515.19124889
2137	Hydrogen_Bond_Donor_Count	1
69532978	Defined_Bond_Stereo_Count	0
12687	Defined_Bond_Stereo_Count	0
57091294	Isotope_Atom_Count	0
3995	Structure_Complexity	320
1284234	Undefined_Atom_Stereo_Count	0
5288998	Isotope_Atom_Count	0
149798	Isotope_Atom_Count	0
3343	Structure_Complexity	310
236	TPSA	106
5360237	Hydrogen_Bond_Acceptor_Count	19
21881641	Non-hydrogen_Atom_Count	58
11625778	Exact_Mass	413.19507097
44629601	Isotope_Atom_Count	0
3082393	Isotope_Atom_Count	0
1333	Non-hydrogen_Atom_Count	16
135449518	Undefined_Bond_Stereo_Count	0
53373584	Mono_Isotopic_Weight	837.49281610
693241	Hydrogen_Bond_Donor_Count	0
2734230	TPSA	8.8
24780	Mono_Isotopic_Weight	500.30708103
4380970	Undefined_Bond_Stereo_Count	0
31018	Rotatable_Bond_Count	1
10171348	Defined_Bond_Stereo_Count	1
3566445	Mono_Isotopic_Weight	94.98029013
153270	Exact_Mass	523.20669828
5748217	Non-hydrogen_Atom_Count	33
25199798	Exact_Mass	263.034456
363475	Undefined_Bond_Stereo_Count	0
28705	Undefined_Bond_Stereo_Count	0
523523	Mono_Isotopic_Weight	96.093900383
9863672	Exact_Mass	323.11037616
59876594	Isotope_Atom_Count	0
91399	Exact_Mass	460.30111643
71359064	Defined_Bond_Stereo_Count	0
81261	Undefined_Atom_Stereo_Count	0
5460819	Total_Formal_Charge	1
82755	Tautomer_Count	18
15580	Exact_Mass	276.0319997
72683639	Defined_Atom_Stereo_Count	0
73608879	Mono_Isotopic_Weight	120.90381
14200857	Undefined_Atom_Stereo_Count	0
127030167	Exact_Mass	932.52271925
20890	Undefined_Bond_Stereo_Count	0
44412	Structure_Complexity	44.1
21987892	Undefined_Atom_Stereo_Count	0
7087	XLogP3	3.9
144416139	Total_Formal_Charge	0
11611114	Total_Formal_Charge	0
5831	Covalent_Unit_Count	2
14808025	Hydrogen_Bond_Donor_Count	1
13674270	Defined_Atom_Stereo_Count	0
558889	Defined_Atom_Stereo_Count	0
137553931	Covalent_Unit_Count	1
10586	Undefined_Bond_Stereo_Count	0
31265	Structure_Complexity	89.3
6420096	Exact_Mass	47.037113783
854389	Hydrogen_Bond_Donor_Count	1
257761	Defined_Bond_Stereo_Count	0
57190813	Isotope_Atom_Count	0
135596593	Defined_Atom_Stereo_Count	5
12471321	Defined_Bond_Stereo_Count	0
15535273	Non-hydrogen_Atom_Count	7
219025	Total_Formal_Charge	0
20333380	Total_Formal_Charge	0
92839	Exact_Mass	152.083729621
124085867	Hydrogen_Bond_Donor_Count	0
18032	Hydrogen_Bond_Acceptor_Count	6
67248938	Total_Formal_Charge	0
77313	Hydrogen_Bond_Donor_Count	0
527559	Isotope_Atom_Count	0
3811100	Isotope_Atom_Count	0
3828	Hydrogen_Bond_Donor_Count	0
13059495	Tautomer_Count	2
121639	Rotatable_Bond_Count	11
16822	XLogP3	0.8
61741273	Total_Formal_Charge	0
31307	Molecular_Weight	394.4
139244568	Rotatable_Bond_Count	2
4697	Molecular_Weight	435.6
5288679	Rotatable_Bond_Count	6
4413	TPSA	141
21893797	XLogP3-AA	0.8
21585117	Undefined_Atom_Stereo_Count	0
123841971	Non-hydrogen_Atom_Count	7
62305	Non-hydrogen_Atom_Count	34
10237241	Undefined_Atom_Stereo_Count	0
12362	Hydrogen_Bond_Acceptor_Count	3
123268	TPSA	40.1
566433	TPSA	26.3
9865515	Defined_Atom_Stereo_Count	0
600269	Exact_Mass	175.04557046
67045	Undefined_Atom_Stereo_Count	0
25271829	Undefined_Bond_Stereo_Count	0
5311346	Undefined_Atom_Stereo_Count	0
8857	Structure_Complexity	49.5
15034633	Hydrogen_Bond_Donor_Count	0
3083943	Tautomer_Count	1
10350561	Covalent_Unit_Count	1
247469	TPSA	40.5
5371002	Isotope_Atom_Count	0
24900424	Hydrogen_Bond_Donor_Count	5
60196353	Isotope_Atom_Count	0
92386	TPSA	35.5
31593	Total_Formal_Charge	0
135415867	Hydrogen_Bond_Donor_Count	2
9831783	Non-hydrogen_Atom_Count	52
16241	Total_Formal_Charge	0
3355	Hydrogen_Bond_Acceptor_Count	10
441397	Hydrogen_Bond_Donor_Count	2
134694678	Undefined_Bond_Stereo_Count	1
8140	XLogP3	4.9
692726	Undefined_Bond_Stereo_Count	1
57303454	Molecular_Weight	94.11
9821690	Defined_Bond_Stereo_Count	0
21611	Hydrogen_Bond_Acceptor_Count	2
13081	Exact_Mass	341.9738580
57397775	Total_Formal_Charge	0
118305111	Defined_Bond_Stereo_Count	0
253877	Undefined_Atom_Stereo_Count	0
86784	Structure_Complexity	85
89389546	Covalent_Unit_Count	1
12786810	Structure_Complexity	95.6
673970	TPSA	122
20903	XLogP3-AA	1.3
8049	Undefined_Atom_Stereo_Count	0
15278170	Hydrogen_Bond_Donor_Count	1
99451	Rotatable_Bond_Count	0
54307	Tautomer_Count	5
45933929	Defined_Bond_Stereo_Count	0
407	Isotope_Atom_Count	0
6440877	Isotope_Atom_Count	0
1821	Hydrogen_Bond_Donor_Count	4
136255	XLogP3-AA	3
9892815	Mono_Isotopic_Weight	518.13345680
3081362	Tautomer_Count	970
87653	Defined_Atom_Stereo_Count	0
74208	Hydrogen_Bond_Acceptor_Count	2
19049960	Undefined_Bond_Stereo_Count	0
10287749	XLogP3-AA	3.6
89504167	Structure_Complexity	284
15617	XLogP3-AA	0.4
48104	Exact_Mass	259.1339066
76965007	Non-hydrogen_Atom_Count	26
4302960	XLogP3-AA	4.8
123671885	Covalent_Unit_Count	1
4112	Total_Formal_Charge	0
138539	Rotatable_Bond_Count	1
4931	Defined_Bond_Stereo_Count	0
121192	Rotatable_Bond_Count	0
119525	Hydrogen_Bond_Acceptor_Count	10
21185116	Rotatable_Bond_Count	0
94020	Total_Formal_Charge	0
23430	Mono_Isotopic_Weight	448.18456586
198706	Hydrogen_Bond_Acceptor_Count	5
18725	XLogP3	10.4
62403	Molecular_Weight	712.7
441082	Isotope_Atom_Count	0
22320975	Undefined_Bond_Stereo_Count	0
68135832	Covalent_Unit_Count	1
89226742	Hydrogen_Bond_Acceptor_Count	2
89951991	Covalent_Unit_Count	1
59087	Structure_Complexity	455
21303152	Covalent_Unit_Count	1
11146968	Molecular_Weight	719.0
4927	Defined_Bond_Stereo_Count	0
443369	Total_Formal_Charge	0
284024	Undefined_Atom_Stereo_Count	1
5708528	Hydrogen_Bond_Donor_Count	0
68901306	Exact_Mass	461.23145648
15721166	Rotatable_Bond_Count	1
71719928	TPSA	260
101508194	Defined_Bond_Stereo_Count	0
13	Mono_Isotopic_Weight	179.930033
102063302	Structure_Complexity	270
8730	Structure_Complexity	420
56964111	Undefined_Atom_Stereo_Count	0
60196380	Molecular_Weight	270.16
123558404	Structure_Complexity	88.1
16726873	Molecular_Weight	517.0
616236	Tautomer_Count	12
8998	Hydrogen_Bond_Acceptor_Count	4
129628761	Rotatable_Bond_Count	4
10813654	Defined_Atom_Stereo_Count	4
89223105	Defined_Atom_Stereo_Count	0
81923	Undefined_Atom_Stereo_Count	0
10654192	Isotope_Atom_Count	0
11630874	Mono_Isotopic_Weight	305.01580707
9810773	Undefined_Bond_Stereo_Count	0
117717939	Defined_Atom_Stereo_Count	1
23700091	Structure_Complexity	218
6918077	Non-hydrogen_Atom_Count	22
3410	TPSA	90.8
11198850	Non-hydrogen_Atom_Count	27
97815	Structure_Complexity	117
5281521	Total_Formal_Charge	0
71584419	Rotatable_Bond_Count	5
6553	Non-hydrogen_Atom_Count	5
88861581	XLogP3-AA	1.2
31202	TPSA	0
20314	Hydrogen_Bond_Acceptor_Count	3
44134533	Molecular_Weight	328.51
64965	Exact_Mass	413.03098
3400	XLogP3	3
134689739	Exact_Mass	532.07225596
23899	Hydrogen_Bond_Donor_Count	0
2795222	Total_Formal_Charge	0
825744	Molecular_Weight	338.4
14675	Defined_Atom_Stereo_Count	0
66214	Tautomer_Count	1
22160831	Structure_Complexity	113
13661	Total_Formal_Charge	0
43366	Rotatable_Bond_Count	0
327044	Defined_Bond_Stereo_Count	0
6056	Exact_Mass	135.104799419
57396150	Molecular_Weight	462.6
122077	Rotatable_Bond_Count	5
247818	Defined_Atom_Stereo_Count	0
316724	Exact_Mass	240.115029749
129866077	Covalent_Unit_Count	1
91266152	Molecular_Weight	94.15
51043	TPSA	0
70690049	Rotatable_Bond_Count	3
45086592	Mono_Isotopic_Weight	133.07389321
71450704	Total_Formal_Charge	0
13306877	Total_Formal_Charge	0
440623	Molecular_Weight	286.4
50077	Total_Formal_Charge	0
13163973	Isotope_Atom_Count	0
5803	Hydrogen_Bond_Donor_Count	2
48305	Total_Formal_Charge	0
53765848	Hydrogen_Bond_Donor_Count	0
36005	Undefined_Atom_Stereo_Count	0
121323963	Exact_Mass	112.052429494
25203153	Undefined_Atom_Stereo_Count	0
17755248	Undefined_Atom_Stereo_Count	0
5459844	Hydrogen_Bond_Donor_Count	1
5373729	Tautomer_Count	1
10405144	Non-hydrogen_Atom_Count	18
7320	Total_Formal_Charge	0
21075	Isotope_Atom_Count	0
86467	Structure_Complexity	466
524409	Hydrogen_Bond_Donor_Count	0
6444834	Isotope_Atom_Count	0
11126230	Covalent_Unit_Count	1
60121	XLogP3-AA	2.9
266934	Undefined_Bond_Stereo_Count	0
154461366	Non-hydrogen_Atom_Count	8
13632	Rotatable_Bond_Count	0
5850	Structure_Complexity	201
60196327	Isotope_Atom_Count	0
38910	Rotatable_Bond_Count	2
7923	Undefined_Atom_Stereo_Count	0
3290	Exact_Mass	312.16601995
9885626	Hydrogen_Bond_Acceptor_Count	5
129491	Covalent_Unit_Count	1
129317852	Isotope_Atom_Count	0
71057888	Defined_Atom_Stereo_Count	11
57394195	Exact_Mass	457.25294081
129675901	Defined_Bond_Stereo_Count	0
13316162	Undefined_Atom_Stereo_Count	0
55290736	Isotope_Atom_Count	0
11960529	Exact_Mass	244.13241115
54332589	Hydrogen_Bond_Donor_Count	0
2769	Structure_Complexity	581
140557163	Mono_Isotopic_Weight	94.078250319
11446296	Hydrogen_Bond_Donor_Count	2
68015385	Total_Formal_Charge	0
165360154	Rotatable_Bond_Count	11
10067787	Molecular_Weight	370.9
131874127	Hydrogen_Bond_Acceptor_Count	4
24848260	TPSA	54.1
7118	Isotope_Atom_Count	0
135415867	XLogP3-AA	4.4
50981	Total_Formal_Charge	0
18624859	Undefined_Atom_Stereo_Count	0
24865076	Covalent_Unit_Count	1
23083539	Defined_Atom_Stereo_Count	0
53456	Covalent_Unit_Count	1
70969	TPSA	26
3085023	Tautomer_Count	2
60	Exact_Mass	601.04750736
31268	Defined_Atom_Stereo_Count	0
64156	Exact_Mass	239.188529040
5461016	Undefined_Atom_Stereo_Count	0
13568406	Undefined_Atom_Stereo_Count	0
9914412	Hydrogen_Bond_Acceptor_Count	8
8373	Total_Formal_Charge	0
3246495	Total_Formal_Charge	0
12514389	Covalent_Unit_Count	1
2691	Mono_Isotopic_Weight	499.21793167
137349957	Molecular_Weight	885.4
1490119	Rotatable_Bond_Count	3
12830793	Undefined_Atom_Stereo_Count	0
13867124	Rotatable_Bond_Count	6
53316382	Covalent_Unit_Count	1
16264	Tautomer_Count	1
6450816	Undefined_Bond_Stereo_Count	0
8138	Isotope_Atom_Count	0
23663964	Isotope_Atom_Count	0
68947	Defined_Atom_Stereo_Count	6
756126	Hydrogen_Bond_Donor_Count	0
16329	Tautomer_Count	1
6035169	Covalent_Unit_Count	1
138694	Undefined_Bond_Stereo_Count	0
7656	Covalent_Unit_Count	1
101218360	Defined_Atom_Stereo_Count	0
23723027	Undefined_Bond_Stereo_Count	0
17244	Hydrogen_Bond_Donor_Count	0
15301053	Structure_Complexity	489
16760	Structure_Complexity	219
17754111	Structure_Complexity	225
94960	Tautomer_Count	12
5282131	Undefined_Atom_Stereo_Count	0
164550	Hydrogen_Bond_Acceptor_Count	5
4084	Hydrogen_Bond_Acceptor_Count	6
7098617	Structure_Complexity	382
94915	TPSA	60.9
3107	TPSA	113
92303	Covalent_Unit_Count	2
194338	Defined_Bond_Stereo_Count	0
18382	Hydrogen_Bond_Acceptor_Count	2
24096961	Structure_Complexity	457
19502	Exact_Mass	112.125200510
663	Structure_Complexity	130
56842796	Non-hydrogen_Atom_Count	19
23635314	Defined_Atom_Stereo_Count	0
521863	Total_Formal_Charge	0
89131	Structure_Complexity	320
6604087	Hydrogen_Bond_Acceptor_Count	9
4822	Rotatable_Bond_Count	0
13413802	Molecular_Weight	113.16
12692921	Defined_Atom_Stereo_Count	0
18622368	Non-hydrogen_Atom_Count	8
10154060	Defined_Atom_Stereo_Count	0
23082568	Covalent_Unit_Count	2
16738927	TPSA	132
81762	Rotatable_Bond_Count	3
413535	Covalent_Unit_Count	1
340	Covalent_Unit_Count	1
136721436	Hydrogen_Bond_Acceptor_Count	7
136340880	Molecular_Weight	108.10
65211	Molecular_Weight	443.6
53873	Hydrogen_Bond_Acceptor_Count	2
8341	Covalent_Unit_Count	1
67502	Structure_Complexity	95.2
14133354	Hydrogen_Bond_Donor_Count	0
11513733	Covalent_Unit_Count	1
67239	Hydrogen_Bond_Donor_Count	2
41386	Undefined_Atom_Stereo_Count	1
6917681	TPSA	44.4
6440459	Defined_Bond_Stereo_Count	1
20561716	Hydrogen_Bond_Acceptor_Count	3
5365049	Rotatable_Bond_Count	6
78738	Hydrogen_Bond_Acceptor_Count	3
119525	Defined_Atom_Stereo_Count	0
24769	Isotope_Atom_Count	0
71458921	XLogP3-AA	2.2
93032	TPSA	78.6
69333884	Mono_Isotopic_Weight	107.048347172
58970	Total_Formal_Charge	0
15197399	Hydrogen_Bond_Donor_Count	1
442530	Molecular_Weight	403.8
53643899	Structure_Complexity	146
6433266	Exact_Mass	372.28757437
12233	Rotatable_Bond_Count	2
123264207	Undefined_Bond_Stereo_Count	0
87187677	XLogP3-AA	1.2
522251	Defined_Bond_Stereo_Count	0
24848382	Covalent_Unit_Count	1
3085017	Isotope_Atom_Count	0
23657874	Defined_Bond_Stereo_Count	0
44430376	Exact_Mass	273.04373590
16051947	Non-hydrogen_Atom_Count	56
74089	Isotope_Atom_Count	0
69117541	Covalent_Unit_Count	1
5288600	Total_Formal_Charge	0
131632500	Non-hydrogen_Atom_Count	23
1792	Defined_Bond_Stereo_Count	0
441348	Isotope_Atom_Count	0
704481	Defined_Atom_Stereo_Count	2
129668601	Isotope_Atom_Count	0
59901542	Exact_Mass	19.0458011230
60196431	Non-hydrogen_Atom_Count	23
27197	Molecular_Weight	247.31
92043367	Structure_Complexity	151
121396	Structure_Complexity	227
522007	Tautomer_Count	1
62719	Mono_Isotopic_Weight	218.13382109
77888	Isotope_Atom_Count	0
2764876	TPSA	63.4
7665	XLogP3-AA	2.8
136041721	Molecular_Weight	301.69
10021783	XLogP3-AA	5.4
211468	Defined_Bond_Stereo_Count	0
374346	Defined_Bond_Stereo_Count	0
448043	Undefined_Bond_Stereo_Count	0
91696	Tautomer_Count	2
9031	Hydrogen_Bond_Acceptor_Count	1
11402147	Defined_Bond_Stereo_Count	0
44560911	Structure_Complexity	462
130537941	Rotatable_Bond_Count	4
19078026	Total_Formal_Charge	0
970648	Non-hydrogen_Atom_Count	23
11556910	Exact_Mass	391.06251792
11305985	Rotatable_Bond_Count	14
35898	Hydrogen_Bond_Acceptor_Count	3
135402338	Undefined_Atom_Stereo_Count	0
20055408	Undefined_Atom_Stereo_Count	0
77720	Exact_Mass	223.08445790
182677	Covalent_Unit_Count	1
443788	Undefined_Bond_Stereo_Count	0
57433782	Defined_Bond_Stereo_Count	0
53736	Covalent_Unit_Count	1
73333	Non-hydrogen_Atom_Count	29
19782729	TPSA	43.1
21336123	Isotope_Atom_Count	0
2734898	Hydrogen_Bond_Acceptor_Count	3
544629	Exact_Mass	99.068413911
155613706	Isotope_Atom_Count	0
91151945	Hydrogen_Bond_Acceptor_Count	11
41515	Hydrogen_Bond_Donor_Count	0
2737121	Undefined_Atom_Stereo_Count	0
5227	Hydrogen_Bond_Acceptor_Count	3
66321	Molecular_Weight	133.9
148135776	Structure_Complexity	121
12561	Covalent_Unit_Count	1
5122	Hydrogen_Bond_Acceptor_Count	3
5273759	Rotatable_Bond_Count	6
15190665	Rotatable_Bond_Count	0
12302675	Hydrogen_Bond_Acceptor_Count	11
6433198	Rotatable_Bond_Count	16
54688	Structure_Complexity	1190
139059561	Hydrogen_Bond_Acceptor_Count	6
53309	Hydrogen_Bond_Acceptor_Count	3
102452879	Covalent_Unit_Count	1
65345	Defined_Atom_Stereo_Count	9
23552425	TPSA	41.1
12248	Hydrogen_Bond_Acceptor_Count	1
5353897	Defined_Atom_Stereo_Count	0
135513267	Total_Formal_Charge	0
52999	Total_Formal_Charge	0
3816043	Total_Formal_Charge	0
16157	Total_Formal_Charge	0
23693089	Isotope_Atom_Count	0
836002	Hydrogen_Bond_Acceptor_Count	2
34049	Hydrogen_Bond_Donor_Count	2
86422	Hydrogen_Bond_Donor_Count	1
71172	Total_Formal_Charge	0
141407440	XLogP3-AA	0.9
474523	Defined_Bond_Stereo_Count	0
44120020	Non-hydrogen_Atom_Count	36
69990	Hydrogen_Bond_Acceptor_Count	1
22833317	Rotatable_Bond_Count	7
45282362	Undefined_Bond_Stereo_Count	0
2386	Total_Formal_Charge	2
55973	Rotatable_Bond_Count	0
6419708	Structure_Complexity	567
2344	Structure_Complexity	340
64929	Covalent_Unit_Count	1
129486	Structure_Complexity	474
5288606	Total_Formal_Charge	0
656743	Rotatable_Bond_Count	3
18711391	TPSA	0
102249560	Total_Formal_Charge	0
3611	Rotatable_Bond_Count	1
60196374	Hydrogen_Bond_Acceptor_Count	2
25014762	Molecular_Weight	446.5
70215286	Undefined_Atom_Stereo_Count	2
472812	Isotope_Atom_Count	0
53325997	Structure_Complexity	695
719044	Mono_Isotopic_Weight	217.09635999
36209	Exact_Mass	200.237824961
6914282	Structure_Complexity	798
8317	Total_Formal_Charge	0
15895902	Isotope_Atom_Count	0
89159	Covalent_Unit_Count	1
56680102	Mono_Isotopic_Weight	480.09039069
12507024	Undefined_Atom_Stereo_Count	1
13349549	Rotatable_Bond_Count	0
51256	TPSA	0
17942383	TPSA	28.7
54712148	Undefined_Atom_Stereo_Count	0
5287792	Isotope_Atom_Count	0
135121972	TPSA	96.4
53372724	Exact_Mass	526.25735413
11192129	Total_Formal_Charge	0
22939741	Defined_Atom_Stereo_Count	0
24848261	Isotope_Atom_Count	0
1331	Total_Formal_Charge	0
22636790	Rotatable_Bond_Count	3
9219	TPSA	28.7
58084	Tautomer_Count	1
54079804	Isotope_Atom_Count	0
26964	TPSA	148
15496999	Non-hydrogen_Atom_Count	7
139064747	Structure_Complexity	456
14202705	Hydrogen_Bond_Acceptor_Count	1
122738	Structure_Complexity	925
16136	Undefined_Atom_Stereo_Count	0
78281	Mono_Isotopic_Weight	156.98336413
10130337	Hydrogen_Bond_Acceptor_Count	3
89168339	Structure_Complexity	113
316724	Molecular_Weight	240.30
134694358	Defined_Atom_Stereo_Count	4
76957024	Hydrogen_Bond_Acceptor_Count	4
403	Covalent_Unit_Count	1
43991	Undefined_Atom_Stereo_Count	0
7818	Structure_Complexity	54.9
6030	Molecular_Weight	324.18
14222	Molecular_Weight	185.35
53373584	Hydrogen_Bond_Acceptor_Count	10
22099238	Hydrogen_Bond_Donor_Count	2
148821664	Structure_Complexity	127
12193680	Covalent_Unit_Count	1
10197668	Rotatable_Bond_Count	3
55278707	Mono_Isotopic_Weight	98.048012819
91810695	Total_Formal_Charge	0
67850	Exact_Mass	401.80256
447339	Isotope_Atom_Count	0
9832383	Non-hydrogen_Atom_Count	34
54401118	Mono_Isotopic_Weight	82.053098200
10347891	Total_Formal_Charge	0
81146	Exact_Mass	267.08954328
54676884	Undefined_Atom_Stereo_Count	2
7980	Defined_Bond_Stereo_Count	0
9892815	TPSA	123
12031310	Defined_Bond_Stereo_Count	0
22609888	Hydrogen_Bond_Donor_Count	0
96600	Hydrogen_Bond_Acceptor_Count	4
12002774	TPSA	17.8
5362456	Rotatable_Bond_Count	0
25059	Hydrogen_Bond_Acceptor_Count	2
2724054	Defined_Atom_Stereo_Count	0
11512	Defined_Atom_Stereo_Count	0
111026	Structure_Complexity	27.1
9555	Hydrogen_Bond_Acceptor_Count	21
163326	Covalent_Unit_Count	1
137554722	Defined_Bond_Stereo_Count	0
179334	Tautomer_Count	2
520366	TPSA	0
95864	Undefined_Bond_Stereo_Count	0
5804	Molecular_Weight	635.96
53920622	Mono_Isotopic_Weight	99.032028402
9604	Hydrogen_Bond_Donor_Count	0
4727	Covalent_Unit_Count	1
37274	Defined_Atom_Stereo_Count	0
57399426	Rotatable_Bond_Count	7
71339534	Molecular_Weight	472.7
40652	Non-hydrogen_Atom_Count	25
72331	Non-hydrogen_Atom_Count	38
139586083	Non-hydrogen_Atom_Count	77
21192690	Hydrogen_Bond_Donor_Count	1
70719	Undefined_Bond_Stereo_Count	0
8477	Defined_Atom_Stereo_Count	0
21493122	Hydrogen_Bond_Donor_Count	1
37049	Structure_Complexity	689
12218432	Undefined_Bond_Stereo_Count	0
16129576	TPSA	107
1549237	Defined_Atom_Stereo_Count	0
640543	Covalent_Unit_Count	1
24815434	Total_Formal_Charge	0
10974	Tautomer_Count	1
6919629	Defined_Bond_Stereo_Count	0
28961	Exact_Mass	73.016378338
4472	Exact_Mass	298.14297583
19710	Defined_Bond_Stereo_Count	0
37888437	Isotope_Atom_Count	0
3000241	Defined_Bond_Stereo_Count	0
43899	Undefined_Bond_Stereo_Count	0
123516214	Molecular_Weight	102.13
273032	Hydrogen_Bond_Acceptor_Count	4
9113	Non-hydrogen_Atom_Count	42
82650926	Covalent_Unit_Count	1
5884629	Rotatable_Bond_Count	13
11387	Undefined_Bond_Stereo_Count	0
156212	Defined_Bond_Stereo_Count	0
11000531	Mono_Isotopic_Weight	283.08445790
17845829	Total_Formal_Charge	0
3080646	Hydrogen_Bond_Donor_Count	2
11868	Undefined_Atom_Stereo_Count	0
71237	Undefined_Atom_Stereo_Count	0
10350481	Non-hydrogen_Atom_Count	58
636398	Hydrogen_Bond_Acceptor_Count	7
10654176	Undefined_Atom_Stereo_Count	1
4196	Covalent_Unit_Count	1
142883	Hydrogen_Bond_Donor_Count	0
71316600	Isotope_Atom_Count	0
23674215	Hydrogen_Bond_Donor_Count	1
5280906	Covalent_Unit_Count	1
20234581	Structure_Complexity	51.9
7267	XLogP3	2.3
21336418	Hydrogen_Bond_Donor_Count	0
838267	Isotope_Atom_Count	0
156071492	Structure_Complexity	131
7015680	Mono_Isotopic_Weight	111.104799419
6437064	Non-hydrogen_Atom_Count	50
23668195	Isotope_Atom_Count	0
1801	XLogP3	0.8
9917021	Isotope_Atom_Count	0
10011883	Non-hydrogen_Atom_Count	8
12242918	Mono_Isotopic_Weight	24.064197125
110839	Hydrogen_Bond_Acceptor_Count	3
2881	Undefined_Atom_Stereo_Count	0
560193	Undefined_Bond_Stereo_Count	0
703965	Mono_Isotopic_Weight	218.05138412
3058737	Non-hydrogen_Atom_Count	39
53485229	Undefined_Bond_Stereo_Count	0
9964065	Total_Formal_Charge	0
41448	Mono_Isotopic_Weight	268.07355886
56842993	Total_Formal_Charge	0
135598760	Hydrogen_Bond_Donor_Count	2
5284592	Exact_Mass	372.26644501
126968609	Hydrogen_Bond_Acceptor_Count	5
12591596	Defined_Bond_Stereo_Count	0
16536	Structure_Complexity	179
162344865	Mono_Isotopic_Weight	532.21105539
7712	Hydrogen_Bond_Acceptor_Count	2
25131330	Hydrogen_Bond_Donor_Count	1
23545756	Structure_Complexity	78.1
12082259	Total_Formal_Charge	0
54152337	Mono_Isotopic_Weight	358.1183161
45410	Non-hydrogen_Atom_Count	19
53456	Mono_Isotopic_Weight	249.07495584
28207	Tautomer_Count	3
54180637	Isotope_Atom_Count	0
5902	XLogP3-AA	3.9
519726	Molecular_Weight	111.15
193168	Undefined_Atom_Stereo_Count	0
5794	Mono_Isotopic_Weight	338.20932405
5280881	Exact_Mass	334.21440943
468	TPSA	113
19816937	Hydrogen_Bond_Donor_Count	2
12268621	Undefined_Bond_Stereo_Count	0
118219535	Covalent_Unit_Count	1
72941511	Hydrogen_Bond_Donor_Count	8
21958	Undefined_Atom_Stereo_Count	0
44224133	Hydrogen_Bond_Acceptor_Count	4
5311054	Defined_Bond_Stereo_Count	0
123117	Isotope_Atom_Count	0
124224930	TPSA	195
21353681	Covalent_Unit_Count	1
13792373	Hydrogen_Bond_Acceptor_Count	2
150986	Covalent_Unit_Count	1
23354329	Undefined_Atom_Stereo_Count	0
67431	Undefined_Bond_Stereo_Count	0
20590622	Undefined_Bond_Stereo_Count	0
148708	Exact_Mass	258.98441
81472	XLogP3-AA	0.6
54303301	Hydrogen_Bond_Donor_Count	0
135556680	Structure_Complexity	119
5326751	Molecular_Weight	568.3
11443	Exact_Mass	174.042927438
12389634	Exact_Mass	94.078250319
7654	Structure_Complexity	137
7247	XLogP3-AA	3
3022	Defined_Bond_Stereo_Count	0
155970341	Structure_Complexity	1680
192706	Hydrogen_Bond_Donor_Count	1
45266912	Non-hydrogen_Atom_Count	39
133655777	Isotope_Atom_Count	0
81466	Defined_Atom_Stereo_Count	0
40466862	Hydrogen_Bond_Acceptor_Count	6
56962313	Undefined_Atom_Stereo_Count	0
130509102	TPSA	56
5311067	Rotatable_Bond_Count	2
8210	XLogP3	1.9
2733673	Undefined_Bond_Stereo_Count	0
11729	Defined_Atom_Stereo_Count	0
46173707	Covalent_Unit_Count	1
90728924	Defined_Bond_Stereo_Count	0
53172	Undefined_Bond_Stereo_Count	0
28523	Total_Formal_Charge	0
441277	Isotope_Atom_Count	0
20226552	Exact_Mass	112.027277375
8254	Rotatable_Bond_Count	0
46880369	Undefined_Atom_Stereo_Count	0
129628281	Hydrogen_Bond_Acceptor_Count	26
3400822	Undefined_Atom_Stereo_Count	0
57609	Non-hydrogen_Atom_Count	28
69571381	Defined_Bond_Stereo_Count	0
11548000	Rotatable_Bond_Count	12
89741632	Defined_Bond_Stereo_Count	0
64502	Undefined_Atom_Stereo_Count	0
6918788	Molecular_Weight	596.4
11865	Mono_Isotopic_Weight	113.011292958
142739236	Isotope_Atom_Count	0
60663	Tautomer_Count	2
13140652	Defined_Bond_Stereo_Count	0
53465	Defined_Bond_Stereo_Count	0
21328181	Hydrogen_Bond_Acceptor_Count	3
36573	Isotope_Atom_Count	0
62416539	Exact_Mass	110.084398327
93004	Non-hydrogen_Atom_Count	12
85141	Mono_Isotopic_Weight	185.96803
134825353	Defined_Bond_Stereo_Count	0
16039021	Defined_Bond_Stereo_Count	0
3092	Mono_Isotopic_Weight	225.03857033
107800	Rotatable_Bond_Count	7
6042	Mono_Isotopic_Weight	300.0811600
13524524	Hydrogen_Bond_Donor_Count	0
3195	Defined_Atom_Stereo_Count	0
96251	Mono_Isotopic_Weight	244.088815002
5288393	Covalent_Unit_Count	1
145744	Tautomer_Count	2
63786	Isotope_Atom_Count	0
98887	Undefined_Bond_Stereo_Count	0
135398560	Defined_Bond_Stereo_Count	0
76008	Defined_Bond_Stereo_Count	0
37250	Molecular_Weight	360.9
9984441	Defined_Atom_Stereo_Count	3
53346496	Defined_Bond_Stereo_Count	0
687034	Covalent_Unit_Count	1
153270	XLogP3-AA	0.9
67486	Mono_Isotopic_Weight	168.068748264
11564168	Non-hydrogen_Atom_Count	62
57131009	TPSA	9.2
5541	Isotope_Atom_Count	0
38286	Tautomer_Count	2
134479	Molecular_Weight	141.21
18555	Tautomer_Count	1
96344	Hydrogen_Bond_Acceptor_Count	3
12560816	Undefined_Atom_Stereo_Count	0
65974	Covalent_Unit_Count	1
14537	Rotatable_Bond_Count	0
79008	Isotope_Atom_Count	0
135419182	Non-hydrogen_Atom_Count	33
643981	Defined_Atom_Stereo_Count	8
151404	TPSA	40.9
656911	Tautomer_Count	3
119033	Rotatable_Bond_Count	4
8617	Structure_Complexity	230
556487	Isotope_Atom_Count	0
146571	TPSA	111
6515535	Isotope_Atom_Count	0
10451635	Rotatable_Bond_Count	1
35970	Undefined_Atom_Stereo_Count	0
12024	XLogP3	2.3
28343	Undefined_Bond_Stereo_Count	0
2752445	Undefined_Atom_Stereo_Count	0
134008	Hydrogen_Bond_Acceptor_Count	6
3080904	Isotope_Atom_Count	0
660	Defined_Bond_Stereo_Count	0
56069	Non-hydrogen_Atom_Count	29
3385	Mono_Isotopic_Weight	130.01785550
5282198	Molecular_Weight	266.4
49865732	TPSA	87.9
54719543	Mono_Isotopic_Weight	589.37404364
129316724	Isotope_Atom_Count	3
125183303	Structure_Complexity	1830
67569543	Undefined_Atom_Stereo_Count	0
100969894	Exact_Mass	116.083729621
9839190	XLogP3-AA	1.1
8797	Defined_Bond_Stereo_Count	0
70278898	Exact_Mass	398.21180428
22954661	Defined_Atom_Stereo_Count	0
9832750	Defined_Atom_Stereo_Count	19
25008940	Defined_Atom_Stereo_Count	2
71210615	Covalent_Unit_Count	1
159157	TPSA	89
77990	Structure_Complexity	402
62556	Mono_Isotopic_Weight	352.11581759
133124921	Exact_Mass	925.50349992
5284506	Non-hydrogen_Atom_Count	13
156212	Mono_Isotopic_Weight	310.930761
521151	XLogP3-AA	0.3
3356885	Covalent_Unit_Count	3
11957463	Defined_Bond_Stereo_Count	0
3082781	Hydrogen_Bond_Acceptor_Count	2
72075	TPSA	6.5
17571562	Rotatable_Bond_Count	3
522731	Defined_Atom_Stereo_Count	0
4177	XLogP3-AA	3.7
161765303	Isotope_Atom_Count	0
170563	Molecular_Weight	460.7
4135	Isotope_Atom_Count	0
10645	Total_Formal_Charge	0
24875372	Isotope_Atom_Count	0
135554441	Isotope_Atom_Count	0
12358970	Undefined_Atom_Stereo_Count	0
55289163	Mono_Isotopic_Weight	114.079312947
153722581	Isotope_Atom_Count	0
11908386	Defined_Atom_Stereo_Count	10
2721	Undefined_Atom_Stereo_Count	0
136500	Mono_Isotopic_Weight	99.01427034
3776755	Structure_Complexity	144
82736	Mono_Isotopic_Weight	96.068748264
5282822	Non-hydrogen_Atom_Count	20
5461103	Hydrogen_Bond_Acceptor_Count	5
20470942	XLogP3-AA	0.4
73238	Defined_Bond_Stereo_Count	0
18048	TPSA	20.2
4347	Undefined_Atom_Stereo_Count	0
6973628	XLogP3-AA	1.6
20118532	XLogP3-AA	0.7
444655	Exact_Mass	121.076573296
5813717	Undefined_Atom_Stereo_Count	0
522251	Isotope_Atom_Count	0
67548	Tautomer_Count	1
21863274	Hydrogen_Bond_Acceptor_Count	5
153442	Mono_Isotopic_Weight	275.9721158
91667825	Defined_Bond_Stereo_Count	0
6399650	Covalent_Unit_Count	1
441477	Mono_Isotopic_Weight	179.07937252
11350701	Isotope_Atom_Count	0
428	Hydrogen_Bond_Acceptor_Count	2
20230230	Undefined_Atom_Stereo_Count	0
2771917	Defined_Bond_Stereo_Count	0
477	Rotatable_Bond_Count	8
68953	Rotatable_Bond_Count	1
2562	Undefined_Bond_Stereo_Count	0
49863385	Non-hydrogen_Atom_Count	47
121207282	Structure_Complexity	155
10482134	Defined_Atom_Stereo_Count	0
53411707	Defined_Bond_Stereo_Count	0
53710320	Non-hydrogen_Atom_Count	7
20752353	Undefined_Bond_Stereo_Count	0
135398737	Non-hydrogen_Atom_Count	23
12785	XLogP3	1.7
550179	Undefined_Atom_Stereo_Count	0
45788558	Rotatable_Bond_Count	0
18615	Structure_Complexity	62.7
91224654	Covalent_Unit_Count	1
72200721	Undefined_Atom_Stereo_Count	0
520108	Tautomer_Count	2
91824751	Hydrogen_Bond_Acceptor_Count	7
6440178	XLogP3-AA	2
72200672	Mono_Isotopic_Weight	491.02763
101643292	Exact_Mass	523.88944278
56955281	XLogP3-AA	3.6
42610	Structure_Complexity	521
20262675	Structure_Complexity	131
21124389	Defined_Bond_Stereo_Count	0
8473	Isotope_Atom_Count	0
47491	Structure_Complexity	514
12304613	Undefined_Bond_Stereo_Count	0
129010290	Total_Formal_Charge	0
694728	Defined_Atom_Stereo_Count	0
6420130	Isotope_Atom_Count	0
446816	Defined_Atom_Stereo_Count	0
635911	Non-hydrogen_Atom_Count	43
19080487	Defined_Atom_Stereo_Count	0
24785025	Defined_Atom_Stereo_Count	0
154478098	Rotatable_Bond_Count	0
71583269	Undefined_Bond_Stereo_Count	0
445715	Isotope_Atom_Count	0
59772010	Undefined_Atom_Stereo_Count	0
13282	Molecular_Weight	250.19
5257437	TPSA	0
2714	Isotope_Atom_Count	0
123612613	Total_Formal_Charge	0
9815689	TPSA	50.1
5491930	Covalent_Unit_Count	1
5311169	Hydrogen_Bond_Donor_Count	16
964856	XLogP3-AA	4
31645	XLogP3	1.7
91027156	Covalent_Unit_Count	1
57433782	Isotope_Atom_Count	0
60985	TPSA	26.3
25058167	Defined_Bond_Stereo_Count	0
6918540	Molecular_Weight	389.6
3068840	Defined_Atom_Stereo_Count	0
71300725	Defined_Atom_Stereo_Count	0
71562042	Rotatable_Bond_Count	5
65429	Hydrogen_Bond_Acceptor_Count	7
1252769	Undefined_Atom_Stereo_Count	0
53796209	Exact_Mass	102.068079557
67296898	Mono_Isotopic_Weight	114.068079557
133562729	Mono_Isotopic_Weight	1084.47265329
79488	Hydrogen_Bond_Donor_Count	0
53707229	Hydrogen_Bond_Donor_Count	0
12338093	Defined_Bond_Stereo_Count	0
21330	Undefined_Bond_Stereo_Count	0
58270057	Isotope_Atom_Count	0
43471	Defined_Bond_Stereo_Count	0
11934	Isotope_Atom_Count	0
10658	TPSA	39.4
21519580	XLogP3-AA	0.2
20626699	Rotatable_Bond_Count	2
18923028	Molecular_Weight	99.13
829795	Hydrogen_Bond_Donor_Count	2
3729	Non-hydrogen_Atom_Count	14
456161	Rotatable_Bond_Count	9
959571	Hydrogen_Bond_Acceptor_Count	5
96277	Exact_Mass	200.0240218
6251	Defined_Bond_Stereo_Count	0
101671175	Defined_Atom_Stereo_Count	6
135920954	Total_Formal_Charge	0
157692	Defined_Bond_Stereo_Count	0
20653386	Mono_Isotopic_Weight	108.057514874
92253	Undefined_Atom_Stereo_Count	0
9571109	Defined_Bond_Stereo_Count	1
4796	Covalent_Unit_Count	1
19380118	TPSA	13.1
70150	Covalent_Unit_Count	1
6184667	Tautomer_Count	1
88976	Defined_Bond_Stereo_Count	0
9578507	TPSA	155
1535935	Exact_Mass	132.05349212
75987414	Defined_Bond_Stereo_Count	0
10103148	Hydrogen_Bond_Donor_Count	1
4136	Structure_Complexity	129
361762	Structure_Complexity	128
85610	Rotatable_Bond_Count	1
2733749	Undefined_Atom_Stereo_Count	0
72098	Defined_Bond_Stereo_Count	0
89077	Undefined_Atom_Stereo_Count	0
22169421	Exact_Mass	309.151749610
72196	Defined_Bond_Stereo_Count	0
13867124	Exact_Mass	288.183778013
142401	Mono_Isotopic_Weight	92.026214747
18330928	Defined_Atom_Stereo_Count	0
91505	Isotope_Atom_Count	0
659064	Undefined_Atom_Stereo_Count	1
154095	Non-hydrogen_Atom_Count	37
4570	Structure_Complexity	555
9920369	Structure_Complexity	109
134160331	TPSA	21.7
6700	Tautomer_Count	5
21864560	Molecular_Weight	1213.4
79414	Defined_Atom_Stereo_Count	0
6887	Non-hydrogen_Atom_Count	15
7812	Defined_Bond_Stereo_Count	0
48289	Isotope_Atom_Count	0
20307232	Defined_Bond_Stereo_Count	0
45784923	Exact_Mass	605.20500239
5222465	Exact_Mass	110.03437374
13396	Molecular_Weight	118.14
57473238	Hydrogen_Bond_Donor_Count	1
76216	Defined_Atom_Stereo_Count	0
141	Non-hydrogen_Atom_Count	34
146013258	Covalent_Unit_Count	1
594558	Hydrogen_Bond_Donor_Count	2
520667	Mono_Isotopic_Weight	100.052429494
3980	Structure_Complexity	1750
21047	Isotope_Atom_Count	0
87898	TPSA	125
71300392	Hydrogen_Bond_Donor_Count	0
2795222	XLogP3	0.3
10087998	Non-hydrogen_Atom_Count	24
23080901	Hydrogen_Bond_Donor_Count	0
784510	Covalent_Unit_Count	1
61672	Undefined_Bond_Stereo_Count	0
11641	Undefined_Bond_Stereo_Count	0
85356809	Molecular_Weight	116.11
8416	Total_Formal_Charge	0
129672477	Exact_Mass	518.945874
77611871	Rotatable_Bond_Count	1
130368	Covalent_Unit_Count	1
80790	Mono_Isotopic_Weight	164.120115130
1486	Non-hydrogen_Atom_Count	13
23262319	Isotope_Atom_Count	0
25195346	Non-hydrogen_Atom_Count	35
16124208	Total_Formal_Charge	0
48011	Exact_Mass	598.2266172
6253	TPSA	129
25563891	Undefined_Bond_Stereo_Count	0
24483	XLogP3	5.7
2734217	Total_Formal_Charge	0
535857	Hydrogen_Bond_Acceptor_Count	3
5742832	Defined_Atom_Stereo_Count	2
11177	Covalent_Unit_Count	3
2168	Rotatable_Bond_Count	6
4257	Rotatable_Bond_Count	4
71460924	Total_Formal_Charge	0
1235	Undefined_Bond_Stereo_Count	0
64813	Hydrogen_Bond_Donor_Count	0
82993	Isotope_Atom_Count	0
90771502	Defined_Atom_Stereo_Count	0
2777208	Covalent_Unit_Count	1
20441	Mono_Isotopic_Weight	147.05315777
18428533	Covalent_Unit_Count	1
1549062	Defined_Atom_Stereo_Count	0
231971	Defined_Bond_Stereo_Count	0
129652530	Non-hydrogen_Atom_Count	25
24901285	Molecular_Weight	546.5
121207368	Rotatable_Bond_Count	0
40973	Total_Formal_Charge	0
5459213	Non-hydrogen_Atom_Count	54
3613546	Covalent_Unit_Count	3
146684433	Total_Formal_Charge	0
3996620	Exact_Mass	231.07696722
40846	Undefined_Bond_Stereo_Count	0
7026090	Isotope_Atom_Count	0
7483	Molecular_Weight	152.15
122074	Rotatable_Bond_Count	0
519726	TPSA	41.6
4205687	Structure_Complexity	57.5
86209	Isotope_Atom_Count	0
9873	Hydrogen_Bond_Donor_Count	0
59809	Undefined_Atom_Stereo_Count	0
22082547	Hydrogen_Bond_Donor_Count	0
101399329	Hydrogen_Bond_Acceptor_Count	2
14781907	Undefined_Bond_Stereo_Count	0
8993	Rotatable_Bond_Count	6
456255	Exact_Mass	462.07801004
9568628	Undefined_Atom_Stereo_Count	0
14890212	Undefined_Bond_Stereo_Count	0
80790	Non-hydrogen_Atom_Count	12
1803	Mono_Isotopic_Weight	243.08552052
134692189	Undefined_Atom_Stereo_Count	6
16750094	Structure_Complexity	543
68028	Hydrogen_Bond_Acceptor_Count	4
57336812	Rotatable_Bond_Count	5
7987	Covalent_Unit_Count	1
5297	TPSA	336
5319	Undefined_Bond_Stereo_Count	0
535634	Defined_Bond_Stereo_Count	0
802301	Defined_Atom_Stereo_Count	0
65684	Structure_Complexity	241
54484	Exact_Mass	292.17869263
10485	Undefined_Bond_Stereo_Count	0
94377	Hydrogen_Bond_Donor_Count	0
134688154	Total_Formal_Charge	0
24823	Hydrogen_Bond_Donor_Count	0
12194	Molecular_Weight	116.16
57537	Isotope_Atom_Count	0
25209	Isotope_Atom_Count	0
11865435	Total_Formal_Charge	0
69480	Hydrogen_Bond_Donor_Count	0
160718893	Non-hydrogen_Atom_Count	8
222528	Undefined_Atom_Stereo_Count	0
54484769	Total_Formal_Charge	0
16723	Molecular_Weight	160.09
299882	Rotatable_Bond_Count	0
22243070	Total_Formal_Charge	0
667468	Undefined_Bond_Stereo_Count	0
111290	Isotope_Atom_Count	0
44443935	Undefined_Bond_Stereo_Count	0
7451	Rotatable_Bond_Count	2
4770	Undefined_Bond_Stereo_Count	0
16957	Undefined_Atom_Stereo_Count	0
123247088	Hydrogen_Bond_Donor_Count	0
78759283	Isotope_Atom_Count	0
8722	TPSA	72.7
13068	Exact_Mass	192.093900383
46193082	Hydrogen_Bond_Acceptor_Count	0
14647	Undefined_Bond_Stereo_Count	0
76921	Non-hydrogen_Atom_Count	12
4744	Undefined_Bond_Stereo_Count	0
79919	Total_Formal_Charge	0
307975	Hydrogen_Bond_Donor_Count	1
5458165	Rotatable_Bond_Count	6
129846269	Hydrogen_Bond_Donor_Count	1
280	Isotope_Atom_Count	0
21262	Total_Formal_Charge	0
40753	Hydrogen_Bond_Acceptor_Count	4
16779	Non-hydrogen_Atom_Count	22
82162	Structure_Complexity	190
67242631	Structure_Complexity	161
24839546	Mono_Isotopic_Weight	420.13550766
24802149	Exact_Mass	180.06338810
121749	Total_Formal_Charge	0
6433402	TPSA	34.1
10448	Structure_Complexity	23.5
70811	Undefined_Bond_Stereo_Count	0
22561495	TPSA	74.8
21910000	Total_Formal_Charge	0
117791208	Exact_Mass	102.079312947
94459	TPSA	28.2
78860	Total_Formal_Charge	0
159199	Undefined_Atom_Stereo_Count	0
12566815	Non-hydrogen_Atom_Count	16
86811257	Exact_Mass	114.068079557
80792	Hydrogen_Bond_Acceptor_Count	2
442636	Undefined_Atom_Stereo_Count	0
237546	Total_Formal_Charge	0
5280497	XLogP3-AA	3.4
17348	Total_Formal_Charge	0
22049997	Exact_Mass	476.05471
572565	TPSA	57.4
7924	Isotope_Atom_Count	0
21872090	Total_Formal_Charge	0
57448808	Hydrogen_Bond_Acceptor_Count	2
2775	Rotatable_Bond_Count	2
14078849	XLogP3-AA	4
2356	Structure_Complexity	458
9850056	Defined_Bond_Stereo_Count	0
89518758	Total_Formal_Charge	0
20055560	Undefined_Bond_Stereo_Count	0
75987092	Rotatable_Bond_Count	3
21608018	Isotope_Atom_Count	0
16049448	Covalent_Unit_Count	1
10685477	Exact_Mass	298.12050905
196672	Isotope_Atom_Count	0
49867832	Undefined_Bond_Stereo_Count	0
89364481	Non-hydrogen_Atom_Count	8
23724935	Structure_Complexity	447
42963	Mono_Isotopic_Weight	294.12157168
65938	TPSA	229
16220011	Hydrogen_Bond_Donor_Count	1
198136	Non-hydrogen_Atom_Count	25
138059742	Isotope_Atom_Count	0
9727	Hydrogen_Bond_Donor_Count	2
15294	Undefined_Atom_Stereo_Count	0
92822	TPSA	49.7
40510	Tautomer_Count	1
68374	Defined_Atom_Stereo_Count	0
20624744	Total_Formal_Charge	0
10997046	Tautomer_Count	1
196639	Covalent_Unit_Count	1
93303	Defined_Bond_Stereo_Count	0
5283335	Defined_Atom_Stereo_Count	0
7456	Structure_Complexity	136
14968895	Defined_Atom_Stereo_Count	0
12894	Exact_Mass	267.06776246
446094	TPSA	42.5
66195	Covalent_Unit_Count	1
8606	Undefined_Atom_Stereo_Count	2
126968495	Defined_Atom_Stereo_Count	19
146157736	Covalent_Unit_Count	1
3085168	Defined_Atom_Stereo_Count	0
114794	Hydrogen_Bond_Acceptor_Count	1
11450633	Defined_Bond_Stereo_Count	0
97727	Total_Formal_Charge	0
17865	Structure_Complexity	214
20060494	Undefined_Bond_Stereo_Count	0
20693611	Rotatable_Bond_Count	0
46195832	Tautomer_Count	308
136237316	Mono_Isotopic_Weight	494.25292020
13463348	Total_Formal_Charge	0
9966051	Mono_Isotopic_Weight	298.15036988
13140652	Isotope_Atom_Count	0
14532580	Non-hydrogen_Atom_Count	8
11553983	Rotatable_Bond_Count	5
12198109	Undefined_Bond_Stereo_Count	0
642799	TPSA	12.9
99764	Rotatable_Bond_Count	0
6452419	Covalent_Unit_Count	1
4560140	Defined_Atom_Stereo_Count	0
26136	XLogP3-AA	1.7
74859	Undefined_Atom_Stereo_Count	0
91895876	Undefined_Bond_Stereo_Count	0
5323606	Structure_Complexity	102
84589	Undefined_Bond_Stereo_Count	0
9793773	Defined_Bond_Stereo_Count	0
22380788	Exact_Mass	111.032028402
88941292	Undefined_Atom_Stereo_Count	0
4903	Undefined_Bond_Stereo_Count	0
60196406	Hydrogen_Bond_Donor_Count	3
59059978	Defined_Bond_Stereo_Count	0
20392	Isotope_Atom_Count	0
146157396	Rotatable_Bond_Count	17
5464343	Defined_Bond_Stereo_Count	0
21659832	Molecular_Weight	117.10
3783514	Hydrogen_Bond_Acceptor_Count	3
71935	Mono_Isotopic_Weight	291.162314293
6009	Structure_Complexity	343
10569	Isotope_Atom_Count	0
35781	Defined_Atom_Stereo_Count	0
129694674	Exact_Mass	166.943465
95299	Defined_Bond_Stereo_Count	0
6450531	Hydrogen_Bond_Donor_Count	3
134250232	XLogP3-AA	0.6
3274	Isotope_Atom_Count	0
54058352	Mono_Isotopic_Weight	115.063328530
142962972	Exact_Mass	110.073164938
2691	XLogP3-AA	0.5
133008	Hydrogen_Bond_Acceptor_Count	3
17904805	TPSA	40.5
72665	Covalent_Unit_Count	1
64822	Exact_Mass	243.0298355
79608	Defined_Bond_Stereo_Count	0
527568	XLogP3-AA	2.5
74040195	Exact_Mass	97.052763847
56843898	Defined_Atom_Stereo_Count	0
134692587	Exact_Mass	861.50858530
10899	Hydrogen_Bond_Donor_Count	0
12127	Tautomer_Count	3
10290728	Total_Formal_Charge	0
26117	XLogP3	1.2
9327	Non-hydrogen_Atom_Count	46
123716071	Exact_Mass	110.073164938
13990016	Defined_Bond_Stereo_Count	0
23724509	Mono_Isotopic_Weight	1021.47316054
3083585	Isotope_Atom_Count	0
22369295	Molecular_Weight	114.17
356101	Mono_Isotopic_Weight	113.058911855
7616	Molecular_Weight	143.27
53631403	Hydrogen_Bond_Acceptor_Count	2
12539503	TPSA	0
12953697	Mono_Isotopic_Weight	85.089149355
590845	Mono_Isotopic_Weight	277.10266837
25167947	Total_Formal_Charge	0
9447938	Molecular_Weight	283.28
25160	TPSA	46.6
4369034	TPSA	221
22918656	Undefined_Atom_Stereo_Count	0
422052	Undefined_Bond_Stereo_Count	0
71625272	Structure_Complexity	464
10046567	Non-hydrogen_Atom_Count	29
59859430	Defined_Bond_Stereo_Count	0
19774	Undefined_Bond_Stereo_Count	0
15266847	Molecular_Weight	113.11
14197	Non-hydrogen_Atom_Count	27
153816117	Mono_Isotopic_Weight	113.047678466
82839	Isotope_Atom_Count	0
155008	Exact_Mass	556.13694696
62545	Defined_Bond_Stereo_Count	0
489129	Exact_Mass	348.17616766
3927	Structure_Complexity	511
35726	Undefined_Atom_Stereo_Count	0
9995043	Undefined_Atom_Stereo_Count	0
89040398	Undefined_Bond_Stereo_Count	0
11990755	Rotatable_Bond_Count	4
14920524	Total_Formal_Charge	0
644213	Molecular_Weight	276.67
131535	Molecular_Weight	623.7
77996	Total_Formal_Charge	0
10079874	Covalent_Unit_Count	1
9530	Molecular_Weight	204.24
12664944	Mono_Isotopic_Weight	100.088815002
1701	Molecular_Weight	203.24
12746	Hydrogen_Bond_Donor_Count	0
25171607	Undefined_Atom_Stereo_Count	0
453	Isotope_Atom_Count	0
14231	Undefined_Atom_Stereo_Count	1
88534961	Covalent_Unit_Count	1
483559	Non-hydrogen_Atom_Count	30
114523	Tautomer_Count	1
4628	Mono_Isotopic_Weight	261.06372245
25023858	XLogP3-AA	4
20784398	XLogP3-AA	1.8
53766125	Isotope_Atom_Count	0
142906448	Non-hydrogen_Atom_Count	8
360129	TPSA	139
24006	Structure_Complexity	70.8
2825062	XLogP3-AA	3.5
135020	Rotatable_Bond_Count	2
11815	Undefined_Atom_Stereo_Count	0
177843	Defined_Atom_Stereo_Count	0
20499147	Hydrogen_Bond_Acceptor_Count	2
45040320	Defined_Bond_Stereo_Count	0
15202944	Molecular_Weight	73.09
3011721	Undefined_Bond_Stereo_Count	0
3901	Exact_Mass	566.36073931
632910	Defined_Atom_Stereo_Count	0
439201	Exact_Mass	1059.56139820
135398593	Non-hydrogen_Atom_Count	18
86278352	Tautomer_Count	12
3518	XLogP3-AA	0.5
427	Undefined_Atom_Stereo_Count	2
3418	Molecular_Weight	218.10
16692	Molecular_Weight	403.7
54686350	Molecular_Weight	241.28
21109	XLogP3-AA	1
5354626	Tautomer_Count	4
101666842	Exact_Mass	254.105527694
118855904	Rotatable_Bond_Count	1
1514290	Defined_Atom_Stereo_Count	0
7568	Molecular_Weight	260.20
75082	Non-hydrogen_Atom_Count	6
129364810	Isotope_Atom_Count	0
15990796	Isotope_Atom_Count	0
123166	Hydrogen_Bond_Acceptor_Count	0
1621	Structure_Complexity	230
154202106	Hydrogen_Bond_Acceptor_Count	4
71076901	Undefined_Bond_Stereo_Count	0
63141	Defined_Bond_Stereo_Count	0
80782	Molecular_Weight	171.62
10931393	Hydrogen_Bond_Acceptor_Count	2
7721	Total_Formal_Charge	0
3694035	Covalent_Unit_Count	1
446113	Total_Formal_Charge	0
10221	Molecular_Weight	188.18
24243	Undefined_Bond_Stereo_Count	0
98231	Covalent_Unit_Count	1
123070	Structure_Complexity	0
4104621	Hydrogen_Bond_Acceptor_Count	4
4808	Defined_Bond_Stereo_Count	0
37207	Non-hydrogen_Atom_Count	15
5281249	Total_Formal_Charge	0
736366	Hydrogen_Bond_Donor_Count	2
13885286	Structure_Complexity	318
99807	Total_Formal_Charge	0
173730	Molecular_Weight	115.05
89741632	Molecular_Weight	416.5
82441	Structure_Complexity	385
176595	TPSA	154
19883311	Molecular_Weight	102.14
44181920	Undefined_Atom_Stereo_Count	1
68991415	Structure_Complexity	74.5
15636950	Exact_Mass	100.100048391
94834	Non-hydrogen_Atom_Count	13
74040195	TPSA	20.1
15758	Rotatable_Bond_Count	0
129856110	Structure_Complexity	665
72199539	XLogP3-AA	4.4
21947198	Molecular_Weight	195.15
10675	Mono_Isotopic_Weight	398.1509537
89576913	Defined_Atom_Stereo_Count	0
57438703	Molecular_Weight	116.04
18779169	Molecular_Weight	112.13
13807316	Isotope_Atom_Count	0
733076	Undefined_Atom_Stereo_Count	0
15084875	Defined_Bond_Stereo_Count	0
124005380	XLogP3-AA	3.1
669570	Hydrogen_Bond_Acceptor_Count	3
136219154	Molecular_Weight	380.9
170214	Non-hydrogen_Atom_Count	12
44560807	Covalent_Unit_Count	1
11768551	Exact_Mass	116.083729621
102025584	Defined_Atom_Stereo_Count	10
11624518	Hydrogen_Bond_Acceptor_Count	3
3917956	Molecular_Weight	201.00
15132	Isotope_Atom_Count	0
62432	Molecular_Weight	233.27
53867	Isotope_Atom_Count	0
11007859	Defined_Atom_Stereo_Count	0
7811	Molecular_Weight	124.21
44578536	Exact_Mass	318.15929460
21718305	Exact_Mass	113.084063974
61968	Hydrogen_Bond_Donor_Count	1
6158	Covalent_Unit_Count	1
44452442	XLogP3-AA	4.5
24884488	Defined_Bond_Stereo_Count	0
75879	Structure_Complexity	516
12462026	Defined_Bond_Stereo_Count	0
10072851	Structure_Complexity	731
23165199	Defined_Bond_Stereo_Count	0
444853	Mono_Isotopic_Weight	460.20971797
49853406	XLogP3-AA	1.7
60203	Defined_Atom_Stereo_Count	0
1110	Rotatable_Bond_Count	3
1189	Non-hydrogen_Atom_Count	20
5284448	XLogP3-AA	5.3
656954	Defined_Bond_Stereo_Count	0
86805	TPSA	82
9678	Isotope_Atom_Count	0
94398	Defined_Atom_Stereo_Count	0
44521017	Structure_Complexity	427
12609719	Defined_Bond_Stereo_Count	0
135417349	Hydrogen_Bond_Acceptor_Count	4
90998196	Defined_Atom_Stereo_Count	0
18711391	Undefined_Bond_Stereo_Count	0
91857355	Covalent_Unit_Count	1
6438331	Defined_Atom_Stereo_Count	2
83899	Tautomer_Count	1
134694073	Non-hydrogen_Atom_Count	30
5365332	Undefined_Bond_Stereo_Count	0
98279	Mono_Isotopic_Weight	98.073164938
2907	Hydrogen_Bond_Donor_Count	1
16139605	Defined_Atom_Stereo_Count	38
14434921	Total_Formal_Charge	0
13460453	Hydrogen_Bond_Donor_Count	1
67382752	Total_Formal_Charge	0
16987	Defined_Atom_Stereo_Count	0
158895	Exact_Mass	338.12665706
12896295	Defined_Bond_Stereo_Count	0
3008895	Exact_Mass	1158.42089250
68736	Covalent_Unit_Count	1
135966012	Total_Formal_Charge	0
7062	Exact_Mass	165.115364102
11612445	Covalent_Unit_Count	1
123400613	TPSA	9.2
124708040	Molecular_Weight	342.30
13814	XLogP3-AA	3.1
5092	Hydrogen_Bond_Acceptor_Count	3
261591	Undefined_Bond_Stereo_Count	0
36149	TPSA	93.1
232326	Undefined_Atom_Stereo_Count	0
5280804	Rotatable_Bond_Count	4
444797	Isotope_Atom_Count	0
12431566	Non-hydrogen_Atom_Count	7
135418296	Tautomer_Count	5
54677971	TPSA	136
94301	Total_Formal_Charge	0
25262965	Undefined_Bond_Stereo_Count	0
14591	Rotatable_Bond_Count	5
15480319	Undefined_Atom_Stereo_Count	0
24776149	Undefined_Atom_Stereo_Count	0
1549	Exact_Mass	540.9567742
48103	Mono_Isotopic_Weight	295.1105844
138074	Exact_Mass	98.109550447
4421864	Isotope_Atom_Count	0
47979	Molecular_Weight	383.5
135403648	Covalent_Unit_Count	1
2826713	Non-hydrogen_Atom_Count	60
11833	Molecular_Weight	160.17
81080	Covalent_Unit_Count	1
6386307	Covalent_Unit_Count	1
74918	Non-hydrogen_Atom_Count	15
130125724	Non-hydrogen_Atom_Count	8
24352	Total_Formal_Charge	0
3033968	Undefined_Bond_Stereo_Count	0
62774675	Rotatable_Bond_Count	3
23643976	Defined_Bond_Stereo_Count	0
23725056	Molecular_Weight	761.8
162461	Covalent_Unit_Count	1
87599626	Hydrogen_Bond_Acceptor_Count	4
135522261	Defined_Bond_Stereo_Count	0
20591	Hydrogen_Bond_Acceptor_Count	3
8553	Rotatable_Bond_Count	0
10582755	Hydrogen_Bond_Acceptor_Count	1
88800	Undefined_Atom_Stereo_Count	0
92299	Total_Formal_Charge	0
66330	Covalent_Unit_Count	1
522996	XLogP3-AA	3.3
123385	Defined_Bond_Stereo_Count	0
23681382	Undefined_Atom_Stereo_Count	0
6603901	Mono_Isotopic_Weight	402.16785316
636397	Rotatable_Bond_Count	7
12363650	Isotope_Atom_Count	0
31226	Defined_Atom_Stereo_Count	0
778	Structure_Complexity	86.1
11643997	Structure_Complexity	137
70693519	Hydrogen_Bond_Acceptor_Count	8
24014	Isotope_Atom_Count	0
9433	Defined_Bond_Stereo_Count	0
136703	Covalent_Unit_Count	1
118654527	Total_Formal_Charge	0
16760153	Defined_Bond_Stereo_Count	0
129010089	Defined_Atom_Stereo_Count	15
88705	Mono_Isotopic_Weight	135.104799419
18954381	Undefined_Bond_Stereo_Count	0
54300272	Mono_Isotopic_Weight	101.084063974
522769	Total_Formal_Charge	0
96457	Isotope_Atom_Count	0
59704271	TPSA	279
12416832	TPSA	122
24883444	Total_Formal_Charge	0
107670	Isotope_Atom_Count	0
41733	Undefined_Atom_Stereo_Count	1
44311916	Mono_Isotopic_Weight	1018.44048069
33294	Exact_Mass	288.09490270
153623425	Structure_Complexity	150
8098	Mono_Isotopic_Weight	234.11033829
71364	Mono_Isotopic_Weight	1303.66079514
3105	Undefined_Bond_Stereo_Count	0
3035406	Structure_Complexity	1900
502272	Tautomer_Count	4
9821383	Mono_Isotopic_Weight	383.20563565
2378	TPSA	17.8
99271	XLogP3-AA	1.9
54368096	Molecular_Weight	100.16
9952916	Hydrogen_Bond_Acceptor_Count	4
444008	Structure_Complexity	636
59903796	Mono_Isotopic_Weight	100.052429494
7386	Non-hydrogen_Atom_Count	13
7068	Tautomer_Count	3
22404489	Covalent_Unit_Count	1
11669987	TPSA	88
128024	Non-hydrogen_Atom_Count	26
71517529	Undefined_Bond_Stereo_Count	0
43173	Hydrogen_Bond_Donor_Count	3
20192394	Hydrogen_Bond_Acceptor_Count	3
3083702	Rotatable_Bond_Count	15
53846420	Hydrogen_Bond_Acceptor_Count	3
18974460	Exact_Mass	115.026943022
10753	Exact_Mass	253.01572689
420	XLogP3-AA	8.3
45511	Hydrogen_Bond_Donor_Count	0
9940864	Structure_Complexity	1460
11848	Isotope_Atom_Count	0
23663969	Defined_Bond_Stereo_Count	0
62413	TPSA	6.5
351917	Covalent_Unit_Count	1
32052	Total_Formal_Charge	0
642669	Total_Formal_Charge	0
64813	Exact_Mass	178.099379685
519642	Exact_Mass	110.01902136
5288223	Exact_Mass	176.03813935
13258	Structure_Complexity	220
433956	Hydrogen_Bond_Acceptor_Count	2
91805671	TPSA	9.2
44404640	Molecular_Weight	651.9
3033860	Hydrogen_Bond_Donor_Count	0
71344821	Undefined_Atom_Stereo_Count	1
10390369	Non-hydrogen_Atom_Count	35
446308	XLogP3-AA	4.9
11541511	Molecular_Weight	576.7
76957744	Defined_Bond_Stereo_Count	0
8843	Non-hydrogen_Atom_Count	11
529341	Non-hydrogen_Atom_Count	8
162918373	Exact_Mass	1201.84136802
135618542	TPSA	299
3855171	Mono_Isotopic_Weight	246.96609661
2168	Covalent_Unit_Count	1
4186	Rotatable_Bond_Count	6
2779024	Molecular_Weight	126.03
17045	Defined_Atom_Stereo_Count	0
9909054	Total_Formal_Charge	0
10110	TPSA	37.3
20297542	TPSA	38.9
16109396	Non-hydrogen_Atom_Count	26
20514195	Non-hydrogen_Atom_Count	7
87609775	Hydrogen_Bond_Donor_Count	3
136837	Tautomer_Count	2
220705	Isotope_Atom_Count	0
40771	Rotatable_Bond_Count	6
90449	Total_Formal_Charge	0
68321915	Isotope_Atom_Count	0
6997338	Defined_Bond_Stereo_Count	0
63412	Molecular_Weight	415.9
24533	Non-hydrogen_Atom_Count	2
45790066	Covalent_Unit_Count	4
689816	Hydrogen_Bond_Acceptor_Count	3
63992	Defined_Atom_Stereo_Count	0
154183660	Defined_Atom_Stereo_Count	0
69528681	Total_Formal_Charge	0
6669	Mono_Isotopic_Weight	294.12157168
190816	Undefined_Bond_Stereo_Count	0
25142176	Undefined_Bond_Stereo_Count	0
11074	Undefined_Bond_Stereo_Count	0
182176	TPSA	72.7
38875	Undefined_Bond_Stereo_Count	0
57401683	Covalent_Unit_Count	1
50914976	Structure_Complexity	535
104794	Undefined_Atom_Stereo_Count	0
5484366	Rotatable_Bond_Count	2
10006	Defined_Bond_Stereo_Count	0
59486	Undefined_Atom_Stereo_Count	1
7313	Tautomer_Count	1
64975	Total_Formal_Charge	0
855423	Hydrogen_Bond_Donor_Count	1
58863	Rotatable_Bond_Count	10
97724	Molecular_Weight	154.21
73343	Covalent_Unit_Count	2
76538	Exact_Mass	337.941786
24987688	Mono_Isotopic_Weight	805.29141642
444746	Undefined_Bond_Stereo_Count	0
12167	Tautomer_Count	1
12735590	Exact_Mass	110.036779430
706326	Mono_Isotopic_Weight	212.02197570
4651115	Covalent_Unit_Count	4
85889	Tautomer_Count	1
154552978	Undefined_Atom_Stereo_Count	0
9862634	Total_Formal_Charge	0
90016	Undefined_Atom_Stereo_Count	0
6950248	Total_Formal_Charge	0
4277439	Defined_Bond_Stereo_Count	0
7120	Hydrogen_Bond_Donor_Count	1
101642132	Isotope_Atom_Count	0
31294	Isotope_Atom_Count	0
3482402	Total_Formal_Charge	0
11674	Hydrogen_Bond_Acceptor_Count	2
124031668	TPSA	26
443881	Isotope_Atom_Count	0
16722164	Total_Formal_Charge	0
67825	Defined_Bond_Stereo_Count	0
51340308	Hydrogen_Bond_Donor_Count	1
5751	Covalent_Unit_Count	1
221122	Undefined_Atom_Stereo_Count	0
90643	Covalent_Unit_Count	1
31280	Rotatable_Bond_Count	16
8878	Undefined_Bond_Stereo_Count	0
9590	Mono_Isotopic_Weight	141.02260653
9917968	Tautomer_Count	1
7174	Molecular_Weight	179.22
22082539	Non-hydrogen_Atom_Count	8
5521	Non-hydrogen_Atom_Count	10
12185	Rotatable_Bond_Count	3
11063784	Defined_Atom_Stereo_Count	2
637927	Isotope_Atom_Count	0
13245702	Rotatable_Bond_Count	0
6918092	Mono_Isotopic_Weight	668.15062196
78566	Isotope_Atom_Count	0
160528942	Covalent_Unit_Count	1
6440764	Molecular_Weight	574.3
589863	Rotatable_Bond_Count	0
6590	Mono_Isotopic_Weight	88.052429494
51683431	Exact_Mass	342.11621151
53318409	Isotope_Atom_Count	0
78255	Undefined_Atom_Stereo_Count	0
91754427	Exact_Mass	726.07603
70339927	Molecular_Weight	84.12
54676860	Covalent_Unit_Count	1
54585373	Total_Formal_Charge	0
636750	Tautomer_Count	1
12579106	TPSA	20.2
10603	Defined_Atom_Stereo_Count	0
54678431	Undefined_Bond_Stereo_Count	0
61059	Non-hydrogen_Atom_Count	12
7969	Exact_Mass	110.01902136
2167	Covalent_Unit_Count	1
10866248	Molecular_Weight	18.055
71453559	Hydrogen_Bond_Acceptor_Count	5
11522448	Isotope_Atom_Count	0
89105	Undefined_Bond_Stereo_Count	0
69340339	Undefined_Bond_Stereo_Count	0
7946	Tautomer_Count	1
102426	Non-hydrogen_Atom_Count	20
56662035	Defined_Atom_Stereo_Count	0
42615	Structure_Complexity	2450
51299	Defined_Atom_Stereo_Count	0
403275	Undefined_Bond_Stereo_Count	0
10898949	Total_Formal_Charge	0
60196398	Total_Formal_Charge	0
13008	Hydrogen_Bond_Acceptor_Count	2
23696271	Hydrogen_Bond_Acceptor_Count	5
15657909	Defined_Atom_Stereo_Count	0
3067270	Non-hydrogen_Atom_Count	24
2813282	Defined_Atom_Stereo_Count	0
15940197	Hydrogen_Bond_Donor_Count	5
6992788	Hydrogen_Bond_Donor_Count	1
24768019	Non-hydrogen_Atom_Count	34
70065832	Covalent_Unit_Count	1
136216662	Total_Formal_Charge	0
12532405	Non-hydrogen_Atom_Count	7
690109	Total_Formal_Charge	0
16136	TPSA	0
208902	Defined_Atom_Stereo_Count	1
7571	Non-hydrogen_Atom_Count	17
5241	Molecular_Weight	597.96
101469918	Defined_Atom_Stereo_Count	5
6713312	Hydrogen_Bond_Acceptor_Count	3
163940225	Non-hydrogen_Atom_Count	8
34230	Structure_Complexity	1230
4205685	Undefined_Bond_Stereo_Count	0
54684337	TPSA	182
3872	Undefined_Bond_Stereo_Count	0
17517	Total_Formal_Charge	0
133662560	TPSA	110
116842112	Undefined_Atom_Stereo_Count	2
10887868	XLogP3-AA	0.1
4961971	Hydrogen_Bond_Donor_Count	2
16122612	Covalent_Unit_Count	1
24848413	Exact_Mass	1072.15680793
23690430	Structure_Complexity	248
13217907	Covalent_Unit_Count	1
50938	Covalent_Unit_Count	1
6992027	Isotope_Atom_Count	0
42512	Molecular_Weight	321.5
56982924	Hydrogen_Bond_Donor_Count	1
486	Undefined_Bond_Stereo_Count	0
11617	Undefined_Atom_Stereo_Count	0
37927	Tautomer_Count	1
22833307	Hydrogen_Bond_Donor_Count	0
87280032	Total_Formal_Charge	0
12872197	Mono_Isotopic_Weight	100.052429494
80867	Isotope_Atom_Count	0
548	Molecular_Weight	200.14
908	Covalent_Unit_Count	1
19823	Non-hydrogen_Atom_Count	33
8437	Defined_Atom_Stereo_Count	0
8620	Isotope_Atom_Count	0
7381	Defined_Bond_Stereo_Count	0
123806389	Total_Formal_Charge	0
11243457	Covalent_Unit_Count	2
288541	Isotope_Atom_Count	0
5283454	Mono_Isotopic_Weight	325.298079487
11171853	Mono_Isotopic_Weight	212.1107912
27903	TPSA	159
17310	Defined_Bond_Stereo_Count	0
1951	XLogP3	4.5
136183446	XLogP3-AA	5.4
54186	Hydrogen_Bond_Acceptor_Count	4
23581796	Total_Formal_Charge	0
89390	Molecular_Weight	329.3
10695961	Defined_Atom_Stereo_Count	2
17432	Exact_Mass	245.918817
40466932	Defined_Atom_Stereo_Count	2
8332	Rotatable_Bond_Count	3
4615	XLogP3-AA	4.1
10105	Mono_Isotopic_Weight	188.14124450
9473	Undefined_Bond_Stereo_Count	0
122163231	Mono_Isotopic_Weight	108.99862027
47897	Total_Formal_Charge	0
70863	Exact_Mass	311.1652068
118426	Hydrogen_Bond_Donor_Count	1
11979316	Exact_Mass	2138.8695618
3397	XLogP3	3.3
6918160	Isotope_Atom_Count	0
44342925	Structure_Complexity	371
12449	Isotope_Atom_Count	0
12302681	Covalent_Unit_Count	1
10881	Defined_Bond_Stereo_Count	0
123628273	Total_Formal_Charge	0
4369359	Exact_Mass	407.11807909
13042808	Non-hydrogen_Atom_Count	7
76956224	Non-hydrogen_Atom_Count	31
71744109	Rotatable_Bond_Count	0
5321765	Undefined_Atom_Stereo_Count	0
54041	Tautomer_Count	2
662986	Covalent_Unit_Count	1
123942782	Hydrogen_Bond_Acceptor_Count	2
13618	Rotatable_Bond_Count	0
260809	Hydrogen_Bond_Acceptor_Count	3
44145008	Structure_Complexity	36.4
123417941	Undefined_Atom_Stereo_Count	0
14843143	Isotope_Atom_Count	0
41530	Molecular_Weight	231.72
539077	Undefined_Bond_Stereo_Count	0
20624744	Non-hydrogen_Atom_Count	7
19845539	Hydrogen_Bond_Acceptor_Count	3
6626	Structure_Complexity	302
60572	Total_Formal_Charge	0
9890250	TPSA	83.1
85760873	Structure_Complexity	118
8655	Undefined_Bond_Stereo_Count	0
25058183	Molecular_Weight	371.3
67950444	Hydrogen_Bond_Donor_Count	5
46782912	XLogP3	0.9
28660	Total_Formal_Charge	0
52949543	Undefined_Atom_Stereo_Count	0
54012932	Hydrogen_Bond_Acceptor_Count	3
136261376	TPSA	42.7
7209	Non-hydrogen_Atom_Count	37
15576830	Mono_Isotopic_Weight	98.084398327
156618055	Undefined_Atom_Stereo_Count	0
44414728	Covalent_Unit_Count	1
3033992	Undefined_Atom_Stereo_Count	0
6099081	Hydrogen_Bond_Donor_Count	0
4358655	Total_Formal_Charge	0
5478986	Covalent_Unit_Count	1
821629	Isotope_Atom_Count	0
90431674	Hydrogen_Bond_Donor_Count	1
70693538	Exact_Mass	438.1955211
67825	Isotope_Atom_Count	0
54422686	Undefined_Bond_Stereo_Count	0
165411832	Non-hydrogen_Atom_Count	34
44475990	Covalent_Unit_Count	1
81477	Hydrogen_Bond_Donor_Count	2
4387	Exact_Mass	216.15862589
18628727	Hydrogen_Bond_Acceptor_Count	3
3485	Exact_Mass	100.052429494
672	Exact_Mass	326.12263431
49766037	Covalent_Unit_Count	1
14842863	TPSA	149
13146993	Defined_Atom_Stereo_Count	0
20748	Molecular_Weight	142.20
13000487	Undefined_Bond_Stereo_Count	0
3052775	Defined_Bond_Stereo_Count	0
3081386	Molecular_Weight	679.5
6918107	Defined_Bond_Stereo_Count	0
123178849	Hydrogen_Bond_Donor_Count	0
2762864	Undefined_Bond_Stereo_Count	0
141850000	Covalent_Unit_Count	1
54411340	Rotatable_Bond_Count	0
60165806	Defined_Atom_Stereo_Count	1
12444299	TPSA	144
44129647	Exact_Mass	348.11035554
11534837	Mono_Isotopic_Weight	418.0570545
447340	Hydrogen_Bond_Acceptor_Count	3
48409	Hydrogen_Bond_Donor_Count	1
151062	Isotope_Atom_Count	0
10882	Defined_Bond_Stereo_Count	0
66509054	Isotope_Atom_Count	0
135400456	Total_Formal_Charge	0
3104	Undefined_Atom_Stereo_Count	4
6319	Exact_Mass	260.131348519
78435478	TPSA	50.8
83547	Molecular_Weight	96.91
2816105	Isotope_Atom_Count	0
135621753	Undefined_Bond_Stereo_Count	0
6918188	Mono_Isotopic_Weight	733.15140
138107644	Hydrogen_Bond_Donor_Count	5
42104317	Defined_Atom_Stereo_Count	3
541506	Total_Formal_Charge	0
550687	Non-hydrogen_Atom_Count	7
667490	Undefined_Bond_Stereo_Count	0
23676735	Defined_Atom_Stereo_Count	0
5318599	Tautomer_Count	1
13019052	Mono_Isotopic_Weight	416.32904526
15950	Undefined_Atom_Stereo_Count	0
11317439	Undefined_Bond_Stereo_Count	0
32283	Hydrogen_Bond_Donor_Count	2
2762906	Covalent_Unit_Count	1
71066	Rotatable_Bond_Count	6
137815	Isotope_Atom_Count	0
18759	Covalent_Unit_Count	1
56440	Covalent_Unit_Count	1
108026	XLogP3-AA	2.5
54582513	TPSA	23.5
484651	Structure_Complexity	2070
6828	Isotope_Atom_Count	0
3033968	Exact_Mass	310.193280068
23679441	Hydrogen_Bond_Acceptor_Count	13
13126	Non-hydrogen_Atom_Count	30
60059	Defined_Atom_Stereo_Count	0
5521	Exact_Mass	161.06056562
22310945	Undefined_Bond_Stereo_Count	0
13574952	Covalent_Unit_Count	1
68137	Structure_Complexity	202
22033763	Non-hydrogen_Atom_Count	7
9976892	Defined_Bond_Stereo_Count	0
5735	Structure_Complexity	573
12766	Exact_Mass	128.120115130
9862176	Tautomer_Count	1
11084586	Rotatable_Bond_Count	6
93577	Hydrogen_Bond_Acceptor_Count	8
118855423	Structure_Complexity	726
10299876	Structure_Complexity	492
71460924	TPSA	99.2
60904070	XLogP3-AA	1.2
28145931	Non-hydrogen_Atom_Count	27
129630227	Mono_Isotopic_Weight	7340.9926854
3060	Defined_Atom_Stereo_Count	0
522003	Hydrogen_Bond_Acceptor_Count	2
9294	Exact_Mass	165.115364102
19935266	Non-hydrogen_Atom_Count	7
11786594	TPSA	132
207584	Hydrogen_Bond_Acceptor_Count	1
66711	Covalent_Unit_Count	1
126961192	Undefined_Atom_Stereo_Count	0
3081459	Hydrogen_Bond_Donor_Count	0
44590403	Defined_Bond_Stereo_Count	0
88239551	Undefined_Bond_Stereo_Count	0
638116	Non-hydrogen_Atom_Count	7
4234	Molecular_Weight	678.8
4186	XLogP3-AA	8.6
73707487	Defined_Bond_Stereo_Count	0
1053	Hydrogen_Bond_Acceptor_Count	7
137518	Defined_Bond_Stereo_Count	0
2775940	Rotatable_Bond_Count	18
1149	Non-hydrogen_Atom_Count	48
4412	Mono_Isotopic_Weight	743.07545344
8069	Covalent_Unit_Count	1
593379	TPSA	92.8
13299177	Structure_Complexity	111
985126	Mono_Isotopic_Weight	463.9822900
9552081	Total_Formal_Charge	0
52999	Mono_Isotopic_Weight	381.07430439
89811	Covalent_Unit_Count	1
9793703	Exact_Mass	98.059246208
350445	Exact_Mass	98.048012819
23677058	Hydrogen_Bond_Donor_Count	1
13917884	Mono_Isotopic_Weight	101.047678466
7761	Isotope_Atom_Count	0
44539266	Rotatable_Bond_Count	9
68068812	Total_Formal_Charge	0
135950975	Isotope_Atom_Count	0
11633904	Exact_Mass	456.21614077
19988	Structure_Complexity	462
12441297	Mono_Isotopic_Weight	104.037448136
11779772	Defined_Atom_Stereo_Count	0
75819	Total_Formal_Charge	0
135915	Tautomer_Count	28
446308	TPSA	36.9
133561657	Total_Formal_Charge	0
62705860	Hydrogen_Bond_Acceptor_Count	8
9796408	Undefined_Bond_Stereo_Count	0
398675	Molecular_Weight	461.6
66569	Covalent_Unit_Count	1
91395	Covalent_Unit_Count	1
12496412	Hydrogen_Bond_Donor_Count	0
80265	Total_Formal_Charge	0
166957	Total_Formal_Charge	0
130990	Structure_Complexity	1150
146821604	Molecular_Weight	100.16
140083	Undefined_Bond_Stereo_Count	0
54220457	Total_Formal_Charge	0
5310983	Isotope_Atom_Count	0
123913	Defined_Bond_Stereo_Count	0
49769060	Mono_Isotopic_Weight	719.42446176
442196	Hydrogen_Bond_Acceptor_Count	4
62739	Molecular_Weight	258.23
167451	Rotatable_Bond_Count	5
10557575	Rotatable_Bond_Count	16
17475	Defined_Atom_Stereo_Count	0
59040622	Exact_Mass	180.06338810
969516	Defined_Atom_Stereo_Count	0
123452974	Isotope_Atom_Count	0
16681432	Structure_Complexity	1850
2476	Hydrogen_Bond_Acceptor_Count	5
186148	Rotatable_Bond_Count	0
65238	Covalent_Unit_Count	1
56471	XLogP3	0.9
193270	Rotatable_Bond_Count	4
129317846	Mono_Isotopic_Weight	1029.60248569
445375	Undefined_Bond_Stereo_Count	0
28264	Isotope_Atom_Count	0
75828	Mono_Isotopic_Weight	265.89008
98026	Non-hydrogen_Atom_Count	13
88287569	Mono_Isotopic_Weight	112.088815002
23262349	Isotope_Atom_Count	0
124003	Total_Formal_Charge	0
9843640	Isotope_Atom_Count	0
140734	Defined_Bond_Stereo_Count	0
79809	Undefined_Bond_Stereo_Count	0
13243	Mono_Isotopic_Weight	181.03750770
5362858	Exact_Mass	101.084063974
2734678	Hydrogen_Bond_Acceptor_Count	5
3622	Defined_Bond_Stereo_Count	0
12511	Defined_Atom_Stereo_Count	0
44864	Exact_Mass	270.08920892
22977906	Undefined_Bond_Stereo_Count	0
7931	Hydrogen_Bond_Acceptor_Count	0
751826	Rotatable_Bond_Count	2
140560	XLogP3-AA	0.5
4097	Rotatable_Bond_Count	7
49967	Covalent_Unit_Count	1
15192	Undefined_Bond_Stereo_Count	0
769	Isotope_Atom_Count	0
62328	Defined_Atom_Stereo_Count	0
34864	Isotope_Atom_Count	0
72551585	Non-hydrogen_Atom_Count	42
11417954	Isotope_Atom_Count	0
5284369	Undefined_Bond_Stereo_Count	0
136504	Defined_Bond_Stereo_Count	0
10997868	Defined_Bond_Stereo_Count	0
50962	Exact_Mass	318.161979940
77801	Defined_Bond_Stereo_Count	0
102503760	TPSA	231
45116684	Hydrogen_Bond_Acceptor_Count	3
712377	Exact_Mass	151.00918496
92039518	Defined_Atom_Stereo_Count	0
146570	Hydrogen_Bond_Acceptor_Count	4
3641	Structure_Complexity	786
398631	Undefined_Atom_Stereo_Count	0
95295	Molecular_Weight	156.01
19077508	Undefined_Bond_Stereo_Count	0
968951	Defined_Atom_Stereo_Count	0
2285	Isotope_Atom_Count	0
12298493	TPSA	44
752	Mono_Isotopic_Weight	106.02660867
534471	Isotope_Atom_Count	0
12735	Defined_Bond_Stereo_Count	0
1549237	Hydrogen_Bond_Donor_Count	0
22829	Structure_Complexity	593
60698	Undefined_Bond_Stereo_Count	0
6917951	Hydrogen_Bond_Acceptor_Count	5
69086581	Defined_Atom_Stereo_Count	0
9246	Isotope_Atom_Count	0
45488107	Covalent_Unit_Count	1
14895	Exact_Mass	430.02530576
86088606	Rotatable_Bond_Count	1
136430	Total_Formal_Charge	0
750190	Defined_Atom_Stereo_Count	1
8032	Mono_Isotopic_Weight	189.96058025
44264589	Rotatable_Bond_Count	0
7146	XLogP3-AA	1.9
456389	Covalent_Unit_Count	1
4132	Covalent_Unit_Count	1
131704172	Defined_Bond_Stereo_Count	0
89982	Hydrogen_Bond_Donor_Count	2
143500	XLogP3-AA	0.7
439568	Covalent_Unit_Count	1
54597740	Undefined_Bond_Stereo_Count	0
24196	Covalent_Unit_Count	1
67248272	TPSA	46.2
71584053	Hydrogen_Bond_Donor_Count	1
5352846	Defined_Atom_Stereo_Count	0
64505	XLogP3-AA	1.8
15269993	Hydrogen_Bond_Donor_Count	1
444302	TPSA	104
3656821	Hydrogen_Bond_Donor_Count	2
7908	Molecular_Weight	101.19
88257494	Mono_Isotopic_Weight	112.063662883
23685849	Rotatable_Bond_Count	7
91753	Hydrogen_Bond_Acceptor_Count	4
5281088	Hydrogen_Bond_Acceptor_Count	2
2762892	Defined_Bond_Stereo_Count	0
70255	Defined_Bond_Stereo_Count	0
15098	Hydrogen_Bond_Acceptor_Count	0
5826113	Exact_Mass	370.21574685
95438	Rotatable_Bond_Count	3
12302681	Hydrogen_Bond_Acceptor_Count	11
152109	Isotope_Atom_Count	0
90930062	TPSA	55.4
123752006	Mono_Isotopic_Weight	108.093900383
12358970	Hydrogen_Bond_Acceptor_Count	8
3424274	Non-hydrogen_Atom_Count	11
135515430	Undefined_Bond_Stereo_Count	0
23657874	Defined_Atom_Stereo_Count	0
27882	Isotope_Atom_Count	0
12465459	Non-hydrogen_Atom_Count	8
6954	Hydrogen_Bond_Acceptor_Count	7
141829	Exact_Mass	85.052763847
618566	XLogP3-AA	6.6
117274708	Exact_Mass	111.032028402
43704	Non-hydrogen_Atom_Count	21
24838350	Molecular_Weight	1058.1
372	Total_Formal_Charge	0
10953595	Hydrogen_Bond_Donor_Count	0
57346808	Hydrogen_Bond_Donor_Count	11
35766	Total_Formal_Charge	0
123840004	Isotope_Atom_Count	0
799	Hydrogen_Bond_Acceptor_Count	6
68109743	Isotope_Atom_Count	0
103376402	Total_Formal_Charge	0
13713368	Molecular_Weight	395.0
30137	Undefined_Bond_Stereo_Count	0
53311	Undefined_Atom_Stereo_Count	0
12200171	Non-hydrogen_Atom_Count	8
126969105	TPSA	80.7
5282944	Defined_Atom_Stereo_Count	0
1247	Hydrogen_Bond_Donor_Count	1
42317	Undefined_Bond_Stereo_Count	0
70381	Molecular_Weight	225.28
6918025	Molecular_Weight	1191.4
486	Mono_Isotopic_Weight	184.06435410
73353578	Mono_Isotopic_Weight	410.0945816
6433198	Molecular_Weight	830.3
11188898	Molecular_Weight	404.5
95308	Exact_Mass	129.078978594
6497	Molecular_Weight	126.13
57392729	Undefined_Atom_Stereo_Count	0
9992	Structure_Complexity	74.4
6917839	Total_Formal_Charge	0
96281	Hydrogen_Bond_Acceptor_Count	4
14759390	Isotope_Atom_Count	0
3062	Structure_Complexity	1450
87190	Covalent_Unit_Count	1
24776140	Undefined_Bond_Stereo_Count	0
145712264	Non-hydrogen_Atom_Count	59
104806	Exact_Mass	61.987817862
7742	Rotatable_Bond_Count	2
91216087	XLogP3-AA	0.6
179822	Mono_Isotopic_Weight	403.78292
91668186	Tautomer_Count	288
148202	Undefined_Atom_Stereo_Count	0
5371728	Defined_Atom_Stereo_Count	0
19077486	Defined_Bond_Stereo_Count	0
14107712	Undefined_Bond_Stereo_Count	0
46839993	Tautomer_Count	1
11397521	Isotope_Atom_Count	0
71371762	Molecular_Weight	96.13
12262514	Defined_Atom_Stereo_Count	0
13418386	Non-hydrogen_Atom_Count	8
24450	TPSA	83.4
23684896	Molecular_Weight	161.16
175967	Isotope_Atom_Count	0
12472552	Covalent_Unit_Count	1
68323	Defined_Atom_Stereo_Count	0
20497	Hydrogen_Bond_Donor_Count	3
54173442	Isotope_Atom_Count	0
440728	Molecular_Weight	147.13
66901	Defined_Atom_Stereo_Count	0
11593431	Mono_Isotopic_Weight	88.052429494
5463858	Defined_Bond_Stereo_Count	0
9547261	Defined_Bond_Stereo_Count	3
21405	XLogP3	1.5
5379102	Exact_Mass	113.084063974
67518	Hydrogen_Bond_Donor_Count	0
54188406	Defined_Bond_Stereo_Count	0
4339838	Hydrogen_Bond_Donor_Count	0
140532060	Undefined_Atom_Stereo_Count	0
148350	Hydrogen_Bond_Donor_Count	0
295275	Mono_Isotopic_Weight	318.0771200
59755734	XLogP3-AA	0.5
6005	Defined_Bond_Stereo_Count	0
139080230	Hydrogen_Bond_Acceptor_Count	9
135018	Defined_Atom_Stereo_Count	3
4535	Defined_Atom_Stereo_Count	0
2893	Defined_Atom_Stereo_Count	0
129015152	Undefined_Atom_Stereo_Count	0
176453	Structure_Complexity	219
96034	Molecular_Weight	99.17
50942697	Structure_Complexity	710
135431668	Undefined_Atom_Stereo_Count	1
887798	Covalent_Unit_Count	1
69462056	Rotatable_Bond_Count	0
65130	Undefined_Bond_Stereo_Count	0
58054368	Rotatable_Bond_Count	9
11170938	Hydrogen_Bond_Donor_Count	0
20695	Covalent_Unit_Count	1
68216	Undefined_Bond_Stereo_Count	0
7479	Non-hydrogen_Atom_Count	11
78491	Mono_Isotopic_Weight	193.99424
14897389	Mono_Isotopic_Weight	114.031694049
548	Hydrogen_Bond_Donor_Count	3
10322586	Molecular_Weight	472.6
119146	Total_Formal_Charge	0
135985157	Mono_Isotopic_Weight	113.022526347
121710	Non-hydrogen_Atom_Count	8
66646	Rotatable_Bond_Count	1
1967	Mono_Isotopic_Weight	326.18819469
126830	Hydrogen_Bond_Donor_Count	1
66545	Exact_Mass	238.04121336
13297	Hydrogen_Bond_Donor_Count	1
134669	Exact_Mass	179.06161445
53950495	Molecular_Weight	116.16
136649217	Undefined_Atom_Stereo_Count	3
7794	Defined_Atom_Stereo_Count	0
84531	Undefined_Atom_Stereo_Count	0
16073666	Isotope_Atom_Count	0
450772	Hydrogen_Bond_Acceptor_Count	5
13516406	Structure_Complexity	61.5
89484493	Undefined_Bond_Stereo_Count	0
3706	XLogP3-AA	2.8
24875236	Isotope_Atom_Count	0
58079819	Hydrogen_Bond_Acceptor_Count	1
86601564	Total_Formal_Charge	0
19430196	Hydrogen_Bond_Donor_Count	0
68289914	Undefined_Atom_Stereo_Count	0
14010989	Isotope_Atom_Count	0
1422	Non-hydrogen_Atom_Count	27
78224604	Total_Formal_Charge	1
53477778	Structure_Complexity	847
101875160	Structure_Complexity	71.4
52947518	Undefined_Atom_Stereo_Count	0
378348	Rotatable_Bond_Count	0
21962760	Structure_Complexity	57.7
19816186	Structure_Complexity	107
534451	XLogP3	2.2
7054	Hydrogen_Bond_Donor_Count	1
59296114	XLogP3-AA	4.4
56680335	Hydrogen_Bond_Donor_Count	2
130122759	Structure_Complexity	111
333942	TPSA	91.8
11979956	TPSA	719
6921800	Rotatable_Bond_Count	6
86592	TPSA	17.1
221881	Isotope_Atom_Count	0
6237	Non-hydrogen_Atom_Count	22
72016	Exact_Mass	216.126263138
14465	TPSA	23.6
435459	Undefined_Atom_Stereo_Count	6
12105	Exact_Mass	120.057514874
84151	XLogP3	4.5
5329047	Total_Formal_Charge	0
1182	Isotope_Atom_Count	0
644006	Undefined_Atom_Stereo_Count	0
4427	Non-hydrogen_Atom_Count	21
180098	Defined_Atom_Stereo_Count	2
8499	Tautomer_Count	1
267577	Non-hydrogen_Atom_Count	32
14041	Undefined_Atom_Stereo_Count	0
3231	Exact_Mass	400.18858861
49243	Molecular_Weight	286.39
590130	Total_Formal_Charge	0
10252	Structure_Complexity	215
3878	Defined_Atom_Stereo_Count	0
11332503	Molecular_Weight	137.14
13748845	Mono_Isotopic_Weight	405.21403034
117957447	Structure_Complexity	53.7
4707	Hydrogen_Bond_Acceptor_Count	5
202519	Exact_Mass	346.21440943
8141	Molecular_Weight	128.25
653473	Total_Formal_Charge	0
46853632	Non-hydrogen_Atom_Count	34
135071	Undefined_Bond_Stereo_Count	0
10537	Defined_Bond_Stereo_Count	0
12664700	Isotope_Atom_Count	0
6924	Undefined_Bond_Stereo_Count	0
7999	Defined_Bond_Stereo_Count	0
8073	Covalent_Unit_Count	1
9818231	Hydrogen_Bond_Donor_Count	1
793	Isotope_Atom_Count	0
6334	XLogP3-AA	1.8
3035447	Mono_Isotopic_Weight	384.06360602
91590871	Defined_Bond_Stereo_Count	0
21253562	Hydrogen_Bond_Donor_Count	1
35802	Undefined_Bond_Stereo_Count	0
54106053	Total_Formal_Charge	0
17841212	Exact_Mass	97.027611728
8189	Undefined_Bond_Stereo_Count	0
23265	XLogP3	3.7
78202	Structure_Complexity	129
5287541	Exact_Mass	309.06709375
70555429	Hydrogen_Bond_Donor_Count	1
102681	XLogP3-AA	2.7
12298558	Non-hydrogen_Atom_Count	8
1117	Non-hydrogen_Atom_Count	5
7588	Exact_Mass	298.168127949
21021867	Isotope_Atom_Count	0
5139	Mono_Isotopic_Weight	104.04081944
10309028	Molecular_Weight	356.4
4591	Mono_Isotopic_Weight	790.52311317
67108485	Defined_Bond_Stereo_Count	0
6700	Isotope_Atom_Count	0
170317	Total_Formal_Charge	0
522731	Hydrogen_Bond_Donor_Count	0
6450003	Total_Formal_Charge	0
90788020	Defined_Atom_Stereo_Count	0
193602	Hydrogen_Bond_Acceptor_Count	3
2346	Molecular_Weight	149.21
5460389	Hydrogen_Bond_Donor_Count	2
504659	Isotope_Atom_Count	0
8413	TPSA	52
11895	Exact_Mass	170.0134572
1779	TPSA	66.4
517348	Mono_Isotopic_Weight	164.04419074
57284788	Hydrogen_Bond_Acceptor_Count	2
54352844	Molecular_Weight	98.10
66102	Exact_Mass	246.08920892
16186010	Hydrogen_Bond_Acceptor_Count	20
3365	Hydrogen_Bond_Acceptor_Count	7
129654479	Exact_Mass	84.021129366
24849132	Defined_Bond_Stereo_Count	0
67795854	Rotatable_Bond_Count	4
53320169	Defined_Bond_Stereo_Count	0
56842796	Defined_Atom_Stereo_Count	5
5556	Rotatable_Bond_Count	1
21793339	Undefined_Bond_Stereo_Count	0
636371	Rotatable_Bond_Count	9
65427	Undefined_Atom_Stereo_Count	1
424	Defined_Atom_Stereo_Count	0
61986	Covalent_Unit_Count	2
613589	Covalent_Unit_Count	1
89646	Rotatable_Bond_Count	1
71245288	Isotope_Atom_Count	0
87833	Total_Formal_Charge	0
145819	TPSA	55.7
11602	Molecular_Weight	82.14
123347340	TPSA	0
439811	Defined_Atom_Stereo_Count	0
10833571	Non-hydrogen_Atom_Count	28
8449	Exact_Mass	161.9639201
45073437	Tautomer_Count	1
14911569	Defined_Atom_Stereo_Count	0
5293	Non-hydrogen_Atom_Count	37
12675	Hydrogen_Bond_Donor_Count	0
129695690	Undefined_Atom_Stereo_Count	2
91557	Undefined_Atom_Stereo_Count	0
6914	Defined_Bond_Stereo_Count	0
16957	TPSA	0
7971	TPSA	33.1
10093379	Isotope_Atom_Count	0
40218	Isotope_Atom_Count	0
21895922	Rotatable_Bond_Count	0
578771	Hydrogen_Bond_Donor_Count	2
26890	Rotatable_Bond_Count	7
16213668	Non-hydrogen_Atom_Count	22
439369	Rotatable_Bond_Count	9
61024	Defined_Bond_Stereo_Count	0
54492709	Molecular_Weight	110.11
9854012	Exact_Mass	774.9483145
9548889	Exact_Mass	305.033937
2675	Mono_Isotopic_Weight	453.04129018
133119249	Non-hydrogen_Atom_Count	12
72732196	Hydrogen_Bond_Donor_Count	2
58137137	Rotatable_Bond_Count	5
11009	Covalent_Unit_Count	2
5489120	Hydrogen_Bond_Acceptor_Count	5
13748845	Defined_Atom_Stereo_Count	0
568084	Defined_Atom_Stereo_Count	0
140639440	Molecular_Weight	357.3
20680013	Non-hydrogen_Atom_Count	8
85475	Structure_Complexity	238
11578610	XLogP3-AA	3.9
5281104	Total_Formal_Charge	0
119097769	Non-hydrogen_Atom_Count	8
24086	Molecular_Weight	371.4
4456484	Hydrogen_Bond_Acceptor_Count	12
12359612	Undefined_Bond_Stereo_Count	0
2723694	XLogP3-AA	4.2
69430	TPSA	40.9
443495	Undefined_Atom_Stereo_Count	0
17865372	Isotope_Atom_Count	0
4034	Exact_Mass	390.1862766
170254	Total_Formal_Charge	0
6539304	Isotope_Atom_Count	0
121231162	Rotatable_Bond_Count	16
135297777	TPSA	39.2
9953732	Non-hydrogen_Atom_Count	30
54555	TPSA	29.5
142559332	Exact_Mass	111.068413911
23724796	Covalent_Unit_Count	1
11654876	Total_Formal_Charge	0
96004	Isotope_Atom_Count	0
54285963	Total_Formal_Charge	0
12452048	Mono_Isotopic_Weight	112.088815002
129864651	Total_Formal_Charge	0
67832	Hydrogen_Bond_Donor_Count	0
14497	Isotope_Atom_Count	0
14354	Mono_Isotopic_Weight	214.074227566
25386	Covalent_Unit_Count	2
99058	Covalent_Unit_Count	1
72930	XLogP3	1.5
701651	TPSA	58
549240	Undefined_Bond_Stereo_Count	0
6918606	Hydrogen_Bond_Acceptor_Count	13
27383	Undefined_Bond_Stereo_Count	0
37631	Rotatable_Bond_Count	0
5281915	Rotatable_Bond_Count	31
10931	Isotope_Atom_Count	0
35949	Hydrogen_Bond_Donor_Count	0
72760	Non-hydrogen_Atom_Count	18
24182914	Undefined_Atom_Stereo_Count	0
7567598	Undefined_Bond_Stereo_Count	0
122517441	Undefined_Bond_Stereo_Count	0
202519	Tautomer_Count	11
20769	Structure_Complexity	125
18757800	Molecular_Weight	147.17
142834	Undefined_Atom_Stereo_Count	0
14172370	Structure_Complexity	142
87815038	Isotope_Atom_Count	0
12268621	Mono_Isotopic_Weight	113.047678466
40113	Defined_Atom_Stereo_Count	0
69889594	Undefined_Atom_Stereo_Count	1
23677960	Covalent_Unit_Count	4
587348	Hydrogen_Bond_Donor_Count	1
88191	Undefined_Bond_Stereo_Count	0
20514195	Mono_Isotopic_Weight	103.063328530
24866515	Hydrogen_Bond_Acceptor_Count	7
9961434	Structure_Complexity	802
71459166	Rotatable_Bond_Count	4
21322	Non-hydrogen_Atom_Count	14
63952	Tautomer_Count	6
23675312	Total_Formal_Charge	0
42539	Defined_Bond_Stereo_Count	0
3025961	Defined_Bond_Stereo_Count	0
55973	Undefined_Atom_Stereo_Count	0
11974020	XLogP3-AA	3.7
16738703	Molecular_Weight	118.09
801111	Hydrogen_Bond_Acceptor_Count	5
60196334	Undefined_Bond_Stereo_Count	0
21359608	Rotatable_Bond_Count	1
636374	Rotatable_Bond_Count	8
57385877	XLogP3-AA	3
5325710	Undefined_Atom_Stereo_Count	0
641496	Exact_Mass	101.047678466
594510	Exact_Mass	349.0861010
11063784	Hydrogen_Bond_Acceptor_Count	5
5232201	Defined_Bond_Stereo_Count	0
22754629	Hydrogen_Bond_Acceptor_Count	2
523547	Undefined_Atom_Stereo_Count	1
5475462	Hydrogen_Bond_Acceptor_Count	1
118158	Non-hydrogen_Atom_Count	6
62475	Molecular_Weight	120.19
12278364	Covalent_Unit_Count	1
12572	Rotatable_Bond_Count	2
5948958	Non-hydrogen_Atom_Count	31
54418364	Covalent_Unit_Count	1
11478	Rotatable_Bond_Count	2
56627	Hydrogen_Bond_Acceptor_Count	8
71336	Exact_Mass	436.26269704
2781343	Isotope_Atom_Count	0
554363	Defined_Atom_Stereo_Count	0
31405	TPSA	20.2
4554	TPSA	0
139075879	Defined_Atom_Stereo_Count	0
67300	Hydrogen_Bond_Donor_Count	0
12695793	TPSA	3
14306122	Hydrogen_Bond_Donor_Count	0
31811	TPSA	113
69674285	Defined_Atom_Stereo_Count	0
10473927	Hydrogen_Bond_Donor_Count	1
320	Isotope_Atom_Count	0
12702016	Hydrogen_Bond_Acceptor_Count	1
16661549	Total_Formal_Charge	0
47795	TPSA	41.6
69946325	Exact_Mass	185.10519334
9963056	Tautomer_Count	5
33353	Total_Formal_Charge	0
150728341	XLogP3-AA	1.3
123512955	Hydrogen_Bond_Donor_Count	1
118008485	Undefined_Bond_Stereo_Count	0
66727	Hydrogen_Bond_Acceptor_Count	3
145562	Undefined_Bond_Stereo_Count	0
89390979	Defined_Atom_Stereo_Count	0
304016	Isotope_Atom_Count	0
6956367	Rotatable_Bond_Count	2
10630437	Defined_Atom_Stereo_Count	0
61511	Hydrogen_Bond_Acceptor_Count	6
52940915	TPSA	67.9
15388649	Isotope_Atom_Count	0
25261	Rotatable_Bond_Count	7
67627471	Defined_Bond_Stereo_Count	0
443939	Isotope_Atom_Count	0
102318232	Covalent_Unit_Count	1
228204	Molecular_Weight	250.74
522996	Total_Formal_Charge	0
54758309	Isotope_Atom_Count	0
12107	Exact_Mass	149.084063974
716995	Non-hydrogen_Atom_Count	20
54525833	Undefined_Atom_Stereo_Count	2
75633	Rotatable_Bond_Count	2
12257272	Defined_Bond_Stereo_Count	0
68909	Molecular_Weight	367.3
16436	Hydrogen_Bond_Acceptor_Count	2
5312108	Isotope_Atom_Count	0
129864962	Exact_Mass	322.11398438
33515	TPSA	12.9
45878	Rotatable_Bond_Count	4
80792	TPSA	26.3
56436	TPSA	45.2
9843750	XLogP3-AA	1.3
12222	Mono_Isotopic_Weight	54.010564683
213053	Isotope_Atom_Count	0
9275	Structure_Complexity	260
6790	Mono_Isotopic_Weight	223.03031432
87254	Hydrogen_Bond_Donor_Count	1
533854	Hydrogen_Bond_Donor_Count	1
9595287	Hydrogen_Bond_Donor_Count	1
12830097	Rotatable_Bond_Count	4
123779218	Non-hydrogen_Atom_Count	8
85864806	Total_Formal_Charge	0
71300725	Hydrogen_Bond_Acceptor_Count	48
17344	Molecular_Weight	257.5
349890	Undefined_Atom_Stereo_Count	1
565391	Hydrogen_Bond_Acceptor_Count	0
45116687	Isotope_Atom_Count	0
10126299	Isotope_Atom_Count	0
443958	Non-hydrogen_Atom_Count	36
140990657	TPSA	44.5
138924	Defined_Atom_Stereo_Count	0
20205172	Total_Formal_Charge	0
219096	TPSA	23.5
16126651	Mono_Isotopic_Weight	440.19607403
20312802	Exact_Mass	106.078250319
87224935	Mono_Isotopic_Weight	166.099379685
22960	Isotope_Atom_Count	0
6918670	Structure_Complexity	926
418745	Molecular_Weight	134.14
10217	Structure_Complexity	538
6877	Exact_Mass	165.078978594
5282452	Mono_Isotopic_Weight	421.16893641
65874	Tautomer_Count	5
10658	Mono_Isotopic_Weight	186.031694049
4042	Tautomer_Count	10
25069561	Defined_Bond_Stereo_Count	0
444455	Exact_Mass	463.19883619
23335962	Defined_Atom_Stereo_Count	0
1650	Covalent_Unit_Count	1
23994	Undefined_Atom_Stereo_Count	0
77160509	Non-hydrogen_Atom_Count	6
79488	Hydrogen_Bond_Acceptor_Count	1
89317	Structure_Complexity	187
6791	XLogP3	2.1
55212037	Mono_Isotopic_Weight	112.027277375
6971136	Exact_Mass	232.02796859
6015423	Structure_Complexity	570
46199646	Molecular_Weight	520.5
4658963	Hydrogen_Bond_Donor_Count	2
3246155	Non-hydrogen_Atom_Count	28
141192121	Molecular_Weight	95.10
11862	Hydrogen_Bond_Donor_Count	1
12278591	Covalent_Unit_Count	1
40466858	Molecular_Weight	348.4
156232886	Covalent_Unit_Count	1
9543090	Structure_Complexity	309
16211656	Total_Formal_Charge	0
68876	Molecular_Weight	395.9
40841	Covalent_Unit_Count	1
10102	Hydrogen_Bond_Acceptor_Count	0
13877	Structure_Complexity	102
67268	Defined_Atom_Stereo_Count	0
13000143	XLogP3	2.1
2736567	Mono_Isotopic_Weight	113.047678466
18569	Covalent_Unit_Count	1
417753	Hydrogen_Bond_Acceptor_Count	4
53956489	Non-hydrogen_Atom_Count	7
9913968	Hydrogen_Bond_Acceptor_Count	12
905275	Isotope_Atom_Count	0
264082	Total_Formal_Charge	0
53810451	Hydrogen_Bond_Donor_Count	0
129815740	Undefined_Bond_Stereo_Count	0
9547713	Total_Formal_Charge	0
84647730	Mono_Isotopic_Weight	116.083729621
136506065	Defined_Bond_Stereo_Count	0
60196375	Hydrogen_Bond_Acceptor_Count	11
431097	Undefined_Atom_Stereo_Count	2
72683639	Mono_Isotopic_Weight	631.2692103
19382908	Isotope_Atom_Count	0
11492406	Undefined_Atom_Stereo_Count	0
11106352	Hydrogen_Bond_Donor_Count	0
159778730	XLogP3-AA	2.5
70690636	Non-hydrogen_Atom_Count	29
5280567	Undefined_Bond_Stereo_Count	0
97868	Isotope_Atom_Count	0
76035516	Defined_Bond_Stereo_Count	0
14205677	Defined_Bond_Stereo_Count	0
10898638	Hydrogen_Bond_Acceptor_Count	1
53386711	Hydrogen_Bond_Donor_Count	2
57411983	XLogP3-AA	2.3
54421	Non-hydrogen_Atom_Count	27
5317319	Defined_Bond_Stereo_Count	1
13437467	Defined_Bond_Stereo_Count	0
225	Defined_Bond_Stereo_Count	0
90181814	Hydrogen_Bond_Donor_Count	0
3033952	Tautomer_Count	2
95902	Mono_Isotopic_Weight	286.10659032
60585	Hydrogen_Bond_Donor_Count	5
44205191	Mono_Isotopic_Weight	308.12846858
10254	Mono_Isotopic_Weight	148.088815002
136648	Tautomer_Count	1
143588	Total_Formal_Charge	0
19068741	Structure_Complexity	108
57400316	TPSA	129
14464	Hydrogen_Bond_Donor_Count	4
33960	XLogP3-AA	3
611945	Hydrogen_Bond_Donor_Count	0
64945	Rotatable_Bond_Count	1
19896519	Covalent_Unit_Count	1
11527635	Rotatable_Bond_Count	12
198015	Isotope_Atom_Count	0
4659387	TPSA	99.9
3084092	Non-hydrogen_Atom_Count	45
62773515	Rotatable_Bond_Count	1
135193	Tautomer_Count	3
16221	Mono_Isotopic_Weight	269.308250248
3001662	Defined_Bond_Stereo_Count	0
402875	Defined_Bond_Stereo_Count	0
54607635	TPSA	183
98044588	Hydrogen_Bond_Acceptor_Count	2
81867	TPSA	37.4
2801525	Rotatable_Bond_Count	2
13814	Non-hydrogen_Atom_Count	39
20205	Mono_Isotopic_Weight	102.068079557
450484	Molecular_Weight	393.21
53674114	Structure_Complexity	128
2320	Isotope_Atom_Count	0
11261	TPSA	20.2
77680	Undefined_Bond_Stereo_Count	0
155346	Hydrogen_Bond_Donor_Count	3
129	Defined_Bond_Stereo_Count	0
115260	Total_Formal_Charge	0
72938	Molecular_Weight	389.4
9581	TPSA	32.3
34665	Isotope_Atom_Count	0
156022731	Non-hydrogen_Atom_Count	72
448265	Rotatable_Bond_Count	0
14026391	Hydrogen_Bond_Donor_Count	0
31390	Rotatable_Bond_Count	3
9811837	Hydrogen_Bond_Acceptor_Count	11
13326679	Hydrogen_Bond_Donor_Count	1
103687	Undefined_Atom_Stereo_Count	1
71309208	Hydrogen_Bond_Acceptor_Count	0
557171	Total_Formal_Charge	0
25195346	Defined_Bond_Stereo_Count	0
101210282	Hydrogen_Bond_Acceptor_Count	0
9796365	Structure_Complexity	431
21941444	Structure_Complexity	96.4
10558601	Total_Formal_Charge	0
448388	Exact_Mass	180.06338810
431249	Structure_Complexity	668
11697697	Defined_Atom_Stereo_Count	0
2724025	Hydrogen_Bond_Acceptor_Count	2
10284	Total_Formal_Charge	0
124723	Non-hydrogen_Atom_Count	9
9959269	Defined_Bond_Stereo_Count	0
1574	XLogP3-AA	1.4
135019428	Total_Formal_Charge	0
5447130	Non-hydrogen_Atom_Count	14
15980171	Hydrogen_Bond_Acceptor_Count	7
6604498	Undefined_Bond_Stereo_Count	0
126402	Mono_Isotopic_Weight	317.19909372
397	Structure_Complexity	205
57519517	XLogP3-AA	1.6
550942	Exact_Mass	171.149738234
135565623	Structure_Complexity	3330
9047	Total_Formal_Charge	0
10062737	Hydrogen_Bond_Acceptor_Count	5
19816653	Isotope_Atom_Count	0
1396	Undefined_Bond_Stereo_Count	0
16070111	Exact_Mass	416.20597001
7210	Molecular_Weight	282.34
6950306	Defined_Atom_Stereo_Count	1
12074193	Rotatable_Bond_Count	6
23690996	Non-hydrogen_Atom_Count	8
12711601	XLogP3-AA	1.4
12836760	Defined_Atom_Stereo_Count	0
6054	Rotatable_Bond_Count	2
11286443	Undefined_Atom_Stereo_Count	0
107670	Defined_Atom_Stereo_Count	11
8670	Hydrogen_Bond_Donor_Count	1
11685945	Hydrogen_Bond_Donor_Count	7
443100	Exact_Mass	453.1700346
10082421	Rotatable_Bond_Count	7
24086	Defined_Atom_Stereo_Count	5
11407412	Rotatable_Bond_Count	6
390798	Covalent_Unit_Count	1
2757950	Defined_Bond_Stereo_Count	0
134338399	Undefined_Bond_Stereo_Count	0
134735	Undefined_Atom_Stereo_Count	0
5741	TPSA	38.8
447555	Defined_Atom_Stereo_Count	1
22385729	Defined_Atom_Stereo_Count	0
5281071	Hydrogen_Bond_Donor_Count	1
31072	Undefined_Bond_Stereo_Count	0
71448984	Undefined_Bond_Stereo_Count	0
134693234	Undefined_Bond_Stereo_Count	0
53903667	Structure_Complexity	93.2
10643403	Non-hydrogen_Atom_Count	25
16129616	Hydrogen_Bond_Acceptor_Count	55
512984	XLogP3-AA	2.9
136586	TPSA	18.5
5362391	Rotatable_Bond_Count	8
11287722	Non-hydrogen_Atom_Count	16
7436	Covalent_Unit_Count	1
100524	Isotope_Atom_Count	0
45008	Non-hydrogen_Atom_Count	19
11340940	Total_Formal_Charge	0
12508258	Covalent_Unit_Count	1
280	XLogP3-AA	0.9
136102	Non-hydrogen_Atom_Count	9
56673673	XLogP3	1
91667752	TPSA	290
265652	Defined_Atom_Stereo_Count	0
30619	Undefined_Bond_Stereo_Count	0
78320408	Covalent_Unit_Count	1
20656311	Hydrogen_Bond_Donor_Count	0
616642	Defined_Bond_Stereo_Count	0
55290736	Molecular_Weight	97.16
92629	Undefined_Bond_Stereo_Count	0
7183	Total_Formal_Charge	0
25079036	Tautomer_Count	996
126970904	Defined_Atom_Stereo_Count	0
12207545	Structure_Complexity	75.4
9570327	Hydrogen_Bond_Donor_Count	2
16122643	Defined_Atom_Stereo_Count	0
4609	TPSA	76.6
10275777	Rotatable_Bond_Count	7
57399426	TPSA	52.6
579	TPSA	209
123827359	TPSA	54.4
123895	Defined_Atom_Stereo_Count	1
61053	TPSA	55.4
82322	Isotope_Atom_Count	0
377339	Total_Formal_Charge	0
59907918	Molecular_Weight	342.30
68154	Undefined_Bond_Stereo_Count	0
69333614	Structure_Complexity	66.7
219224	Isotope_Atom_Count	0
249502	Defined_Atom_Stereo_Count	0
64218	Isotope_Atom_Count	0
694041	Exact_Mass	294.10044231
153976605	TPSA	49.3
10931404	Mono_Isotopic_Weight	114.068079557
133741	Molecular_Weight	276.37
159296	Molecular_Weight	427.20
61057	Non-hydrogen_Atom_Count	13
72466	Undefined_Atom_Stereo_Count	9
158691271	Exact_Mass	110.059246208
2496	Tautomer_Count	2
86742405	Total_Formal_Charge	0
12347357	TPSA	37.3
129702186	Hydrogen_Bond_Acceptor_Count	9
21702858	Molecular_Weight	114.14
45875	Defined_Bond_Stereo_Count	0
6914	Isotope_Atom_Count	0
446284	Rotatable_Bond_Count	13
131704316	Hydrogen_Bond_Acceptor_Count	10
63624	Exact_Mass	480.0989181
12277679	Defined_Bond_Stereo_Count	0
69851796	Hydrogen_Bond_Acceptor_Count	3
10048368	Hydrogen_Bond_Donor_Count	0
62842	Non-hydrogen_Atom_Count	11
5743	Hydrogen_Bond_Acceptor_Count	6
31250	TPSA	77.9
94247	Non-hydrogen_Atom_Count	12
125368	Hydrogen_Bond_Acceptor_Count	2
7495	TPSA	55
5801	Isotope_Atom_Count	0
3003191	Undefined_Atom_Stereo_Count	1
63686	Structure_Complexity	664
83478501	Isotope_Atom_Count	0
37207	Undefined_Atom_Stereo_Count	0
3315	Mono_Isotopic_Weight	872.05463428
250629	Undefined_Atom_Stereo_Count	0
405298	Covalent_Unit_Count	1
12046	Isotope_Atom_Count	0
447966	Undefined_Atom_Stereo_Count	0
8176	TPSA	26.3
21850	Hydrogen_Bond_Acceptor_Count	5
54235966	Structure_Complexity	107
20393	Tautomer_Count	1
71675	Exact_Mass	259.1127773
130845868	Total_Formal_Charge	0
55007	Mono_Isotopic_Weight	304.088815002
9425	Undefined_Bond_Stereo_Count	0
44373822	Rotatable_Bond_Count	28
86278352	Defined_Atom_Stereo_Count	1
1385867	Rotatable_Bond_Count	3
11985	Hydrogen_Bond_Donor_Count	2
82734	Molecular_Weight	145.18
82412	Undefined_Atom_Stereo_Count	0
21865974	Isotope_Atom_Count	0
13785328	Molecular_Weight	384.5
66742	Isotope_Atom_Count	0
129897177	Mono_Isotopic_Weight	1065.53558789
11073372	Defined_Atom_Stereo_Count	0
15311935	Undefined_Bond_Stereo_Count	0
6918973	Rotatable_Bond_Count	5
40473404	Total_Formal_Charge	0
9804992	Non-hydrogen_Atom_Count	31
45275554	Undefined_Bond_Stereo_Count	0
23616254	Total_Formal_Charge	0
24978553	Non-hydrogen_Atom_Count	57
11686295	Isotope_Atom_Count	0
12002774	Defined_Bond_Stereo_Count	0
54594622	Defined_Bond_Stereo_Count	0
53856717	Defined_Bond_Stereo_Count	0
5281070	Covalent_Unit_Count	2
44531649	Hydrogen_Bond_Acceptor_Count	4
71360804	Covalent_Unit_Count	1
5139	Defined_Bond_Stereo_Count	0
19784	Total_Formal_Charge	0
1443	Molecular_Weight	318.4
92153	Rotatable_Bond_Count	22
53384918	Rotatable_Bond_Count	4
3329	Exact_Mass	285.06709375
94398	Hydrogen_Bond_Donor_Count	0
114129	Non-hydrogen_Atom_Count	10
7336	Hydrogen_Bond_Donor_Count	0
6439276	Covalent_Unit_Count	2
3033972	Molecular_Weight	257.86
10295970	Covalent_Unit_Count	1
14888	Defined_Atom_Stereo_Count	0
7319	Isotope_Atom_Count	0
10329304	Exact_Mass	125.872641
10638	Undefined_Atom_Stereo_Count	0
945	Defined_Atom_Stereo_Count	0
54718618	Undefined_Bond_Stereo_Count	0
688356	Structure_Complexity	394
10814237	Undefined_Atom_Stereo_Count	0
13483371	Isotope_Atom_Count	0
3011734	Rotatable_Bond_Count	12
6321414	Mono_Isotopic_Weight	557.12501980
91473751	Total_Formal_Charge	0
895	Molecular_Weight	244.33
21853	Total_Formal_Charge	0
22866	Covalent_Unit_Count	3
20644244	Hydrogen_Bond_Acceptor_Count	2
13603	Covalent_Unit_Count	1
517165	Defined_Bond_Stereo_Count	0
838267	XLogP3-AA	3.3
195432	Tautomer_Count	1
16735967	Mono_Isotopic_Weight	508.27980365
10820479	Hydrogen_Bond_Donor_Count	1
81669	Undefined_Atom_Stereo_Count	0
69288	Defined_Atom_Stereo_Count	0
12302654	Molecular_Weight	342.30
5014	Covalent_Unit_Count	1
136323	Hydrogen_Bond_Acceptor_Count	0
51931	Structure_Complexity	208
493082	Covalent_Unit_Count	1
122612	Tautomer_Count	1
12702413	Hydrogen_Bond_Donor_Count	1
24759089	Undefined_Atom_Stereo_Count	0
128626	Hydrogen_Bond_Acceptor_Count	3
622923	XLogP3-AA	4.5
124159	Molecular_Weight	84.12
58550573	Rotatable_Bond_Count	0
441301	Total_Formal_Charge	0
94310	Mono_Isotopic_Weight	234.161979940
22091090	Undefined_Bond_Stereo_Count	0
5282349	Non-hydrogen_Atom_Count	30
8310	Hydrogen_Bond_Acceptor_Count	6
937	Molecular_Weight	122.10
53318409	Defined_Atom_Stereo_Count	0
4101	Mono_Isotopic_Weight	140.106196400
21724548	Structure_Complexity	645
121207282	Defined_Bond_Stereo_Count	0
564664	Undefined_Bond_Stereo_Count	0
3294	Molecular_Weight	241.24
58654632	Structure_Complexity	32.9
64929	XLogP3	3.9
6461	TPSA	46.5
123239	Non-hydrogen_Atom_Count	11
5232201	Isotope_Atom_Count	0
14230	Molecular_Weight	115.17
130443213	Undefined_Atom_Stereo_Count	0
9107	XLogP3-AA	5.6
7408	Isotope_Atom_Count	0
21713286	Non-hydrogen_Atom_Count	7
11320929	Mono_Isotopic_Weight	116.047344113
6442439	Isotope_Atom_Count	0
2120	Hydrogen_Bond_Donor_Count	1
21545139	Defined_Bond_Stereo_Count	0
566455	Mono_Isotopic_Weight	189.078978594
6437648	XLogP3-AA	4.9
11409	Hydrogen_Bond_Donor_Count	0
65953	Undefined_Bond_Stereo_Count	0
11513	Defined_Bond_Stereo_Count	0
36119	Molecular_Weight	447.5
2724372	XLogP3	2.7
8881	Undefined_Atom_Stereo_Count	0
6436061	Exact_Mass	246.06405680
11908490	Total_Formal_Charge	0
3019305	Mono_Isotopic_Weight	241.10152556
130770920	Defined_Atom_Stereo_Count	0
11813918	Hydrogen_Bond_Donor_Count	9
7241	TPSA	0
13843	TPSA	50.1
31226	Hydrogen_Bond_Donor_Count	0
2763750	Non-hydrogen_Atom_Count	16
146157955	Mono_Isotopic_Weight	867.49802062
122360911	Structure_Complexity	151
3417	Defined_Bond_Stereo_Count	0
6641	Molecular_Weight	270.4
36383	XLogP3-AA	0.4
6454	Total_Formal_Charge	0
18213	Structure_Complexity	55
74732	Tautomer_Count	2
164073	Isotope_Atom_Count	0
94830	Hydrogen_Bond_Donor_Count	1
834562	Hydrogen_Bond_Donor_Count	1
57484	Molecular_Weight	415.5
54601732	Mono_Isotopic_Weight	765.18484335
23666105	Non-hydrogen_Atom_Count	40
23010495	Molecular_Weight	284.35
88089033	Molecular_Weight	100.16
136081	Mono_Isotopic_Weight	134.01902136
165074	TPSA	0
90876965	Mono_Isotopic_Weight	112.088815002
18484	Hydrogen_Bond_Acceptor_Count	4
2318095	Undefined_Atom_Stereo_Count	0
85912645	Molecular_Weight	98.10
17198	TPSA	55.8
14800	Total_Formal_Charge	1
132784510	Defined_Atom_Stereo_Count	0
44563	Non-hydrogen_Atom_Count	29
10937607	Rotatable_Bond_Count	0
24780352	Defined_Bond_Stereo_Count	0
11808	Non-hydrogen_Atom_Count	14
11137142	Covalent_Unit_Count	2
1175	Mono_Isotopic_Weight	168.02834000
23279315	Defined_Atom_Stereo_Count	0
9543443	Exact_Mass	361.07661306
14436067	Molecular_Weight	103.12
69333956	Non-hydrogen_Atom_Count	8
134008	Mono_Isotopic_Weight	228.99796882
124870720	Molecular_Weight	875.1
23158752	Undefined_Bond_Stereo_Count	0
12563179	Covalent_Unit_Count	1
135502804	XLogP3-AA	1.7
3662	Non-hydrogen_Atom_Count	39
92032367	Defined_Bond_Stereo_Count	1
204874	Total_Formal_Charge	0
1512518	Tautomer_Count	1
16102855	Structure_Complexity	984
20352	Rotatable_Bond_Count	4
18616819	XLogP3-AA	1
14282994	Rotatable_Bond_Count	2
22258	Hydrogen_Bond_Donor_Count	0
2230	Structure_Complexity	187
62881	Mono_Isotopic_Weight	656.34147767
5282546	XLogP3-AA	4.9
24578	Defined_Atom_Stereo_Count	0
580057	Rotatable_Bond_Count	2
138026	Structure_Complexity	96.6
19082030	Molecular_Weight	114.17
108007	Exact_Mass	619.175549
5311429	Tautomer_Count	2
11658860	Structure_Complexity	172
25142444	Undefined_Bond_Stereo_Count	0
20872204	Covalent_Unit_Count	1
4840	Isotope_Atom_Count	0
53670643	Defined_Atom_Stereo_Count	0
7234	Structure_Complexity	255
4846	Mono_Isotopic_Weight	308.04332136
5704083	Isotope_Atom_Count	0
72551585	Undefined_Bond_Stereo_Count	0
79048	XLogP3-AA	1.1
91884833	Defined_Atom_Stereo_Count	6
12867435	Structure_Complexity	97.2
62583	Defined_Atom_Stereo_Count	0
31493	Covalent_Unit_Count	1
2377	Structure_Complexity	238
29199	Hydrogen_Bond_Donor_Count	2
70677682	Non-hydrogen_Atom_Count	30
251070	Molecular_Weight	188.22
67948733	TPSA	98.1
9989264	Hydrogen_Bond_Acceptor_Count	1
77524	XLogP3-AA	1.2
31217	Defined_Bond_Stereo_Count	0
2762892	Structure_Complexity	74.9
90843502	Undefined_Bond_Stereo_Count	0
66022	Mono_Isotopic_Weight	269.308250248
94330	Covalent_Unit_Count	1
591873	Isotope_Atom_Count	0
10727	Hydrogen_Bond_Donor_Count	0
12319	Structure_Complexity	28.1
85069	Structure_Complexity	439
70995	Undefined_Bond_Stereo_Count	0
9543169	Hydrogen_Bond_Acceptor_Count	22
11815817	Undefined_Bond_Stereo_Count	0
135413552	TPSA	33.6
7524	Undefined_Bond_Stereo_Count	0
6544	Isotope_Atom_Count	0
57393451	Mono_Isotopic_Weight	671.26744835
18760539	Structure_Complexity	50
3037914	Hydrogen_Bond_Acceptor_Count	5
1289	Total_Formal_Charge	0
8506	Structure_Complexity	652
21236	Non-hydrogen_Atom_Count	9
66840	Covalent_Unit_Count	1
101254314	Non-hydrogen_Atom_Count	12
58436	Tautomer_Count	2
7081	Structure_Complexity	278
21884	Total_Formal_Charge	0
11949285	Tautomer_Count	1
129873282	Isotope_Atom_Count	0
556872	Structure_Complexity	105
19867655	Non-hydrogen_Atom_Count	8
127036660	Molecular_Weight	355.6
630689	Defined_Atom_Stereo_Count	0
52949543	Hydrogen_Bond_Acceptor_Count	8
11197171	Isotope_Atom_Count	0
11480417	Mono_Isotopic_Weight	111.068413911
4160	Hydrogen_Bond_Donor_Count	1
62995	Defined_Bond_Stereo_Count	0
37723	Tautomer_Count	1
41718	Hydrogen_Bond_Donor_Count	0
25200298	Defined_Bond_Stereo_Count	4
69188	Tautomer_Count	1
4656	Non-hydrogen_Atom_Count	15
59973	Undefined_Bond_Stereo_Count	0
16311605	Defined_Bond_Stereo_Count	0
3086319	XLogP3-AA	2.6
31016	Defined_Bond_Stereo_Count	0
146367450	Isotope_Atom_Count	0
134715513	Undefined_Bond_Stereo_Count	0
26970	Undefined_Bond_Stereo_Count	0
69146	Covalent_Unit_Count	1
12969456	Undefined_Atom_Stereo_Count	0
6536864	Defined_Bond_Stereo_Count	1
19239	Exact_Mass	102.079312947
105131	Molecular_Weight	122.95
42174	Total_Formal_Charge	0
60335	Hydrogen_Bond_Acceptor_Count	2
11377	Exact_Mass	144.068748264
88359	Exact_Mass	112.063662883
16844	Non-hydrogen_Atom_Count	9
3622	Exact_Mass	290.17561863
4037	Covalent_Unit_Count	1
14274724	Total_Formal_Charge	0
57399909	Total_Formal_Charge	0
73351	Hydrogen_Bond_Donor_Count	4
4487	Defined_Bond_Stereo_Count	0
57398150	Non-hydrogen_Atom_Count	26
5940153	Exact_Mass	203.058243149
6941	Rotatable_Bond_Count	1
69267	Mono_Isotopic_Weight	153.042593085
20483595	Structure_Complexity	177
447476	Hydrogen_Bond_Donor_Count	4
20216719	Undefined_Bond_Stereo_Count	0
70070	Exact_Mass	411.92994806
5311504	Rotatable_Bond_Count	3
14895	Hydrogen_Bond_Acceptor_Count	10
87635503	Non-hydrogen_Atom_Count	7
91163310	Undefined_Bond_Stereo_Count	0
235269	XLogP3-AA	2.2
21675991	Defined_Atom_Stereo_Count	0
839611	Hydrogen_Bond_Acceptor_Count	4
70677	Mono_Isotopic_Weight	444.00685688
65601	Total_Formal_Charge	0
156422	Defined_Atom_Stereo_Count	0
87535084	Mono_Isotopic_Weight	114.068079557
10972974	XLogP3-AA	4.8
795875	Non-hydrogen_Atom_Count	20
14930278	TPSA	29.5
6917762	Covalent_Unit_Count	1
5282426	Covalent_Unit_Count	1
168623	Exact_Mass	365.2121570
136316	TPSA	0
16135	Total_Formal_Charge	0
611945	Exact_Mass	230.149077236
11765960	XLogP3	1.8
127894	Total_Formal_Charge	0
15477807	Non-hydrogen_Atom_Count	23
5459377	XLogP3-AA	11.3
66561	Non-hydrogen_Atom_Count	14
25247	Defined_Atom_Stereo_Count	0
3768578	Isotope_Atom_Count	0
29124	Rotatable_Bond_Count	4
9060	TPSA	79.1
71311389	Total_Formal_Charge	0
1363	Defined_Bond_Stereo_Count	0
5778	Total_Formal_Charge	0
27347	Non-hydrogen_Atom_Count	17
636362	Isotope_Atom_Count	0
102506015	Hydrogen_Bond_Acceptor_Count	4
15130827	Rotatable_Bond_Count	6
15420544	Covalent_Unit_Count	1
68081017	TPSA	20.2
57283625	Defined_Atom_Stereo_Count	0
5281034	Isotope_Atom_Count	0
3082052	Defined_Atom_Stereo_Count	3
34408	TPSA	94.2
62130	Covalent_Unit_Count	2
11498	Rotatable_Bond_Count	9
9941379	Tautomer_Count	1000
60196377	Non-hydrogen_Atom_Count	10
91826463	XLogP3	2.5
44630251	Defined_Bond_Stereo_Count	0
3032732	Hydrogen_Bond_Donor_Count	0
7343	Mono_Isotopic_Weight	114.068079557
11681588	Total_Formal_Charge	0
95524	Undefined_Atom_Stereo_Count	1
81729	Mono_Isotopic_Weight	204.183778013
107807	Structure_Complexity	524
135421876	XLogP3-AA	0.2
13642940	Covalent_Unit_Count	1
5335	Defined_Atom_Stereo_Count	0
5371	Exact_Mass	430.34469533
37888437	TPSA	103
12271346	Hydrogen_Bond_Acceptor_Count	1
18104	TPSA	72.3
60196286	Exact_Mass	328.10056145
5808	Molecular_Weight	211.26
216225	Exact_Mass	421.14715559
70694805	XLogP3-AA	0.6
15723	Structure_Complexity	268
46856376	Rotatable_Bond_Count	0
7838	Non-hydrogen_Atom_Count	8
19604021	Mono_Isotopic_Weight	98.084398327
92667	Total_Formal_Charge	0
76403	Undefined_Atom_Stereo_Count	0
409350	Defined_Atom_Stereo_Count	0
3683036	Rotatable_Bond_Count	4
484651	Defined_Atom_Stereo_Count	0
69135	Isotope_Atom_Count	0
11632113	Exact_Mass	371.12813423
167693	Undefined_Atom_Stereo_Count	0
444899	Exact_Mass	304.240230259
107400	Total_Formal_Charge	0
4989	Structure_Complexity	248
99748	Structure_Complexity	106
4346	Undefined_Bond_Stereo_Count	0
129651092	Exact_Mass	551.0560847
12317358	Structure_Complexity	152
11722	Non-hydrogen_Atom_Count	5
72760	Undefined_Bond_Stereo_Count	0
154419142	Molecular_Weight	113.07
165881712	Defined_Atom_Stereo_Count	0
11518241	Isotope_Atom_Count	0
62773515	Mono_Isotopic_Weight	114.068079557
10350317	Defined_Bond_Stereo_Count	2
126704391	Hydrogen_Bond_Donor_Count	5
54682930	Total_Formal_Charge	0
125183303	Undefined_Atom_Stereo_Count	0
16052039	Undefined_Bond_Stereo_Count	0
62724	Molecular_Weight	412.3
15208	Total_Formal_Charge	0
24648	XLogP3-AA	1.2
2090	Tautomer_Count	36
84	Covalent_Unit_Count	1
11576068	Hydrogen_Bond_Acceptor_Count	4
56202	Undefined_Atom_Stereo_Count	1
25067411	Covalent_Unit_Count	1
10240766	Hydrogen_Bond_Donor_Count	0
144513	Isotope_Atom_Count	0
21908889	Rotatable_Bond_Count	3
20084	Total_Formal_Charge	0
10307849	XLogP3-AA	0.8
65487	Defined_Atom_Stereo_Count	0
57656232	Non-hydrogen_Atom_Count	7
5485201	Total_Formal_Charge	0
1139	Undefined_Atom_Stereo_Count	3
164179927	Hydrogen_Bond_Donor_Count	4
9912381	Covalent_Unit_Count	1
57403176	Non-hydrogen_Atom_Count	28
71306828	Non-hydrogen_Atom_Count	40
565106	Isotope_Atom_Count	0
54761306	Covalent_Unit_Count	1
774	Rotatable_Bond_Count	2
27893	Non-hydrogen_Atom_Count	8
68194	Undefined_Bond_Stereo_Count	0
57548589	Total_Formal_Charge	0
8923	Hydrogen_Bond_Donor_Count	1
128682	Non-hydrogen_Atom_Count	24
439616	Structure_Complexity	138
85904461	Isotope_Atom_Count	0
60196393	Covalent_Unit_Count	2
7094	Exact_Mass	166.172150702
21872023	Molecular_Weight	443.0
17835	Non-hydrogen_Atom_Count	11
5282109	Mono_Isotopic_Weight	182.130679813
10251042	Rotatable_Bond_Count	3
6433396	Tautomer_Count	1
1871	Mono_Isotopic_Weight	175.026943022
89805	Undefined_Atom_Stereo_Count	0
173612	Molecular_Weight	481.9
60196360	Defined_Bond_Stereo_Count	0
216345	Molecular_Weight	581.5
108675	Molecular_Weight	179.02
14517	Mono_Isotopic_Weight	121.032777294
89217	Isotope_Atom_Count	0
130659	Total_Formal_Charge	0
582251	Non-hydrogen_Atom_Count	6
35455	Exact_Mass	320.152477885
65374	Hydrogen_Bond_Donor_Count	3
40703	Non-hydrogen_Atom_Count	33
22353206	XLogP3-AA	0
84647703	Total_Formal_Charge	0
6385	Covalent_Unit_Count	1
129980649	Hydrogen_Bond_Acceptor_Count	2
162246	Mono_Isotopic_Weight	504.32983310
5786	Isotope_Atom_Count	0
5282350	Defined_Bond_Stereo_Count	2
22082539	Hydrogen_Bond_Donor_Count	0
136183544	Non-hydrogen_Atom_Count	31
9966051	TPSA	40.6
62775	Hydrogen_Bond_Donor_Count	0
85991	Defined_Bond_Stereo_Count	0
10938769	Undefined_Atom_Stereo_Count	0
16213546	Hydrogen_Bond_Acceptor_Count	6
182422	Molecular_Weight	230.3
11520819	Non-hydrogen_Atom_Count	64
164668700	Covalent_Unit_Count	1
55253420	Exact_Mass	99.104799419
3058754	TPSA	95.6
38988396	Hydrogen_Bond_Donor_Count	2
6185	Defined_Bond_Stereo_Count	0
1721	Mono_Isotopic_Weight	290.11140092
54681041	TPSA	206
45484139	Isotope_Atom_Count	0
10461263	Rotatable_Bond_Count	13
139449	Hydrogen_Bond_Donor_Count	0
156618042	Defined_Atom_Stereo_Count	10
1477065	Undefined_Atom_Stereo_Count	0
14923690	Undefined_Bond_Stereo_Count	0
138319323	Total_Formal_Charge	0
21863274	Rotatable_Bond_Count	2
74695	Rotatable_Bond_Count	0
60196404	Exact_Mass	636.240074
9949641	Undefined_Atom_Stereo_Count	0
33344	Molecular_Weight	149.60
57396149	Hydrogen_Bond_Donor_Count	2
154982320	Hydrogen_Bond_Donor_Count	0
3852430	Undefined_Atom_Stereo_Count	0
60575	Exact_Mass	370.20565627
16950	Exact_Mass	290.12263431
123455	Undefined_Bond_Stereo_Count	0
498650	Undefined_Bond_Stereo_Count	1
6055792	Undefined_Bond_Stereo_Count	0
117859259	Total_Formal_Charge	0
140568	Undefined_Bond_Stereo_Count	0
88365	Hydrogen_Bond_Donor_Count	0
456390	Exact_Mass	413.01418
22645860	Undefined_Atom_Stereo_Count	0
10892	Undefined_Atom_Stereo_Count	0
135911835	Undefined_Bond_Stereo_Count	0
30822	Covalent_Unit_Count	1
118978207	Molecular_Weight	112.17
116864150	Structure_Complexity	107
57190391	Non-hydrogen_Atom_Count	6
2798315	Exact_Mass	284.02893460
14989	Hydrogen_Bond_Donor_Count	7
44455014	Rotatable_Bond_Count	6
21093784	Rotatable_Bond_Count	5
73680	Mono_Isotopic_Weight	669.06554367
267493	Exact_Mass	259.05930578
36933	Structure_Complexity	320
71449805	Defined_Bond_Stereo_Count	0
14028213	Structure_Complexity	141
89268685	XLogP3-AA	0.3
71080	Exact_Mass	89.047678466
4369233	Non-hydrogen_Atom_Count	18
11935	Total_Formal_Charge	0
13356643	Total_Formal_Charge	0
85032	XLogP3-AA	1.4
19930642	Non-hydrogen_Atom_Count	7
159384	Rotatable_Bond_Count	0
138023	Undefined_Atom_Stereo_Count	2
11105314	Hydrogen_Bond_Acceptor_Count	2
24762	Undefined_Atom_Stereo_Count	0
23663404	Defined_Atom_Stereo_Count	5
18952325	TPSA	38.4
58160574	Mono_Isotopic_Weight	527.23263824
10723	Total_Formal_Charge	0
49792792	Defined_Atom_Stereo_Count	0
12240030	Isotope_Atom_Count	0
4874	Hydrogen_Bond_Donor_Count	2
17890710	Undefined_Atom_Stereo_Count	0
71209	Defined_Bond_Stereo_Count	0
21080	Structure_Complexity	348
8929	Hydrogen_Bond_Donor_Count	0
9877	Structure_Complexity	76.9
27872	Non-hydrogen_Atom_Count	31
16197725	TPSA	2950
72200444	Defined_Bond_Stereo_Count	0
30437	Undefined_Bond_Stereo_Count	0
60059	Hydrogen_Bond_Donor_Count	0
75024	Mono_Isotopic_Weight	118.062994177
18736805	Hydrogen_Bond_Acceptor_Count	3
76482	Total_Formal_Charge	0
439501	Hydrogen_Bond_Donor_Count	8
12407016	Rotatable_Bond_Count	0
25099474	Molecular_Weight	361.4
22481615	Isotope_Atom_Count	0
3037886	Rotatable_Bond_Count	0
7129	Mono_Isotopic_Weight	172.088815002
5359367	Covalent_Unit_Count	1
21047	Mono_Isotopic_Weight	397.24259324
24721540	Covalent_Unit_Count	2
12993402	Rotatable_Bond_Count	0
18370	Exact_Mass	181.03750770
4111803	Structure_Complexity	48.1
22836366	Non-hydrogen_Atom_Count	12
28459	Defined_Atom_Stereo_Count	0
19989310	Isotope_Atom_Count	0
138663	Covalent_Unit_Count	1
139154214	Undefined_Bond_Stereo_Count	0
53956489	Rotatable_Bond_Count	3
6256685	Non-hydrogen_Atom_Count	18
954767	Total_Formal_Charge	0
70346812	Defined_Atom_Stereo_Count	0
25058183	Mono_Isotopic_Weight	370.1327168
54676884	Defined_Atom_Stereo_Count	0
95269	TPSA	38.7
91031492	Defined_Atom_Stereo_Count	1
67718	Isotope_Atom_Count	0
39648	Rotatable_Bond_Count	9
15130827	Covalent_Unit_Count	1
57148	Molecular_Weight	269.25
5333	Hydrogen_Bond_Donor_Count	2
5460613	Isotope_Atom_Count	0
3050408	Mono_Isotopic_Weight	457.05554083
129846869	Defined_Bond_Stereo_Count	0
3661	Defined_Bond_Stereo_Count	0
16132767	Molecular_Weight	1132.1
22266611	Defined_Bond_Stereo_Count	0
53476	Molecular_Weight	251.06
9824345	Molecular_Weight	436.5
9919942	Molecular_Weight	1166.1
117891679	Structure_Complexity	133
23916	Non-hydrogen_Atom_Count	10
6999987	Undefined_Bond_Stereo_Count	0
670	Non-hydrogen_Atom_Count	6
9116	Rotatable_Bond_Count	0
18622	Covalent_Unit_Count	1
167451	Mono_Isotopic_Weight	383.1167324
8330	Hydrogen_Bond_Acceptor_Count	2
102063093	Molecular_Weight	168.23
839	TPSA	121
22962	Tautomer_Count	2
627458	Defined_Atom_Stereo_Count	0
70609	Defined_Bond_Stereo_Count	0
123249588	Covalent_Unit_Count	1
74195	Covalent_Unit_Count	1
3544	Structure_Complexity	339
60078648	Defined_Bond_Stereo_Count	0
6102731	Undefined_Bond_Stereo_Count	0
10378	Undefined_Atom_Stereo_Count	0
417753	Non-hydrogen_Atom_Count	32
9547700	Hydrogen_Bond_Acceptor_Count	1
107926	Undefined_Bond_Stereo_Count	0
137375527	TPSA	59.8
101670359	Molecular_Weight	300.5
9865375	Exact_Mass	393.23039385
68940	Non-hydrogen_Atom_Count	27
78031	Mono_Isotopic_Weight	229.99456046
2529	Covalent_Unit_Count	3
21545139	Isotope_Atom_Count	0
25137901	Mono_Isotopic_Weight	908.36010511
12231381	Hydrogen_Bond_Donor_Count	0
7003	Defined_Atom_Stereo_Count	0
1544	Rotatable_Bond_Count	22
3034811	Mono_Isotopic_Weight	104.968545
4494	Structure_Complexity	783
9807600	Exact_Mass	547.99053
19905962	Non-hydrogen_Atom_Count	8
124514	Rotatable_Bond_Count	3
25201948	Isotope_Atom_Count	0
26473	Isotope_Atom_Count	0
9869929	Structure_Complexity	642
42611257	XLogP3-AA	5
7232	Total_Formal_Charge	0
5037	Covalent_Unit_Count	1
10039361	XLogP3-AA	1.2
91087911	TPSA	20.2
567743	Rotatable_Bond_Count	4
20605384	Mono_Isotopic_Weight	96.057514874
26731	Defined_Atom_Stereo_Count	0
6708701	XLogP3-AA	0.6
927	Total_Formal_Charge	0
102601697	Molecular_Weight	241.74
56928061	TPSA	272
56984356	Mono_Isotopic_Weight	102.031694049
4570	Non-hydrogen_Atom_Count	24
81629	Undefined_Atom_Stereo_Count	0
125702	Undefined_Bond_Stereo_Count	0
2381	Defined_Atom_Stereo_Count	0
71398	Covalent_Unit_Count	1
9221	Defined_Bond_Stereo_Count	0
9846875	Exact_Mass	456.19435995
20561716	Rotatable_Bond_Count	0
1483	Isotope_Atom_Count	0
919	Non-hydrogen_Atom_Count	16
5362118	Defined_Bond_Stereo_Count	0
59910362	Undefined_Atom_Stereo_Count	1
56955285	Rotatable_Bond_Count	3
2737701	Structure_Complexity	76.8
6917762	Exact_Mass	228.183778013
78638	Hydrogen_Bond_Donor_Count	0
445892	Rotatable_Bond_Count	2
193214	Defined_Atom_Stereo_Count	0
4019	Non-hydrogen_Atom_Count	27
198790	Mono_Isotopic_Weight	371.94327
125286696	Defined_Bond_Stereo_Count	2
70864	Rotatable_Bond_Count	7
22502	Defined_Atom_Stereo_Count	3
6436732	Molecular_Weight	240.34
14642	Exact_Mass	250.15689456
6540	Undefined_Bond_Stereo_Count	0
5253	XLogP3	0.2
5365543	Tautomer_Count	1
4920	Defined_Atom_Stereo_Count	0
57235	Undefined_Bond_Stereo_Count	0
93171	Tautomer_Count	1
14818447	Defined_Atom_Stereo_Count	0
9552081	Non-hydrogen_Atom_Count	60
12240030	Exact_Mass	113.084063974
139820	Molecular_Weight	100.12
5288672	Exact_Mass	359.1036691
71451390	Rotatable_Bond_Count	8
694146	Total_Formal_Charge	0
6433554	Undefined_Bond_Stereo_Count	0
5280754	Rotatable_Bond_Count	15
53401856	Defined_Atom_Stereo_Count	0
135981362	Structure_Complexity	832
19933	Covalent_Unit_Count	1
6321422	Undefined_Atom_Stereo_Count	0
14453670	Rotatable_Bond_Count	1
12096747	Mono_Isotopic_Weight	655.41562841
256019	Exact_Mass	218.04129354
52945794	Mono_Isotopic_Weight	293.19909372
87490405	Molecular_Weight	111.10
10453	Hydrogen_Bond_Donor_Count	1
19363031	Total_Formal_Charge	0
76956224	Molecular_Weight	449.5
13684981	Mono_Isotopic_Weight	104.047344113
161664	Undefined_Atom_Stereo_Count	0
117682783	Exact_Mass	284.16237386
21547708	Covalent_Unit_Count	1
454386	Tautomer_Count	5
25067547	Defined_Bond_Stereo_Count	0
643774	Rotatable_Bond_Count	0
135565471	Hydrogen_Bond_Acceptor_Count	15
7966	Molecular_Weight	100.16
5280608	Hydrogen_Bond_Donor_Count	2
9584	Covalent_Unit_Count	1
285725	TPSA	41.5
71072034	XLogP3-AA	3.8
45933578	Covalent_Unit_Count	1
572852	Undefined_Atom_Stereo_Count	0
53669425	Exact_Mass	259.06095954
35810	TPSA	31.7
10980	Total_Formal_Charge	0
44134949	Isotope_Atom_Count	0
167305	Total_Formal_Charge	0
91148	Total_Formal_Charge	0
135403802	Undefined_Atom_Stereo_Count	1
48041	Total_Formal_Charge	0
5310966	Covalent_Unit_Count	1
2167092	Non-hydrogen_Atom_Count	23
9874874	TPSA	174
91488	Molecular_Weight	412.4
16990	Undefined_Bond_Stereo_Count	0
57505393	Defined_Atom_Stereo_Count	0
11251988	Exact_Mass	115.063328530
78090	Defined_Atom_Stereo_Count	0
84647614	Defined_Atom_Stereo_Count	0
122361528	Hydrogen_Bond_Acceptor_Count	17
81531	Rotatable_Bond_Count	3
31215	Total_Formal_Charge	0
443041	Exact_Mass	324.98845
6440554	Defined_Atom_Stereo_Count	3
81325	Rotatable_Bond_Count	3
14502	Covalent_Unit_Count	1
53487990	Undefined_Bond_Stereo_Count	0
873	TPSA	57.5
12251749	Defined_Atom_Stereo_Count	0
44134800	Covalent_Unit_Count	5
3016754	Undefined_Atom_Stereo_Count	0
14587284	Mono_Isotopic_Weight	99.032028402
54068368	Hydrogen_Bond_Donor_Count	1
6015	Non-hydrogen_Atom_Count	27
288	Rotatable_Bond_Count	3
5281099	Defined_Atom_Stereo_Count	13
81923	Non-hydrogen_Atom_Count	9
23727689	Hydrogen_Bond_Donor_Count	1
5462814	Hydrogen_Bond_Donor_Count	2
21020205	Mono_Isotopic_Weight	99.9715923
56955933	Mono_Isotopic_Weight	79.9687389
71311382	Exact_Mass	246.198365449
5466987	Molecular_Weight	435.4
73246	Isotope_Atom_Count	0
131705644	Hydrogen_Bond_Donor_Count	8
118669896	Molecular_Weight	112.17
13319222	Non-hydrogen_Atom_Count	7
108150	Total_Formal_Charge	0
534471	Structure_Complexity	129
101894327	Exact_Mass	324.17254462
447153	Hydrogen_Bond_Donor_Count	1
92131803	Rotatable_Bond_Count	6
18730043	Non-hydrogen_Atom_Count	7
134688093	Isotope_Atom_Count	0
102372243	Hydrogen_Bond_Acceptor_Count	3
10269	Mono_Isotopic_Weight	236.177630004
26462	Total_Formal_Charge	0
135392883	Undefined_Atom_Stereo_Count	1
58265621	Non-hydrogen_Atom_Count	7
83095	Tautomer_Count	2
10901524	Non-hydrogen_Atom_Count	18
11927	Total_Formal_Charge	0
23690444	Hydrogen_Bond_Acceptor_Count	3
21696199	Undefined_Bond_Stereo_Count	0
59330719	Non-hydrogen_Atom_Count	8
88959440	Total_Formal_Charge	0
1466	Undefined_Bond_Stereo_Count	0
22878123	Mono_Isotopic_Weight	292.18858861
25273607	Rotatable_Bond_Count	6
19193	Molecular_Weight	109.13
6999801	Molecular_Weight	102.17
445461	Total_Formal_Charge	0
92041	Defined_Bond_Stereo_Count	0
54187438	Non-hydrogen_Atom_Count	7
10265934	Molecular_Weight	140.23
5330213	TPSA	76.6
54525833	Defined_Bond_Stereo_Count	0
7491	Mono_Isotopic_Weight	166.074227566
12376	XLogP3-AA	0
49792792	Molecular_Weight	358.5
319771	Non-hydrogen_Atom_Count	7
3496	Rotatable_Bond_Count	4
79025	Molecular_Weight	180.16
6436117	Exact_Mass	594.04097308
4627783	Undefined_Bond_Stereo_Count	0
6972	Hydrogen_Bond_Acceptor_Count	3
22635267	Molecular_Weight	360.65
367985	XLogP3-AA	2.9
123618563	Defined_Bond_Stereo_Count	0
9799246	Hydrogen_Bond_Donor_Count	0
42839	Total_Formal_Charge	0
7826	Mono_Isotopic_Weight	144.115029749
5487888	Mono_Isotopic_Weight	397.05146094
13838145	Total_Formal_Charge	0
3452818	Undefined_Bond_Stereo_Count	0
8398	Total_Formal_Charge	0
140982253	Hydrogen_Bond_Acceptor_Count	1
73376	Molecular_Weight	207.3
6175	Total_Formal_Charge	0
135414420	Defined_Bond_Stereo_Count	0
12210504	Defined_Atom_Stereo_Count	0
132594558	Undefined_Atom_Stereo_Count	1
18338555	XLogP3-AA	0.2
25137873	Molecular_Weight	767.0
9577585	Exact_Mass	303.0410689
8870	Molecular_Weight	129.59
122130	Tautomer_Count	12
10820486	Molecular_Weight	110.11
12385064	Undefined_Bond_Stereo_Count	0
20392754	Defined_Bond_Stereo_Count	0
78295	Exact_Mass	206.0134572
57734486	Defined_Bond_Stereo_Count	1
5076	Exact_Mass	720.31276100
16129710	Hydrogen_Bond_Donor_Count	24
3738	Isotope_Atom_Count	0
55560	Defined_Bond_Stereo_Count	0
17313	Molecular_Weight	148.63
53387026	Total_Formal_Charge	0
137268	Structure_Complexity	109
6918140	Undefined_Bond_Stereo_Count	0
138971591	Exact_Mass	108.057514874
55291451	Total_Formal_Charge	0
16682730	Hydrogen_Bond_Acceptor_Count	2
52598	Mono_Isotopic_Weight	372.15862589
68868	Covalent_Unit_Count	1
7855	Rotatable_Bond_Count	0
15174357	Covalent_Unit_Count	1
34725	Hydrogen_Bond_Donor_Count	2
19349372	Hydrogen_Bond_Acceptor_Count	1
162652	TPSA	93.4
51253	Undefined_Bond_Stereo_Count	0
22401764	XLogP3-AA	0.2
76223135	Rotatable_Bond_Count	0
498716	Hydrogen_Bond_Donor_Count	0
68535	Non-hydrogen_Atom_Count	6
107782	Hydrogen_Bond_Donor_Count	4
10898660	Exact_Mass	101.084063974
2883813	Exact_Mass	299.11575802
13531445	Exact_Mass	101.047678466
67210	TPSA	126
28118	Covalent_Unit_Count	2
135983	Isotope_Atom_Count	0
25211988	XLogP3-AA	2
6364626	Undefined_Atom_Stereo_Count	0
96543	Undefined_Bond_Stereo_Count	0
197856	Defined_Bond_Stereo_Count	0
6606	TPSA	20.2
19879	Molecular_Weight	234.28
130324566	Total_Formal_Charge	0
31005	Hydrogen_Bond_Acceptor_Count	2
824060	Covalent_Unit_Count	1
89349947	Non-hydrogen_Atom_Count	8
12699161	Rotatable_Bond_Count	0
4919	Hydrogen_Bond_Donor_Count	1
90581	Non-hydrogen_Atom_Count	6
12477	XLogP3	2.1
56928187	Hydrogen_Bond_Acceptor_Count	10
5460337	Defined_Bond_Stereo_Count	0
92094	Hydrogen_Bond_Acceptor_Count	2
13631121	Structure_Complexity	72.2
9869218	Mono_Isotopic_Weight	467.1247985
984821	Total_Formal_Charge	0
64994767	Covalent_Unit_Count	1
5289295	Tautomer_Count	1
194777	Total_Formal_Charge	0
447626	Covalent_Unit_Count	2
57927	Non-hydrogen_Atom_Count	22
43515	Tautomer_Count	12
493	Hydrogen_Bond_Acceptor_Count	21
25608	Non-hydrogen_Atom_Count	12
10888051	Isotope_Atom_Count	0
637084	Total_Formal_Charge	0
76658	Non-hydrogen_Atom_Count	13
11236353	Exact_Mass	453.13584202
11662332	XLogP3-AA	2.6
68548	Undefined_Bond_Stereo_Count	0
129856110	Hydrogen_Bond_Donor_Count	4
6347538	Rotatable_Bond_Count	8
123462301	TPSA	48
9812	Molecular_Weight	229.25
10242	Structure_Complexity	327
25235747	Defined_Bond_Stereo_Count	0
5153297	Molecular_Weight	130.13
12542086	Defined_Bond_Stereo_Count	0
40960	XLogP3	4.6
60155100	Hydrogen_Bond_Acceptor_Count	7
85843728	Hydrogen_Bond_Donor_Count	0
117781134	Non-hydrogen_Atom_Count	14
10476	XLogP3-AA	1.1
692670	Structure_Complexity	432
24530	Mono_Isotopic_Weight	43.017047045
16404350	Undefined_Atom_Stereo_Count	9
5384876	Exact_Mass	653.21084017
67259771	Rotatable_Bond_Count	9
51039095	Total_Formal_Charge	0
9153	Non-hydrogen_Atom_Count	20
520	XLogP3-AA	2.4
13668	Hydrogen_Bond_Donor_Count	3
10433	Defined_Bond_Stereo_Count	0
541661	Undefined_Bond_Stereo_Count	0
6451450	Mono_Isotopic_Weight	114.068079557
135476770	Defined_Bond_Stereo_Count	0
9264	Undefined_Atom_Stereo_Count	0
21942008	Undefined_Bond_Stereo_Count	0
5362712	Total_Formal_Charge	0
68210102	Defined_Bond_Stereo_Count	0
5160	Isotope_Atom_Count	0
129627923	Non-hydrogen_Atom_Count	17
15626755	Molecular_Weight	112.13
167980	Hydrogen_Bond_Donor_Count	2
10900	Tautomer_Count	1
146356470	Covalent_Unit_Count	1
10161315	XLogP3-AA	4.5
157610150	Undefined_Atom_Stereo_Count	2
6843	XLogP3	3.1
4720	Defined_Bond_Stereo_Count	0
446156	Mono_Isotopic_Weight	459.24210135
11196935	Hydrogen_Bond_Acceptor_Count	2
5065	Hydrogen_Bond_Acceptor_Count	11
7077	Structure_Complexity	235
34303	XLogP3-AA	6.4
49849523	Structure_Complexity	415
71541293	Exact_Mass	245.141578849
456058	Molecular_Weight	735.0
5288269	Total_Formal_Charge	0
800463	Undefined_Atom_Stereo_Count	0
28950993	Total_Formal_Charge	0
57358493	Tautomer_Count	36
24916869	Hydrogen_Bond_Acceptor_Count	5
16686	TPSA	0
84975	Tautomer_Count	1
131750287	Hydrogen_Bond_Acceptor_Count	9
13713368	TPSA	32.8
6328657	Undefined_Atom_Stereo_Count	0
58980176	Mono_Isotopic_Weight	110.109550447
24972541	Total_Formal_Charge	0
10031428	Exact_Mass	595.21409234
90701	Undefined_Bond_Stereo_Count	0
20859	Exact_Mass	104.083729621
12542141	Defined_Atom_Stereo_Count	0
247769	TPSA	26
22385449	Defined_Atom_Stereo_Count	0
71663	Undefined_Bond_Stereo_Count	2
14223	Defined_Bond_Stereo_Count	0
3203	Exact_Mass	315.0273907
34231	XLogP3-AA	2.3
85328	Molecular_Weight	277.28
40666	Hydrogen_Bond_Donor_Count	1
61059	Hydrogen_Bond_Donor_Count	2
153989152	Molecular_Weight	111.10
519666	Structure_Complexity	135
18177	Defined_Bond_Stereo_Count	0
53667465	Structure_Complexity	89.9
78297	TPSA	115
36832	Non-hydrogen_Atom_Count	8
115763542	Mono_Isotopic_Weight	99.032028402
11514319	Defined_Atom_Stereo_Count	0
70122	Isotope_Atom_Count	0
44144456	Molecular_Weight	56.35
69807449	Mono_Isotopic_Weight	110.084398327
5169	Covalent_Unit_Count	1
44644	Tautomer_Count	1
107947	Total_Formal_Charge	0
122198140	Undefined_Bond_Stereo_Count	0
16692	Structure_Complexity	254
26445	Isotope_Atom_Count	0
91434	Isotope_Atom_Count	0
5281116	Undefined_Atom_Stereo_Count	0
57179768	Hydrogen_Bond_Donor_Count	1
141738	Non-hydrogen_Atom_Count	7
46203139	Defined_Atom_Stereo_Count	9
82145	Hydrogen_Bond_Acceptor_Count	2
15679	Exact_Mass	288.04160728
9840517	Hydrogen_Bond_Donor_Count	4
136375	Non-hydrogen_Atom_Count	7
10931371	Mono_Isotopic_Weight	97.089149355
905275	Defined_Atom_Stereo_Count	0
117968974	Undefined_Bond_Stereo_Count	0
1189	Rotatable_Bond_Count	2
122239	Defined_Bond_Stereo_Count	0
9808844	Rotatable_Bond_Count	6
15808	Non-hydrogen_Atom_Count	15
15673	Isotope_Atom_Count	0
4340561	Isotope_Atom_Count	0
23678597	Total_Formal_Charge	0
43984	Non-hydrogen_Atom_Count	27
9841972	XLogP3-AA	0.9
129635886	Hydrogen_Bond_Donor_Count	3
5282315	Non-hydrogen_Atom_Count	58
59058905	Molecular_Weight	112.09
230976	TPSA	89.2
11083834	Undefined_Bond_Stereo_Count	0
71339534	Structure_Complexity	415
72416	TPSA	46.2
8663	Non-hydrogen_Atom_Count	11
146701269	Rotatable_Bond_Count	1
6625	XLogP3	3.9
73881	Undefined_Atom_Stereo_Count	0
26130	Non-hydrogen_Atom_Count	10
83966	Undefined_Atom_Stereo_Count	0
87280027	Exact_Mass	112.027277375
13315542	Covalent_Unit_Count	1
13931173	Hydrogen_Bond_Acceptor_Count	2
10130120	Defined_Bond_Stereo_Count	0
5280878	Mono_Isotopic_Weight	496.26070817
21998472	Non-hydrogen_Atom_Count	15
5104	Rotatable_Bond_Count	1
87532690	Structure_Complexity	83.4
22078	Defined_Bond_Stereo_Count	0
17864	Molecular_Weight	152.03
2434	Hydrogen_Bond_Acceptor_Count	14
9800068	Hydrogen_Bond_Acceptor_Count	7
71300750	TPSA	224
64033	Hydrogen_Bond_Acceptor_Count	5
89089	Structure_Complexity	325
373735	Rotatable_Bond_Count	8
7949	Undefined_Atom_Stereo_Count	0
1712094	Defined_Atom_Stereo_Count	0
52542	Total_Formal_Charge	0
58097518	Hydrogen_Bond_Acceptor_Count	2
52921770	Mono_Isotopic_Weight	296.271530387
5280483	Covalent_Unit_Count	1
13329881	Undefined_Atom_Stereo_Count	2
10108830	XLogP3-AA	1.7
88027139	Defined_Atom_Stereo_Count	0
54245381	Exact_Mass	118.099379685
42540	TPSA	18.5
118121642	Molecular_Weight	110.11
78596	Defined_Bond_Stereo_Count	0
143888994	Isotope_Atom_Count	0
431630	Molecular_Weight	100.12
9576811	Exact_Mass	353.12229995
448043	Exact_Mass	319.13544809
9888347	Rotatable_Bond_Count	6
20206342	Molecular_Weight	83.09
4996382	Isotope_Atom_Count	0
64824	Structure_Complexity	717
17963363	Non-hydrogen_Atom_Count	34
763185	Mono_Isotopic_Weight	254.178298710
20542700	TPSA	52.5
6931	XLogP3	2.8
10231	Isotope_Atom_Count	0
11539562	Undefined_Atom_Stereo_Count	0
123489618	Undefined_Bond_Stereo_Count	0
2581	Hydrogen_Bond_Donor_Count	2
3085218	Structure_Complexity	345
74952	Hydrogen_Bond_Acceptor_Count	0
68678	Undefined_Bond_Stereo_Count	0
7015191	Hydrogen_Bond_Acceptor_Count	2
9708	Defined_Bond_Stereo_Count	0
71306720	Defined_Atom_Stereo_Count	10
11832800	Defined_Atom_Stereo_Count	0
53316418	Hydrogen_Bond_Acceptor_Count	11
152743428	Undefined_Atom_Stereo_Count	0
18048	Total_Formal_Charge	0
2723601	Rotatable_Bond_Count	0
68647	Hydrogen_Bond_Acceptor_Count	2
77603	XLogP3-AA	0.5
2674	Rotatable_Bond_Count	6
65174649	Defined_Bond_Stereo_Count	0
44284481	Exact_Mass	2491.0220087
21152	Rotatable_Bond_Count	3
48918	Non-hydrogen_Atom_Count	20
11475	Non-hydrogen_Atom_Count	9
28936	TPSA	46.5
40512	Mono_Isotopic_Weight	216.14739250
65773	Defined_Bond_Stereo_Count	0
144179158	TPSA	0
4726	Covalent_Unit_Count	1
131632347	Covalent_Unit_Count	1
24181476	Hydrogen_Bond_Donor_Count	1
23622607	Defined_Atom_Stereo_Count	10
51001299	Mono_Isotopic_Weight	375.15513817
118540789	Hydrogen_Bond_Donor_Count	1
18952320	Total_Formal_Charge	0
11957654	Covalent_Unit_Count	2
98051220	Isotope_Atom_Count	0
643981	Defined_Bond_Stereo_Count	0
14511497	Covalent_Unit_Count	1
44521023	XLogP3-AA	4.6
120741	Non-hydrogen_Atom_Count	24
86350	Undefined_Bond_Stereo_Count	0
105037	Tautomer_Count	1
24066917	Structure_Complexity	198
90703052	Undefined_Atom_Stereo_Count	0
101365708	TPSA	71.5
6918543	Total_Formal_Charge	0
31215	Exact_Mass	166.07588133
126969105	XLogP3	3.7
21998683	Structure_Complexity	80.2
60789	Defined_Atom_Stereo_Count	1
950975	Defined_Atom_Stereo_Count	0
14626842	Molecular_Weight	420.5
13472	Defined_Bond_Stereo_Count	0
48845	Covalent_Unit_Count	1
13027931	Non-hydrogen_Atom_Count	8
57549	Defined_Bond_Stereo_Count	0
66636	Total_Formal_Charge	0
3003004	Undefined_Atom_Stereo_Count	0
12847949	Hydrogen_Bond_Donor_Count	1
67656913	Rotatable_Bond_Count	1
3094	Mono_Isotopic_Weight	241.276950121
9216	Hydrogen_Bond_Acceptor_Count	2
58516110	Total_Formal_Charge	1
132779642	Total_Formal_Charge	0
17900281	Rotatable_Bond_Count	2
9254	Defined_Atom_Stereo_Count	0
443979	Molecular_Weight	388.5
4439	Molecular_Weight	751.0
56953649	Structure_Complexity	490
59050128	Molecular_Weight	111.15
162413	Undefined_Bond_Stereo_Count	0
6993205	Rotatable_Bond_Count	3
136738541	Non-hydrogen_Atom_Count	80
134694738	Structure_Complexity	514
9908783	Rotatable_Bond_Count	3
66295	Mono_Isotopic_Weight	84.057514874
13803506	Mono_Isotopic_Weight	108.093900383
6450813	Structure_Complexity	574
68296308	Defined_Bond_Stereo_Count	0
271218	XLogP3	2.9
20545753	Mono_Isotopic_Weight	105.078978594
203433	Exact_Mass	281.06228316
14180	Hydrogen_Bond_Acceptor_Count	8
3650	Structure_Complexity	183
651720	TPSA	95.7
60374	Rotatable_Bond_Count	3
12694695	Rotatable_Bond_Count	0
45484135	Rotatable_Bond_Count	12
7098680	Defined_Atom_Stereo_Count	2
27648	Tautomer_Count	1
11566378	Structure_Complexity	493
16212959	Defined_Bond_Stereo_Count	0
67656913	Undefined_Bond_Stereo_Count	0
1585857	Undefined_Atom_Stereo_Count	0
8492	Defined_Bond_Stereo_Count	0
14325614	Exact_Mass	105.078978594
96807	Defined_Atom_Stereo_Count	1
349957	Molecular_Weight	330.2
6419957	Exact_Mass	1456.4334786
139150	XLogP3-AA	1.6
9917968	Exact_Mass	684.52234258
128229	Mono_Isotopic_Weight	822.40378589
57928403	Molecular_Weight	326.4
5466139	Rotatable_Bond_Count	1
76280	TPSA	23.8
3018793	Defined_Atom_Stereo_Count	0
6918160	Mono_Isotopic_Weight	373.22530847
68809	Undefined_Bond_Stereo_Count	0
137747	Exact_Mass	52.0313001276
4271	Non-hydrogen_Atom_Count	31
2812423	Defined_Atom_Stereo_Count	0
54167752	Mono_Isotopic_Weight	95.94876769
9275	Total_Formal_Charge	0
36688118	Undefined_Atom_Stereo_Count	0
51030054	Hydrogen_Bond_Donor_Count	0
127053480	Total_Formal_Charge	0
5360349	Non-hydrogen_Atom_Count	11
1527	Isotope_Atom_Count	0
12487834	TPSA	40.9
60196318	Hydrogen_Bond_Acceptor_Count	2
163050683	Undefined_Atom_Stereo_Count	0
129851390	Hydrogen_Bond_Donor_Count	3
10991489	Rotatable_Bond_Count	4
129854350	Mono_Isotopic_Weight	110.048012819
18714263	Undefined_Bond_Stereo_Count	0
3034372	Total_Formal_Charge	0
23663954	Hydrogen_Bond_Donor_Count	0
2540	Hydrogen_Bond_Donor_Count	1
1241301	Exact_Mass	196.9371984
139081225	Covalent_Unit_Count	1
72200865	Mono_Isotopic_Weight	593.31615210
4454	Hydrogen_Bond_Donor_Count	13
225	Defined_Atom_Stereo_Count	0
165363357	Defined_Atom_Stereo_Count	7
10909501	Tautomer_Count	1
70401991	Covalent_Unit_Count	1
94462	Molecular_Weight	257.83
57692074	Hydrogen_Bond_Acceptor_Count	7
4369579	Defined_Atom_Stereo_Count	1
19778718	Non-hydrogen_Atom_Count	8
94097	Isotope_Atom_Count	0
17928	Defined_Atom_Stereo_Count	0
2128	Isotope_Atom_Count	0
6603720	Tautomer_Count	4
25750	TPSA	65.1
9942657	Undefined_Bond_Stereo_Count	0
71171	Non-hydrogen_Atom_Count	48
59886072	TPSA	110
41428	Undefined_Bond_Stereo_Count	0
10772946	Structure_Complexity	74.1
8629	Undefined_Atom_Stereo_Count	0
521863	Exact_Mass	120.00674260
71530	Structure_Complexity	294
3085877	Exact_Mass	164.058577502
26035	Molecular_Weight	326.5
970440	Non-hydrogen_Atom_Count	22
177085	Covalent_Unit_Count	1
81396	Undefined_Bond_Stereo_Count	0
66587064	Structure_Complexity	746
41020	Non-hydrogen_Atom_Count	30
54307121	Rotatable_Bond_Count	2
50993881	TPSA	117
20062980	XLogP3-AA	0.8
93538	Isotope_Atom_Count	0
15938963	Covalent_Unit_Count	1
124524515	Exact_Mass	342.11621151
87425008	Molecular_Weight	349.2
640759	Molecular_Weight	131.17
126961192	Undefined_Bond_Stereo_Count	0
44456889	Mono_Isotopic_Weight	271.04807239
60196433	Molecular_Weight	894.0
129	Defined_Atom_Stereo_Count	0
412781	Undefined_Bond_Stereo_Count	0
24867454	Mono_Isotopic_Weight	649.7822
20605239	Rotatable_Bond_Count	0
9915743	Undefined_Atom_Stereo_Count	0
21285	Covalent_Unit_Count	2
41020	TPSA	49.2
3268	Non-hydrogen_Atom_Count	33
10498042	Rotatable_Bond_Count	5
67938791	Hydrogen_Bond_Acceptor_Count	6
635911	Exact_Mass	590.31043507
786892	TPSA	67.8
53956290	Non-hydrogen_Atom_Count	27
60714	Defined_Atom_Stereo_Count	0
73584	Mono_Isotopic_Weight	307.15320616
10220511	Rotatable_Bond_Count	0
22138511	Tautomer_Count	1
54675757	Undefined_Atom_Stereo_Count	0
131801471	Molecular_Weight	7127
12452686	Hydrogen_Bond_Acceptor_Count	2
31492	Structure_Complexity	120
22129037	Non-hydrogen_Atom_Count	8
54746485	Hydrogen_Bond_Donor_Count	7
29976	Undefined_Bond_Stereo_Count	0
285097	Non-hydrogen_Atom_Count	13
40469210	Undefined_Atom_Stereo_Count	0
126963444	TPSA	356
95890	Hydrogen_Bond_Donor_Count	0
12465674	Undefined_Atom_Stereo_Count	2
8185	Molecular_Weight	170.29
14202705	Isotope_Atom_Count	0
70421410	Hydrogen_Bond_Acceptor_Count	3
57340110	Defined_Atom_Stereo_Count	0
3878721	XLogP3-AA	1.9
634470	Defined_Atom_Stereo_Count	0
16363	Isotope_Atom_Count	0
92888	Total_Formal_Charge	0
8693	Total_Formal_Charge	0
6395	Hydrogen_Bond_Acceptor_Count	3
12359154	Undefined_Atom_Stereo_Count	0
413552	Total_Formal_Charge	0
26798	Hydrogen_Bond_Donor_Count	1
9378	Isotope_Atom_Count	0
66026334	Non-hydrogen_Atom_Count	8
439373	Mono_Isotopic_Weight	178.04773803
622435	Defined_Bond_Stereo_Count	0
54575456	Covalent_Unit_Count	1
5375048	Rotatable_Bond_Count	2
12242916	Hydrogen_Bond_Acceptor_Count	0
6975516	Isotope_Atom_Count	0
163325	Non-hydrogen_Atom_Count	6
59167199	Molecular_Weight	110.20
57401684	Isotope_Atom_Count	0
150899	Undefined_Atom_Stereo_Count	0
10240769	Rotatable_Bond_Count	3
58072202	TPSA	26.3
70544	Tautomer_Count	4
123854	Isotope_Atom_Count	0
12581088	Isotope_Atom_Count	0
88983	Defined_Bond_Stereo_Count	0
25008765	Undefined_Atom_Stereo_Count	0
10186986	TPSA	105
32816	Hydrogen_Bond_Donor_Count	2
101205708	Rotatable_Bond_Count	62
129796414	Mono_Isotopic_Weight	177.02483502
6321412	XLogP3	0.2
70425	Exact_Mass	382.13339621
10997120	Isotope_Atom_Count	0
27893	Undefined_Atom_Stereo_Count	1
29877	Mono_Isotopic_Weight	180.089877630
13059052	Hydrogen_Bond_Donor_Count	2
69333790	Undefined_Atom_Stereo_Count	0
3081387	Undefined_Bond_Stereo_Count	0
93847	Structure_Complexity	264
57174031	Defined_Atom_Stereo_Count	1
15739356	Undefined_Atom_Stereo_Count	0
17778639	Molecular_Weight	84.12
73185506	Undefined_Bond_Stereo_Count	1
139986	Non-hydrogen_Atom_Count	7
139692	Covalent_Unit_Count	1
144550270	Rotatable_Bond_Count	0
19001504	Undefined_Bond_Stereo_Count	0
2762280	Non-hydrogen_Atom_Count	21
445258	XLogP3	2.3
66532	Covalent_Unit_Count	1
2345	TPSA	26.3
657251	Hydrogen_Bond_Acceptor_Count	7
5334356	Hydrogen_Bond_Acceptor_Count	4
14435951	XLogP3-AA	0.5
101297691	Defined_Bond_Stereo_Count	0
53346493	Non-hydrogen_Atom_Count	23
135449284	Undefined_Atom_Stereo_Count	3
4345	Molecular_Weight	361.5
9690	Isotope_Atom_Count	0
23434975	Covalent_Unit_Count	1
32756	TPSA	273
16020938	Hydrogen_Bond_Donor_Count	1
61141	Defined_Atom_Stereo_Count	0
5321948	Hydrogen_Bond_Acceptor_Count	5
637921	Total_Formal_Charge	0
19601937	Total_Formal_Charge	0
702015	Structure_Complexity	352
5311493	Undefined_Bond_Stereo_Count	0
439156	Covalent_Unit_Count	1
5619	Defined_Atom_Stereo_Count	0
12085802	Defined_Atom_Stereo_Count	5
24967621	Rotatable_Bond_Count	7
921	Covalent_Unit_Count	1
10163178	Structure_Complexity	702
443003	TPSA	60.8
23667546	Defined_Atom_Stereo_Count	3
63958	Total_Formal_Charge	0
18458	Rotatable_Bond_Count	2
21770	TPSA	17.8
3083540	Tautomer_Count	1
112932	Isotope_Atom_Count	0
611446	Hydrogen_Bond_Acceptor_Count	0
42665	Non-hydrogen_Atom_Count	12
11960529	Hydrogen_Bond_Acceptor_Count	3
89395924	Hydrogen_Bond_Donor_Count	1
35367	Exact_Mass	112.125200510
19774759	Exact_Mass	114.079312947
97725	TPSA	83.6
721436	Defined_Atom_Stereo_Count	1
20080634	Structure_Complexity	88.5
12130	Tautomer_Count	1
83949	Hydrogen_Bond_Acceptor_Count	13
7587	Defined_Bond_Stereo_Count	0
11784975	Tautomer_Count	2
5282768	Covalent_Unit_Count	1
3673	Hydrogen_Bond_Donor_Count	0
25683	Non-hydrogen_Atom_Count	16
14380	Defined_Atom_Stereo_Count	0
13351229	Hydrogen_Bond_Donor_Count	2
83797	Tautomer_Count	5
14546681	Undefined_Bond_Stereo_Count	0
50888	Hydrogen_Bond_Donor_Count	2
53315103	Non-hydrogen_Atom_Count	28
44623071	XLogP3-AA	0.6
4630917	Undefined_Bond_Stereo_Count	0
6977166	Hydrogen_Bond_Acceptor_Count	1
16064	Hydrogen_Bond_Acceptor_Count	3
10044	Covalent_Unit_Count	1
71358911	Non-hydrogen_Atom_Count	8
88464430	Non-hydrogen_Atom_Count	8
119583	Exact_Mass	613.1838501
65914	Tautomer_Count	4
55	Mono_Isotopic_Weight	654.53758147
9847	XLogP3-AA	1.2
90066559	Undefined_Atom_Stereo_Count	2
71309503	Hydrogen_Bond_Acceptor_Count	6
26799	Non-hydrogen_Atom_Count	21
19540	TPSA	0
6722	Tautomer_Count	6
3085129	Non-hydrogen_Atom_Count	29
73847	Structure_Complexity	163
11194	Mono_Isotopic_Weight	98.073164938
102752	Undefined_Atom_Stereo_Count	1
74680	Hydrogen_Bond_Acceptor_Count	2
5702238	Undefined_Bond_Stereo_Count	0
5059	Defined_Atom_Stereo_Count	0
21872570	Defined_Atom_Stereo_Count	0
67940	Undefined_Bond_Stereo_Count	0
6015	Undefined_Atom_Stereo_Count	1
87140770	Undefined_Atom_Stereo_Count	1
12734569	Defined_Bond_Stereo_Count	0
11357	Mono_Isotopic_Weight	121.089149355
86277	Molecular_Weight	304.73
11441554	Undefined_Atom_Stereo_Count	0
441277	Molecular_Weight	321.9
91129494	TPSA	192
9993573	Exact_Mass	276.02700259
124328800	Covalent_Unit_Count	1
153305234	Defined_Bond_Stereo_Count	0
71733	Molecular_Weight	261.36
9814448	Tautomer_Count	2
70069	Structure_Complexity	669
16669	Non-hydrogen_Atom_Count	14
58853091	Exact_Mass	100.088815002
95162416	Molecular_Weight	342.30
18757800	Total_Formal_Charge	0
144404363	Structure_Complexity	102
19094	Isotope_Atom_Count	0
55290197	Hydrogen_Bond_Donor_Count	2
93203	Hydrogen_Bond_Acceptor_Count	4
10175096	Defined_Bond_Stereo_Count	0
92158	Structure_Complexity	807
72493	Structure_Complexity	1090
90997437	Covalent_Unit_Count	1
444020	Defined_Bond_Stereo_Count	0
122087	TPSA	46.2
49853967	Mono_Isotopic_Weight	392.08644947
98633	Isotope_Atom_Count	0
61329	Rotatable_Bond_Count	3
60919	Molecular_Weight	411.5
22648408	Hydrogen_Bond_Donor_Count	2
25243830	Covalent_Unit_Count	1
32040	Covalent_Unit_Count	1
54690031	Hydrogen_Bond_Acceptor_Count	7
5367412	Mono_Isotopic_Weight	150.140850574
21282995	XLogP3-AA	0.2
44408641	Hydrogen_Bond_Donor_Count	2
227244	Mono_Isotopic_Weight	71.073499291
102592515	Covalent_Unit_Count	1
34768	Undefined_Atom_Stereo_Count	0
88287569	Undefined_Atom_Stereo_Count	2
12103	Structure_Complexity	83
17907809	Defined_Bond_Stereo_Count	0
13924394	Hydrogen_Bond_Acceptor_Count	2
5384293	Covalent_Unit_Count	1
3796640	Undefined_Bond_Stereo_Count	0
8560	Undefined_Bond_Stereo_Count	0
344693	Hydrogen_Bond_Donor_Count	1
3083544	Defined_Atom_Stereo_Count	2
71622385	XLogP3-AA	1.3
4290	XLogP3	1
12732836	Defined_Bond_Stereo_Count	0
4284720	Undefined_Atom_Stereo_Count	1
12387212	Defined_Bond_Stereo_Count	0
237413	Defined_Atom_Stereo_Count	2
88666	TPSA	35.2
498716	Exact_Mass	40.0358543
123653016	Undefined_Atom_Stereo_Count	0
54427	Mono_Isotopic_Weight	263.105862047
677	Tautomer_Count	1
5311047	Undefined_Atom_Stereo_Count	0
53318420	Mono_Isotopic_Weight	434.11227030
6099917	Covalent_Unit_Count	4
4564493	Tautomer_Count	8
5702183	Exact_Mass	554.05420021
16180	Defined_Bond_Stereo_Count	0
92421	Molecular_Weight	252.26
123298786	Covalent_Unit_Count	1
136649153	Hydrogen_Bond_Acceptor_Count	3
87147109	Isotope_Atom_Count	0
129651417	Rotatable_Bond_Count	0
22398442	Non-hydrogen_Atom_Count	8
73946427	Defined_Bond_Stereo_Count	2
64432	XLogP3-AA	3
143683872	Defined_Atom_Stereo_Count	0
6736	Undefined_Bond_Stereo_Count	0
135484176	Rotatable_Bond_Count	17
136791	Covalent_Unit_Count	1
83045	Isotope_Atom_Count	0
567	Exact_Mass	279.009769
6067	Tautomer_Count	1
86287524	TPSA	17.1
18600	Non-hydrogen_Atom_Count	22
53906657	Hydrogen_Bond_Acceptor_Count	2
61661	Defined_Bond_Stereo_Count	0
198016	Undefined_Atom_Stereo_Count	3
5311356	Molecular_Weight	398.5
141411141	Isotope_Atom_Count	0
24883429	Structure_Complexity	819
3679	Covalent_Unit_Count	1
130027214	Total_Formal_Charge	0
153386581	Non-hydrogen_Atom_Count	7
1006	Covalent_Unit_Count	1
14798	Exact_Mass	39.99250893
57401205	Undefined_Atom_Stereo_Count	1
45794	Defined_Bond_Stereo_Count	0
108156	Hydrogen_Bond_Acceptor_Count	7
11550004	Undefined_Bond_Stereo_Count	0
13413802	Hydrogen_Bond_Acceptor_Count	2
38911	Undefined_Atom_Stereo_Count	0
78596	Isotope_Atom_Count	0
11241863	Undefined_Bond_Stereo_Count	0
18283	Rotatable_Bond_Count	2
25142970	Undefined_Atom_Stereo_Count	0
70810	Rotatable_Bond_Count	1
6710776	TPSA	122
5281426	Hydrogen_Bond_Donor_Count	1
6386	Structure_Complexity	25.1
242426	Isotope_Atom_Count	0
261075	Rotatable_Bond_Count	4
581	Structure_Complexity	148
35405	Undefined_Bond_Stereo_Count	0
50990560	Exact_Mass	842.51400504
12644714	Non-hydrogen_Atom_Count	8
72221005	Molecular_Weight	95.10
129317940	Mono_Isotopic_Weight	412.16814520
4871	Defined_Atom_Stereo_Count	0
3443	XLogP3-AA	5.5
12500500	Hydrogen_Bond_Acceptor_Count	2
18698	Tautomer_Count	2
71068	Mono_Isotopic_Weight	344.07970687
3694035	Exact_Mass	107.048347172
16760139	Mono_Isotopic_Weight	152.01126970
11346	Structure_Complexity	197
52165	Structure_Complexity	523
23677992	Tautomer_Count	4
6809	Hydrogen_Bond_Donor_Count	1
5278	Exact_Mass	390.00153
12150	Mono_Isotopic_Weight	138.068079557
332	Defined_Atom_Stereo_Count	0
479	Structure_Complexity	284
35901875	Rotatable_Bond_Count	3
21917310	Tautomer_Count	1
10432339	Hydrogen_Bond_Acceptor_Count	6
12705074	Undefined_Bond_Stereo_Count	0
22753628	Undefined_Atom_Stereo_Count	0
132549482	XLogP3-AA	9
442070	Non-hydrogen_Atom_Count	26
103023	Undefined_Atom_Stereo_Count	3
54317152	TPSA	45.4
102594	Non-hydrogen_Atom_Count	7
5905	Structure_Complexity	386
643981	Isotope_Atom_Count	0
668081	Molecular_Weight	328.4
84506	Undefined_Atom_Stereo_Count	0
8269	Total_Formal_Charge	0
24769	Structure_Complexity	90.2
117295	Defined_Bond_Stereo_Count	0
23667651	Rotatable_Bond_Count	4
14074	Hydrogen_Bond_Donor_Count	1
90469695	Undefined_Bond_Stereo_Count	0
60943	Molecular_Weight	620.5
123662875	Undefined_Bond_Stereo_Count	0
13711	Non-hydrogen_Atom_Count	16
6857537	Defined_Atom_Stereo_Count	2
9031	Molecular_Weight	259.68
439456	Total_Formal_Charge	0
18062	Structure_Complexity	167
2649	Hydrogen_Bond_Donor_Count	4
6426854	XLogP3-AA	6.6
135413553	Non-hydrogen_Atom_Count	21
3035914	Molecular_Weight	258.32
23350	Total_Formal_Charge	0
44454985	Hydrogen_Bond_Acceptor_Count	11
443376	Rotatable_Bond_Count	24
11789342	Isotope_Atom_Count	0
5378597	Undefined_Bond_Stereo_Count	0
9258	Total_Formal_Charge	0
57756	Defined_Atom_Stereo_Count	0
87365092	Molecular_Weight	152.19
20784398	TPSA	9.2
123723	Defined_Atom_Stereo_Count	1
25612	Structure_Complexity	78.9
717	Rotatable_Bond_Count	4
4133	TPSA	46.5
54166403	Covalent_Unit_Count	1
58208	Total_Formal_Charge	0
53682689	Undefined_Atom_Stereo_Count	2
13684986	Total_Formal_Charge	0
10996979	Covalent_Unit_Count	1
13704283	Undefined_Bond_Stereo_Count	0
7915	Molecular_Weight	102.13
108078	Covalent_Unit_Count	1
33094	Molecular_Weight	150.17
91256663	Exact_Mass	108.057514874
22123753	Rotatable_Bond_Count	4
29773	Total_Formal_Charge	0
11194316	Exact_Mass	116.047344113
102119819	Hydrogen_Bond_Acceptor_Count	5
140999	Mono_Isotopic_Weight	85.089149355
135457035	Hydrogen_Bond_Donor_Count	2
12958096	Total_Formal_Charge	0
1808	Undefined_Bond_Stereo_Count	0
198136	Undefined_Bond_Stereo_Count	0
3856780	Exact_Mass	231.02800565
59277791	Exact_Mass	112.063662883
9839243	Undefined_Atom_Stereo_Count	0
6443803	Isotope_Atom_Count	0
2734664	Exact_Mass	140.065741536
62817	Structure_Complexity	152
123134263	Rotatable_Bond_Count	15
3482	Rotatable_Bond_Count	1
22150757	Defined_Atom_Stereo_Count	0
6441082	Tautomer_Count	2
118572065	Covalent_Unit_Count	1
135925739	Total_Formal_Charge	0
9859	Isotope_Atom_Count	0
18406174	Hydrogen_Bond_Acceptor_Count	2
7937	Rotatable_Bond_Count	0
12514206	Mono_Isotopic_Weight	106.053098200
10325129	Undefined_Atom_Stereo_Count	1
44224136	Mono_Isotopic_Weight	381.21647512
66342	Mono_Isotopic_Weight	292.121177757
5257127	Structure_Complexity	37.4
54362	Total_Formal_Charge	0
6057875	Mono_Isotopic_Weight	665.30474055
131632475	Undefined_Atom_Stereo_Count	1
34949	Molecular_Weight	304.6
10493	Molecular_Weight	548.7
76140	XLogP3-AA	10.4
69982	Hydrogen_Bond_Acceptor_Count	3
23678802	Undefined_Bond_Stereo_Count	0
10017965	TPSA	62.3
6439447	Undefined_Atom_Stereo_Count	0
556485	Mono_Isotopic_Weight	112.088815002
5299	Defined_Atom_Stereo_Count	0
441853	Undefined_Atom_Stereo_Count	0
163652705	Hydrogen_Bond_Donor_Count	1
3033673	Rotatable_Bond_Count	5
4397	Structure_Complexity	509
15099876	Isotope_Atom_Count	0
164633	Defined_Atom_Stereo_Count	2
136838	Structure_Complexity	86.6
9841259	Undefined_Atom_Stereo_Count	0
93205	Rotatable_Bond_Count	6
219105	Structure_Complexity	116
58806257	Defined_Bond_Stereo_Count	0
46244454	Undefined_Atom_Stereo_Count	0
83478541	TPSA	26.3
8621	Exact_Mass	189.9952203
6993773	Covalent_Unit_Count	1
5486209	Undefined_Atom_Stereo_Count	0
699	Hydrogen_Bond_Acceptor_Count	5
86439	TPSA	90.6
97832	Molecular_Weight	100.12
91635	Molecular_Weight	360.9
3686	TPSA	72.8
23056	Non-hydrogen_Atom_Count	25
519842	XLogP3-AA	1.7
23087	TPSA	50.1
35740	Isotope_Atom_Count	0
73707427	Hydrogen_Bond_Donor_Count	3
2228691	Hydrogen_Bond_Acceptor_Count	5
21428	XLogP3	2.1
21894	Mono_Isotopic_Weight	136.027277375
166473353	Structure_Complexity	94.7
89445694	XLogP3-AA	0.4
141761	Rotatable_Bond_Count	0
460602	Molecular_Weight	495.6
41282	Hydrogen_Bond_Acceptor_Count	0
443311	Structure_Complexity	680
758	Non-hydrogen_Atom_Count	80
5284623	Hydrogen_Bond_Acceptor_Count	14
2468	Total_Formal_Charge	0
77463	TPSA	9.7
154518019	Non-hydrogen_Atom_Count	6
71652	Covalent_Unit_Count	1
146461	Undefined_Atom_Stereo_Count	0
2724537	Exact_Mass	73.089149355
135974	Covalent_Unit_Count	1
139593411	Non-hydrogen_Atom_Count	140
57364	Hydrogen_Bond_Donor_Count	2
12546243	Undefined_Atom_Stereo_Count	0
55289386	Total_Formal_Charge	0
15940870	Exact_Mass	232.109944368
10349	Undefined_Bond_Stereo_Count	0
10411334	Defined_Bond_Stereo_Count	0
8983	Undefined_Atom_Stereo_Count	0
69370	Non-hydrogen_Atom_Count	8
139584807	Isotope_Atom_Count	0
2453568	Defined_Bond_Stereo_Count	0
446596	Defined_Bond_Stereo_Count	1
347748	Hydrogen_Bond_Donor_Count	1
13549438	Undefined_Bond_Stereo_Count	0
65955	Defined_Atom_Stereo_Count	0
636523	Non-hydrogen_Atom_Count	16
4092	Undefined_Atom_Stereo_Count	1
43986	TPSA	26.8
2832	Isotope_Atom_Count	0
1317	Mono_Isotopic_Weight	172.193948774
19067998	Undefined_Bond_Stereo_Count	0
21675991	Hydrogen_Bond_Donor_Count	0
73707684	Structure_Complexity	79.8
3365553	Defined_Atom_Stereo_Count	0
10236	Undefined_Bond_Stereo_Count	0
87476740	Undefined_Atom_Stereo_Count	0
71416	Hydrogen_Bond_Donor_Count	1
4722595	Defined_Bond_Stereo_Count	0
21158	Undefined_Bond_Stereo_Count	0
11749756	Rotatable_Bond_Count	10
235905	Tautomer_Count	1
1548953	Covalent_Unit_Count	1
6129	Defined_Atom_Stereo_Count	0
5064267	Exact_Mass	405.99294301
123803633	Molecular_Weight	342.30
4962	XLogP3-AA	0.7
78972	Defined_Bond_Stereo_Count	0
3397	Isotope_Atom_Count	0
167266	Hydrogen_Bond_Donor_Count	2
21343371	Mono_Isotopic_Weight	84.057514874
5496539	Total_Formal_Charge	1
10034603	Tautomer_Count	1
23394557	Total_Formal_Charge	0
5357349	Exact_Mass	101.084063974
258618	Hydrogen_Bond_Acceptor_Count	1
64769	Defined_Bond_Stereo_Count	0
2858	Non-hydrogen_Atom_Count	61
5312	Structure_Complexity	183
95578	Exact_Mass	208.00989
24916843	Non-hydrogen_Atom_Count	47
3651377	Undefined_Atom_Stereo_Count	0
260809	Rotatable_Bond_Count	0
5352435	Non-hydrogen_Atom_Count	14
168299	Tautomer_Count	1
3740	Molecular_Weight	1215.8
13220	Undefined_Atom_Stereo_Count	0
3976	Total_Formal_Charge	0
473148	Total_Formal_Charge	0
1548994	Hydrogen_Bond_Acceptor_Count	10
65905	Structure_Complexity	333
53313171	Hydrogen_Bond_Donor_Count	1
4913	Hydrogen_Bond_Donor_Count	2
6918558	Covalent_Unit_Count	1
49862577	Undefined_Atom_Stereo_Count	1
86322	Tautomer_Count	9
5078	Covalent_Unit_Count	1
70465919	Covalent_Unit_Count	1
5280343	Hydrogen_Bond_Donor_Count	5
749560	Covalent_Unit_Count	1
52393	Mono_Isotopic_Weight	339.1965069
62299	Defined_Atom_Stereo_Count	0
37910	Defined_Atom_Stereo_Count	0
91562173	Hydrogen_Bond_Acceptor_Count	4
115140	Covalent_Unit_Count	2
70276811	Defined_Atom_Stereo_Count	2
22507733	Structure_Complexity	52
115034	Total_Formal_Charge	0
5551	XLogP3-AA	7.9
90657760	Molecular_Weight	341.4
179334	TPSA	60.9
1476679	Molecular_Weight	333.4
19754146	Structure_Complexity	245
3332	Covalent_Unit_Count	1
56962215	Defined_Bond_Stereo_Count	0
2236	Exact_Mass	341.05355169
158032	TPSA	45.8
9283	Rotatable_Bond_Count	3
102452877	Molecular_Weight	106.16
21578704	Undefined_Atom_Stereo_Count	0
13850985	Defined_Bond_Stereo_Count	0
5363388	Hydrogen_Bond_Acceptor_Count	2
4970	Rotatable_Bond_Count	0
10102	Molecular_Weight	204.35
61896	Isotope_Atom_Count	0
60207207	Hydrogen_Bond_Acceptor_Count	2
3085281	Mono_Isotopic_Weight	752.77339506
19918535	Structure_Complexity	65.1
645691	Undefined_Atom_Stereo_Count	0
449619	TPSA	64.9
148763531	Undefined_Bond_Stereo_Count	0
153097190	XLogP3-AA	1.2
10920441	Total_Formal_Charge	0
3006315	Rotatable_Bond_Count	2
53846436	Structure_Complexity	688
136183544	Covalent_Unit_Count	3
20841747	Structure_Complexity	64.9
14258	Non-hydrogen_Atom_Count	19
69065	Hydrogen_Bond_Donor_Count	2
89378	Rotatable_Bond_Count	1
6454351	Tautomer_Count	1
9776841	XLogP3-AA	8.9
93	Undefined_Atom_Stereo_Count	0
14050	Undefined_Atom_Stereo_Count	1
13945	Rotatable_Bond_Count	4
34549	Tautomer_Count	2
4908365	XLogP3-AA	2.3
49862577	Molecular_Weight	426.5
29976098	Rotatable_Bond_Count	0
68570	Non-hydrogen_Atom_Count	20
66502	TPSA	167
442436	Rotatable_Bond_Count	11
529031	Covalent_Unit_Count	1
688378	Rotatable_Bond_Count	4
6432437	Rotatable_Bond_Count	1
5494425	Total_Formal_Charge	0
47491	Undefined_Bond_Stereo_Count	0
60702934	Covalent_Unit_Count	1
8191	Undefined_Bond_Stereo_Count	0
3281	Defined_Bond_Stereo_Count	0
22353206	Structure_Complexity	100
66647165	Structure_Complexity	42.8
49803313	Non-hydrogen_Atom_Count	40
135565610	Mono_Isotopic_Weight	458.15901982
216235	Undefined_Atom_Stereo_Count	0
4549	Hydrogen_Bond_Donor_Count	2
43860	Structure_Complexity	663
119025724	Undefined_Bond_Stereo_Count	0
447249	Non-hydrogen_Atom_Count	21
65487	Exact_Mass	571.30647189
51043	Undefined_Atom_Stereo_Count	0
2724505	TPSA	63.3
224244	Rotatable_Bond_Count	0
7940	Isotope_Atom_Count	0
57372628	Hydrogen_Bond_Acceptor_Count	3
11240433	TPSA	49.8
155087254	Defined_Atom_Stereo_Count	6
51030901	Rotatable_Bond_Count	5
265	Mono_Isotopic_Weight	837.15707506
5282230	Total_Formal_Charge	0
5289159	Undefined_Bond_Stereo_Count	0
46931005	Undefined_Atom_Stereo_Count	0
118193	Total_Formal_Charge	0
185457	Covalent_Unit_Count	1
60196390	Non-hydrogen_Atom_Count	19
53326688	XLogP3-AA	5.3
15038	Structure_Complexity	383
57680	Defined_Atom_Stereo_Count	0
10334	Isotope_Atom_Count	0
13007516	Rotatable_Bond_Count	1
9871	Hydrogen_Bond_Acceptor_Count	4
65902	Molecular_Weight	512.6
882889	XLogP3-AA	5
2354	Non-hydrogen_Atom_Count	21
12734569	Isotope_Atom_Count	0
129853863	Exact_Mass	266.260965704
60602	Rotatable_Bond_Count	11
44144829	Total_Formal_Charge	0
70916	Defined_Atom_Stereo_Count	0
82506	Molecular_Weight	192.21
154016567	Molecular_Weight	111.10
89390	Hydrogen_Bond_Donor_Count	2
10664	Undefined_Atom_Stereo_Count	0
73292	Isotope_Atom_Count	0
4571	Non-hydrogen_Atom_Count	29
93205	Covalent_Unit_Count	1
145458139	Exact_Mass	348.20088463
54246209	Covalent_Unit_Count	1
157690	Total_Formal_Charge	0
56962313	Non-hydrogen_Atom_Count	33
135398671	Defined_Bond_Stereo_Count	1
11667893	Non-hydrogen_Atom_Count	28
201652	XLogP3-AA	3
163429552	Exact_Mass	112.052429494
56857	Undefined_Atom_Stereo_Count	0
56963	Tautomer_Count	1
5460495	Structure_Complexity	90.4
10517	Total_Formal_Charge	0
96339	Tautomer_Count	2
656909	Exact_Mass	308.16574516
54289557	Mono_Isotopic_Weight	132.115029749
135413538	Undefined_Atom_Stereo_Count	0
53348188	Hydrogen_Bond_Acceptor_Count	8
134755071	Non-hydrogen_Atom_Count	60
135887820	Hydrogen_Bond_Acceptor_Count	15
78408892	TPSA	49.7
15747657	Total_Formal_Charge	0
65773	XLogP3-AA	2
461399	Mono_Isotopic_Weight	409.1004755
101626738	Isotope_Atom_Count	0
5281884	Molecular_Weight	1214.6
11427975	Covalent_Unit_Count	1
7015	Non-hydrogen_Atom_Count	13
45380791	Hydrogen_Bond_Acceptor_Count	7
542556	Undefined_Atom_Stereo_Count	0
160602	Defined_Atom_Stereo_Count	0
23581798	Non-hydrogen_Atom_Count	24
31269	Covalent_Unit_Count	1
58166	Tautomer_Count	2
6620	Structure_Complexity	272
12868288	Undefined_Bond_Stereo_Count	0
3613700	XLogP3	1.9
66683200	Rotatable_Bond_Count	1
162349	Total_Formal_Charge	0
3916	Undefined_Atom_Stereo_Count	1
15983287	Undefined_Atom_Stereo_Count	1
8107	Undefined_Bond_Stereo_Count	0
140796896	Undefined_Bond_Stereo_Count	1
131407356	TPSA	51.8
15595	Defined_Bond_Stereo_Count	0
65651	Rotatable_Bond_Count	4
5281801	Mono_Isotopic_Weight	286.04773803
1069	Hydrogen_Bond_Acceptor_Count	2
57215030	Molecular_Weight	108.14
129627254	Mono_Isotopic_Weight	676.4251867
4477	Molecular_Weight	327.12
59296099	Non-hydrogen_Atom_Count	32
716121	Hydrogen_Bond_Donor_Count	0
13150	Defined_Bond_Stereo_Count	0
76469	Total_Formal_Charge	0
124514	Isotope_Atom_Count	0
97524	Structure_Complexity	266
64350	Hydrogen_Bond_Donor_Count	3
48783	XLogP3	1.6
7156	Hydrogen_Bond_Acceptor_Count	2
59736263	XLogP3-AA	0.6
98468	Isotope_Atom_Count	0
75494	Exact_Mass	294.01643791
1437838	Undefined_Atom_Stereo_Count	0
548282	Covalent_Unit_Count	1
123223196	Structure_Complexity	103
574808	Isotope_Atom_Count	0
71608540	Mono_Isotopic_Weight	598.35592871
61370	XLogP3-AA	1.2
56658437	Total_Formal_Charge	0
1819	Defined_Atom_Stereo_Count	0
9919265	Structure_Complexity	1830
47445	Defined_Bond_Stereo_Count	0
3036154	Non-hydrogen_Atom_Count	60
2723789	Tautomer_Count	3
29701	Covalent_Unit_Count	1
5462508	Covalent_Unit_Count	1
63786	Tautomer_Count	5
444913	TPSA	475
21680710	Hydrogen_Bond_Donor_Count	2
139244568	Structure_Complexity	546
402035	Hydrogen_Bond_Donor_Count	0
16217112	TPSA	110
123467456	Mono_Isotopic_Weight	116.083729621
20240	Exact_Mass	194.094294304
5624	Mono_Isotopic_Weight	520.35257467
418360	Structure_Complexity	325
69814	Undefined_Bond_Stereo_Count	1
135564773	Rotatable_Bond_Count	3
5462501	Rotatable_Bond_Count	8
5101	Undefined_Bond_Stereo_Count	0
441203	Undefined_Atom_Stereo_Count	0
11217523	Defined_Bond_Stereo_Count	0
88735	Undefined_Atom_Stereo_Count	0
26421	Tautomer_Count	1
12035	Hydrogen_Bond_Donor_Count	3
614100	Mono_Isotopic_Weight	254.130679813
69301023	Hydrogen_Bond_Acceptor_Count	11
24891698	Exact_Mass	427.20082506
7966	Defined_Bond_Stereo_Count	0
11115809	Undefined_Bond_Stereo_Count	0
123237074	Undefined_Bond_Stereo_Count	0
447234	Hydrogen_Bond_Donor_Count	1
85626	Total_Formal_Charge	0
12967	TPSA	75.8
12899069	Covalent_Unit_Count	1
54541930	Mono_Isotopic_Weight	115.063328530
6919173	Total_Formal_Charge	0
86856	Molecular_Weight	116.16
4092621	XLogP3-AA	2.2
44320150	Covalent_Unit_Count	2
57340472	Defined_Atom_Stereo_Count	0
10153998	Defined_Bond_Stereo_Count	0
442113	Undefined_Atom_Stereo_Count	0
25380	Hydrogen_Bond_Donor_Count	0
59296041	XLogP3-AA	1.6
76922	Undefined_Bond_Stereo_Count	0
9567831	Hydrogen_Bond_Donor_Count	3
5486	Molecular_Weight	440.6
4351	Molecular_Weight	188.27
22596859	Defined_Bond_Stereo_Count	0
6484	Hydrogen_Bond_Acceptor_Count	0
57400037	Total_Formal_Charge	0
50483	Covalent_Unit_Count	2
532293	Mono_Isotopic_Weight	229.9901349
237859	Covalent_Unit_Count	1
8934	Mono_Isotopic_Weight	319.1658058
17541	Hydrogen_Bond_Acceptor_Count	3
21721168	Mono_Isotopic_Weight	129.01878364
6450800	Defined_Bond_Stereo_Count	1
11142	XLogP3-AA	3.4
83860	Undefined_Atom_Stereo_Count	6
126547509	TPSA	41.8
129629387	Exact_Mass	342.11621151
1235	Mono_Isotopic_Weight	257.177964357
49985	Structure_Complexity	249
61622	Undefined_Bond_Stereo_Count	0
14437479	Total_Formal_Charge	0
9824562	Isotope_Atom_Count	0
10254	Total_Formal_Charge	0
68385	Mono_Isotopic_Weight	424.1764997
23675737	Rotatable_Bond_Count	4
22260381	Hydrogen_Bond_Donor_Count	1
11073219	XLogP3-AA	26.4
12049	TPSA	26
12518095	Defined_Atom_Stereo_Count	0
19549	Molecular_Weight	199.63
89129308	Rotatable_Bond_Count	1
32416	Rotatable_Bond_Count	1
97656	Non-hydrogen_Atom_Count	30
86289378	Isotope_Atom_Count	0
3068840	Defined_Bond_Stereo_Count	0
666673	Structure_Complexity	729
11963944	Hydrogen_Bond_Acceptor_Count	8
13450	Hydrogen_Bond_Acceptor_Count	6
99646539	Isotope_Atom_Count	0
3005587	Rotatable_Bond_Count	0
90943885	TPSA	0
48491	Rotatable_Bond_Count	10
105426997	Exact_Mass	112.088815002
6093219	Molecular_Weight	339.5
564664	Mono_Isotopic_Weight	108.093900383
12942137	Total_Formal_Charge	0
21932619	Hydrogen_Bond_Acceptor_Count	10
1970	Total_Formal_Charge	0
12132	Covalent_Unit_Count	1
92058	Total_Formal_Charge	0
44719490	Rotatable_Bond_Count	6
449107	Isotope_Atom_Count	0
96029	TPSA	71.6
6438149	Non-hydrogen_Atom_Count	26
7475	Isotope_Atom_Count	0
44755151	Undefined_Atom_Stereo_Count	0
23667631	Covalent_Unit_Count	2
21954272	Total_Formal_Charge	0
15433	Covalent_Unit_Count	1
10313457	Structure_Complexity	72.1
44555481	Structure_Complexity	854
51030987	Structure_Complexity	647
67105	Molecular_Weight	116.20
76539	Covalent_Unit_Count	1
39187	Undefined_Bond_Stereo_Count	0
81569	Rotatable_Bond_Count	3
21539078	Structure_Complexity	61.2
124081896	Undefined_Atom_Stereo_Count	0
133066	Hydrogen_Bond_Acceptor_Count	2
21414	Undefined_Bond_Stereo_Count	0
73306	TPSA	63.3
13380150	Defined_Atom_Stereo_Count	0
11208	Exact_Mass	72.057514874
10082421	TPSA	46.5
316542	Molecular_Weight	103.12
79772	Tautomer_Count	2
16726873	Covalent_Unit_Count	2
265370	TPSA	20.1
73755062	Rotatable_Bond_Count	14
19809513	Structure_Complexity	104
106831	Defined_Bond_Stereo_Count	0
119828	Hydrogen_Bond_Acceptor_Count	5
3722461	Total_Formal_Charge	0
6918309	Mono_Isotopic_Weight	440.06129312
9022	Total_Formal_Charge	1
14791281	Covalent_Unit_Count	1
90437	Defined_Atom_Stereo_Count	1
15981292	Undefined_Atom_Stereo_Count	0
71406	Isotope_Atom_Count	0
67248528	Exact_Mass	424.0989983
262612	TPSA	37.3
4580	Hydrogen_Bond_Donor_Count	3
129626607	Mono_Isotopic_Weight	231.02697933
13799	Undefined_Bond_Stereo_Count	0
11474	Tautomer_Count	1
41649	Defined_Bond_Stereo_Count	0
5364712	Hydrogen_Bond_Donor_Count	1
537121	Defined_Bond_Stereo_Count	0
5282548	Total_Formal_Charge	0
24199050	Defined_Bond_Stereo_Count	0
10241	Isotope_Atom_Count	0
10903	Hydrogen_Bond_Acceptor_Count	1
11529	Exact_Mass	130.099379685
16130957	Total_Formal_Charge	0
11058021	Defined_Atom_Stereo_Count	0
18398	Covalent_Unit_Count	1
136738541	Exact_Mass	1115.33041247
54897	TPSA	37.6
12307804	Defined_Bond_Stereo_Count	0
498142	Hydrogen_Bond_Donor_Count	4
12757499	Hydrogen_Bond_Donor_Count	0
11538502	TPSA	115
81850	Undefined_Atom_Stereo_Count	0
10167713	Structure_Complexity	1020
3151	Rotatable_Bond_Count	5
67258919	Undefined_Atom_Stereo_Count	0
58258	Structure_Complexity	608
15566577	Covalent_Unit_Count	1
16721	Structure_Complexity	398
5329106	Defined_Atom_Stereo_Count	0
16204922	Structure_Complexity	508
9866767	Defined_Bond_Stereo_Count	0
47170034	Total_Formal_Charge	0
2729	TPSA	28.5
10429254	Molecular_Weight	370.5
59483386	Molecular_Weight	116.12
88983	Mono_Isotopic_Weight	226.13174244
95361	XLogP3-AA	0.1
91231076	Non-hydrogen_Atom_Count	8
54206132	Undefined_Atom_Stereo_Count	0
34328	Undefined_Atom_Stereo_Count	0
21962760	Covalent_Unit_Count	1
3762	TPSA	72.7
941915	Undefined_Atom_Stereo_Count	0
53323739	XLogP3-AA	2.4
57228932	XLogP3-AA	1.4
75931	Mono_Isotopic_Weight	400.287849157
91589206	Molecular_Weight	106.16
158781	Isotope_Atom_Count	0
22760862	Isotope_Atom_Count	0
2192	Covalent_Unit_Count	1
17497	Covalent_Unit_Count	1
541087	XLogP3-AA	2.3
12310714	Defined_Atom_Stereo_Count	2
64865	TPSA	75.4
10162630	Molecular_Weight	477.0
139595131	Defined_Atom_Stereo_Count	13
6931	Defined_Bond_Stereo_Count	0
70542877	Molecular_Weight	97.08
98174	Exact_Mass	263.131014166
42512	Covalent_Unit_Count	1
20977	XLogP3-AA	0.5
123535886	Defined_Atom_Stereo_Count	0
9983746	Defined_Atom_Stereo_Count	0
5650	Undefined_Atom_Stereo_Count	1
20253286	Hydrogen_Bond_Donor_Count	1
69340823	Structure_Complexity	66.7
447076	Molecular_Weight	395.5
145707274	Hydrogen_Bond_Donor_Count	1
10931378	Hydrogen_Bond_Donor_Count	2
70683717	Non-hydrogen_Atom_Count	33
11951726	Exact_Mass	388.11693871
13464587	Undefined_Atom_Stereo_Count	0
14919832	Defined_Atom_Stereo_Count	0
6429113	TPSA	30.2
90227	Exact_Mass	382.13339621
5282209	TPSA	120
6437385	Mono_Isotopic_Weight	858.47655690
21930923	TPSA	56.5
19735771	Exact_Mass	112.063662883
13207481	Molecular_Weight	117.15
13838145	Mono_Isotopic_Weight	92.062600255
747268	Rotatable_Bond_Count	3
119093923	Hydrogen_Bond_Acceptor_Count	4
22833295	Undefined_Bond_Stereo_Count	0
57074	XLogP3-AA	4.4
56953649	TPSA	82
2723671	Rotatable_Bond_Count	12
352309	Exact_Mass	273.266779359
11890	XLogP3	1.6
21991095	Covalent_Unit_Count	1
44230575	XLogP3-AA	1.8
137347968	Isotope_Atom_Count	0
16134627	Undefined_Atom_Stereo_Count	0
5068681	Total_Formal_Charge	0
5325574	Molecular_Weight	115.17
126968495	Undefined_Atom_Stereo_Count	0
22762494	Total_Formal_Charge	0
139064002	Covalent_Unit_Count	4
71437196	Defined_Bond_Stereo_Count	0
97735	Mono_Isotopic_Weight	143.094628657
28639	Mono_Isotopic_Weight	114.104465066
64148	Hydrogen_Bond_Donor_Count	0
578771	Covalent_Unit_Count	1
9595287	Defined_Bond_Stereo_Count	1
4996851	Mono_Isotopic_Weight	190.00866719
119835	Structure_Complexity	506
2583	Defined_Atom_Stereo_Count	0
443753	Hydrogen_Bond_Acceptor_Count	10
67002565	Rotatable_Bond_Count	2
11751549	Undefined_Bond_Stereo_Count	0
123744867	Hydrogen_Bond_Acceptor_Count	1
18717626	Undefined_Atom_Stereo_Count	0
97758	Exact_Mass	82.041864811
6957965	TPSA	85.6
17561	Rotatable_Bond_Count	2
400189	Covalent_Unit_Count	1
68066	Structure_Complexity	564
70563	Mono_Isotopic_Weight	283.1339066
36604	XLogP3	2.1
82711397	Molecular_Weight	118.13
75834	Covalent_Unit_Count	1
74448	Covalent_Unit_Count	1
23674496	Rotatable_Bond_Count	6
72200409	Mono_Isotopic_Weight	545.26853321
44417326	Hydrogen_Bond_Donor_Count	3
59277765	Undefined_Atom_Stereo_Count	0
103376402	Mono_Isotopic_Weight	115.063328530
46783232	Covalent_Unit_Count	2
132469488	Structure_Complexity	1220
21100	Mono_Isotopic_Weight	197.10519334
131954608	Non-hydrogen_Atom_Count	46
955	Tautomer_Count	2
4581	Exact_Mass	153.078978594
3392731	Molecular_Weight	502.8
657014	Structure_Complexity	185
4962721	Rotatable_Bond_Count	1
6967	Mono_Isotopic_Weight	287.00344812
85382	Isotope_Atom_Count	0
86296	Mono_Isotopic_Weight	223.110947427
13496871	XLogP3-AA	0.7
13867380	Exact_Mass	113.00884817
42438	Covalent_Unit_Count	1
95209	Exact_Mass	181.05613515
11083832	Undefined_Atom_Stereo_Count	0
22339897	Exact_Mass	825.35717005
3356885	Defined_Atom_Stereo_Count	0
72075	Rotatable_Bond_Count	4
18004024	Isotope_Atom_Count	0
129712967	TPSA	88.4
159563	Total_Formal_Charge	0
321054	Molecular_Weight	486.5
69632	Defined_Bond_Stereo_Count	0
3467	Undefined_Atom_Stereo_Count	13
93286	Undefined_Bond_Stereo_Count	0
22720	Mono_Isotopic_Weight	103.099714038
139133	Covalent_Unit_Count	1
9980241	Isotope_Atom_Count	0
11986122	Hydrogen_Bond_Acceptor_Count	8
994627	Non-hydrogen_Atom_Count	27
779	Total_Formal_Charge	0
314	Molecular_Weight	323.20
80283	Mono_Isotopic_Weight	103.063328530
60196321	Mono_Isotopic_Weight	388.1917559
32698	Defined_Atom_Stereo_Count	0
12362	Undefined_Atom_Stereo_Count	0
65049734	Exact_Mass	112.088815002
72916	Hydrogen_Bond_Acceptor_Count	2
88093945	Exact_Mass	416.32904526
6432744	Non-hydrogen_Atom_Count	30
23269081	Defined_Atom_Stereo_Count	0
447153	TPSA	20.2
10599	Undefined_Atom_Stereo_Count	1
62278	Defined_Bond_Stereo_Count	0
57394389	Defined_Bond_Stereo_Count	0
69356	Tautomer_Count	1
270010	Mono_Isotopic_Weight	162.02516937
107805	Exact_Mass	293.152812238
71583604	Total_Formal_Charge	0
99516	Exact_Mass	416.32904526
206527	Total_Formal_Charge	0
90488914	TPSA	272
41574	Tautomer_Count	3
9653	TPSA	48.5
7791	Rotatable_Bond_Count	12
21271257	Covalent_Unit_Count	1
40279	Undefined_Atom_Stereo_Count	0
66719	Hydrogen_Bond_Acceptor_Count	2
4674	Undefined_Atom_Stereo_Count	0
139079243	Rotatable_Bond_Count	2
6033664	TPSA	59.3
26690	Exact_Mass	199.193614421
65376195	Hydrogen_Bond_Acceptor_Count	1
5488186	Non-hydrogen_Atom_Count	17
62504	Defined_Atom_Stereo_Count	0
100957861	Structure_Complexity	102
54493	Tautomer_Count	2
22451318	Hydrogen_Bond_Acceptor_Count	2
3135	Isotope_Atom_Count	0
23279304	Defined_Bond_Stereo_Count	0
28700	Total_Formal_Charge	0
73742	Defined_Atom_Stereo_Count	0
34502	Molecular_Weight	612.97
134692791	Isotope_Atom_Count	0
137348308	Hydrogen_Bond_Donor_Count	1
4764	Molecular_Weight	318.3
10646616	Isotope_Atom_Count	0
447546	Covalent_Unit_Count	1
9207	Tautomer_Count	1
96393	Total_Formal_Charge	0
67547	Defined_Atom_Stereo_Count	0
21584622	Non-hydrogen_Atom_Count	47
13203950	Total_Formal_Charge	0
123451	Defined_Bond_Stereo_Count	0
135506152	Undefined_Atom_Stereo_Count	0
688563	Total_Formal_Charge	0
5273472	Hydrogen_Bond_Donor_Count	1
245005	XLogP3-AA	0.3
5311341	Structure_Complexity	788
698851	Hydrogen_Bond_Donor_Count	0
70662473	Undefined_Bond_Stereo_Count	0
184366	Hydrogen_Bond_Acceptor_Count	2
79418	Isotope_Atom_Count	0
6004	Hydrogen_Bond_Donor_Count	1
54686261	Structure_Complexity	569
20096805	Mono_Isotopic_Weight	101.047678466
82513	Defined_Atom_Stereo_Count	0
20758492	Mono_Isotopic_Weight	483.96852877
537142	TPSA	12.5
10964417	Defined_Atom_Stereo_Count	0
39724	Hydrogen_Bond_Donor_Count	2
178145	TPSA	37.3
15757501	Molecular_Weight	109.13
66561	Tautomer_Count	1
6922967	Isotope_Atom_Count	0
304035	Tautomer_Count	1
13991589	Isotope_Atom_Count	0
5323977	Molecular_Weight	114.10
16854	Tautomer_Count	3
679386	XLogP3-AA	1.8
21908889	Exact_Mass	121.03750770
14120104	Total_Formal_Charge	0
41541	Defined_Bond_Stereo_Count	0
17310	Molecular_Weight	122.19
9849490	Isotope_Atom_Count	0
14013	Structure_Complexity	24.8
46184986	Covalent_Unit_Count	1
123203551	Undefined_Bond_Stereo_Count	0
5283739	Undefined_Bond_Stereo_Count	0
7530950	Defined_Atom_Stereo_Count	3
222155	Mono_Isotopic_Weight	548.29853298
86208116	Defined_Bond_Stereo_Count	0
134931805	Hydrogen_Bond_Donor_Count	0
10011883	Isotope_Atom_Count	0
123659755	Isotope_Atom_Count	0
92722	XLogP3-AA	1.3
7421	XLogP3	1.6
61249	Undefined_Atom_Stereo_Count	1
23691965	Hydrogen_Bond_Acceptor_Count	3
11852	Mono_Isotopic_Weight	483.59443
51029964	Isotope_Atom_Count	0
13577	Defined_Bond_Stereo_Count	0
11544170	XLogP3-AA	4.1
715513	Covalent_Unit_Count	1
23679441	Rotatable_Bond_Count	8
52943269	Defined_Atom_Stereo_Count	1
49866023	Non-hydrogen_Atom_Count	26
88077632	Mono_Isotopic_Weight	155.142041939
8818	Tautomer_Count	2
13721252	Hydrogen_Bond_Acceptor_Count	3
135473834	Non-hydrogen_Atom_Count	33
21954272	Structure_Complexity	30.9
4782	Undefined_Atom_Stereo_Count	1
15277	Undefined_Atom_Stereo_Count	0
20660020	Hydrogen_Bond_Donor_Count	1
53627428	Structure_Complexity	607
134826477	Non-hydrogen_Atom_Count	49
6064	Hydrogen_Bond_Donor_Count	2
2995	Non-hydrogen_Atom_Count	20
815863	Defined_Atom_Stereo_Count	0
130028324	TPSA	61.1
135398517	Molecular_Weight	176.17
225674	Exact_Mass	220.100048391
33038	Rotatable_Bond_Count	17
270901	Covalent_Unit_Count	1
5284656	Exact_Mass	176.083729621
135491830	Undefined_Bond_Stereo_Count	0
131170	Molecular_Weight	216.62
2640	Hydrogen_Bond_Donor_Count	3
101938021	Non-hydrogen_Atom_Count	18
5311309	Undefined_Bond_Stereo_Count	0
5327686	Non-hydrogen_Atom_Count	30
9934458	Structure_Complexity	612
15008962	Molecular_Weight	405.4
5262	Hydrogen_Bond_Donor_Count	4
166560	Rotatable_Bond_Count	0
139079010	Isotope_Atom_Count	0
46181941	Undefined_Atom_Stereo_Count	1
44462786	Hydrogen_Bond_Donor_Count	1
748002	Defined_Bond_Stereo_Count	0
13542	Structure_Complexity	88.1
24917007	Mono_Isotopic_Weight	220.15488318
135459971	Non-hydrogen_Atom_Count	19
42602095	Undefined_Bond_Stereo_Count	0
461279	Hydrogen_Bond_Acceptor_Count	10
524670	TPSA	0
1340	Covalent_Unit_Count	1
5324776	Undefined_Atom_Stereo_Count	0
16697	Defined_Atom_Stereo_Count	0
53754520	Covalent_Unit_Count	1
11673085	Mono_Isotopic_Weight	231.0581549
53626	Exact_Mass	292.157563266
1857	TPSA	103
13651	Undefined_Bond_Stereo_Count	0
442428	Isotope_Atom_Count	0
398678	Isotope_Atom_Count	0
11768551	Hydrogen_Bond_Acceptor_Count	2
142566105	Defined_Atom_Stereo_Count	0
23677829	Hydrogen_Bond_Donor_Count	2
11174789	Non-hydrogen_Atom_Count	24
11532248	Undefined_Bond_Stereo_Count	0
54373	Non-hydrogen_Atom_Count	79
11761	Structure_Complexity	220
2199	XLogP3-AA	0.9
86389	Defined_Bond_Stereo_Count	0
177323	Mono_Isotopic_Weight	628.44647505
85960	Undefined_Bond_Stereo_Count	0
254454	Rotatable_Bond_Count	9
4178	Covalent_Unit_Count	1
84041	Isotope_Atom_Count	0
817470	Covalent_Unit_Count	1
59933239	Defined_Bond_Stereo_Count	0
4934	Mono_Isotopic_Weight	368.22256882
3760	Mono_Isotopic_Weight	413.986024
9804219	Non-hydrogen_Atom_Count	32
79043	Structure_Complexity	146
10746	Undefined_Atom_Stereo_Count	2
12453880	Undefined_Bond_Stereo_Count	0
158698	Non-hydrogen_Atom_Count	32
97860	Exact_Mass	254.094294304
2734646	Tautomer_Count	1
12341793	Structure_Complexity	365
7756	Hydrogen_Bond_Acceptor_Count	2
11815712	Mono_Isotopic_Weight	1225.94005901
9469	Hydrogen_Bond_Acceptor_Count	3
92386	Exact_Mass	248.14124450
16760189	Defined_Bond_Stereo_Count	0
91932	Rotatable_Bond_Count	3
7428	Mono_Isotopic_Weight	184.03717335
10855384	TPSA	26
6917754	Tautomer_Count	1
9848989	TPSA	62.2
10948	Defined_Bond_Stereo_Count	0
9868902	TPSA	58.1
9514	Total_Formal_Charge	0
27868	Hydrogen_Bond_Acceptor_Count	2
7042	Molecular_Weight	128.13
66080	Exact_Mass	96.093900383
519599	Rotatable_Bond_Count	2
59296077	Defined_Bond_Stereo_Count	0
57401684	Defined_Atom_Stereo_Count	0
15748	Undefined_Atom_Stereo_Count	1
2752588	Isotope_Atom_Count	0
8785	Non-hydrogen_Atom_Count	11
54708299	Covalent_Unit_Count	1
69016240	Undefined_Atom_Stereo_Count	0
23677323	Structure_Complexity	220
198135	Undefined_Bond_Stereo_Count	0
75577315	Defined_Atom_Stereo_Count	0
23671691	Isotope_Atom_Count	0
87114	Undefined_Bond_Stereo_Count	0
25561	Hydrogen_Bond_Acceptor_Count	4
23674746	Exact_Mass	555.03657441
11953895	Exact_Mass	297.948962
102198498	Defined_Atom_Stereo_Count	0
650572	Structure_Complexity	490
17613	Total_Formal_Charge	0
60195904	Isotope_Atom_Count	0
154474735	Non-hydrogen_Atom_Count	7
7238	Defined_Atom_Stereo_Count	0
54475034	Undefined_Bond_Stereo_Count	0
21658180	Isotope_Atom_Count	0
1162	Covalent_Unit_Count	1
131634907	Molecular_Weight	2083.9
59968312	Hydrogen_Bond_Donor_Count	0
12774755	Defined_Bond_Stereo_Count	0
13791	Molecular_Weight	356.5
8289	Undefined_Atom_Stereo_Count	0
167980	Rotatable_Bond_Count	7
123964	Covalent_Unit_Count	1
39356	Hydrogen_Bond_Acceptor_Count	2
57392965	Covalent_Unit_Count	1
10964421	Hydrogen_Bond_Donor_Count	1
9100	Hydrogen_Bond_Donor_Count	0
3035467	Structure_Complexity	136
57992030	Covalent_Unit_Count	1
38140	Total_Formal_Charge	0
71309908	Hydrogen_Bond_Acceptor_Count	6
137699683	Non-hydrogen_Atom_Count	47
82839	Rotatable_Bond_Count	0
11423563	TPSA	32.3
5288706	Mono_Isotopic_Weight	485.27536898
297618	Undefined_Bond_Stereo_Count	0
101254310	Exact_Mass	182.07161235
5281764	Tautomer_Count	136
794	Covalent_Unit_Count	1
88323	Hydrogen_Bond_Acceptor_Count	5
16120191	Rotatable_Bond_Count	3
57399142	Mono_Isotopic_Weight	389.0268720
6885	Non-hydrogen_Atom_Count	10
14045176	Undefined_Atom_Stereo_Count	0
89613815	Undefined_Bond_Stereo_Count	1
135509147	TPSA	248
1080	Rotatable_Bond_Count	5
49836020	Exact_Mass	806.42908786
14069104	Structure_Complexity	148
556371	Isotope_Atom_Count	0
32031	Structure_Complexity	165
2617	Isotope_Atom_Count	0
12394845	Mono_Isotopic_Weight	108.093900383
14974	Molecular_Weight	867.0
2734236	Hydrogen_Bond_Donor_Count	0
65647	Hydrogen_Bond_Acceptor_Count	4
450	Molecular_Weight	272.4
46783859	Total_Formal_Charge	0
11480819	Rotatable_Bond_Count	1
9001	Total_Formal_Charge	0
10039774	Exact_Mass	288.208930132
6537495	TPSA	82.3
53466062	TPSA	85.1
108002	Structure_Complexity	820
59295994	Covalent_Unit_Count	1
533840	Covalent_Unit_Count	1
12295224	Non-hydrogen_Atom_Count	8
129631814	Defined_Atom_Stereo_Count	6
4330531	Non-hydrogen_Atom_Count	27
15286	Covalent_Unit_Count	1
33309	XLogP3	2.9
1486	Undefined_Bond_Stereo_Count	0
88267	Defined_Atom_Stereo_Count	0
322968	TPSA	60.8
136502787	Structure_Complexity	107
669019	Total_Formal_Charge	0
56438	Hydrogen_Bond_Acceptor_Count	4
10374415	XLogP3-AA	1.2
3430	Total_Formal_Charge	0
12862572	Rotatable_Bond_Count	6
246983	TPSA	20.2
103564347	Undefined_Atom_Stereo_Count	0
164886662	TPSA	304
96807	Hydrogen_Bond_Donor_Count	1
16134395	Undefined_Atom_Stereo_Count	0
11829	Covalent_Unit_Count	1
52943302	Rotatable_Bond_Count	6
19350299	XLogP3-AA	0
7696	Total_Formal_Charge	0
563446	Isotope_Atom_Count	0
55362	Undefined_Bond_Stereo_Count	0
9811493	Undefined_Atom_Stereo_Count	1
9852746	Total_Formal_Charge	0
140376	Molecular_Weight	108.14
59814883	Exact_Mass	110.073164938
22172	Undefined_Bond_Stereo_Count	0
21975	Covalent_Unit_Count	4
19438038	Defined_Bond_Stereo_Count	0
70299	Molecular_Weight	172.56
5361462	Mono_Isotopic_Weight	489.976916
2733	Isotope_Atom_Count	0
20705517	Defined_Bond_Stereo_Count	0
6326719	Defined_Bond_Stereo_Count	0
44520	Covalent_Unit_Count	1
33733	Exact_Mass	426.37091007
21789	Hydrogen_Bond_Acceptor_Count	2
12313523	Exact_Mass	222.173213330
172717	Undefined_Bond_Stereo_Count	0
135979919	XLogP3-AA	4.1
7364357	Isotope_Atom_Count	0
11966141	Structure_Complexity	1450
701498	Undefined_Bond_Stereo_Count	0
49798415	Covalent_Unit_Count	1
147983909	Hydrogen_Bond_Acceptor_Count	2
10351660	Total_Formal_Charge	0
129653419	Isotope_Atom_Count	0
85254	Hydrogen_Bond_Donor_Count	1
20674252	Defined_Atom_Stereo_Count	0
228987	Non-hydrogen_Atom_Count	15
28102	Exact_Mass	341.1757714
141631	Hydrogen_Bond_Donor_Count	0
123608	Rotatable_Bond_Count	4
75073	Covalent_Unit_Count	1
4992033	Total_Formal_Charge	1
9570438	Undefined_Bond_Stereo_Count	0
14231	Non-hydrogen_Atom_Count	10
9962	TPSA	0
9570327	Covalent_Unit_Count	1
44629594	Defined_Bond_Stereo_Count	0
9934347	Rotatable_Bond_Count	7
27989	XLogP3-AA	0.1
27368	Defined_Atom_Stereo_Count	0
208832	Undefined_Bond_Stereo_Count	0
95997	Undefined_Atom_Stereo_Count	0
447715	Defined_Atom_Stereo_Count	11
13214	Hydrogen_Bond_Donor_Count	0
2723866	Hydrogen_Bond_Donor_Count	6
47104	Total_Formal_Charge	0
19828862	Isotope_Atom_Count	0
67125	Molecular_Weight	282.34
66117	Isotope_Atom_Count	0
34231	Isotope_Atom_Count	0
24367	Structure_Complexity	322
76519	Isotope_Atom_Count	0
59771	Hydrogen_Bond_Acceptor_Count	4
1574	Hydrogen_Bond_Acceptor_Count	2
9895247	Defined_Bond_Stereo_Count	0
11704019	TPSA	59.4
74506	Tautomer_Count	1
71583043	Hydrogen_Bond_Acceptor_Count	6
5362420	XLogP3-AA	4.9
8326	Structure_Complexity	291
8584	Molecular_Weight	403.5
22772	Rotatable_Bond_Count	2
119196	Tautomer_Count	81
58599	Structure_Complexity	316
91302186	Defined_Atom_Stereo_Count	0
26560	Hydrogen_Bond_Donor_Count	0
32836	Exact_Mass	291.859703
138988041	Undefined_Bond_Stereo_Count	0
15920952	Hydrogen_Bond_Donor_Count	1
72666	Defined_Atom_Stereo_Count	0
197856	Tautomer_Count	15
13739752	Covalent_Unit_Count	1
67782142	Covalent_Unit_Count	1
11595	Covalent_Unit_Count	1
531	Structure_Complexity	1450
23181	Isotope_Atom_Count	0
16050553	Mono_Isotopic_Weight	381.24162724
16599	Rotatable_Bond_Count	5
74766064	Total_Formal_Charge	0
32798	Mono_Isotopic_Weight	466.1922300
14967651	Undefined_Bond_Stereo_Count	0
69311	Mono_Isotopic_Weight	190.15689456
54688706	Total_Formal_Charge	0
192160	TPSA	38.7
78255	XLogP3-AA	6.9
139079484	Defined_Atom_Stereo_Count	0
23671562	Non-hydrogen_Atom_Count	40
5401	Covalent_Unit_Count	1
6198	Mono_Isotopic_Weight	226.0872908
3680403	Undefined_Atom_Stereo_Count	0
25058411	Defined_Atom_Stereo_Count	6
17842350	Structure_Complexity	129
37864	TPSA	29.5
54744	Hydrogen_Bond_Acceptor_Count	4
23914	Isotope_Atom_Count	0
527511	Hydrogen_Bond_Acceptor_Count	0
23729877	Defined_Bond_Stereo_Count	0
133556498	Mono_Isotopic_Weight	620.23163518
56828	Exact_Mass	363.1601214
4816	Tautomer_Count	1
22015942	Covalent_Unit_Count	1
8381	Defined_Atom_Stereo_Count	0
22078	Defined_Atom_Stereo_Count	0
225710	Structure_Complexity	86.1
12285886	Isotope_Atom_Count	1
5986	Hydrogen_Bond_Donor_Count	1
78363	Undefined_Atom_Stereo_Count	0
100489	Covalent_Unit_Count	1
72760	Mono_Isotopic_Weight	254.10150494
196445	Total_Formal_Charge	0
6572	Total_Formal_Charge	0
27200	TPSA	112
14717865	TPSA	17.8
9864348	Isotope_Atom_Count	0
70297	Total_Formal_Charge	0
534132	Mono_Isotopic_Weight	80.062600255
5352449	Molecular_Weight	248.4
398675	XLogP3-AA	5.1
13879722	Total_Formal_Charge	0
160138	Undefined_Bond_Stereo_Count	0
13736254	Non-hydrogen_Atom_Count	8
14055	Non-hydrogen_Atom_Count	4
332226	Isotope_Atom_Count	0
6604910	Mono_Isotopic_Weight	292.121177757
72506564	Exact_Mass	93.021463719
10246085	Hydrogen_Bond_Acceptor_Count	3
65072	Tautomer_Count	3
41287	Hydrogen_Bond_Donor_Count	1
49869173	Hydrogen_Bond_Donor_Count	1
63833	Undefined_Bond_Stereo_Count	0
1413	Mono_Isotopic_Weight	320.23514488
58599	Tautomer_Count	2
26534	Molecular_Weight	259.80
110635	Hydrogen_Bond_Acceptor_Count	4
3034450	Non-hydrogen_Atom_Count	10
19884375	Rotatable_Bond_Count	3
285886	Molecular_Weight	284.3
3415	Hydrogen_Bond_Donor_Count	3
90891909	Hydrogen_Bond_Acceptor_Count	1
289460	Hydrogen_Bond_Acceptor_Count	4
16051951	Defined_Atom_Stereo_Count	9
71718453	Non-hydrogen_Atom_Count	23
24012	Isotope_Atom_Count	0
156580481	Total_Formal_Charge	0
75757	Structure_Complexity	226
24083	Defined_Bond_Stereo_Count	0
32	Undefined_Bond_Stereo_Count	1
63950	Total_Formal_Charge	0
23238238	Defined_Bond_Stereo_Count	0
44445686	Mono_Isotopic_Weight	416.32904526
108850	Rotatable_Bond_Count	1
54038601	Covalent_Unit_Count	1
61141	Hydrogen_Bond_Donor_Count	0
52941509	TPSA	42.4
179344	Undefined_Bond_Stereo_Count	0
131632500	Covalent_Unit_Count	1
429819	TPSA	66.4
54454	Hydrogen_Bond_Acceptor_Count	5
14283	Covalent_Unit_Count	1
227996	Rotatable_Bond_Count	2
66726	Undefined_Bond_Stereo_Count	0
13220194	Structure_Complexity	238
91420197	Isotope_Atom_Count	0
22675	Hydrogen_Bond_Acceptor_Count	2
163285375	Rotatable_Bond_Count	7
68674	Total_Formal_Charge	0
65546	XLogP3	1.6
99987	Undefined_Atom_Stereo_Count	1
76225552	Structure_Complexity	80.1
91180913	Hydrogen_Bond_Acceptor_Count	3
71455277	Non-hydrogen_Atom_Count	35
54502555	Molecular_Weight	100.16
4526530	Hydrogen_Bond_Acceptor_Count	3
11944	Undefined_Atom_Stereo_Count	0
72304	Exact_Mass	222.068079557
18944758	Hydrogen_Bond_Acceptor_Count	6
12304109	Undefined_Atom_Stereo_Count	0
22556	Hydrogen_Bond_Acceptor_Count	1
15090448	Defined_Bond_Stereo_Count	0
10986185	Total_Formal_Charge	0
2442	Total_Formal_Charge	0
21675743	Exact_Mass	100.100048391
3817	Structure_Complexity	940
693507	Structure_Complexity	435
156651923	Undefined_Atom_Stereo_Count	2
104276777	TPSA	9.2
54331	Rotatable_Bond_Count	4
6436924	Molecular_Weight	360.75
6977134	Rotatable_Bond_Count	2
24360	Undefined_Atom_Stereo_Count	0
559799	Tautomer_Count	1
57483528	Undefined_Atom_Stereo_Count	3
166581	Tautomer_Count	44
71584166	TPSA	107
119097350	Mono_Isotopic_Weight	96.057514874
46205408	Molecular_Weight	599.7
181978	Covalent_Unit_Count	3
122706285	Mono_Isotopic_Weight	338.01513155
12655091	Undefined_Atom_Stereo_Count	1
6518	Rotatable_Bond_Count	8
69777	Molecular_Weight	284.23
44631912	Undefined_Bond_Stereo_Count	0
23279316	Undefined_Bond_Stereo_Count	0
75358112	Total_Formal_Charge	0
14587284	Total_Formal_Charge	0
59874134	Isotope_Atom_Count	0
97577	Non-hydrogen_Atom_Count	17
42552713	Defined_Atom_Stereo_Count	10
260917	Exact_Mass	110.073164938
71586806	Hydrogen_Bond_Acceptor_Count	2
15008962	Isotope_Atom_Count	0
13233	TPSA	75.9
70688569	Total_Formal_Charge	0
16049450	Molecular_Weight	482.1
5370664	Rotatable_Bond_Count	3
9826744	Hydrogen_Bond_Donor_Count	1
5381214	Undefined_Bond_Stereo_Count	0
155774	Total_Formal_Charge	0
118897473	Hydrogen_Bond_Acceptor_Count	3
12550	Hydrogen_Bond_Donor_Count	3
10453870	Undefined_Atom_Stereo_Count	0
136346	Mono_Isotopic_Weight	166.099379685
63409	Total_Formal_Charge	0
23516057	Defined_Atom_Stereo_Count	0
146678	Defined_Bond_Stereo_Count	0
16678045	Hydrogen_Bond_Donor_Count	2
448258	Hydrogen_Bond_Donor_Count	1
25271790	Undefined_Bond_Stereo_Count	0
59481545	Hydrogen_Bond_Donor_Count	1
60196340	XLogP3-AA	1.8
12228	Undefined_Bond_Stereo_Count	0
79964	Hydrogen_Bond_Donor_Count	1
5743836	TPSA	49.8
450598	Defined_Atom_Stereo_Count	0
40704	Isotope_Atom_Count	0
700865	Isotope_Atom_Count	0
11673085	Defined_Bond_Stereo_Count	0
57136075	Structure_Complexity	93.2
66587017	Mono_Isotopic_Weight	458.0553388
160154	Rotatable_Bond_Count	2
11789136	XLogP3-AA	1
21187532	Non-hydrogen_Atom_Count	8
19596	Defined_Bond_Stereo_Count	0
122640	Covalent_Unit_Count	1
23634441	Defined_Atom_Stereo_Count	0
24203	Tautomer_Count	1
12739608	XLogP3-AA	2.8
7020624	Mono_Isotopic_Weight	99.104799419
9887304	Covalent_Unit_Count	1
5527	Non-hydrogen_Atom_Count	24
55286835	Exact_Mass	113.058911855
20542	Total_Formal_Charge	0
593411	Isotope_Atom_Count	0
9892071	Exact_Mass	497.16542806
163321054	Exact_Mass	1325.35377640
8679	TPSA	12
141704	Defined_Bond_Stereo_Count	0
91272	Structure_Complexity	429
3224	Mono_Isotopic_Weight	403.816881
3395	Molecular_Weight	330.3
15179723	Mono_Isotopic_Weight	102.079312947
74096	Isotope_Atom_Count	0
38282	Rotatable_Bond_Count	1
51380890	Mono_Isotopic_Weight	275.0257161
20232381	XLogP3-AA	1
48384	Structure_Complexity	242
67534	Undefined_Bond_Stereo_Count	0
19768890	Defined_Bond_Stereo_Count	0
484651	Hydrogen_Bond_Acceptor_Count	28
123963	Defined_Atom_Stereo_Count	0
31863	Total_Formal_Charge	0
140956	Rotatable_Bond_Count	2
92155	Isotope_Atom_Count	0
118505252	Defined_Atom_Stereo_Count	0
25137678	TPSA	18.5
12702413	Molecular_Weight	180.20
6432512	Hydrogen_Bond_Acceptor_Count	5
73720	Undefined_Atom_Stereo_Count	0
426409	Defined_Bond_Stereo_Count	0
12993402	Structure_Complexity	351
8512	TPSA	54.4
331501	Exact_Mass	112.063662883
57402175	Isotope_Atom_Count	0
139086112	XLogP3-AA	1.7
22082840	Undefined_Bond_Stereo_Count	0
9808333	Exact_Mass	303.14705815
62719	Hydrogen_Bond_Donor_Count	0
13999819	TPSA	17.1
60982	Structure_Complexity	166
4175	Isotope_Atom_Count	0
22843	Undefined_Bond_Stereo_Count	0
64685	Defined_Atom_Stereo_Count	0
4302960	Undefined_Atom_Stereo_Count	0
5462951	Covalent_Unit_Count	1
20390093	TPSA	48.2
102004571	Isotope_Atom_Count	0
53316417	Covalent_Unit_Count	2
15560749	TPSA	60.2
30905	Isotope_Atom_Count	0
27562	Rotatable_Bond_Count	1
130881	Covalent_Unit_Count	1
439378	Undefined_Bond_Stereo_Count	0
2843	Rotatable_Bond_Count	11
7020642	Mono_Isotopic_Weight	262.13174244
1123	Structure_Complexity	120
60182	Undefined_Atom_Stereo_Count	1
10820489	Undefined_Bond_Stereo_Count	0
3052776	Hydrogen_Bond_Donor_Count	1
5288799	Total_Formal_Charge	0
6431226	Non-hydrogen_Atom_Count	14
14709	Hydrogen_Bond_Acceptor_Count	3
516875	Undefined_Bond_Stereo_Count	0
53737226	Non-hydrogen_Atom_Count	7
134694876	Defined_Bond_Stereo_Count	0
15969	Isotope_Atom_Count	0
630355	TPSA	40.5
19547	Undefined_Bond_Stereo_Count	0
56834574	Covalent_Unit_Count	1
44310513	Exact_Mass	391.19296297
67259738	Undefined_Atom_Stereo_Count	0
6431771	Undefined_Atom_Stereo_Count	0
71584544	Hydrogen_Bond_Acceptor_Count	6
69698	Non-hydrogen_Atom_Count	11
10027278	Isotope_Atom_Count	0
70819549	Undefined_Atom_Stereo_Count	0
135887820	XLogP3-AA	6.7
5281224	Defined_Bond_Stereo_Count	9
9539	Undefined_Atom_Stereo_Count	0
78438	Isotope_Atom_Count	0
5362858	Undefined_Atom_Stereo_Count	1
667498	XLogP3	0.7
43139	Isotope_Atom_Count	0
60196259	Non-hydrogen_Atom_Count	35
11387605	Rotatable_Bond_Count	8
138200	Structure_Complexity	101
54177139	Hydrogen_Bond_Acceptor_Count	2
8070	Covalent_Unit_Count	1
36082	Hydrogen_Bond_Acceptor_Count	1
6927	Defined_Atom_Stereo_Count	0
31068	Mono_Isotopic_Weight	365.0585488
21389388	TPSA	38.3
148184	Undefined_Atom_Stereo_Count	0
937394	Mono_Isotopic_Weight	178.110613074
150175	Total_Formal_Charge	0
69351	Non-hydrogen_Atom_Count	13
71308751	Hydrogen_Bond_Acceptor_Count	16
9807600	Structure_Complexity	694
70480850	Structure_Complexity	68.9
1549133	XLogP3-AA	4.4
44134800	Undefined_Atom_Stereo_Count	0
17903417	Rotatable_Bond_Count	13
6475	Undefined_Bond_Stereo_Count	0
8085	Total_Formal_Charge	0
57396041	Exact_Mass	454.33077660
57990869	Hydrogen_Bond_Acceptor_Count	7
1108	Non-hydrogen_Atom_Count	17
9559	Undefined_Atom_Stereo_Count	0
638116	Hydrogen_Bond_Acceptor_Count	1
54180637	Defined_Bond_Stereo_Count	0
88406	Undefined_Atom_Stereo_Count	0
139341721	XLogP3-AA	1
606990	Defined_Atom_Stereo_Count	0
66245	Structure_Complexity	330
400769	Hydrogen_Bond_Donor_Count	0
133119158	Isotope_Atom_Count	2
70825	Molecular_Weight	206.32
7331	Total_Formal_Charge	0
16679	Defined_Bond_Stereo_Count	0
87532	Undefined_Atom_Stereo_Count	0
77311	Covalent_Unit_Count	2
56988963	Exact_Mass	102.079312947
119086017	Non-hydrogen_Atom_Count	8
10921	Isotope_Atom_Count	0
843179	Hydrogen_Bond_Acceptor_Count	4
8425	Undefined_Bond_Stereo_Count	0
6917972	Structure_Complexity	71
5795731	Rotatable_Bond_Count	2
2243	Total_Formal_Charge	0
21615038	Hydrogen_Bond_Acceptor_Count	4
71533242	Undefined_Atom_Stereo_Count	1
40466900	Mono_Isotopic_Weight	411.19601972
2734122	TPSA	52.5
15671	Isotope_Atom_Count	0
75903	Molecular_Weight	330.3
15038	Total_Formal_Charge	0
21047	Defined_Bond_Stereo_Count	0
704233	TPSA	69.6
12673086	Isotope_Atom_Count	0
65092	XLogP3-AA	0.6
3003791	Hydrogen_Bond_Acceptor_Count	2
91899080	Non-hydrogen_Atom_Count	16
24721276	Hydrogen_Bond_Donor_Count	1
130125724	Defined_Bond_Stereo_Count	0
9015	Covalent_Unit_Count	1
43515	Total_Formal_Charge	0
90961655	Undefined_Atom_Stereo_Count	2
9933475	Structure_Complexity	625
1265	Isotope_Atom_Count	0
16091082	Defined_Atom_Stereo_Count	0
5281522	Tautomer_Count	1
6424	Covalent_Unit_Count	1
846297	Defined_Bond_Stereo_Count	0
66263	Hydrogen_Bond_Donor_Count	1
5464562	Rotatable_Bond_Count	10
353481	Mono_Isotopic_Weight	495.16014201
147630	Defined_Bond_Stereo_Count	0
735091	Non-hydrogen_Atom_Count	16
21670561	TPSA	0
43860	Rotatable_Bond_Count	4
54071	Mono_Isotopic_Weight	244.0978555
7466	Hydrogen_Bond_Acceptor_Count	1
166558989	Structure_Complexity	120
5280981	Covalent_Unit_Count	1
92222	Molecular_Weight	197.19
60569	Non-hydrogen_Atom_Count	18
15788279	Undefined_Bond_Stereo_Count	0
4421	Hydrogen_Bond_Donor_Count	1
10942665	Hydrogen_Bond_Donor_Count	0
9104	Non-hydrogen_Atom_Count	32
24871329	Exact_Mass	639.8696636
136240586	Covalent_Unit_Count	1
45266598	Undefined_Atom_Stereo_Count	0
446596	Rotatable_Bond_Count	17
23581869	Non-hydrogen_Atom_Count	26
145731381	TPSA	240
274426	Undefined_Atom_Stereo_Count	4
5282227	Hydrogen_Bond_Acceptor_Count	7
13132266	Undefined_Bond_Stereo_Count	0
3382	Isotope_Atom_Count	0
10256734	Rotatable_Bond_Count	7
139771583	Non-hydrogen_Atom_Count	8
24815904	Rotatable_Bond_Count	5
5213	Total_Formal_Charge	0
23987	Undefined_Bond_Stereo_Count	0
76478	Mono_Isotopic_Weight	206.13382109
91807240	TPSA	29
14437479	Rotatable_Bond_Count	3
890718	Defined_Atom_Stereo_Count	0
55288974	Structure_Complexity	155
42609791	Rotatable_Bond_Count	13
8372	Structure_Complexity	480
49862517	Defined_Bond_Stereo_Count	0
31448	Rotatable_Bond_Count	1
3683	Hydrogen_Bond_Donor_Count	1
145711648	Hydrogen_Bond_Acceptor_Count	2
45270588	Molecular_Weight	497.1
15789550	Exact_Mass	101.084063974
136247302	Covalent_Unit_Count	1
12497562	Defined_Bond_Stereo_Count	0
7713	Total_Formal_Charge	0
12459578	Isotope_Atom_Count	0
74581	Rotatable_Bond_Count	1
15234	TPSA	43.4
104920	Total_Formal_Charge	0
1910825	Undefined_Atom_Stereo_Count	0
70383887	Rotatable_Bond_Count	0
59904077	Defined_Bond_Stereo_Count	0
10809009	Non-hydrogen_Atom_Count	25
101977	Defined_Bond_Stereo_Count	0
16683704	Total_Formal_Charge	0
673647	Non-hydrogen_Atom_Count	12
16129878	Mono_Isotopic_Weight	1700.1729741
82953	Rotatable_Bond_Count	0
906815	Mono_Isotopic_Weight	345.11471265
13378766	Molecular_Weight	101.10
2734223	Isotope_Atom_Count	0
125468	Defined_Bond_Stereo_Count	1
134825522	Defined_Bond_Stereo_Count	0
277767	Non-hydrogen_Atom_Count	18
6604200	Non-hydrogen_Atom_Count	17
42608159	XLogP3-AA	4.5
163829	Exact_Mass	1392.73362573
582708	Undefined_Bond_Stereo_Count	0
123288617	Undefined_Bond_Stereo_Count	0
51971	Mono_Isotopic_Weight	284.131348519
11596881	Isotope_Atom_Count	0
519103	Defined_Atom_Stereo_Count	0
71795	Mono_Isotopic_Weight	324.183778013
176170	Exact_Mass	249.00006
65309	TPSA	157
18506421	Covalent_Unit_Count	1
16406	Rotatable_Bond_Count	5
84647683	Molecular_Weight	113.12
6335951	Undefined_Atom_Stereo_Count	0
3791919	XLogP3-AA	0
12885796	Mono_Isotopic_Weight	116.120115130
62436	Hydrogen_Bond_Donor_Count	0
65836	Molecular_Weight	324.2
5464344	Defined_Atom_Stereo_Count	3
11734	Mono_Isotopic_Weight	107.9978071
917192	Undefined_Atom_Stereo_Count	0
160230029	TPSA	48.2
7855	Tautomer_Count	1
97428	Covalent_Unit_Count	1
39094	Mono_Isotopic_Weight	303.125928785
443239	Hydrogen_Bond_Acceptor_Count	6
598777	XLogP3-AA	1.5
448718	Hydrogen_Bond_Acceptor_Count	8
20688852	Hydrogen_Bond_Acceptor_Count	2
161765303	Defined_Bond_Stereo_Count	0
5289535	Mono_Isotopic_Weight	785.28546166
3017698	Rotatable_Bond_Count	4
71624581	Molecular_Weight	403.9
81540	Structure_Complexity	54
67570	Hydrogen_Bond_Acceptor_Count	0
162883451	Total_Formal_Charge	0
13972130	Undefined_Bond_Stereo_Count	0
11936	Molecular_Weight	192.25
19169	Molecular_Weight	114.14
53808	Structure_Complexity	300
20522198	Undefined_Bond_Stereo_Count	0
12892583	Non-hydrogen_Atom_Count	8
5367460	Covalent_Unit_Count	1
6517	Undefined_Bond_Stereo_Count	0
156693	Undefined_Atom_Stereo_Count	0
158385	Defined_Atom_Stereo_Count	0
4284331	TPSA	189
45055483	Covalent_Unit_Count	3
90438	Isotope_Atom_Count	0
11675388	Non-hydrogen_Atom_Count	27
3056	TPSA	107
7773	Hydrogen_Bond_Donor_Count	0
790	Defined_Bond_Stereo_Count	0
10444765	Mono_Isotopic_Weight	249.172878976
16683	Exact_Mass	174.08920892
24723	Defined_Bond_Stereo_Count	0
5282485	Structure_Complexity	460
19778484	Structure_Complexity	142
16213080	Rotatable_Bond_Count	5
1470719	Total_Formal_Charge	0
10013505	Rotatable_Bond_Count	1
20739	Mono_Isotopic_Weight	142.135765193
58242	Rotatable_Bond_Count	5
5978	Defined_Bond_Stereo_Count	0
164695	Defined_Bond_Stereo_Count	0
11523	Isotope_Atom_Count	0
127757	Undefined_Atom_Stereo_Count	0
53483390	Defined_Atom_Stereo_Count	5
701841	Hydrogen_Bond_Acceptor_Count	4
21585056	Hydrogen_Bond_Donor_Count	1
137553930	Total_Formal_Charge	0
2984	Undefined_Atom_Stereo_Count	0
56954881	Isotope_Atom_Count	0
5324289	Defined_Bond_Stereo_Count	0
11527661	Non-hydrogen_Atom_Count	37
14297259	Defined_Bond_Stereo_Count	0
4099	Rotatable_Bond_Count	2
150679	Isotope_Atom_Count	0
71215	Non-hydrogen_Atom_Count	25
137212229	Defined_Bond_Stereo_Count	0
52943962	Exact_Mass	274.168127949
9543026	Exact_Mass	821.12577494
24586	Defined_Bond_Stereo_Count	0
55290897	Exact_Mass	93.021463719
3716002	Total_Formal_Charge	0
67121664	Molecular_Weight	112.17
9919680	Exact_Mass	422.13789045
72589	Total_Formal_Charge	0
32068	Undefined_Bond_Stereo_Count	0
112030	Total_Formal_Charge	0
9845622	Total_Formal_Charge	0
19235	TPSA	271
4201	Covalent_Unit_Count	1
23663412	Total_Formal_Charge	0
5281897	Isotope_Atom_Count	0
13401682	TPSA	33
439503	Total_Formal_Charge	0
443101	Tautomer_Count	208
5199	TPSA	348
5284645	Defined_Bond_Stereo_Count	1
53863747	Defined_Bond_Stereo_Count	0
23441	TPSA	74.6
136504	Structure_Complexity	50
62904	Hydrogen_Bond_Acceptor_Count	8
14280898	Hydrogen_Bond_Acceptor_Count	2
15356533	Isotope_Atom_Count	0
646135	Undefined_Bond_Stereo_Count	0
41442	Rotatable_Bond_Count	3
18962468	Isotope_Atom_Count	0
7374	Undefined_Bond_Stereo_Count	0
5284534	Defined_Atom_Stereo_Count	17
4354	Defined_Atom_Stereo_Count	0
136362	Hydrogen_Bond_Donor_Count	2
118371793	Structure_Complexity	171
136270342	Mono_Isotopic_Weight	99.032028402
57760	Molecular_Weight	423.4
46490	Defined_Atom_Stereo_Count	0
6918589	Covalent_Unit_Count	1
12242824	Non-hydrogen_Atom_Count	11
67191	TPSA	86.7
6918193	Undefined_Atom_Stereo_Count	0
15090448	Isotope_Atom_Count	0
129888394	Defined_Atom_Stereo_Count	0
42807	Isotope_Atom_Count	0
628127	Isotope_Atom_Count	0
21282995	Total_Formal_Charge	0
12867427	Covalent_Unit_Count	1
24883466	Rotatable_Bond_Count	15
76688	TPSA	26
15194034	Defined_Bond_Stereo_Count	0
518234	Hydrogen_Bond_Donor_Count	0
91881846	Rotatable_Bond_Count	7
5991	Structure_Complexity	505
3494	Undefined_Bond_Stereo_Count	0
10693	Isotope_Atom_Count	0
21940	Defined_Bond_Stereo_Count	0
67713	Total_Formal_Charge	0
134008	Defined_Bond_Stereo_Count	0
141024055	Covalent_Unit_Count	1
66137	Isotope_Atom_Count	0
11587584	Molecular_Weight	306.4
134688093	Exact_Mass	804.46599222
3527278	Defined_Atom_Stereo_Count	0
5208	Rotatable_Bond_Count	3
77737505	Hydrogen_Bond_Donor_Count	1
163436244	Undefined_Bond_Stereo_Count	1
126290	Tautomer_Count	2
10252	Defined_Bond_Stereo_Count	0
476	Isotope_Atom_Count	0
90614	TPSA	87.4
124069	Tautomer_Count	1
250629	Rotatable_Bond_Count	0
41331	Rotatable_Bond_Count	4
476770	XLogP3-AA	6.4
571982	XLogP3-AA	6.1
47685	Tautomer_Count	1
59693	Hydrogen_Bond_Donor_Count	0
54033586	Covalent_Unit_Count	1
10472	Tautomer_Count	1
83433	Molecular_Weight	556.7
23284	Non-hydrogen_Atom_Count	20
587322	Rotatable_Bond_Count	6
180098	Hydrogen_Bond_Donor_Count	3
9820034	Total_Formal_Charge	0
13653621	Undefined_Atom_Stereo_Count	2
533884	Molecular_Weight	99.17
4369491	XLogP3-AA	3.5
70916	Hydrogen_Bond_Donor_Count	0
6335436	Undefined_Atom_Stereo_Count	0
5284529	Hydrogen_Bond_Acceptor_Count	7
539244	Structure_Complexity	1020
135407408	Defined_Bond_Stereo_Count	0
68081017	Total_Formal_Charge	0
6452618	Rotatable_Bond_Count	8
156882	XLogP3-AA	5.6
87310	Tautomer_Count	1
161236	Structure_Complexity	372
12423177	Undefined_Atom_Stereo_Count	0
6282	Covalent_Unit_Count	3
53348188	Rotatable_Bond_Count	15
139600236	TPSA	49.7
52941462	Exact_Mass	350.199428076
1779	Defined_Atom_Stereo_Count	0
239377	Isotope_Atom_Count	0
11652865	Exact_Mass	332.04669266
14094186	Exact_Mass	99.043261792
27112	TPSA	89.7
447877	Molecular_Weight	937.8
145971	XLogP3	0.3
60820	Rotatable_Bond_Count	6
73603	Defined_Bond_Stereo_Count	0
10934	Non-hydrogen_Atom_Count	7
72728690	Total_Formal_Charge	0
67233953	Defined_Bond_Stereo_Count	0
551434	Hydrogen_Bond_Donor_Count	1
75868	Molecular_Weight	272.21
161930	Molecular_Weight	311.29
72099	Undefined_Bond_Stereo_Count	0
4369451	Rotatable_Bond_Count	3
89127533	Total_Formal_Charge	0
543855	Hydrogen_Bond_Donor_Count	1
35378	Exact_Mass	347.0924357
122174240	TPSA	75.6
43095	Defined_Bond_Stereo_Count	0
57607	Defined_Bond_Stereo_Count	0
16680	TPSA	52.6
644102	Structure_Complexity	124
522448	Exact_Mass	100.088815002
23665874	Non-hydrogen_Atom_Count	17
69932654	Hydrogen_Bond_Acceptor_Count	3
101988841	Rotatable_Bond_Count	0
105054	Exact_Mass	380.7134
22944534	Hydrogen_Bond_Donor_Count	0
2064030	Exact_Mass	295.96981
24848232	Defined_Bond_Stereo_Count	0
15707	Undefined_Atom_Stereo_Count	1
9679	Isotope_Atom_Count	0
57238241	Rotatable_Bond_Count	1
20188118	Hydrogen_Bond_Acceptor_Count	2
13462200	Hydrogen_Bond_Donor_Count	1
107952	Structure_Complexity	286
101946434	Non-hydrogen_Atom_Count	1
14072448	Structure_Complexity	78.4
6754	Undefined_Bond_Stereo_Count	0
71590622	Undefined_Atom_Stereo_Count	1
22157549	XLogP3-AA	6.7
115205	Tautomer_Count	3
140934984	Rotatable_Bond_Count	0
197740	Total_Formal_Charge	0
11604525	Undefined_Atom_Stereo_Count	0
208	Molecular_Weight	260.14
25657	Hydrogen_Bond_Acceptor_Count	1
4051	Structure_Complexity	634
12547675	TPSA	26
3700118	XLogP3-AA	2.2
23405789	Exact_Mass	480.1775624
19309	Defined_Bond_Stereo_Count	0
46942	Mono_Isotopic_Weight	204.220163521
692366	Rotatable_Bond_Count	3
90813484	Total_Formal_Charge	0
27882	Hydrogen_Bond_Acceptor_Count	2
274412	Undefined_Atom_Stereo_Count	0
11951725	Total_Formal_Charge	0
1133320	Structure_Complexity	573
72739321	Molecular_Weight	96.13
90657669	Structure_Complexity	1220
13511919	Isotope_Atom_Count	0
98685	Isotope_Atom_Count	0
70837	Hydrogen_Bond_Acceptor_Count	4
4638	Undefined_Bond_Stereo_Count	1
18410302	Hydrogen_Bond_Donor_Count	1
89261068	Molecular_Weight	114.15
10820489	Molecular_Weight	111.14
104276777	Structure_Complexity	120
18377249	Molecular_Weight	111.14
5288565	Mono_Isotopic_Weight	906.11834383
47608	Exact_Mass	269.12766012
80875	Hydrogen_Bond_Donor_Count	0
54324318	TPSA	43.6
5353510	TPSA	201
909	Undefined_Atom_Stereo_Count	1
51030053	Covalent_Unit_Count	1
130169	Isotope_Atom_Count	0
85538	Rotatable_Bond_Count	5
87280891	Isotope_Atom_Count	0
102311438	Isotope_Atom_Count	0
22024864	Exact_Mass	99.068413911
16220011	Covalent_Unit_Count	1
15092989	XLogP3-AA	0.4
129652160	Structure_Complexity	233
16021	TPSA	20.2
57855562	Mono_Isotopic_Weight	82.078250319
3855171	Structure_Complexity	375
5462814	Covalent_Unit_Count	1
57345538	Covalent_Unit_Count	1
79811	Undefined_Bond_Stereo_Count	0
907170	Mono_Isotopic_Weight	289.16779360
537387	Hydrogen_Bond_Donor_Count	0
6418	Covalent_Unit_Count	1
65776	Molecular_Weight	350.5
7999	Molecular_Weight	288.70
156619387	Defined_Bond_Stereo_Count	3
129720364	Non-hydrogen_Atom_Count	20
78819	Defined_Bond_Stereo_Count	0
524629	Undefined_Atom_Stereo_Count	2
93184	Defined_Bond_Stereo_Count	0
76223462	Rotatable_Bond_Count	2
137944176	Covalent_Unit_Count	1
46204458	Total_Formal_Charge	0
558363	Covalent_Unit_Count	1
5486705	Hydrogen_Bond_Acceptor_Count	13
15504	XLogP3-AA	4
64772	Structure_Complexity	694
53931	Defined_Bond_Stereo_Count	0
135121698	Molecular_Weight	104.07
37524	Tautomer_Count	1
449355	Non-hydrogen_Atom_Count	44
33733	Undefined_Atom_Stereo_Count	0
5071450	Tautomer_Count	2
51042	TPSA	0
5356697	Molecular_Weight	82.10
17982942	Structure_Complexity	76.8
14478661	Structure_Complexity	72.5
124040753	XLogP3	1.4
251219	Exact_Mass	226.15689456
23349	Covalent_Unit_Count	1
3527810	Hydrogen_Bond_Donor_Count	2
446576	Covalent_Unit_Count	1
68002	TPSA	74
176167	Undefined_Atom_Stereo_Count	0
739374	Non-hydrogen_Atom_Count	16
68321924	Total_Formal_Charge	0
53232451	Mono_Isotopic_Weight	355.13569983
53629499	Isotope_Atom_Count	0
20494989	Rotatable_Bond_Count	0
63935844	Total_Formal_Charge	0
13028028	Hydrogen_Bond_Acceptor_Count	2
92722	Hydrogen_Bond_Donor_Count	5
76217	Undefined_Bond_Stereo_Count	0
1725	TPSA	75.9
98527	Hydrogen_Bond_Donor_Count	1
65564	Undefined_Atom_Stereo_Count	0
5319	Exact_Mass	276.05686342
11400707	Undefined_Bond_Stereo_Count	0
15940170	Exact_Mass	474.17390455
11619519	TPSA	94.2
8015	Molecular_Weight	68.08
4635	Defined_Atom_Stereo_Count	0
378443	Hydrogen_Bond_Donor_Count	0
17895808	Total_Formal_Charge	0
73185506	TPSA	9.2
16117309	Isotope_Atom_Count	0
87962	Molecular_Weight	205.30
224242	Mono_Isotopic_Weight	100.088815002
30541	Non-hydrogen_Atom_Count	20
22081030	Hydrogen_Bond_Donor_Count	0
818183	Undefined_Bond_Stereo_Count	0
47471	Mono_Isotopic_Weight	473.013446
8199	Defined_Atom_Stereo_Count	0
6992032	Tautomer_Count	3
46783795	Defined_Atom_Stereo_Count	8
16136912	Structure_Complexity	3700
1016	Defined_Atom_Stereo_Count	0
87485	Isotope_Atom_Count	0
3021	Rotatable_Bond_Count	6
713762	Hydrogen_Bond_Acceptor_Count	5
5094384	Rotatable_Bond_Count	0
65483	Total_Formal_Charge	0
185617	Hydrogen_Bond_Donor_Count	7
12607584	Hydrogen_Bond_Acceptor_Count	2
44392105	Exact_Mass	460.2281414
45266540	Structure_Complexity	1470
16492	Isotope_Atom_Count	0
68746916	Mono_Isotopic_Weight	518.14577163
56841013	Mono_Isotopic_Weight	548.03898
32209	Structure_Complexity	392
57384040	Defined_Bond_Stereo_Count	0
136237316	Hydrogen_Bond_Acceptor_Count	7
101576	Mono_Isotopic_Weight	181.089149355
439568	XLogP3	2.7
84647652	TPSA	58.9
443046	XLogP3	6.1
87303552	Covalent_Unit_Count	1
3793749	Defined_Bond_Stereo_Count	0
11137101	Undefined_Atom_Stereo_Count	0
82337	Rotatable_Bond_Count	2
44576048	Undefined_Atom_Stereo_Count	0
347477	Covalent_Unit_Count	1
746471	Rotatable_Bond_Count	3
2723706	Rotatable_Bond_Count	2
146158432	Exact_Mass	531.24683176
11062335	Covalent_Unit_Count	1
138971591	Undefined_Atom_Stereo_Count	1
30924	TPSA	32.9
53480934	Defined_Atom_Stereo_Count	1
12116847	Hydrogen_Bond_Acceptor_Count	4
92763	Covalent_Unit_Count	1
5310979	TPSA	138
5359327	Hydrogen_Bond_Donor_Count	0
87032	Non-hydrogen_Atom_Count	14
24678	Undefined_Bond_Stereo_Count	0
12203051	Defined_Bond_Stereo_Count	0
128882	Undefined_Bond_Stereo_Count	0
9950094	Molecular_Weight	345.8
91408078	Isotope_Atom_Count	0
3790985	Total_Formal_Charge	0
60924	Structure_Complexity	293
70545463	Mono_Isotopic_Weight	95.073499291
94228	Tautomer_Count	1
123178351	Mono_Isotopic_Weight	99.104799419
129856713	Molecular_Weight	176.14
43598	Non-hydrogen_Atom_Count	15
102551	Non-hydrogen_Atom_Count	11
5250834	Mono_Isotopic_Weight	150.128274515
6194	Hydrogen_Bond_Acceptor_Count	3
984454	XLogP3-AA	5.4
90779122	Non-hydrogen_Atom_Count	7
11154496	Defined_Atom_Stereo_Count	0
105427130	Structure_Complexity	77.7
58550596	Isotope_Atom_Count	0
5281894	Mono_Isotopic_Weight	238.062994177
11852355	Molecular_Weight	376.5
16726630	TPSA	86
61278	Exact_Mass	86.036779430
83891	Defined_Bond_Stereo_Count	0
2766744	Exact_Mass	362.0200529
1717915	Defined_Bond_Stereo_Count	0
214350	Non-hydrogen_Atom_Count	24
65664	Covalent_Unit_Count	1
10597	Rotatable_Bond_Count	0
522946	Undefined_Atom_Stereo_Count	0
447466	Mono_Isotopic_Weight	70.041864811
129704588	Hydrogen_Bond_Donor_Count	3
102552746	Undefined_Atom_Stereo_Count	1
439839	Exact_Mass	100.088815002
67518639	Hydrogen_Bond_Acceptor_Count	6
49288	Mono_Isotopic_Weight	258.10381361
72978296	Exact_Mass	115.063328530
584	Isotope_Atom_Count	0
6927356	Non-hydrogen_Atom_Count	12
11850698	Rotatable_Bond_Count	6
88875	Hydrogen_Bond_Donor_Count	0
9999	Undefined_Bond_Stereo_Count	0
119086018	Non-hydrogen_Atom_Count	8
34756	Defined_Bond_Stereo_Count	0
10289038	Exact_Mass	491.23212518
99486	Covalent_Unit_Count	1
62582	Hydrogen_Bond_Acceptor_Count	0
13611193	Exact_Mass	108.093900383
700865	TPSA	72.1
22924371	Hydrogen_Bond_Acceptor_Count	2
51030897	Covalent_Unit_Count	1
10486	Undefined_Bond_Stereo_Count	0
160435	Undefined_Bond_Stereo_Count	0
134687034	Total_Formal_Charge	0
51930	Tautomer_Count	1
90800669	Rotatable_Bond_Count	1
129651092	Defined_Atom_Stereo_Count	1
5281055	Mono_Isotopic_Weight	473.12567125
46225290	Covalent_Unit_Count	1
10497540	Rotatable_Bond_Count	4
20441	Undefined_Atom_Stereo_Count	0
82131	Exact_Mass	213.96294
234041	Undefined_Bond_Stereo_Count	2
22386229	Structure_Complexity	53.7
98053103	Isotope_Atom_Count	0
13333	TPSA	35.9
7103	Covalent_Unit_Count	1
10307909	Non-hydrogen_Atom_Count	14
13639781	Hydrogen_Bond_Donor_Count	0
91264731	Total_Formal_Charge	0
5757	Hydrogen_Bond_Acceptor_Count	2
21184953	Molecular_Weight	97.12
60653	Undefined_Atom_Stereo_Count	1
68499424	Mono_Isotopic_Weight	96.068748264
85546	Undefined_Atom_Stereo_Count	0
439763	Mono_Isotopic_Weight	483.30184471
223578	Mono_Isotopic_Weight	330.21949481
6599	Molecular_Weight	121.23
28125489	Molecular_Weight	234.31
15293	Undefined_Atom_Stereo_Count	0
5256228	Undefined_Atom_Stereo_Count	0
46204396	Defined_Bond_Stereo_Count	0
23989	Tautomer_Count	70
54755438	Non-hydrogen_Atom_Count	34
92159	Defined_Atom_Stereo_Count	0
5473310	Non-hydrogen_Atom_Count	21
123134032	Undefined_Bond_Stereo_Count	0
51347395	Molecular_Weight	415.33
136231689	Total_Formal_Charge	0
70281073	Exact_Mass	387.17289623
12347357	Structure_Complexity	98.7
5462507	Non-hydrogen_Atom_Count	24
145454105	Defined_Atom_Stereo_Count	3
56625	Covalent_Unit_Count	1
6429	Defined_Atom_Stereo_Count	0
82616	Non-hydrogen_Atom_Count	10
119101	Undefined_Atom_Stereo_Count	0
61059	Covalent_Unit_Count	1
534471	Hydrogen_Bond_Acceptor_Count	2
1261	Undefined_Atom_Stereo_Count	1
101582408	Molecular_Weight	531.6
4567	Hydrogen_Bond_Donor_Count	3
72474	Hydrogen_Bond_Donor_Count	2
71697	XLogP3-AA	4
22202	Non-hydrogen_Atom_Count	10
68321915	Non-hydrogen_Atom_Count	25
12948	TPSA	129
101116130	Mono_Isotopic_Weight	108.032362755
76964745	Structure_Complexity	410
353481	Hydrogen_Bond_Donor_Count	8
162678	Undefined_Bond_Stereo_Count	0
1886	Exact_Mass	438.20423867
18442682	Mono_Isotopic_Weight	113.084063974
452521	Covalent_Unit_Count	1
439517	Tautomer_Count	2
57687	Hydrogen_Bond_Acceptor_Count	4
66545764	Non-hydrogen_Atom_Count	37
112680	Molecular_Weight	100.16
7802604	Isotope_Atom_Count	0
15577855	Hydrogen_Bond_Donor_Count	0
10895019	Covalent_Unit_Count	1
142538	Undefined_Atom_Stereo_Count	2
133057415	Undefined_Bond_Stereo_Count	0
24723	Isotope_Atom_Count	0
25799416	Structure_Complexity	189
13247016	Undefined_Atom_Stereo_Count	1
9833407	Rotatable_Bond_Count	19
535856	Defined_Bond_Stereo_Count	0
6944	Undefined_Bond_Stereo_Count	0
61325	Defined_Bond_Stereo_Count	0
71698	XLogP3	2.3
10419143	Total_Formal_Charge	0
135887832	Hydrogen_Bond_Acceptor_Count	14
59772	Molecular_Weight	413.5
131225344	Rotatable_Bond_Count	0
12200749	Mono_Isotopic_Weight	96.068748264
181134	Hydrogen_Bond_Donor_Count	0
12940550	TPSA	40.5
10256734	XLogP3-AA	1.8
517922	Isotope_Atom_Count	0
3444	Tautomer_Count	1
92237	TPSA	202
3739682	Non-hydrogen_Atom_Count	24
9841596	Undefined_Bond_Stereo_Count	0
9971484	Undefined_Bond_Stereo_Count	0
67742	Covalent_Unit_Count	1
3869	Defined_Atom_Stereo_Count	0
521280	Tautomer_Count	1
75445	Non-hydrogen_Atom_Count	36
687604	Undefined_Bond_Stereo_Count	0
12185	Non-hydrogen_Atom_Count	7
78361	Undefined_Atom_Stereo_Count	0
166534	Hydrogen_Bond_Acceptor_Count	6
133268467	Hydrogen_Bond_Acceptor_Count	3
77676	TPSA	51.8
90983396	Covalent_Unit_Count	1
84605	TPSA	38.3
13627693	Structure_Complexity	78.6
4119106	Defined_Atom_Stereo_Count	0
59540609	Rotatable_Bond_Count	2
10290734	Isotope_Atom_Count	0
4223	Covalent_Unit_Count	1
71850	Rotatable_Bond_Count	4
44273397	XLogP3-AA	4
98790	Hydrogen_Bond_Acceptor_Count	1
20746480	Defined_Bond_Stereo_Count	0
69332601	Covalent_Unit_Count	1
12151528	Structure_Complexity	56
4235600	Isotope_Atom_Count	0
10475	Molecular_Weight	133.886
11589453	Hydrogen_Bond_Donor_Count	1
20514191	Hydrogen_Bond_Donor_Count	1
72049	Non-hydrogen_Atom_Count	35
133562683	Molecular_Weight	721.8
5483	Isotope_Atom_Count	0
15983988	Covalent_Unit_Count	1
50896	Rotatable_Bond_Count	6
23090608	Hydrogen_Bond_Acceptor_Count	2
11060	Undefined_Atom_Stereo_Count	0
442027	Defined_Bond_Stereo_Count	0
104726	Defined_Atom_Stereo_Count	0
60196333	Undefined_Atom_Stereo_Count	0
97497	Defined_Atom_Stereo_Count	0
13359	Undefined_Bond_Stereo_Count	0
61191	Covalent_Unit_Count	1
44557636	Hydrogen_Bond_Donor_Count	0
10964	Total_Formal_Charge	0
16049374	Defined_Bond_Stereo_Count	0
44442065	Defined_Bond_Stereo_Count	0
8599	Structure_Complexity	583
1250	Rotatable_Bond_Count	0
58436	Hydrogen_Bond_Donor_Count	1
21940	Isotope_Atom_Count	0
119307	Undefined_Bond_Stereo_Count	0
6439929	XLogP3-AA	3.9
6992027	Defined_Bond_Stereo_Count	0
17902163	TPSA	58.7
6604909	Defined_Atom_Stereo_Count	1
44455010	XLogP3-AA	2.5
68638786	Total_Formal_Charge	0
3435	Exact_Mass	225.03857033
22779	Undefined_Atom_Stereo_Count	1
60662	Total_Formal_Charge	0
5282200	Undefined_Bond_Stereo_Count	0
106	Exact_Mass	185.00892397
66733	Exact_Mass	217.05613515
5330	Mono_Isotopic_Weight	280.06301143
18923031	Total_Formal_Charge	0
71458868	XLogP3-AA	5.2
2659	Undefined_Atom_Stereo_Count	2
1801	Exact_Mass	160.074896272
66558664	Isotope_Atom_Count	0
52940883	Exact_Mass	355.11323305
54069261	Undefined_Atom_Stereo_Count	1
41331	Mono_Isotopic_Weight	144.04225873
59729233	Covalent_Unit_Count	1
8212	Molecular_Weight	302.9
46203882	Rotatable_Bond_Count	1
123751374	Undefined_Atom_Stereo_Count	1
43517	Non-hydrogen_Atom_Count	21
53487898	Rotatable_Bond_Count	111
566597	Defined_Bond_Stereo_Count	0
96389	Total_Formal_Charge	0
3526102	Undefined_Atom_Stereo_Count	0
70255	Rotatable_Bond_Count	0
8309	Defined_Bond_Stereo_Count	0
44720578	Undefined_Bond_Stereo_Count	0
50891	Hydrogen_Bond_Acceptor_Count	0
216295	Exact_Mass	484.31216641
5205	Hydrogen_Bond_Acceptor_Count	1
74811	Hydrogen_Bond_Acceptor_Count	2
31432	Undefined_Atom_Stereo_Count	0
91469448	Rotatable_Bond_Count	0
71310692	TPSA	60.7
2950	Defined_Atom_Stereo_Count	0
416	Exact_Mass	368.12196560
139105	Tautomer_Count	1
5280804	Hydrogen_Bond_Donor_Count	8
13235324	Undefined_Bond_Stereo_Count	0
66036956	Isotope_Atom_Count	0
21894763	Defined_Atom_Stereo_Count	0
141201	TPSA	0
60602	Undefined_Atom_Stereo_Count	0
147556052	Undefined_Bond_Stereo_Count	0
12695916	Undefined_Atom_Stereo_Count	2
56834575	Hydrogen_Bond_Acceptor_Count	7
27868	TPSA	26.3
57429034	Structure_Complexity	97.2
3037161	Rotatable_Bond_Count	5
37059	Undefined_Atom_Stereo_Count	2
67233953	Isotope_Atom_Count	0
86254	Hydrogen_Bond_Acceptor_Count	1
86063	Exact_Mass	183.06439116
44310710	Hydrogen_Bond_Donor_Count	0
11940	Molecular_Weight	180.24
5368076	Non-hydrogen_Atom_Count	12
81531	Hydrogen_Bond_Acceptor_Count	1
172306	Isotope_Atom_Count	0
23685849	Mono_Isotopic_Weight	212.06606779
18989672	Hydrogen_Bond_Acceptor_Count	0
7979	Isotope_Atom_Count	0
5464200	Undefined_Bond_Stereo_Count	0
443158	Exact_Mass	154.135765193
3035235	Molecular_Weight	341.4
10011870	Total_Formal_Charge	0
7379	Mono_Isotopic_Weight	164.120115130
131714458	Mono_Isotopic_Weight	395.03581088
6420041	Molecular_Weight	408.2
53873414	Defined_Bond_Stereo_Count	0
135413504	TPSA	83.1
24840945	Mono_Isotopic_Weight	127.099714038
6048	Defined_Atom_Stereo_Count	0
11205	Exact_Mass	331.66925
25222253	Molecular_Weight	231.11
51505	Rotatable_Bond_Count	10
11269429	Mono_Isotopic_Weight	394.25079494
24183437	Covalent_Unit_Count	2
103656	XLogP3-AA	2
24973796	Total_Formal_Charge	0
92764	Molecular_Weight	254.3
6538985	Total_Formal_Charge	0
129631047	Mono_Isotopic_Weight	657.83124
10295295	Mono_Isotopic_Weight	414.230728204
5359272	Total_Formal_Charge	0
6893	Molecular_Weight	121.18
398597	Rotatable_Bond_Count	7
89311461	TPSA	46.1
100698	Molecular_Weight	93.08
6420038	Rotatable_Bond_Count	7
131801164	Rotatable_Bond_Count	7
151257062	Total_Formal_Charge	0
128847	Covalent_Unit_Count	1
7088	Tautomer_Count	1
63033	Molecular_Weight	499.0
94229	Hydrogen_Bond_Donor_Count	1
4034	Structure_Complexity	448
32798	TPSA	80.7
10217	Molecular_Weight	337.4
13208114	Undefined_Bond_Stereo_Count	0
54682469	Defined_Atom_Stereo_Count	5
129407	Molecular_Weight	501.8
447077	TPSA	83.4
24766296	Mono_Isotopic_Weight	686.30507491
23698052	Covalent_Unit_Count	2
6918295	Total_Formal_Charge	0
34230	Molecular_Weight	725.0
54575456	Hydrogen_Bond_Donor_Count	2
11848	Defined_Bond_Stereo_Count	0
689784	Non-hydrogen_Atom_Count	24
10723	Mono_Isotopic_Weight	148.088815002
21030991	XLogP3	0.3
114869	TPSA	90.4
82752	Molecular_Weight	398.6
71451930	Structure_Complexity	953
17050	Total_Formal_Charge	0
71012	Hydrogen_Bond_Acceptor_Count	1
527511	Structure_Complexity	62.8
53993017	Defined_Bond_Stereo_Count	0
23549397	Exact_Mass	114.104465066
443380	Mono_Isotopic_Weight	399.22570239
46856340	Covalent_Unit_Count	3
15953353	Mono_Isotopic_Weight	446.19470727
54445181	Isotope_Atom_Count	1
3813	Defined_Bond_Stereo_Count	0
2723754	Structure_Complexity	229
25056	Hydrogen_Bond_Donor_Count	0
5641	Defined_Bond_Stereo_Count	0
135465079	Mono_Isotopic_Weight	194.105527694
449015	Hydrogen_Bond_Acceptor_Count	4
34001	Non-hydrogen_Atom_Count	23
134692366	Exact_Mass	413.22743373
10192563	Tautomer_Count	1
73707356	Mono_Isotopic_Weight	450.27298694
10992	XLogP3	3.6
11414	XLogP3	3.6
10341154	Defined_Atom_Stereo_Count	0
549294	Covalent_Unit_Count	1
10201696	Rotatable_Bond_Count	7
700611	Structure_Complexity	326
9985579	Rotatable_Bond_Count	11
84693	Defined_Atom_Stereo_Count	0
80542	Rotatable_Bond_Count	4
96772	Total_Formal_Charge	0
136224833	Rotatable_Bond_Count	3
60047	TPSA	127
122608345	Total_Formal_Charge	0
54676715	Rotatable_Bond_Count	9
5319880	Isotope_Atom_Count	0
9909392	Non-hydrogen_Atom_Count	29
535031	Hydrogen_Bond_Donor_Count	0
59508	Exact_Mass	390.34843804
7915	Rotatable_Bond_Count	2
544380	Rotatable_Bond_Count	1
145721395	Exact_Mass	839.18163
75496	Undefined_Bond_Stereo_Count	0
6419928	Undefined_Atom_Stereo_Count	0
71743826	Exact_Mass	112.088815002
87689	XLogP3-AA	6.3
8283	Defined_Bond_Stereo_Count	0
153665501	Undefined_Atom_Stereo_Count	2
74859	Total_Formal_Charge	0
439575	Defined_Atom_Stereo_Count	1
444683	Mono_Isotopic_Weight	74.073164938
14743	Exact_Mass	420.26644501
51629	Mono_Isotopic_Weight	408.1716891
8413	Exact_Mass	212.131348519
12100	Non-hydrogen_Atom_Count	9
123744867	Non-hydrogen_Atom_Count	7
10867835	Exact_Mass	221.09292838
9938420	Undefined_Bond_Stereo_Count	0
53817503	Undefined_Bond_Stereo_Count	0
24737670	Structure_Complexity	529
27924	Hydrogen_Bond_Acceptor_Count	8
5484444	Rotatable_Bond_Count	4
6343	TPSA	1
184644	Exact_Mass	856.39266112
159778730	Undefined_Bond_Stereo_Count	0
309266	Rotatable_Bond_Count	2
9576002	Isotope_Atom_Count	0
6591	Structure_Complexity	26.5
22979	Total_Formal_Charge	0
6918639	Molecular_Weight	542.33
235303	Hydrogen_Bond_Donor_Count	1
5353843	Defined_Bond_Stereo_Count	1
151129985	Hydrogen_Bond_Acceptor_Count	3
616651	Isotope_Atom_Count	0
61614676	Covalent_Unit_Count	1
14578458	Exact_Mass	101.084063974
60196440	Undefined_Bond_Stereo_Count	0
11636326	Covalent_Unit_Count	1
78808	Structure_Complexity	69.2
12685	Non-hydrogen_Atom_Count	9
129652530	Hydrogen_Bond_Acceptor_Count	4
13493719	Structure_Complexity	45.3
12962871	Defined_Bond_Stereo_Count	0
85614476	Defined_Atom_Stereo_Count	0
2434	Undefined_Bond_Stereo_Count	0
21438815	Structure_Complexity	99.9
6978	XLogP3	2
84921	TPSA	20.3
129627923	Exact_Mass	271.99333348
9549179	Isotope_Atom_Count	0
130589021	Undefined_Bond_Stereo_Count	0
17753992	Defined_Atom_Stereo_Count	3
449355	Hydrogen_Bond_Donor_Count	3
51026956	Undefined_Bond_Stereo_Count	0
28639	Tautomer_Count	1
228005	TPSA	0
11814656	XLogP3-AA	5.5
80108693	Undefined_Atom_Stereo_Count	0
439468	Isotope_Atom_Count	0
839	Exact_Mass	163.04807239
86607	Rotatable_Bond_Count	4
13570516	XLogP3-AA	1.4
68489225	Hydrogen_Bond_Acceptor_Count	6
5005	TPSA	95.9
41632	Non-hydrogen_Atom_Count	20
522105	Isotope_Atom_Count	0
5315472	Exact_Mass	308.10485899
56202	Isotope_Atom_Count	0
73449854	Structure_Complexity	1020
68718	TPSA	193
10850	XLogP3-AA	8.9
54132691	Undefined_Bond_Stereo_Count	0
12604	Defined_Bond_Stereo_Count	0
95200	Total_Formal_Charge	0
49865973	Undefined_Atom_Stereo_Count	0
1077757	Defined_Atom_Stereo_Count	0
12271349	Undefined_Atom_Stereo_Count	2
3299	Defined_Atom_Stereo_Count	0
10909502	Covalent_Unit_Count	1
10523409	Structure_Complexity	388
9893474	Defined_Atom_Stereo_Count	0
67511	Exact_Mass	86.036779430
351770	Tautomer_Count	2
23519822	Rotatable_Bond_Count	6
11614	Structure_Complexity	43.3
56928166	Undefined_Atom_Stereo_Count	2
17355	Rotatable_Bond_Count	3
56935	Hydrogen_Bond_Acceptor_Count	4
13486	Rotatable_Bond_Count	4
82362	Non-hydrogen_Atom_Count	46
65452	Defined_Atom_Stereo_Count	19
10419146	Molecular_Weight	112.17
78328	Hydrogen_Bond_Acceptor_Count	3
13214209	Non-hydrogen_Atom_Count	8
71571512	Covalent_Unit_Count	1
46866319	Isotope_Atom_Count	0
18170	Hydrogen_Bond_Donor_Count	0
53486446	Defined_Bond_Stereo_Count	2
71437313	XLogP3-AA	0.8
44349142	Exact_Mass	765.42004509
9949848	Exact_Mass	340.240230259
54679076	Undefined_Atom_Stereo_Count	0
135071	Exact_Mass	322.15452557
3140955	Hydrogen_Bond_Acceptor_Count	5
13570060	Undefined_Bond_Stereo_Count	0
19437571	Exact_Mass	112.088815002
62275	Isotope_Atom_Count	0
135434844	Total_Formal_Charge	0
15511	Mono_Isotopic_Weight	104.06597156
31426	Exact_Mass	267.05315777
88706	Exact_Mass	318.0407345
132471895	Covalent_Unit_Count	1
7333	Mono_Isotopic_Weight	239.142247555
7021156	Undefined_Atom_Stereo_Count	0
86356	TPSA	35
57514167	TPSA	67.5
11546	XLogP3-AA	1.6
44257207	Rotatable_Bond_Count	3
165946121	Non-hydrogen_Atom_Count	8
22719613	Defined_Atom_Stereo_Count	0
3073200	Structure_Complexity	421
120393	Defined_Bond_Stereo_Count	0
3598879	Exact_Mass	165.06122053
11916	Non-hydrogen_Atom_Count	11
270563	Mono_Isotopic_Weight	219.98876
21227	Exact_Mass	114.068079557
21852	Rotatable_Bond_Count	2
54362500	XLogP3-AA	0.2
3966	Total_Formal_Charge	0
23729877	Defined_Atom_Stereo_Count	0
31057	Defined_Atom_Stereo_Count	0
52941568	Defined_Atom_Stereo_Count	0
243	Molecular_Weight	122.12
11278075	Rotatable_Bond_Count	0
45266541	Hydrogen_Bond_Donor_Count	5
53704432	Exact_Mass	116.083729621
10133071	Hydrogen_Bond_Acceptor_Count	6
13758360	XLogP3-AA	0.9
6327546	Rotatable_Bond_Count	4
69442897	Total_Formal_Charge	0
88154	Hydrogen_Bond_Donor_Count	3
31411	Non-hydrogen_Atom_Count	30
209257	XLogP3-AA	0.4
165339	Isotope_Atom_Count	0
445575	Molecular_Weight	388.5
18386435	Hydrogen_Bond_Acceptor_Count	4
68791	Tautomer_Count	5
10734	Structure_Complexity	154
2969	Exact_Mass	172.146329876
13317841	Non-hydrogen_Atom_Count	8
4211	Mono_Isotopic_Weight	317.953661
58512812	Undefined_Bond_Stereo_Count	0
20058	Structure_Complexity	660
10130220	Defined_Atom_Stereo_Count	4
5057599	Defined_Bond_Stereo_Count	0
208838	Structure_Complexity	379
88948	Hydrogen_Bond_Acceptor_Count	4
2237	Covalent_Unit_Count	1
50997747	Hydrogen_Bond_Donor_Count	0
9746	XLogP3	0.8
74652199	TPSA	55.3
70715	TPSA	64.7
19965	Mono_Isotopic_Weight	96.093900383
83859	Molecular_Weight	439.0
14865900	Non-hydrogen_Atom_Count	8
89185	Covalent_Unit_Count	1
7495	Covalent_Unit_Count	1
44454958	Defined_Atom_Stereo_Count	1
83909	TPSA	29.5
54676537	Undefined_Atom_Stereo_Count	1
22580	Defined_Atom_Stereo_Count	0
72	Isotope_Atom_Count	0
135860757	Hydrogen_Bond_Donor_Count	1
61207	Total_Formal_Charge	0
7778	Tautomer_Count	1
13847709	Defined_Atom_Stereo_Count	1
15132	Non-hydrogen_Atom_Count	11
2400	Exact_Mass	341.116426730
92943	Exact_Mass	392.246378268
9576891	Defined_Bond_Stereo_Count	1
6252910	Hydrogen_Bond_Acceptor_Count	8
135565940	Isotope_Atom_Count	0
71752170	Hydrogen_Bond_Donor_Count	1
7470	Tautomer_Count	6
16682999	Molecular_Weight	395.10
42613186	Structure_Complexity	873
62706165	XLogP3-AA	3.7
6438895	Isotope_Atom_Count	0
12573	XLogP3-AA	3.1
12151528	Molecular_Weight	97.12
6457	TPSA	20.2
11409972	Mono_Isotopic_Weight	529.24130771
86585	Defined_Bond_Stereo_Count	0
73608879	Undefined_Bond_Stereo_Count	0
13485104	Undefined_Atom_Stereo_Count	1
358	Defined_Bond_Stereo_Count	0
441451	Tautomer_Count	1
16047027	Structure_Complexity	954
5318537	Undefined_Atom_Stereo_Count	0
54081	Hydrogen_Bond_Acceptor_Count	3
66666	Exact_Mass	130.078250319
9808844	Hydrogen_Bond_Donor_Count	2
134129858	Undefined_Atom_Stereo_Count	0
53977611	Exact_Mass	102.068079557
57519510	Defined_Bond_Stereo_Count	0
2596914	Mono_Isotopic_Weight	372.11437830
23667634	Defined_Atom_Stereo_Count	4
41466	Defined_Atom_Stereo_Count	0
15561101	Defined_Bond_Stereo_Count	0
135977933	Undefined_Bond_Stereo_Count	0
3623	Exact_Mass	275.15214353
97006	Hydrogen_Bond_Acceptor_Count	3
91195	TPSA	17.1
7059472	Defined_Atom_Stereo_Count	3
136051299	TPSA	149
69333672	Molecular_Weight	108.10
681133	Non-hydrogen_Atom_Count	22
5536	Hydrogen_Bond_Acceptor_Count	6
115205	Covalent_Unit_Count	1
60196376	Hydrogen_Bond_Donor_Count	1
73759759	Molecular_Weight	909.1
126992483	Covalent_Unit_Count	1
521300	Non-hydrogen_Atom_Count	6
25104740	Defined_Bond_Stereo_Count	0
16051942	Non-hydrogen_Atom_Count	27
2539	Covalent_Unit_Count	1
80528	Defined_Bond_Stereo_Count	0
23703990	Undefined_Bond_Stereo_Count	0
53903157	Isotope_Atom_Count	0
33068	Isotope_Atom_Count	0
7560	Molecular_Weight	164.20
16665	Mono_Isotopic_Weight	128.156500638
570	Undefined_Bond_Stereo_Count	2
60183	Total_Formal_Charge	0
138190	TPSA	20.2
5799	Molecular_Weight	204.23
107766	Total_Formal_Charge	0
90471707	Rotatable_Bond_Count	6
4390	Defined_Atom_Stereo_Count	0
6097043	Defined_Bond_Stereo_Count	0
6918188	Rotatable_Bond_Count	9
154516221	Hydrogen_Bond_Acceptor_Count	0
20746480	Isotope_Atom_Count	0
91604	Mono_Isotopic_Weight	210.161979940
60924	Undefined_Atom_Stereo_Count	0
11405875	Exact_Mass	364.0978555
59296041	Undefined_Atom_Stereo_Count	0
17693	Undefined_Atom_Stereo_Count	0
20669981	Hydrogen_Bond_Donor_Count	0
10157484	Hydrogen_Bond_Acceptor_Count	3
15074	Non-hydrogen_Atom_Count	9
19348604	Covalent_Unit_Count	1
20219	Isotope_Atom_Count	0
44211	Defined_Atom_Stereo_Count	0
20811	Hydrogen_Bond_Acceptor_Count	2
48920	Exact_Mass	283.157228913
20831824	Hydrogen_Bond_Acceptor_Count	10
139054114	Total_Formal_Charge	0
57955	Non-hydrogen_Atom_Count	25
143670559	Undefined_Atom_Stereo_Count	2
6441264	Structure_Complexity	1870
52949543	Total_Formal_Charge	0
138891	Undefined_Atom_Stereo_Count	1
11187581	Hydrogen_Bond_Donor_Count	3
10290773	Hydrogen_Bond_Donor_Count	2
13619723	TPSA	12
8881	Rotatable_Bond_Count	2
6574	Exact_Mass	131.930033
398740	Defined_Bond_Stereo_Count	0
8437	Non-hydrogen_Atom_Count	23
23082568	Defined_Atom_Stereo_Count	0
6918446	Undefined_Bond_Stereo_Count	0
9865233	Isotope_Atom_Count	0
7233	Hydrogen_Bond_Donor_Count	1
60196377	Hydrogen_Bond_Acceptor_Count	2
22481615	Undefined_Atom_Stereo_Count	2
118437609	Mono_Isotopic_Weight	115.063328530
42623223	Total_Formal_Charge	0
2723698	Defined_Bond_Stereo_Count	0
11953895	Structure_Complexity	119
6433520	Molecular_Weight	289.33
221523	Mono_Isotopic_Weight	84.057514874
6999977	XLogP3-AA	1.1
66683197	Hydrogen_Bond_Donor_Count	1
13050832	Undefined_Bond_Stereo_Count	0
118578546	Molecular_Weight	100.16
146159249	XLogP3-AA	4.1
16051969	Non-hydrogen_Atom_Count	78
60165516	Non-hydrogen_Atom_Count	20
13180180	Undefined_Atom_Stereo_Count	0
89664	Defined_Bond_Stereo_Count	0
579338	Molecular_Weight	123.15
550719	Hydrogen_Bond_Acceptor_Count	3
81767	Defined_Atom_Stereo_Count	0
649852	Rotatable_Bond_Count	6
4427	Isotope_Atom_Count	0
21702831	Hydrogen_Bond_Acceptor_Count	1
31013	Exact_Mass	225.13649347
7285	Hydrogen_Bond_Donor_Count	0
10246418	Rotatable_Bond_Count	4
6400271	Structure_Complexity	228
85325038	Hydrogen_Bond_Donor_Count	2
9991	Isotope_Atom_Count	0
30387	Undefined_Bond_Stereo_Count	0
71359064	XLogP3-AA	1.1
67678949	Exact_Mass	114.068079557
26009888	Mono_Isotopic_Weight	113.058911855
142464198	Molecular_Weight	112.17
9793992	TPSA	104
78422653	Hydrogen_Bond_Acceptor_Count	3
104149	Tautomer_Count	1
70693263	Undefined_Atom_Stereo_Count	0
12932	Non-hydrogen_Atom_Count	23
11388294	TPSA	26.3
493662	Molecular_Weight	1139.3
22420437	Molecular_Weight	83.13
138950	Covalent_Unit_Count	1
16129620	Exact_Mass	3356.8220541
71777706	Undefined_Atom_Stereo_Count	0
13551761	Total_Formal_Charge	0
57522038	Non-hydrogen_Atom_Count	27
15122078	Molecular_Weight	262.07
241027	Structure_Complexity	130
185698	TPSA	110
160743752	Defined_Bond_Stereo_Count	0
57784275	Total_Formal_Charge	0
57399651	Hydrogen_Bond_Acceptor_Count	6
78255	Rotatable_Bond_Count	18
75821	Isotope_Atom_Count	0
57448758	Isotope_Atom_Count	0
117065485	Defined_Atom_Stereo_Count	4
7525	Mono_Isotopic_Weight	115.099714038
12235162	Undefined_Atom_Stereo_Count	0
11953808	Total_Formal_Charge	0
96400	XLogP3-AA	2.1
9951059	Rotatable_Bond_Count	5
119606	Defined_Atom_Stereo_Count	0
299801	XLogP3-AA	0.5
7499	Defined_Atom_Stereo_Count	0
2723721	Undefined_Bond_Stereo_Count	0
9233	Undefined_Atom_Stereo_Count	0
5282184	Hydrogen_Bond_Donor_Count	0
184934	Non-hydrogen_Atom_Count	34
11799	Defined_Bond_Stereo_Count	0
135398687	Covalent_Unit_Count	1
76538	Hydrogen_Bond_Donor_Count	0
23667626	Covalent_Unit_Count	7
519642	Covalent_Unit_Count	1
125461340	TPSA	231
621174	Covalent_Unit_Count	1
30177	Total_Formal_Charge	0
358641	Defined_Bond_Stereo_Count	0
5324169	Covalent_Unit_Count	1
68052608	Rotatable_Bond_Count	0
4650	Structure_Complexity	149
15561101	Isotope_Atom_Count	0
154986845	Exact_Mass	112.063662883
25849	Hydrogen_Bond_Acceptor_Count	2
11423561	Rotatable_Bond_Count	0
6378	Undefined_Atom_Stereo_Count	1
54459	TPSA	42.8
66494	Molecular_Weight	320.3
135860757	Molecular_Weight	389.9
40807	Mono_Isotopic_Weight	428.04604121
71456725	Total_Formal_Charge	0
725	Tautomer_Count	1
446715	Defined_Bond_Stereo_Count	0
59473233	XLogP3-AA	3.6
2734180	Defined_Bond_Stereo_Count	0
6017	Rotatable_Bond_Count	2
58478000	Defined_Atom_Stereo_Count	0
650201	XLogP3-AA	3.1
11245456	Hydrogen_Bond_Donor_Count	1
192275	Defined_Bond_Stereo_Count	0
1089	Total_Formal_Charge	0
4215	Rotatable_Bond_Count	23
122706529	Defined_Bond_Stereo_Count	0
166033	Tautomer_Count	1
89976630	XLogP3-AA	1
134694392	Defined_Atom_Stereo_Count	4
458186	TPSA	57.5
57398258	Defined_Bond_Stereo_Count	0
14338	Mono_Isotopic_Weight	184.100048391
53364498	Rotatable_Bond_Count	4
13860942	Hydrogen_Bond_Acceptor_Count	3
79302	Covalent_Unit_Count	1
644078	Mono_Isotopic_Weight	568.50667527
23158380	Exact_Mass	116.083729621
18612333	Hydrogen_Bond_Acceptor_Count	0
117717939	Rotatable_Bond_Count	4
34885	Rotatable_Bond_Count	4
60150185	Undefined_Bond_Stereo_Count	0
92043179	Covalent_Unit_Count	2
57404185	Covalent_Unit_Count	2
69341863	Structure_Complexity	76.8
141836779	Mono_Isotopic_Weight	112.088815002
41505	Structure_Complexity	314
18999713	Mono_Isotopic_Weight	114.104465066
176448	Mono_Isotopic_Weight	148.052429494
414	Tautomer_Count	4
17572160	Undefined_Atom_Stereo_Count	0
12885790	TPSA	37.4
14236864	Defined_Bond_Stereo_Count	0
23039782	Covalent_Unit_Count	1
32339	Defined_Bond_Stereo_Count	0
54272739	Mono_Isotopic_Weight	86.084398327
14678666	XLogP3-AA	0
160523	Covalent_Unit_Count	3
22016574	Non-hydrogen_Atom_Count	7
21804	Isotope_Atom_Count	0
12647544	Hydrogen_Bond_Acceptor_Count	2
6501	Undefined_Atom_Stereo_Count	2
22630	Defined_Bond_Stereo_Count	0
11585872	Hydrogen_Bond_Acceptor_Count	2
160312	Covalent_Unit_Count	1
123744867	Rotatable_Bond_Count	3
95162416	Total_Formal_Charge	0
5284533	Total_Formal_Charge	0
135589116	Undefined_Atom_Stereo_Count	0
76223467	Covalent_Unit_Count	1
1064	Hydrogen_Bond_Acceptor_Count	6
83669980	Structure_Complexity	92.5
19082215	TPSA	128
138961	Exact_Mass	97.052763847
519726	Hydrogen_Bond_Acceptor_Count	2
244	Structure_Complexity	55.4
40781	Non-hydrogen_Atom_Count	18
4555	Rotatable_Bond_Count	5
633366	Non-hydrogen_Atom_Count	20
22166430	Undefined_Atom_Stereo_Count	0
13702293	XLogP3-AA	0.2
6436730	Molecular_Weight	871.0
44592366	Structure_Complexity	404
16473	Isotope_Atom_Count	0
202792	Defined_Atom_Stereo_Count	0
20797	XLogP3-AA	3.9
5363095	TPSA	26.3
134694678	Isotope_Atom_Count	0
70694228	Rotatable_Bond_Count	9
73277	Exact_Mass	113.9984758
440266	Mono_Isotopic_Weight	153.078978594
2898877	Rotatable_Bond_Count	4
2014	Exact_Mass	288.0777887
12546498	Defined_Atom_Stereo_Count	2
18323753	Hydrogen_Bond_Donor_Count	0
11635721	Total_Formal_Charge	0
16106473	Isotope_Atom_Count	0
137331882	Hydrogen_Bond_Donor_Count	1
39593	Total_Formal_Charge	0
19089601	TPSA	69.1
20680013	TPSA	9.2
97697	TPSA	29
92333	Undefined_Bond_Stereo_Count	0
5289085	Total_Formal_Charge	0
118917438	Non-hydrogen_Atom_Count	8
6112	Undefined_Bond_Stereo_Count	0
7672	Mono_Isotopic_Weight	119.037113783
62274	Defined_Bond_Stereo_Count	0
2370	Molecular_Weight	161.22
108144	Hydrogen_Bond_Donor_Count	2
44176380	Covalent_Unit_Count	3
101077	Tautomer_Count	1
10972	Undefined_Bond_Stereo_Count	0
96227	Non-hydrogen_Atom_Count	16
182176	Tautomer_Count	3
11595431	Total_Formal_Charge	0
104818	Total_Formal_Charge	0
82337	TPSA	18.5
70754	Rotatable_Bond_Count	0
3641960	Exact_Mass	226.9783716
77890	Isotope_Atom_Count	0
2737793	Undefined_Bond_Stereo_Count	0
54102072	Molecular_Weight	106.13
289847	Exact_Mass	160.074896272
76263	Rotatable_Bond_Count	4
68023775	Hydrogen_Bond_Acceptor_Count	1
12695899	Mono_Isotopic_Weight	110.073164938
17898580	Molecular_Weight	100.16
163714395	Defined_Bond_Stereo_Count	0
10351660	Exact_Mass	104.047344113
161830	Rotatable_Bond_Count	1
11386	Covalent_Unit_Count	1
7707	Covalent_Unit_Count	1
75921	Non-hydrogen_Atom_Count	16
57312199	Undefined_Bond_Stereo_Count	0
15330921	Hydrogen_Bond_Donor_Count	1
76038	Isotope_Atom_Count	0
15522	Rotatable_Bond_Count	2
12011	Structure_Complexity	235
894468	Rotatable_Bond_Count	4
61136	Hydrogen_Bond_Donor_Count	2
42609805	Hydrogen_Bond_Acceptor_Count	14
25082538	Isotope_Atom_Count	0
16719	Total_Formal_Charge	0
347402	Isotope_Atom_Count	0
44183	XLogP3-AA	3.4
24867851	Hydrogen_Bond_Donor_Count	1
12724397	Structure_Complexity	107
24825262	Hydrogen_Bond_Donor_Count	1
31233	Exact_Mass	166.099379685
24906321	Non-hydrogen_Atom_Count	29
641768	Defined_Bond_Stereo_Count	0
87457638	Defined_Atom_Stereo_Count	0
66383	Covalent_Unit_Count	2
456214	Covalent_Unit_Count	1
59792626	Undefined_Bond_Stereo_Count	0
108037	Rotatable_Bond_Count	5
3086637	Exact_Mass	482.12129689
3711	Hydrogen_Bond_Acceptor_Count	5
9961	Tautomer_Count	1
57545	Total_Formal_Charge	0
678081	Structure_Complexity	365
51030056	Non-hydrogen_Atom_Count	30
65823	TPSA	23.5
2724290	Defined_Bond_Stereo_Count	0
61868	Mono_Isotopic_Weight	118.099379685
225688	Defined_Bond_Stereo_Count	0
5458769	XLogP3-AA	4
5311110	Covalent_Unit_Count	1
139590844	Defined_Bond_Stereo_Count	0
124246	Total_Formal_Charge	0
76583	Isotope_Atom_Count	0
20498	Defined_Atom_Stereo_Count	0
66769579	Exact_Mass	97.052763847
9855454	Undefined_Atom_Stereo_Count	1
18980923	Isotope_Atom_Count	0
76830	Molecular_Weight	257.09
40146	Exact_Mass	240.126263138
4963	TPSA	143
11269429	Isotope_Atom_Count	0
439791	Hydrogen_Bond_Acceptor_Count	2
148202	Total_Formal_Charge	0
71362	Undefined_Bond_Stereo_Count	0
7213679	Isotope_Atom_Count	0
12428066	Hydrogen_Bond_Acceptor_Count	2
2724118	Molecular_Weight	282.1
5380976	Rotatable_Bond_Count	1
10784	Defined_Atom_Stereo_Count	0
34794	Defined_Atom_Stereo_Count	1
74616	Covalent_Unit_Count	1
23521592	Total_Formal_Charge	0
21453	Defined_Atom_Stereo_Count	0
9447938	XLogP3	3.3
3095	Undefined_Bond_Stereo_Count	0
7764	Covalent_Unit_Count	1
61917	Total_Formal_Charge	0
78422631	Defined_Atom_Stereo_Count	0
156588466	Non-hydrogen_Atom_Count	44
44563066	TPSA	84.7
13311642	Mono_Isotopic_Weight	102.068079557
73895	Hydrogen_Bond_Acceptor_Count	3
3456	Defined_Atom_Stereo_Count	0
117569443	Total_Formal_Charge	0
23664361	Hydrogen_Bond_Donor_Count	3
23488	TPSA	26
10868	Total_Formal_Charge	0
5284342	Defined_Bond_Stereo_Count	0
967126	Undefined_Atom_Stereo_Count	0
5311167	Defined_Bond_Stereo_Count	0
61105	Non-hydrogen_Atom_Count	7
3086637	Tautomer_Count	117
7802604	Defined_Atom_Stereo_Count	0
87110	Mono_Isotopic_Weight	151.0188769
6438130	TPSA	55.1
12285877	Non-hydrogen_Atom_Count	12
85515	Mono_Isotopic_Weight	108.043596145
34303	Exact_Mass	234.198365449
54496446	Defined_Atom_Stereo_Count	0
647120	Defined_Atom_Stereo_Count	0
793	Defined_Bond_Stereo_Count	0
15204529	Hydrogen_Bond_Acceptor_Count	1
96264	Exact_Mass	168.05349212
73253	Defined_Bond_Stereo_Count	0
96420	Hydrogen_Bond_Donor_Count	1
2073	Structure_Complexity	570
720471	Molecular_Weight	142.18
11651149	Structure_Complexity	45.6
246219	Defined_Bond_Stereo_Count	0
6134	Isotope_Atom_Count	0
265810	Hydrogen_Bond_Donor_Count	2
5380976	Undefined_Bond_Stereo_Count	0
47547	TPSA	62.7
15565266	Exact_Mass	111.043261792
29249	Isotope_Atom_Count	0
27655	Molecular_Weight	152.53
53856717	Molecular_Weight	99.13
50294	Hydrogen_Bond_Donor_Count	2
1474853	Undefined_Bond_Stereo_Count	0
16133899	Hydrogen_Bond_Acceptor_Count	152
77442653	Defined_Atom_Stereo_Count	0
10473088	Undefined_Atom_Stereo_Count	0
101304	XLogP3	1.2
517232	Non-hydrogen_Atom_Count	5
129847429	Molecular_Weight	360.38
8561	Isotope_Atom_Count	0
66687596	Undefined_Atom_Stereo_Count	0
49831411	Isotope_Atom_Count	0
366248	Mono_Isotopic_Weight	872.66826128
73945	Undefined_Bond_Stereo_Count	0
132095682	Hydrogen_Bond_Acceptor_Count	3
73285	Defined_Atom_Stereo_Count	4
213039	Exact_Mass	547.23522170
1343	Covalent_Unit_Count	1
74441087	Undefined_Atom_Stereo_Count	1
25023853	Defined_Bond_Stereo_Count	0
123664524	Total_Formal_Charge	0
44567678	Covalent_Unit_Count	1
11972518	Exact_Mass	1110.57633051
69020	Covalent_Unit_Count	1
11957463	Structure_Complexity	576
164330	Covalent_Unit_Count	9
12268623	Covalent_Unit_Count	1
23555879	Defined_Atom_Stereo_Count	0
105101	Molecular_Weight	308.0
6538996	Defined_Bond_Stereo_Count	0
100930731	Total_Formal_Charge	0
86585	Isotope_Atom_Count	0
8494	XLogP3	1.4
61124	Defined_Bond_Stereo_Count	0
64560	Molecular_Weight	290.5
5536	Isotope_Atom_Count	0
7363	Isotope_Atom_Count	0
76783	Mono_Isotopic_Weight	626.53078201
672296	Isotope_Atom_Count	0
4411	Defined_Bond_Stereo_Count	0
6183479	Covalent_Unit_Count	1
11815841	Defined_Bond_Stereo_Count	0
21545139	Rotatable_Bond_Count	0
435111	Defined_Atom_Stereo_Count	0
25015556	Total_Formal_Charge	0
90643	Structure_Complexity	372
3086400	Rotatable_Bond_Count	7
23653584	Isotope_Atom_Count	0
3559	Rotatable_Bond_Count	6
862	Exact_Mass	1404.85396239
520277	TPSA	9.2
87870846	Defined_Bond_Stereo_Count	0
13244249	Isotope_Atom_Count	0
123468130	Defined_Atom_Stereo_Count	0
18414852	Undefined_Atom_Stereo_Count	0
50894	XLogP3	0.9
23378923	Exact_Mass	112.088815002
90125683	Total_Formal_Charge	0
98651	Mono_Isotopic_Weight	413.04128673
133084	Hydrogen_Bond_Acceptor_Count	5
85805628	Isotope_Atom_Count	0
21026729	Exact_Mass	88.100048391
16969	Non-hydrogen_Atom_Count	9
131750204	Non-hydrogen_Atom_Count	39
6950274	Tautomer_Count	1
162236685	Mono_Isotopic_Weight	13.06234
57784	Tautomer_Count	3
98207156	Undefined_Atom_Stereo_Count	0
73664614	Rotatable_Bond_Count	0
547064	Defined_Bond_Stereo_Count	0
65802	XLogP3-AA	1
6745	Molecular_Weight	414.7
123415454	Structure_Complexity	86.2
101731271	TPSA	3
69640	Undefined_Bond_Stereo_Count	0
65328	Defined_Bond_Stereo_Count	0
5492898	Total_Formal_Charge	0
517273	Isotope_Atom_Count	0
6810	TPSA	43.4
7594067	Mono_Isotopic_Weight	343.10243389
5352693	Mono_Isotopic_Weight	180.01011390
521226	Isotope_Atom_Count	0
11789135	Defined_Bond_Stereo_Count	0
546996	Tautomer_Count	1
160534	Structure_Complexity	86.9
87595695	Exact_Mass	100.100048391
86266	Total_Formal_Charge	0
4906599	Undefined_Bond_Stereo_Count	0
57185798	Exact_Mass	112.052429494
5326566	Defined_Bond_Stereo_Count	0
107977	Covalent_Unit_Count	1
7551	Tautomer_Count	2
71158	Defined_Atom_Stereo_Count	0
27993	Hydrogen_Bond_Acceptor_Count	5
16638	Total_Formal_Charge	0
140291701	TPSA	63.3
638051	Covalent_Unit_Count	1
9491	Total_Formal_Charge	0
23675341	Molecular_Weight	477.5
57391320	Exact_Mass	422.17427596
94987	Tautomer_Count	1
40898	Non-hydrogen_Atom_Count	8
6456	Molecular_Weight	278.8
5284627	Structure_Complexity	556
80507	Mono_Isotopic_Weight	104.047344113
21958071	Total_Formal_Charge	0
7177	Rotatable_Bond_Count	8
4044	TPSA	49.3
15886	TPSA	125
12441598	Mono_Isotopic_Weight	116.083729621
80779	Non-hydrogen_Atom_Count	13
197883	Tautomer_Count	1
13198341	Exact_Mass	120.078644241
44246529	Hydrogen_Bond_Donor_Count	2
31202	Exact_Mass	395.3318782
13582607	Defined_Atom_Stereo_Count	0
56928080	Non-hydrogen_Atom_Count	39
7842	Mono_Isotopic_Weight	117.94181
57404290	Undefined_Atom_Stereo_Count	1
139307343	Hydrogen_Bond_Acceptor_Count	3
76355	Exact_Mass	114.068079557
94020	Non-hydrogen_Atom_Count	22
223464	Defined_Bond_Stereo_Count	0
443958	Molecular_Weight	502.6
122173791	TPSA	67.2
634423	Structure_Complexity	835
71793	Undefined_Bond_Stereo_Count	0
16682930	Hydrogen_Bond_Acceptor_Count	0
129849349	Molecular_Weight	205.28
21954793	Defined_Bond_Stereo_Count	0
136649153	Non-hydrogen_Atom_Count	15
541087	Undefined_Atom_Stereo_Count	3
249414	Covalent_Unit_Count	1
3779	Hydrogen_Bond_Acceptor_Count	4
50317	Rotatable_Bond_Count	2
24865624	Covalent_Unit_Count	1
6321253	Hydrogen_Bond_Acceptor_Count	2
123803633	Total_Formal_Charge	0
5497171	TPSA	151
41574	Hydrogen_Bond_Acceptor_Count	5
54695720	Defined_Atom_Stereo_Count	4
1437838	TPSA	37.4
70544	TPSA	15.3
4558	Undefined_Bond_Stereo_Count	1
23662274	Undefined_Atom_Stereo_Count	0
70333	Undefined_Atom_Stereo_Count	0
11748	XLogP3-AA	0
58647035	Covalent_Unit_Count	1
11416654	Defined_Atom_Stereo_Count	1
21057641	Hydrogen_Bond_Donor_Count	4
7895	Undefined_Bond_Stereo_Count	0
12702817	XLogP3-AA	1
23680530	Hydrogen_Bond_Donor_Count	2
3035842	Molecular_Weight	165.24
11702	Covalent_Unit_Count	1
60150535	Hydrogen_Bond_Donor_Count	2
23642275	Rotatable_Bond_Count	2
146159199	Defined_Atom_Stereo_Count	3
1080	Exact_Mass	179.02522894
163838	Tautomer_Count	3
54269666	Mono_Isotopic_Weight	85.089149355
9281	Exact_Mass	816.1726841
5459765	Rotatable_Bond_Count	0
44338989	XLogP3-AA	3.6
86063980	Hydrogen_Bond_Acceptor_Count	2
10285793	Molecular_Weight	128.09
22010122	Defined_Bond_Stereo_Count	0
656823	Defined_Bond_Stereo_Count	0
7201	Defined_Bond_Stereo_Count	0
119438	Covalent_Unit_Count	1
6918678	Undefined_Bond_Stereo_Count	0
28102	TPSA	38.8
32350	Molecular_Weight	731.7
32800	Mono_Isotopic_Weight	1142.35073945
23328892	Molecular_Weight	114.14
136060	Hydrogen_Bond_Acceptor_Count	0
77213	TPSA	105
20729526	Total_Formal_Charge	0
10510810	Structure_Complexity	66.3
89103941	Undefined_Bond_Stereo_Count	0
37612	TPSA	37
13639781	Molecular_Weight	107.11
85925	Hydrogen_Bond_Acceptor_Count	0
12231381	Defined_Atom_Stereo_Count	0
22225791	Isotope_Atom_Count	0
146158627	Mono_Isotopic_Weight	1406.74927579
3045407	Mono_Isotopic_Weight	578.26281617
16599	Molecular_Weight	458.0
493342	Total_Formal_Charge	0
5281104	TPSA	60.7
66053	Covalent_Unit_Count	1
20054948	Mono_Isotopic_Weight	569.29082182
461003	Hydrogen_Bond_Acceptor_Count	4
11667893	Mono_Isotopic_Weight	373.19026037
1981	Exact_Mass	415.0822650
5284553	Hydrogen_Bond_Acceptor_Count	12
92196	Undefined_Bond_Stereo_Count	0
185698	Hydrogen_Bond_Donor_Count	5
19283	Undefined_Bond_Stereo_Count	0
634876	Covalent_Unit_Count	1
126083	Mono_Isotopic_Weight	314.16641387
543207	Total_Formal_Charge	0
5921	Rotatable_Bond_Count	2
19829703	Isotope_Atom_Count	0
42608371	Mono_Isotopic_Weight	287.24604391
90487871	Molecular_Weight	111.14
13867125	Molecular_Weight	288.4
36906	XLogP3	1
11862	Covalent_Unit_Count	1
145740525	Hydrogen_Bond_Acceptor_Count	2
2723719	Exact_Mass	665.30474055
9883915	Hydrogen_Bond_Acceptor_Count	2
4611851	Undefined_Atom_Stereo_Count	1
3081387	Undefined_Atom_Stereo_Count	0
158882	XLogP3-AA	6.1
24608	Undefined_Bond_Stereo_Count	0
5351154	Mono_Isotopic_Weight	184.11849242
12309466	Hydrogen_Bond_Donor_Count	0
33013	Covalent_Unit_Count	2
19001504	Undefined_Atom_Stereo_Count	0
48432	Undefined_Atom_Stereo_Count	0
11602	Mono_Isotopic_Weight	82.078250319
10021783	Isotope_Atom_Count	0
19083150	TPSA	17.8
2866	Mono_Isotopic_Weight	354.19434270
72199432	TPSA	133
610169	Molecular_Weight	206.47
133562785	Rotatable_Bond_Count	19
67885	Mono_Isotopic_Weight	208.99114725
44267026	Structure_Complexity	177
5312108	Defined_Bond_Stereo_Count	0
56841653	Hydrogen_Bond_Donor_Count	5
17178037	XLogP3-AA	0.1
86510	Covalent_Unit_Count	1
705	Structure_Complexity	1520
16727404	Rotatable_Bond_Count	4
601898	Non-hydrogen_Atom_Count	18
66254	Exact_Mass	192.0015015
76	Structure_Complexity	508
9548720	Covalent_Unit_Count	1
4284720	Non-hydrogen_Atom_Count	20
3544	Hydrogen_Bond_Acceptor_Count	5
517827	TPSA	17.1
21464101	Molecular_Weight	99.13
60196397	Mono_Isotopic_Weight	724.59570474
3681	Isotope_Atom_Count	0
542381	Hydrogen_Bond_Donor_Count	1
8159	Exact_Mass	158.130679813
35876	Rotatable_Bond_Count	2
22506613	Defined_Bond_Stereo_Count	0
53763878	Undefined_Atom_Stereo_Count	0
17754178	Molecular_Weight	160.28
704528	Defined_Atom_Stereo_Count	1
4206	Exact_Mass	368.25627424
99451	Undefined_Atom_Stereo_Count	0
439217	Rotatable_Bond_Count	3
148013616	Hydrogen_Bond_Donor_Count	2
19386566	Isotope_Atom_Count	0
282752	Structure_Complexity	267
47	Hydrogen_Bond_Acceptor_Count	3
4634922	Mono_Isotopic_Weight	241.086469272
38207	Tautomer_Count	1
9576002	Hydrogen_Bond_Donor_Count	7
11023	Structure_Complexity	211
49766037	XLogP3-AA	1
3388301	Isotope_Atom_Count	0
16048613	Undefined_Bond_Stereo_Count	0
101250074	Undefined_Bond_Stereo_Count	0
20969	Hydrogen_Bond_Acceptor_Count	5
54258707	Rotatable_Bond_Count	2
25243853	Molecular_Weight	436.5
8480	Mono_Isotopic_Weight	259.977826
21783	Exact_Mass	237.10010796
20280	Rotatable_Bond_Count	15
10205	Rotatable_Bond_Count	0
10881	Mono_Isotopic_Weight	106.041864811
5723	XLogP3-AA	2.2
140442165	Exact_Mass	1201.84136802
21679450	Molecular_Weight	107.11
21356643	XLogP3-AA	0.4
22796701	Isotope_Atom_Count	0
36246	Isotope_Atom_Count	0
2815	Non-hydrogen_Atom_Count	20
201	Exact_Mass	654.38142824
88294	Structure_Complexity	218
53818193	Covalent_Unit_Count	1
58390642	Non-hydrogen_Atom_Count	8
13462200	TPSA	20.2
20662793	XLogP3-AA	1.1
10335364	Isotope_Atom_Count	0
12200728	Defined_Bond_Stereo_Count	0
132998	Rotatable_Bond_Count	6
124201618	Mono_Isotopic_Weight	690.32985036
6435401	Hydrogen_Bond_Acceptor_Count	8
76883	Undefined_Bond_Stereo_Count	0
14025	Mono_Isotopic_Weight	280.13421502
129860157	Total_Formal_Charge	0
102891	Hydrogen_Bond_Acceptor_Count	7
129673373	Covalent_Unit_Count	1
3068143	Defined_Atom_Stereo_Count	4
59856471	Hydrogen_Bond_Acceptor_Count	9
129786694	Exact_Mass	99.032028402
3960	Undefined_Atom_Stereo_Count	1
2786	Hydrogen_Bond_Donor_Count	4
34829729	Structure_Complexity	659
6419965	Hydrogen_Bond_Donor_Count	4
17074527	Non-hydrogen_Atom_Count	8
968625	Exact_Mass	330.10381361
66261	Total_Formal_Charge	0
97868	Defined_Bond_Stereo_Count	0
8626	TPSA	329
9073	Rotatable_Bond_Count	5
9719	Non-hydrogen_Atom_Count	22
314787	Undefined_Atom_Stereo_Count	0
136203056	Isotope_Atom_Count	0
21874242	Hydrogen_Bond_Donor_Count	2
53316386	Non-hydrogen_Atom_Count	36
65429	Rotatable_Bond_Count	6
446871	Structure_Complexity	900
24843	Isotope_Atom_Count	0
65171	Exact_Mass	247.123523487
15276695	Mono_Isotopic_Weight	99.068413911
37924	Mono_Isotopic_Weight	251.9744848
4320774	Undefined_Bond_Stereo_Count	0
46912230	Total_Formal_Charge	0
12161	Molecular_Weight	118.18
84878	Undefined_Bond_Stereo_Count	0
24759094	Non-hydrogen_Atom_Count	32
118346510	Defined_Bond_Stereo_Count	0
65106	Undefined_Atom_Stereo_Count	0
80507	Non-hydrogen_Atom_Count	7
44339135	Exact_Mass	547.14224784
56678999	Isotope_Atom_Count	0
17780743	Mono_Isotopic_Weight	117.078978594
4793	Hydrogen_Bond_Acceptor_Count	6
62097	Structure_Complexity	192
71893	TPSA	37.4
53956489	XLogP3-AA	0.3
5236	Structure_Complexity	37.4
3037131	Defined_Atom_Stereo_Count	0
9980551	Rotatable_Bond_Count	4
198015	Defined_Bond_Stereo_Count	0
27489	Defined_Atom_Stereo_Count	0
8989	Undefined_Bond_Stereo_Count	0
82161	Non-hydrogen_Atom_Count	18
101587427	Defined_Atom_Stereo_Count	0
11869222	Molecular_Weight	401.5
124905	Defined_Bond_Stereo_Count	0
54573150	Mono_Isotopic_Weight	111.068413911
5497143	Defined_Bond_Stereo_Count	1
135503538	Hydrogen_Bond_Donor_Count	4
13348002	Rotatable_Bond_Count	0
229932	Rotatable_Bond_Count	1
57656869	Structure_Complexity	514
123704170	XLogP3-AA	2.3
60167543	Mono_Isotopic_Weight	500.18442974
8107	TPSA	29.5
6435463	Covalent_Unit_Count	1
817096	Covalent_Unit_Count	1
96457	Molecular_Weight	117.11
11741	Defined_Atom_Stereo_Count	0
10161305	Rotatable_Bond_Count	8
50993724	Defined_Bond_Stereo_Count	0
54687668	Undefined_Bond_Stereo_Count	0
10406	Undefined_Atom_Stereo_Count	1
13694931	Covalent_Unit_Count	1
135436533	Molecular_Weight	351.3
135440068	Molecular_Weight	267.24
52949466	Defined_Bond_Stereo_Count	0
16305	Structure_Complexity	162
56654130	Structure_Complexity	851
5284347	Exact_Mass	205.0658271
42602260	Mono_Isotopic_Weight	428.1727518
20326	Defined_Atom_Stereo_Count	0
5289517	Isotope_Atom_Count	0
20387242	Covalent_Unit_Count	1
15222	Total_Formal_Charge	0
12762443	Exact_Mass	111.079647300
10430040	Isotope_Atom_Count	0
5288606	Molecular_Weight	259.09
55804	Tautomer_Count	3
22033763	Hydrogen_Bond_Acceptor_Count	2
9997	Structure_Complexity	67.1
16097	Undefined_Bond_Stereo_Count	0
44962	Hydrogen_Bond_Acceptor_Count	3
10241280	Structure_Complexity	222
46204396	Defined_Atom_Stereo_Count	0
83556	Total_Formal_Charge	0
10017019	Undefined_Bond_Stereo_Count	0
15072	Molecular_Weight	125.17
681186	XLogP3-AA	4.4
60238	XLogP3-AA	1.1
56680189	Defined_Atom_Stereo_Count	0
7503	Total_Formal_Charge	0
61293	Non-hydrogen_Atom_Count	11
102210	Mono_Isotopic_Weight	316.20384475
53249784	Exact_Mass	205.11142153
55300295	TPSA	29.1
82337	XLogP3	3.6
33363	TPSA	21.6
6432095	Exact_Mass	31.981587030
25069561	Molecular_Weight	443.4
129671755	Isotope_Atom_Count	0
135546482	Undefined_Atom_Stereo_Count	0
6199	XLogP3-AA	2.3
18615953	Molecular_Weight	116.12
5195	Total_Formal_Charge	0
10954241	Isotope_Atom_Count	6
86367	Undefined_Bond_Stereo_Count	0
58750499	Hydrogen_Bond_Acceptor_Count	2
132228	Undefined_Bond_Stereo_Count	0
81831	Defined_Bond_Stereo_Count	0
142773668	Rotatable_Bond_Count	0
17799937	TPSA	24.4
10407120	Total_Formal_Charge	0
25588	Non-hydrogen_Atom_Count	15
7248	XLogP3	2.5
10975462	Mono_Isotopic_Weight	116.047344113
135413528	Hydrogen_Bond_Donor_Count	1
71359012	Exact_Mass	110.073164938
5281032	Structure_Complexity	548
66932	TPSA	52.6
68115	TPSA	59.9
5639	Defined_Atom_Stereo_Count	0
16155603	Structure_Complexity	4430
638793	Exact_Mass	1181.57302551
7950	Hydrogen_Bond_Acceptor_Count	0
28204	Non-hydrogen_Atom_Count	23
8194	Hydrogen_Bond_Acceptor_Count	1
10290812	Covalent_Unit_Count	1
11719190	Structure_Complexity	616
801066	XLogP3-AA	3.6
135423095	Covalent_Unit_Count	2
228490	TPSA	58.9
188914	Exact_Mass	274.1003540
526950	Defined_Atom_Stereo_Count	0
134070	XLogP3-AA	5.1
7284	Total_Formal_Charge	0
637978	Covalent_Unit_Count	1
65637	Undefined_Atom_Stereo_Count	0
18369938	Total_Formal_Charge	0
15584178	Undefined_Bond_Stereo_Count	0
15278	Mono_Isotopic_Weight	164.083729621
19734140	Covalent_Unit_Count	1
54228006	Undefined_Atom_Stereo_Count	0
14171936	Rotatable_Bond_Count	2
87478594	Non-hydrogen_Atom_Count	8
24568	Hydrogen_Bond_Acceptor_Count	20
56928061	Defined_Bond_Stereo_Count	0
23565353	Non-hydrogen_Atom_Count	8
134129158	Total_Formal_Charge	0
77971	Covalent_Unit_Count	1
5723	Undefined_Atom_Stereo_Count	0
922	Defined_Bond_Stereo_Count	0
9920327	Undefined_Bond_Stereo_Count	0
7005	Exact_Mass	144.057514874
5287969	Total_Formal_Charge	0
3018793	Defined_Bond_Stereo_Count	0
161561	Molecular_Weight	430.9
8266	Molecular_Weight	388.8
15411	Non-hydrogen_Atom_Count	8
16212360	Total_Formal_Charge	0
5983	Hydrogen_Bond_Donor_Count	1
6918546	Defined_Atom_Stereo_Count	0
10942338	Exact_Mass	86.036779430
53914733	Covalent_Unit_Count	1
5289320	Mono_Isotopic_Weight	387.17289623
38878	Undefined_Bond_Stereo_Count	0
70220	XLogP3-AA	1.8
36798	XLogP3	1.3
61370	Undefined_Bond_Stereo_Count	1
9865515	XLogP3-AA	2.8
92129	Defined_Bond_Stereo_Count	0
21786118	Defined_Bond_Stereo_Count	0
66036969	Molecular_Weight	112.13
8635	Exact_Mass	151.063328530
5357402	Isotope_Atom_Count	0
5352135	Covalent_Unit_Count	1
21661222	Molecular_Weight	117.10
10407120	Non-hydrogen_Atom_Count	28
5360696	Defined_Bond_Stereo_Count	0
23681141	Defined_Bond_Stereo_Count	0
123611214	Covalent_Unit_Count	1
101375997	Hydrogen_Bond_Donor_Count	13
443605	Undefined_Atom_Stereo_Count	2
13853	Molecular_Weight	86.13
141082	Mono_Isotopic_Weight	98.073164938
5468154	Undefined_Atom_Stereo_Count	0
81540	Total_Formal_Charge	0
59022304	Isotope_Atom_Count	0
23496510	Covalent_Unit_Count	1
134925337	Total_Formal_Charge	0
123470675	XLogP3-AA	3.1
54675758	Hydrogen_Bond_Acceptor_Count	8
5231	Non-hydrogen_Atom_Count	14
12507028	Undefined_Bond_Stereo_Count	0
19077501	Molecular_Weight	390.8
91429	Rotatable_Bond_Count	4
137685	Hydrogen_Bond_Donor_Count	0
90878759	Defined_Bond_Stereo_Count	0
5288223	Undefined_Bond_Stereo_Count	0
73802	Undefined_Bond_Stereo_Count	0
72137	Covalent_Unit_Count	1
17963227	Undefined_Bond_Stereo_Count	0
55288485	Defined_Bond_Stereo_Count	0
57560	Defined_Atom_Stereo_Count	0
16312	Isotope_Atom_Count	0
61973	Undefined_Atom_Stereo_Count	1
5287969	Non-hydrogen_Atom_Count	28
94906	Exact_Mass	159.068413911
18343309	Hydrogen_Bond_Acceptor_Count	4
13415148	TPSA	61.4
984411	TPSA	113
11521070	Mono_Isotopic_Weight	99.068413911
135408964	Exact_Mass	452.2230560
73167270	Exact_Mass	113.084063974
7579	Total_Formal_Charge	0
102228006	Exact_Mass	290.130679813
3744	Mono_Isotopic_Weight	189.078978594
856	Defined_Bond_Stereo_Count	0
156460742	Mono_Isotopic_Weight	117.078978594
24978538	Defined_Bond_Stereo_Count	0
20705517	TPSA	3
11189	Undefined_Atom_Stereo_Count	0
446925	Exact_Mass	536.438201786
40818	Molecular_Weight	152.06
206044	Rotatable_Bond_Count	12
4683	Defined_Atom_Stereo_Count	0
439517	Mono_Isotopic_Weight	267.12190603
208901	Defined_Bond_Stereo_Count	0
166606713	Defined_Atom_Stereo_Count	5
136316	Exact_Mass	110.109550447
30664	Structure_Complexity	36.9
165609608	Rotatable_Bond_Count	2
468	Exact_Mass	586.31882799
68469	XLogP3	2.5
6918653	Undefined_Bond_Stereo_Count	0
23376967	Hydrogen_Bond_Donor_Count	4
5709759	Undefined_Bond_Stereo_Count	0
728672	Rotatable_Bond_Count	3
27430	Mono_Isotopic_Weight	359.1652068
5743568	TPSA	104
95400	Total_Formal_Charge	0
53436961	TPSA	0
517277	Molecular_Weight	151.990
21139920	Total_Formal_Charge	0
53630039	Molecular_Weight	90.08
686073	Undefined_Bond_Stereo_Count	0
192711	Non-hydrogen_Atom_Count	22
497266	Hydrogen_Bond_Acceptor_Count	10
10297818	XLogP3-AA	4.3
12210512	Hydrogen_Bond_Donor_Count	0
446067	Defined_Atom_Stereo_Count	0
1146	Structure_Complexity	8
71680844	XLogP3-AA	2.7
9926639	Mono_Isotopic_Weight	308.1291556
300166	Hydrogen_Bond_Donor_Count	0
135738852	Total_Formal_Charge	0
23282906	Undefined_Atom_Stereo_Count	2
18608	Molecular_Weight	208.26
71580822	Rotatable_Bond_Count	5
3016	Isotope_Atom_Count	0
59281403	Mono_Isotopic_Weight	417.13002593
5282203	Hydrogen_Bond_Donor_Count	1
16134408	Non-hydrogen_Atom_Count	140
5289534	Isotope_Atom_Count	0
11158353	Non-hydrogen_Atom_Count	26
6730	Undefined_Bond_Stereo_Count	0
24848413	Defined_Atom_Stereo_Count	0
119570	Non-hydrogen_Atom_Count	14
7663	Hydrogen_Bond_Donor_Count	0
14344952	Molecular_Weight	112.13
54793	Covalent_Unit_Count	1
73714	Molecular_Weight	82.14
19239	Covalent_Unit_Count	1
83960	Defined_Bond_Stereo_Count	0
101176453	Rotatable_Bond_Count	15
6022	Defined_Atom_Stereo_Count	4
2518	Rotatable_Bond_Count	2
22507733	Covalent_Unit_Count	1
6437065	Molecular_Weight	441.5
129539	Structure_Complexity	412
12602	Defined_Bond_Stereo_Count	0
2156	XLogP3	7.6
90352849	Non-hydrogen_Atom_Count	8
91612585	Non-hydrogen_Atom_Count	8
13531383	Tautomer_Count	1
447360	Non-hydrogen_Atom_Count	28
85573568	Isotope_Atom_Count	0
12302689	Defined_Bond_Stereo_Count	0
6368	Total_Formal_Charge	0
1030	Defined_Atom_Stereo_Count	0
12235161	Molecular_Weight	193.28
12264928	Structure_Complexity	68.3
701016	Non-hydrogen_Atom_Count	19
10351656	Hydrogen_Bond_Acceptor_Count	2
5282138	Non-hydrogen_Atom_Count	36
11658655	Rotatable_Bond_Count	1
21591456	Molecular_Weight	222.37
68604	Molecular_Weight	401.5
39976	Defined_Atom_Stereo_Count	0
53796209	Covalent_Unit_Count	1
72208264	Rotatable_Bond_Count	0
37271	XLogP3-AA	0.9
356101	Covalent_Unit_Count	1
21058	Defined_Bond_Stereo_Count	0
30999	Defined_Atom_Stereo_Count	0
637578	Rotatable_Bond_Count	3
57590	Total_Formal_Charge	0
71305034	Molecular_Weight	408.4
70263	Total_Formal_Charge	0
17377	Defined_Atom_Stereo_Count	0
5090	Defined_Bond_Stereo_Count	0
418745	Mono_Isotopic_Weight	134.059246208
26235	Non-hydrogen_Atom_Count	21
3054073	Rotatable_Bond_Count	0
1821	Defined_Bond_Stereo_Count	0
868	Mono_Isotopic_Weight	88.016043985
79003661	Undefined_Bond_Stereo_Count	0
56463	Covalent_Unit_Count	1
12674802	Hydrogen_Bond_Acceptor_Count	1
19165	Hydrogen_Bond_Donor_Count	0
16005120	Hydrogen_Bond_Donor_Count	1
55300028	Covalent_Unit_Count	1
49858374	Isotope_Atom_Count	0
87503479	Defined_Atom_Stereo_Count	0
83960	Rotatable_Bond_Count	8
20762359	XLogP3-AA	0.3
15208461	Covalent_Unit_Count	1
108424	Hydrogen_Bond_Donor_Count	1
29096	Structure_Complexity	116
71486	Tautomer_Count	1
13399	Isotope_Atom_Count	0
94153	Defined_Bond_Stereo_Count	0
3033860	Defined_Bond_Stereo_Count	1
10823890	Undefined_Bond_Stereo_Count	0
57401371	Structure_Complexity	762
11658655	Undefined_Bond_Stereo_Count	0
232532	TPSA	17.1
10574415	Isotope_Atom_Count	0
78576	Mono_Isotopic_Weight	189.126597491
89053239	Hydrogen_Bond_Donor_Count	0
22041940	Non-hydrogen_Atom_Count	7
1379	Total_Formal_Charge	0
9320	Exact_Mass	418.35758248
12956086	Undefined_Atom_Stereo_Count	0
105014	Rotatable_Bond_Count	9
53846427	Molecular_Weight	416.6
16029	Tautomer_Count	1
150994	Structure_Complexity	183
78557	Hydrogen_Bond_Donor_Count	0
24672	Exact_Mass	432.99260866
12303048	Isotope_Atom_Count	0
10772	Defined_Atom_Stereo_Count	0
36647	Hydrogen_Bond_Donor_Count	0
73952292	Exact_Mass	665.30474055
104276777	Molecular_Weight	110.15
6770	Exact_Mass	323.11575802
11966162	Hydrogen_Bond_Donor_Count	9
16217605	Defined_Bond_Stereo_Count	0
6919467	Undefined_Atom_Stereo_Count	0
362	Hydrogen_Bond_Donor_Count	2
6992028	Total_Formal_Charge	0
22836366	Covalent_Unit_Count	1
49865920	TPSA	55.6
50878566	Exact_Mass	306.15929460
67554835	Hydrogen_Bond_Donor_Count	1
14181658	Defined_Atom_Stereo_Count	4
15209693	Undefined_Atom_Stereo_Count	0
643833	Total_Formal_Charge	0
14491	Molecular_Weight	150.3
46304	Defined_Bond_Stereo_Count	0
12285886	Non-hydrogen_Atom_Count	12
3082555	Tautomer_Count	6
6922	Mono_Isotopic_Weight	161.04523368
60196360	Mono_Isotopic_Weight	844.38573014
8651	Molecular_Weight	210.23
16050834	Hydrogen_Bond_Donor_Count	1
13574952	TPSA	38.7
2724	Defined_Atom_Stereo_Count	0
107879	Hydrogen_Bond_Acceptor_Count	8
135566371	Hydrogen_Bond_Acceptor_Count	8
2386	Undefined_Atom_Stereo_Count	0
163722493	Defined_Atom_Stereo_Count	0
6432517	Structure_Complexity	500
66663	Rotatable_Bond_Count	8
10017963	Structure_Complexity	481
122214397	Undefined_Atom_Stereo_Count	0
8283	Defined_Atom_Stereo_Count	0
57394197	Undefined_Atom_Stereo_Count	0
141168949	Hydrogen_Bond_Donor_Count	0
25102	Hydrogen_Bond_Donor_Count	4
6919101	Exact_Mass	101.060254526
10143006	Exact_Mass	526.04954
57952	Molecular_Weight	380.4
8222	Structure_Complexity	132
5284468	Undefined_Bond_Stereo_Count	0
67711	Structure_Complexity	56.4
64644	TPSA	121
6419898	Molecular_Weight	843.1
17078	Mono_Isotopic_Weight	263.87854
235970	Mono_Isotopic_Weight	434.1496163
90895196	Isotope_Atom_Count	0
129744573	Undefined_Bond_Stereo_Count	0
57486971	Exact_Mass	109.089149355
60983	Molecular_Weight	128.17
21255899	Isotope_Atom_Count	0
6914605	Defined_Bond_Stereo_Count	0
23667546	Covalent_Unit_Count	2
65840	Isotope_Atom_Count	0
7888	Molecular_Weight	172.26
6429536	Rotatable_Bond_Count	2
130145407	Molecular_Weight	110.15
80660	TPSA	9.2
6693	Defined_Atom_Stereo_Count	0
36560	Defined_Atom_Stereo_Count	0
9927	Isotope_Atom_Count	0
49858248	Defined_Atom_Stereo_Count	0
1497	Structure_Complexity	552
129873282	Defined_Bond_Stereo_Count	0
12716156	Exact_Mass	104.062600255
5780	Hydrogen_Bond_Donor_Count	6
102402827	Defined_Atom_Stereo_Count	9
518516	XLogP3-AA	3.4
9840851	Hydrogen_Bond_Acceptor_Count	6
6479653	Defined_Bond_Stereo_Count	7
11062432	Total_Formal_Charge	0
88261	Mono_Isotopic_Weight	230.224580195
5288033	Hydrogen_Bond_Donor_Count	1
19427867	TPSA	38.3
87251056	Covalent_Unit_Count	1
131704225	Non-hydrogen_Atom_Count	13
44603531	Defined_Bond_Stereo_Count	0
46830489	XLogP3-AA	4.7
5452	Undefined_Bond_Stereo_Count	0
20433	TPSA	63.5
137264	Isotope_Atom_Count	0
9926586	Total_Formal_Charge	0
10518	Structure_Complexity	406
197712	Mono_Isotopic_Weight	378.15795719
3080719	Isotope_Atom_Count	0
5486699	Hydrogen_Bond_Donor_Count	10
133561861	Hydrogen_Bond_Acceptor_Count	3
85843728	TPSA	29.4
15322	Isotope_Atom_Count	0
925642	Mono_Isotopic_Weight	231.11201006
10087661	XLogP3-AA	6.1
6438149	Mono_Isotopic_Weight	368.21988874
117852135	Non-hydrogen_Atom_Count	28
543014	Defined_Atom_Stereo_Count	0
20811482	Exact_Mass	97.052763847
44560772	Defined_Atom_Stereo_Count	0
12741658	Exact_Mass	100.052429494
86287517	Defined_Bond_Stereo_Count	0
98423	Defined_Bond_Stereo_Count	0
14079	Mono_Isotopic_Weight	109.052763847
11281011	Defined_Bond_Stereo_Count	0
49750	TPSA	41.6
33254	Covalent_Unit_Count	3
192925	Hydrogen_Bond_Acceptor_Count	1
16950	Non-hydrogen_Atom_Count	20
56608900	TPSA	9.2
38286	Exact_Mass	327.1237359
5230726	Mono_Isotopic_Weight	264.175224706
154392753	Undefined_Atom_Stereo_Count	0
143321	Rotatable_Bond_Count	0
441374	Molecular_Weight	582.6
20442	Covalent_Unit_Count	1
135566069	Molecular_Weight	1569.7
135492976	Rotatable_Bond_Count	1
688137	Defined_Bond_Stereo_Count	0
74180	Hydrogen_Bond_Donor_Count	1
18719	Isotope_Atom_Count	0
3916406	Covalent_Unit_Count	1
5281075	XLogP3	2.9
6610296	Undefined_Bond_Stereo_Count	1
1040	Hydrogen_Bond_Acceptor_Count	8
10731	Non-hydrogen_Atom_Count	15
12346974	Molecular_Weight	110.15
73957	Non-hydrogen_Atom_Count	22
5288588	Mono_Isotopic_Weight	298.1236763
9548714	Covalent_Unit_Count	1
439236	Covalent_Unit_Count	1
7569	Exact_Mass	393.339550376
451189	Rotatable_Bond_Count	1
1964	TPSA	83.8
91942	Hydrogen_Bond_Donor_Count	2
57417608	Hydrogen_Bond_Acceptor_Count	1
12241083	Molecular_Weight	299.23
133662561	Undefined_Bond_Stereo_Count	0
5108383	Defined_Bond_Stereo_Count	0
12313817	Hydrogen_Bond_Donor_Count	0
6860	Hydrogen_Bond_Acceptor_Count	0
720	Defined_Bond_Stereo_Count	0
24181458	Undefined_Bond_Stereo_Count	0
700489	TPSA	74.9
2743	XLogP3	3.4
66934489	Undefined_Atom_Stereo_Count	2
429734	Undefined_Bond_Stereo_Count	0
64658	Covalent_Unit_Count	2
216247	Isotope_Atom_Count	0
131567	Undefined_Bond_Stereo_Count	0
54598522	Isotope_Atom_Count	0
91493	Rotatable_Bond_Count	7
20632752	Total_Formal_Charge	0
21087	Molecular_Weight	294.4
518966	Mono_Isotopic_Weight	80.062600255
14050	Isotope_Atom_Count	0
8509	Undefined_Atom_Stereo_Count	0
62305	Structure_Complexity	956
9837419	Defined_Bond_Stereo_Count	0
643497	Tautomer_Count	2
130124970	Structure_Complexity	110
45380694	Isotope_Atom_Count	0
5558	Molecular_Weight	252.73
5281976	Non-hydrogen_Atom_Count	15
161929	Hydrogen_Bond_Acceptor_Count	1
71455340	Undefined_Atom_Stereo_Count	1
5054	Defined_Bond_Stereo_Count	0
141343693	Undefined_Bond_Stereo_Count	0
30571	Covalent_Unit_Count	1
30097	Molecular_Weight	562.6
661938	Exact_Mass	424.17983545
12769202	Total_Formal_Charge	0
1662	Non-hydrogen_Atom_Count	11
62441	Covalent_Unit_Count	2
2778574	Total_Formal_Charge	0
5367412	Non-hydrogen_Atom_Count	11
5175	Covalent_Unit_Count	1
22	Exact_Mass	132.04225873
82143	Structure_Complexity	316
6934	XLogP3-AA	0.9
969152	Hydrogen_Bond_Donor_Count	1
84072504	Covalent_Unit_Count	1
193504	Hydrogen_Bond_Acceptor_Count	2
27145	Hydrogen_Bond_Donor_Count	1
24812	Hydrogen_Bond_Donor_Count	0
6917655	Tautomer_Count	1
112412	TPSA	50.9
44144429	TPSA	154
6947	Hydrogen_Bond_Acceptor_Count	3
7406	Undefined_Bond_Stereo_Count	0
700865	Hydrogen_Bond_Donor_Count	0
19995942	Covalent_Unit_Count	1
6433208	Structure_Complexity	509
135398670	Undefined_Atom_Stereo_Count	0
225147	Exact_Mass	116.083729621
56430	Structure_Complexity	87.9
78521	Tautomer_Count	7
56659408	Structure_Complexity	615
34023	XLogP3	1.2
16061135	Covalent_Unit_Count	1
12229396	Undefined_Atom_Stereo_Count	0
83805	Molecular_Weight	383.23
140313277	Rotatable_Bond_Count	2
53691700	Mono_Isotopic_Weight	117.078978594
13562	Undefined_Bond_Stereo_Count	0
17567	Total_Formal_Charge	0
7303	Undefined_Bond_Stereo_Count	0
105426935	Undefined_Atom_Stereo_Count	1
52941568	Hydrogen_Bond_Donor_Count	0
219522	Hydrogen_Bond_Donor_Count	0
429571	Total_Formal_Charge	0
5165230	Hydrogen_Bond_Acceptor_Count	3
5284632	XLogP3-AA	4.4
10329946	Molecular_Weight	181.15
1034	Defined_Atom_Stereo_Count	0
2006	TPSA	121
93290	Hydrogen_Bond_Acceptor_Count	0
12295187	Covalent_Unit_Count	1
2775149	Covalent_Unit_Count	2
4582877	Structure_Complexity	172
11194307	Undefined_Atom_Stereo_Count	1
10278470	Structure_Complexity	686
445691	Structure_Complexity	146
10967532	Total_Formal_Charge	0
447377	Total_Formal_Charge	0
29348	Structure_Complexity	264
53873414	Defined_Atom_Stereo_Count	0
16122553	Covalent_Unit_Count	1
101835694	Isotope_Atom_Count	0
11477180	Mono_Isotopic_Weight	480.1483669
59844561	Isotope_Atom_Count	0
12502856	Hydrogen_Bond_Acceptor_Count	1
84896	Undefined_Atom_Stereo_Count	0
13898	Defined_Bond_Stereo_Count	0
116021439	Mono_Isotopic_Weight	113.084063974
11355447	Tautomer_Count	1
42268	Rotatable_Bond_Count	2
12740469	Molecular_Weight	114.14
10789	Total_Formal_Charge	0
890	Undefined_Bond_Stereo_Count	0
7133	TPSA	3.9
12502754	Molecular_Weight	97.12
27552	Covalent_Unit_Count	1
11290087	TPSA	57.5
66697936	Rotatable_Bond_Count	0
10107393	Covalent_Unit_Count	1
14892	Defined_Atom_Stereo_Count	2
140342802	Hydrogen_Bond_Acceptor_Count	2
5280933	XLogP3-AA	5.9
44590515	Hydrogen_Bond_Donor_Count	2
143378061	Undefined_Bond_Stereo_Count	0
520362	Structure_Complexity	101
15940193	Non-hydrogen_Atom_Count	22
67704	Tautomer_Count	2
9867361	Covalent_Unit_Count	1
54376298	Total_Formal_Charge	0
54693468	Rotatable_Bond_Count	2
53694406	Non-hydrogen_Atom_Count	7
3081411	TPSA	340
54610154	Structure_Complexity	1090
136059	Defined_Atom_Stereo_Count	0
78352	Total_Formal_Charge	0
63346	Molecular_Weight	350.4
5299	Defined_Bond_Stereo_Count	0
14299310	TPSA	46.2
20849290	Undefined_Bond_Stereo_Count	0
57391320	XLogP3-AA	3.1
55182	Structure_Complexity	443
117781134	Molecular_Weight	196.29
22611874	Hydrogen_Bond_Acceptor_Count	1
19989408	Undefined_Bond_Stereo_Count	0
13528	Exact_Mass	104.0028925
13578	Total_Formal_Charge	0
451447	Exact_Mass	279.0734316
9889168	Structure_Complexity	252
491941	Rotatable_Bond_Count	5
62398142	TPSA	35.8
10246505	Defined_Atom_Stereo_Count	0
146681110	Covalent_Unit_Count	1
970341	Non-hydrogen_Atom_Count	23
8904	XLogP3-AA	3.7
23555879	Exact_Mass	99.068413911
11596660	Non-hydrogen_Atom_Count	31
6918663	Mono_Isotopic_Weight	401.0634615
13776	Covalent_Unit_Count	3
23777801	Rotatable_Bond_Count	6
625661	Structure_Complexity	384
11430	Covalent_Unit_Count	3
20270668	Hydrogen_Bond_Acceptor_Count	1
46839993	Non-hydrogen_Atom_Count	6
11930	Exact_Mass	306.140850574
33498	Defined_Atom_Stereo_Count	2
6403	Undefined_Atom_Stereo_Count	0
13586830	Mono_Isotopic_Weight	98.000393922
3579812	Defined_Bond_Stereo_Count	0
12539007	Isotope_Atom_Count	0
18934502	Molecular_Weight	84.12
12651160	Defined_Bond_Stereo_Count	0
8058	Undefined_Bond_Stereo_Count	0
27350	Undefined_Bond_Stereo_Count	0
74600475	Hydrogen_Bond_Donor_Count	3
2123	Isotope_Atom_Count	0
637892	Defined_Atom_Stereo_Count	0
53786	Exact_Mass	370.18566972
88142236	Defined_Atom_Stereo_Count	0
33741	Total_Formal_Charge	0
6422843	Undefined_Atom_Stereo_Count	0
63973	Total_Formal_Charge	0
181052	XLogP3-AA	3.3
87501539	Non-hydrogen_Atom_Count	8
164533	Tautomer_Count	2
58714	Defined_Atom_Stereo_Count	0
23617705	Rotatable_Bond_Count	0
80281	Rotatable_Bond_Count	17
13658862	Total_Formal_Charge	0
28754	Non-hydrogen_Atom_Count	31
436542	Rotatable_Bond_Count	1
656668	Structure_Complexity	933
162908	Covalent_Unit_Count	1
57223656	Defined_Bond_Stereo_Count	0
71399	Exact_Mass	445.1404486
102399	Undefined_Bond_Stereo_Count	0
73513	TPSA	95.9
70912	Molecular_Weight	173.21
15732451	Rotatable_Bond_Count	4
122283	Defined_Bond_Stereo_Count	0
22174896	Hydrogen_Bond_Acceptor_Count	2
54688683	Undefined_Atom_Stereo_Count	0
139171223	Rotatable_Bond_Count	5
9696	Isotope_Atom_Count	0
160576	Isotope_Atom_Count	0
439518	Tautomer_Count	8
15633846	Non-hydrogen_Atom_Count	8
2777993	Undefined_Atom_Stereo_Count	0
26185	Non-hydrogen_Atom_Count	17
42602176	Isotope_Atom_Count	0
40463608	Defined_Atom_Stereo_Count	0
155893624	Isotope_Atom_Count	0
8791	Undefined_Atom_Stereo_Count	0
16051921	Rotatable_Bond_Count	6
4688	Undefined_Bond_Stereo_Count	0
67233382	Undefined_Bond_Stereo_Count	0
18156	Hydrogen_Bond_Donor_Count	0
3641725	Total_Formal_Charge	0
91697	Non-hydrogen_Atom_Count	12
3652	Rotatable_Bond_Count	9
4943	Mono_Isotopic_Weight	178.135765193
7130	Rotatable_Bond_Count	2
23718384	Structure_Complexity	477
121587	Hydrogen_Bond_Acceptor_Count	4
93357	Structure_Complexity	643
5491665	Mono_Isotopic_Weight	531.1560986
13084	Isotope_Atom_Count	0
21096	Structure_Complexity	151
19474	Rotatable_Bond_Count	0
40376	Tautomer_Count	1
4132186	XLogP3-AA	3.2
24867561	Defined_Atom_Stereo_Count	3
134694664	Isotope_Atom_Count	0
65872	Tautomer_Count	2
9081	Non-hydrogen_Atom_Count	10
1033	Non-hydrogen_Atom_Count	52
18789128	Exact_Mass	101.047678466
537396	XLogP3-AA	0
5271569	Molecular_Weight	228.28
11540045	XLogP3-AA	5.8
5282109	TPSA	26.3
3389	Isotope_Atom_Count	0
14338	Tautomer_Count	1
4659570	Mono_Isotopic_Weight	277.191603044
7987	Hydrogen_Bond_Acceptor_Count	6
16074056	Hydrogen_Bond_Donor_Count	2
6434144	Hydrogen_Bond_Acceptor_Count	8
10718	Hydrogen_Bond_Donor_Count	3
75195	Total_Formal_Charge	0
16212436	Mono_Isotopic_Weight	566.04954
117214253	Defined_Bond_Stereo_Count	0
2733526	Molecular_Weight	371.5
134694857	Hydrogen_Bond_Acceptor_Count	9
15291	Rotatable_Bond_Count	3
59904965	Hydrogen_Bond_Acceptor_Count	0
140535901	Covalent_Unit_Count	1
12793	Non-hydrogen_Atom_Count	11
131003005	Non-hydrogen_Atom_Count	8
131750205	Molecular_Weight	1104.6
5353830	Defined_Bond_Stereo_Count	1
85248	Rotatable_Bond_Count	2
101838	Undefined_Atom_Stereo_Count	0
12663409	Isotope_Atom_Count	0
24866867	Rotatable_Bond_Count	7
14679813	Rotatable_Bond_Count	7
534258	Defined_Atom_Stereo_Count	0
8194	XLogP3-AA	4.9
96273	Non-hydrogen_Atom_Count	9
74724	Covalent_Unit_Count	2
615	Non-hydrogen_Atom_Count	14
118578546	Isotope_Atom_Count	0
225609	Total_Formal_Charge	0
6257	Rotatable_Bond_Count	4
18732	Structure_Complexity	79.6
91116427	Undefined_Atom_Stereo_Count	0
518966	Undefined_Atom_Stereo_Count	0
19118	Exact_Mass	501.98813164
10071747	Rotatable_Bond_Count	7
57483528	TPSA	110
9160	Rotatable_Bond_Count	0
19111	Tautomer_Count	2
244867	Total_Formal_Charge	0
66755	Exact_Mass	138.068079557
142422	Covalent_Unit_Count	1
37134563	Defined_Bond_Stereo_Count	0
5360515	Total_Formal_Charge	0
95187	Mono_Isotopic_Weight	149.07014524
6871212	Defined_Atom_Stereo_Count	0
10202492	Undefined_Bond_Stereo_Count	0
141336344	Molecular_Weight	114.14
134925337	Non-hydrogen_Atom_Count	7
825921	Isotope_Atom_Count	0
6436117	Undefined_Atom_Stereo_Count	0
667450	Undefined_Bond_Stereo_Count	0
13243	Undefined_Atom_Stereo_Count	0
61141	Isotope_Atom_Count	0
4278	Hydrogen_Bond_Acceptor_Count	2
23663539	Exact_Mass	287.825997
70692775	Isotope_Atom_Count	0
6917880	Rotatable_Bond_Count	5
71358911	Defined_Bond_Stereo_Count	0
9859	Hydrogen_Bond_Acceptor_Count	2
25078013	Total_Formal_Charge	0
85999939	Undefined_Bond_Stereo_Count	0
5287554	Tautomer_Count	27
164888	Undefined_Atom_Stereo_Count	0
5256228	Undefined_Bond_Stereo_Count	0
12571	Structure_Complexity	86.9
4648	Rotatable_Bond_Count	10
24405	Total_Formal_Charge	0
67444	XLogP3	7
9952	Isotope_Atom_Count	0
101203296	Hydrogen_Bond_Acceptor_Count	1
53803	Covalent_Unit_Count	2
26009888	Covalent_Unit_Count	1
16049376	Defined_Atom_Stereo_Count	1
75090	Undefined_Atom_Stereo_Count	0
7021	Exact_Mass	238.08412354
688803	Defined_Atom_Stereo_Count	0
89737	Total_Formal_Charge	0
16219567	Hydrogen_Bond_Donor_Count	8
17549	Mono_Isotopic_Weight	224.04332136
54335228	XLogP3-AA	0.2
44563327	Molecular_Weight	518.4
1516	Isotope_Atom_Count	0
11957547	Defined_Bond_Stereo_Count	0
62334	Isotope_Atom_Count	0
30627	Rotatable_Bond_Count	10
6451477	Tautomer_Count	1
9549284	Hydrogen_Bond_Donor_Count	2
52421	Rotatable_Bond_Count	9
6972	Undefined_Atom_Stereo_Count	0
10528103	Hydrogen_Bond_Donor_Count	3
46917793	Undefined_Bond_Stereo_Count	0
5463057	Rotatable_Bond_Count	2
11029761	Rotatable_Bond_Count	1
675533	Structure_Complexity	365
238498	Covalent_Unit_Count	1
449688	Undefined_Bond_Stereo_Count	0
66545744	Isotope_Atom_Count	0
14297259	Molecular_Weight	96.17
21896570	Hydrogen_Bond_Acceptor_Count	2
21622	Covalent_Unit_Count	1
8330	Rotatable_Bond_Count	0
135407110	Mono_Isotopic_Weight	268.08076950
4514	Tautomer_Count	2
2083	Hydrogen_Bond_Donor_Count	4
71898	Undefined_Bond_Stereo_Count	0
118328333	Covalent_Unit_Count	1
413742	Total_Formal_Charge	0
5320191	Covalent_Unit_Count	1
10026604	Hydrogen_Bond_Acceptor_Count	5
14017772	Non-hydrogen_Atom_Count	8
96381	Mono_Isotopic_Weight	220.146329876
71295848	Exact_Mass	201.95763530
131749560	Exact_Mass	164.139901825
3859614	Isotope_Atom_Count	0
58890	Molecular_Weight	321.8
87851	Total_Formal_Charge	0
20438510	Defined_Atom_Stereo_Count	0
4468	Exact_Mass	1268.0156085
13528037	Mono_Isotopic_Weight	499.9470097
143670559	Isotope_Atom_Count	0
88318	Undefined_Atom_Stereo_Count	0
15413224	Hydrogen_Bond_Donor_Count	3
77533	Undefined_Bond_Stereo_Count	0
657201	Molecular_Weight	362.3
3704	Isotope_Atom_Count	0
21497	Undefined_Atom_Stereo_Count	0
8842	Undefined_Atom_Stereo_Count	1
23276065	Mono_Isotopic_Weight	362.0144595
596	TPSA	129
96651	Defined_Bond_Stereo_Count	0
33039	Mono_Isotopic_Weight	244.08593506
132274074	Non-hydrogen_Atom_Count	115
363	Undefined_Bond_Stereo_Count	0
11294	Exact_Mass	364.1706265
84945	Molecular_Weight	483.6189
56672296	Exact_Mass	396.15101554
30981	TPSA	54
3037582	Total_Formal_Charge	0
16759173	Molecular_Weight	446.5
44134949	Defined_Bond_Stereo_Count	0
16685262	Total_Formal_Charge	0
999	Mono_Isotopic_Weight	136.052429494
53446942	Covalent_Unit_Count	1
118459248	Molecular_Weight	342.30
139059144	XLogP3-AA	1.2
87793884	Undefined_Bond_Stereo_Count	0
53810451	Structure_Complexity	80.1
17807258	Molecular_Weight	113.08
604767	Mono_Isotopic_Weight	244.08644602
51644315	Hydrogen_Bond_Donor_Count	1
107	Defined_Atom_Stereo_Count	0
154578334	Hydrogen_Bond_Donor_Count	2
16131191	Hydrogen_Bond_Acceptor_Count	58
58638	Non-hydrogen_Atom_Count	20
7936	Covalent_Unit_Count	1
165857173	Hydrogen_Bond_Donor_Count	0
53917786	Molecular_Weight	113.08
41465	Tautomer_Count	1
112239	TPSA	26.3
115368	Hydrogen_Bond_Donor_Count	0
53811889	Non-hydrogen_Atom_Count	8
21749202	Mono_Isotopic_Weight	116.083729621
135449331	Hydrogen_Bond_Acceptor_Count	11
58840878	Isotope_Atom_Count	0
12213229	Hydrogen_Bond_Acceptor_Count	4
16212610	Undefined_Bond_Stereo_Count	0
27423	Undefined_Atom_Stereo_Count	0
91386640	Non-hydrogen_Atom_Count	7
135802074	Molecular_Weight	601.6
573744	Undefined_Atom_Stereo_Count	0
2325	Structure_Complexity	374
15565266	Hydrogen_Bond_Donor_Count	2
1044	Mono_Isotopic_Weight	120.043596145
94213	Non-hydrogen_Atom_Count	12
60613	Hydrogen_Bond_Acceptor_Count	6
11281011	Isotope_Atom_Count	0
43116	Exact_Mass	851.37752882
151173	Total_Formal_Charge	0
16526	Exact_Mass	146.01499861
88489334	Defined_Bond_Stereo_Count	0
15208461	XLogP3-AA	0.1
2167092	Covalent_Unit_Count	1
49862460	Covalent_Unit_Count	1
33334	Hydrogen_Bond_Acceptor_Count	4
11825335	Mono_Isotopic_Weight	391.1350495
2223	Undefined_Atom_Stereo_Count	1
9888618	Undefined_Atom_Stereo_Count	0
92108	Rotatable_Bond_Count	0
297812	Molecular_Weight	319.26
68016611	Covalent_Unit_Count	1
5283748	Undefined_Atom_Stereo_Count	0
138442	Defined_Bond_Stereo_Count	0
49769064	Undefined_Atom_Stereo_Count	5
595	Hydrogen_Bond_Donor_Count	4
562	Hydrogen_Bond_Acceptor_Count	4
45934213	Defined_Atom_Stereo_Count	8
71358911	Isotope_Atom_Count	0
12434155	Exact_Mass	112.052429494
122232532	Rotatable_Bond_Count	26
80428	Hydrogen_Bond_Acceptor_Count	0
90884886	Non-hydrogen_Atom_Count	8
18414702	XLogP3-AA	0.3
4545429	Molecular_Weight	391.3
6114	Non-hydrogen_Atom_Count	12
20150	Hydrogen_Bond_Donor_Count	0
6918988	Hydrogen_Bond_Donor_Count	2
92043261	Defined_Atom_Stereo_Count	0
57396150	Mono_Isotopic_Weight	462.23007675
67955	Total_Formal_Charge	0
4885	Tautomer_Count	2
950	Mono_Isotopic_Weight	137.084063974
5827	Defined_Bond_Stereo_Count	0
46625	Exact_Mass	195.05315777
135465076	Defined_Bond_Stereo_Count	1
64722	Hydrogen_Bond_Donor_Count	1
92763	Molecular_Weight	547.5
139292184	Defined_Bond_Stereo_Count	0
54587655	Hydrogen_Bond_Donor_Count	1
6440183	Molecular_Weight	175.18
23892	Isotope_Atom_Count	0
54689800	XLogP3	1.8
10142377	TPSA	149
20980871	Tautomer_Count	1
17863	Exact_Mass	232.92378
30360	XLogP3	1.5
53276	Exact_Mass	304.13355396
5282947	Undefined_Bond_Stereo_Count	0
100965141	Exact_Mass	342.11638967
124225	Non-hydrogen_Atom_Count	24
129785733	Molecular_Weight	98.10
14833	Covalent_Unit_Count	5
52195	XLogP3-AA	3
18681973	Undefined_Bond_Stereo_Count	0
11233	Mono_Isotopic_Weight	114.140850574
83800	Undefined_Bond_Stereo_Count	0
12769	Defined_Atom_Stereo_Count	0
143714846	Covalent_Unit_Count	1
7451	Hydrogen_Bond_Acceptor_Count	2
5270603	Molecular_Weight	242.23
447196	Structure_Complexity	354
23270355	XLogP3-AA	0.9
21553255	Structure_Complexity	76.2
873	Hydrogen_Bond_Donor_Count	2
102362828	Total_Formal_Charge	0
968472	Undefined_Atom_Stereo_Count	0
2130	Structure_Complexity	144
79577129	Non-hydrogen_Atom_Count	8
62485	TPSA	50.9
185617	Tautomer_Count	19
58611	Undefined_Atom_Stereo_Count	0
1242	Mono_Isotopic_Weight	255.125928785
63650	Isotope_Atom_Count	0
35372055	Defined_Bond_Stereo_Count	0
15072854	Exact_Mass	113.084063974
86380	Non-hydrogen_Atom_Count	14
69508	Structure_Complexity	304
144402393	Isotope_Atom_Count	0
89162323	Isotope_Atom_Count	0
170359	Isotope_Atom_Count	0
25142699	Covalent_Unit_Count	1
28114	Mono_Isotopic_Weight	110.048012819
11725	Non-hydrogen_Atom_Count	5
91408842	Total_Formal_Charge	0
2816	Hydrogen_Bond_Donor_Count	1
15538	Total_Formal_Charge	0
9548889	Defined_Bond_Stereo_Count	0
162955687	Defined_Atom_Stereo_Count	10
23305129	Exact_Mass	904.44565070
53315818	Hydrogen_Bond_Acceptor_Count	3
19867655	Defined_Atom_Stereo_Count	0
919792	Isotope_Atom_Count	0
132781234	Undefined_Atom_Stereo_Count	0
10685477	Non-hydrogen_Atom_Count	22
40466968	TPSA	121
21868057	TPSA	0
65533	TPSA	157
2093	Hydrogen_Bond_Acceptor_Count	0
68646	Exact_Mass	229.1233420
46174453	Undefined_Atom_Stereo_Count	0
5477635	Tautomer_Count	3
13950368	Rotatable_Bond_Count	3
8863	Isotope_Atom_Count	0
99645347	Structure_Complexity	415
1367	Covalent_Unit_Count	1
54132691	Mono_Isotopic_Weight	108.093900383
62485	Defined_Bond_Stereo_Count	0
41897	Exact_Mass	211.1127773
6453528	Non-hydrogen_Atom_Count	21
44570851	Isotope_Atom_Count	0
15004699	Structure_Complexity	82.6
3033968	Rotatable_Bond_Count	2
23680396	Non-hydrogen_Atom_Count	38
120081	TPSA	76.7
6342	Non-hydrogen_Atom_Count	3
1276	Mono_Isotopic_Weight	297.06709375
213016	TPSA	69.5
123664524	Molecular_Weight	114.19
67215	Covalent_Unit_Count	1
5362487	Rotatable_Bond_Count	0
30690	Structure_Complexity	527
13200	Mono_Isotopic_Weight	108.057514874
21359349	Hydrogen_Bond_Acceptor_Count	1
71584419	Hydrogen_Bond_Donor_Count	2
25244090	Molecular_Weight	198.18
87106053	Isotope_Atom_Count	0
89187987	Defined_Atom_Stereo_Count	0
82058	Undefined_Bond_Stereo_Count	0
7986	Mono_Isotopic_Weight	314.24570956
25014762	Rotatable_Bond_Count	6
87114	TPSA	42.1
95456	Covalent_Unit_Count	1
66582	Exact_Mass	173.047678466
6363	Hydrogen_Bond_Donor_Count	1
79076	Hydrogen_Bond_Acceptor_Count	7
2762785	Defined_Atom_Stereo_Count	0
137895	Covalent_Unit_Count	1
11443	Mono_Isotopic_Weight	174.042927438
135400184	Hydrogen_Bond_Donor_Count	2
6918283	TPSA	239
49865971	Defined_Bond_Stereo_Count	0
97012111	Molecular_Weight	342.30
57173187	Total_Formal_Charge	0
10888051	Defined_Bond_Stereo_Count	0
11332423	Molecular_Weight	103.16
28563239	Exact_Mass	99.068413911
86260	Molecular_Weight	376.9
9916237	Non-hydrogen_Atom_Count	22
11825335	Isotope_Atom_Count	0
10964453	TPSA	12.5
82646	Hydrogen_Bond_Acceptor_Count	3
70681	Mono_Isotopic_Weight	277.2536278
57398259	TPSA	102
91753565	Covalent_Unit_Count	1
4038	Tautomer_Count	4
162501	Undefined_Bond_Stereo_Count	0
84098	Hydrogen_Bond_Acceptor_Count	8
53993017	Mono_Isotopic_Weight	196.146329876
53846425	Isotope_Atom_Count	0
500	Defined_Atom_Stereo_Count	0
894	Molecular_Weight	349.23
148680795	Mono_Isotopic_Weight	112.088815002
9989237	Undefined_Bond_Stereo_Count	0
77241	Undefined_Bond_Stereo_Count	0
92786	Defined_Bond_Stereo_Count	0
13225428	Rotatable_Bond_Count	2
71309927	Undefined_Bond_Stereo_Count	0
50923	Undefined_Bond_Stereo_Count	0
445375	Non-hydrogen_Atom_Count	9
88424	Hydrogen_Bond_Donor_Count	0
40466988	Rotatable_Bond_Count	11
107771	TPSA	73.8
54175107	XLogP3-AA	1
134693241	Mono_Isotopic_Weight	383.20563565
8308	Defined_Bond_Stereo_Count	0
14336	Undefined_Atom_Stereo_Count	0
52022	XLogP3-AA	5.2
14194343	Covalent_Unit_Count	1
9983746	Exact_Mass	254.094294304
133620	Structure_Complexity	275
68739990	Undefined_Atom_Stereo_Count	0
7825	Covalent_Unit_Count	1
5282340	Defined_Bond_Stereo_Count	0
23394	Undefined_Bond_Stereo_Count	0
12140167	Mono_Isotopic_Weight	110.03409409
53595	Molecular_Weight	687.8
9863552	Non-hydrogen_Atom_Count	26
23663963	Defined_Atom_Stereo_Count	0
19849296	Covalent_Unit_Count	1
520148	Tautomer_Count	1
20632752	Non-hydrogen_Atom_Count	7
10898	Covalent_Unit_Count	1
657690	Total_Formal_Charge	1
53846420	Defined_Atom_Stereo_Count	6
13120	Rotatable_Bond_Count	4
25005580	Total_Formal_Charge	0
59712821	Defined_Atom_Stereo_Count	0
329061	Rotatable_Bond_Count	4
53924211	TPSA	58.5
5311429	Hydrogen_Bond_Donor_Count	2
49968	Defined_Atom_Stereo_Count	0
68929	Exact_Mass	288.17254462
6734	TPSA	0
9234	Exact_Mass	98.073164938
66776828	Isotope_Atom_Count	0
131057	Molecular_Weight	241.29
297691	Molecular_Weight	337.2
522105	Hydrogen_Bond_Acceptor_Count	1
498459	Undefined_Bond_Stereo_Count	0
19090	Rotatable_Bond_Count	1
91133104	Structure_Complexity	72.2
18608283	Total_Formal_Charge	0
13011	Exact_Mass	142.0185425
39507	Total_Formal_Charge	0
13997619	Structure_Complexity	79.8
12533146	Non-hydrogen_Atom_Count	6
16822	TPSA	49.7
6422	Molecular_Weight	114.02
3532561	Undefined_Atom_Stereo_Count	0
101641111	Undefined_Atom_Stereo_Count	0
13036911	Isotope_Atom_Count	0
299801	Covalent_Unit_Count	1
10484815	Mono_Isotopic_Weight	694.31870834
73604	Hydrogen_Bond_Donor_Count	4
14027412	Non-hydrogen_Atom_Count	8
137553932	Undefined_Atom_Stereo_Count	0
55278707	Non-hydrogen_Atom_Count	7
5365794	Tautomer_Count	1
56659	TPSA	49.8
11635763	Hydrogen_Bond_Acceptor_Count	9
449087	Rotatable_Bond_Count	4
53389	TPSA	20.2
5666	Covalent_Unit_Count	1
9327	Undefined_Atom_Stereo_Count	0
3037798	Undefined_Bond_Stereo_Count	0
82336	Isotope_Atom_Count	0
1946	Covalent_Unit_Count	1
5635	Non-hydrogen_Atom_Count	24
150	Exact_Mass	229.03513872
10111431	Hydrogen_Bond_Donor_Count	1
17899	Exact_Mass	226.266051085
60196398	Exact_Mass	676.30296691
67818	Mono_Isotopic_Weight	363.9768954
26613	Tautomer_Count	1
119097769	Structure_Complexity	125
777	Covalent_Unit_Count	1
444031	Covalent_Unit_Count	1
4432690	Structure_Complexity	962
12579408	Undefined_Atom_Stereo_Count	2
2707	Isotope_Atom_Count	0
115236	Undefined_Atom_Stereo_Count	0
49855683	Undefined_Atom_Stereo_Count	0
443604	Rotatable_Bond_Count	10
7321	Undefined_Bond_Stereo_Count	0
87081618	Total_Formal_Charge	0
611887	Molecular_Weight	229.27
8674	Structure_Complexity	527
86751	Exact_Mass	158.167065321
10348973	Defined_Atom_Stereo_Count	0
73013349	Total_Formal_Charge	0
112	Mono_Isotopic_Weight	212.98002914
70111	Defined_Atom_Stereo_Count	0
70582	Molecular_Weight	328.16
29109	Non-hydrogen_Atom_Count	1
80654	Isotope_Atom_Count	0
46942	Total_Formal_Charge	2
123725105	Exact_Mass	115.063328530
64696	Hydrogen_Bond_Donor_Count	2
317543	Hydrogen_Bond_Acceptor_Count	1
360	Total_Formal_Charge	0
13360	Molecular_Weight	130.14
8906	Total_Formal_Charge	0
45270539	Undefined_Bond_Stereo_Count	0
12751986	Defined_Bond_Stereo_Count	0
54961	TPSA	31.7
69325	Tautomer_Count	1
54122457	Rotatable_Bond_Count	2
656652	Defined_Bond_Stereo_Count	0
3714831	Non-hydrogen_Atom_Count	11
13348970	Undefined_Atom_Stereo_Count	0
8682	Total_Formal_Charge	1
9528	Molecular_Weight	182.06
19028568	Defined_Atom_Stereo_Count	0
142891	Molecular_Weight	276.07
134032	Isotope_Atom_Count	0
91746625	Mono_Isotopic_Weight	386.264106985
91397067	Undefined_Atom_Stereo_Count	3
102102472	XLogP3-AA	3.2
2762816	Undefined_Atom_Stereo_Count	0
4726	Hydrogen_Bond_Donor_Count	3
266934	Total_Formal_Charge	0
10774245	Undefined_Bond_Stereo_Count	0
15965	Covalent_Unit_Count	1
4900	Rotatable_Bond_Count	2
13037814	Total_Formal_Charge	0
2321753	Undefined_Atom_Stereo_Count	0
6441283	Isotope_Atom_Count	0
71624686	Hydrogen_Bond_Acceptor_Count	4
97389	Hydrogen_Bond_Acceptor_Count	3
31238	Exact_Mass	260.250401021
4436	Hydrogen_Bond_Donor_Count	1
19469	Isotope_Atom_Count	0
3796640	XLogP3-AA	2.9
4583	Covalent_Unit_Count	1
8270	Defined_Atom_Stereo_Count	3
448223	Undefined_Atom_Stereo_Count	0
17617	Covalent_Unit_Count	1
20387231	Covalent_Unit_Count	1
3036656	Rotatable_Bond_Count	7
11062312	Defined_Bond_Stereo_Count	0
135538685	Exact_Mass	247.10692467
10239	Defined_Bond_Stereo_Count	0
88977	Exact_Mass	324.314063904
243	Structure_Complexity	104
13452165	Non-hydrogen_Atom_Count	16
12386566	Non-hydrogen_Atom_Count	20
520668	Undefined_Atom_Stereo_Count	0
134688573	Molecular_Weight	496.6
23705	Undefined_Bond_Stereo_Count	0
147919783	Rotatable_Bond_Count	3
117563748	Defined_Bond_Stereo_Count	0
67016	Defined_Atom_Stereo_Count	0
101254311	Hydrogen_Bond_Acceptor_Count	6
16212984	Structure_Complexity	54.9
72518	Exact_Mass	528.16316171
135565106	Defined_Atom_Stereo_Count	0
93843	XLogP3-AA	5
89311	Undefined_Atom_Stereo_Count	1
8215	XLogP3	9.6
68323	Undefined_Bond_Stereo_Count	0
71720685	Hydrogen_Bond_Acceptor_Count	11
447545	XLogP3-AA	2
1603	Structure_Complexity	794
56846451	Total_Formal_Charge	0
414243	Hydrogen_Bond_Donor_Count	2
54307	Non-hydrogen_Atom_Count	18
12068306	Exact_Mass	94.078250319
87359450	Isotope_Atom_Count	0
146159225	Isotope_Atom_Count	0
62097	Defined_Atom_Stereo_Count	0
135409438	Tautomer_Count	9
98051220	Defined_Bond_Stereo_Count	0
44319	Undefined_Atom_Stereo_Count	0
103023	Non-hydrogen_Atom_Count	11
7686	Total_Formal_Charge	0
78323	Hydrogen_Bond_Donor_Count	2
129695690	Defined_Bond_Stereo_Count	0
703036	Molecular_Weight	250.05
35740	TPSA	170
21998248	Structure_Complexity	212
43806	Hydrogen_Bond_Donor_Count	2
25159190	Undefined_Atom_Stereo_Count	0
23669238	Mono_Isotopic_Weight	537.8933753
86147436	TPSA	29.1
19918535	Molecular_Weight	97.12
28459	Non-hydrogen_Atom_Count	12
190	Defined_Atom_Stereo_Count	0
900090	Structure_Complexity	355
69370	Isotope_Atom_Count	0
121290492	Hydrogen_Bond_Donor_Count	8
801471	Undefined_Atom_Stereo_Count	0
96237	Molecular_Weight	286.3
16659838	Undefined_Bond_Stereo_Count	0
796414	Molecular_Weight	276.37
9854489	Covalent_Unit_Count	1
12003287	TPSA	110
53708	Hydrogen_Bond_Acceptor_Count	3
123555270	Covalent_Unit_Count	1
8483	Defined_Atom_Stereo_Count	0
88901652	TPSA	38.7
102239676	Non-hydrogen_Atom_Count	28
86747	Covalent_Unit_Count	1
143811683	Covalent_Unit_Count	1
67970	Hydrogen_Bond_Acceptor_Count	2
18049	Exact_Mass	118.099379685
22011941	Total_Formal_Charge	0
73049652	Mono_Isotopic_Weight	958.10256
26098	Isotope_Atom_Count	0
10028830	Exact_Mass	497.19844227
6451143	Non-hydrogen_Atom_Count	13
2773621	Covalent_Unit_Count	1
420	Isotope_Atom_Count	0
512289	Covalent_Unit_Count	1
5795	Isotope_Atom_Count	0
135925740	Rotatable_Bond_Count	5
2999	Hydrogen_Bond_Acceptor_Count	2
135413539	Defined_Bond_Stereo_Count	2
11804710	Defined_Bond_Stereo_Count	0
89292361	Hydrogen_Bond_Donor_Count	2
9794218	Undefined_Bond_Stereo_Count	0
5355732	Total_Formal_Charge	0
20387194	Hydrogen_Bond_Acceptor_Count	1
3073	XLogP3	0.6
10489	Total_Formal_Charge	0
271792	Covalent_Unit_Count	1
10387485	Molecular_Weight	422.2
140898864	Defined_Atom_Stereo_Count	0
44235958	Molecular_Weight	793.4
136102	Hydrogen_Bond_Acceptor_Count	1
59646	Defined_Atom_Stereo_Count	0
14251035	Undefined_Bond_Stereo_Count	0
65114	Exact_Mass	244.08076950
54153355	Structure_Complexity	240
51358375	Isotope_Atom_Count	0
2528	Exact_Mass	627.7853
62766	Total_Formal_Charge	0
76220109	Rotatable_Bond_Count	1
6473741	Total_Formal_Charge	0
368	Hydrogen_Bond_Donor_Count	3
572565	Undefined_Bond_Stereo_Count	0
5326971	Covalent_Unit_Count	1
798	Non-hydrogen_Atom_Count	9
16219385	Hydrogen_Bond_Acceptor_Count	6
5274428	Hydrogen_Bond_Donor_Count	2
2265	Total_Formal_Charge	0
1674	Isotope_Atom_Count	0
21252905	Non-hydrogen_Atom_Count	8
68862	Undefined_Atom_Stereo_Count	1
16170150	XLogP3-AA	10.7
135398592	Non-hydrogen_Atom_Count	19
11539235	Rotatable_Bond_Count	6
230995	Exact_Mass	162.068079557
8106	Defined_Bond_Stereo_Count	0
56609761	Defined_Atom_Stereo_Count	0
6427110	Covalent_Unit_Count	1
43725	Undefined_Atom_Stereo_Count	0
75018	Undefined_Bond_Stereo_Count	0
28693	Undefined_Atom_Stereo_Count	0
96098	Defined_Atom_Stereo_Count	0
16454	Exact_Mass	101.047678466
9609	Non-hydrogen_Atom_Count	5
11990	TPSA	52
134613	Molecular_Weight	270.28
23279312	Structure_Complexity	123
55288256	Rotatable_Bond_Count	0
15356533	TPSA	46.2
156592059	Structure_Complexity	1840
8800	Exact_Mass	198.0559907
5377410	Defined_Atom_Stereo_Count	0
118994155	Mono_Isotopic_Weight	109.052763847
91759532	Isotope_Atom_Count	0
9904502	Total_Formal_Charge	0
75905	Isotope_Atom_Count	0
141169622	Mono_Isotopic_Weight	101.047678466
755	Covalent_Unit_Count	1
2128	Defined_Bond_Stereo_Count	0
129655960	Hydrogen_Bond_Acceptor_Count	9
149026	Undefined_Bond_Stereo_Count	0
47750	Undefined_Atom_Stereo_Count	0
58028426	Exact_Mass	112.027277375
6168	Rotatable_Bond_Count	3
819440	Covalent_Unit_Count	1
418296	Defined_Atom_Stereo_Count	0
21973793	Undefined_Bond_Stereo_Count	0
10004622	XLogP3-AA	5.9
5288149	Undefined_Atom_Stereo_Count	0
76485	Undefined_Bond_Stereo_Count	0
78949	Isotope_Atom_Count	0
75786	Exact_Mass	224.177630004
6604334	Defined_Atom_Stereo_Count	19
7732	Defined_Atom_Stereo_Count	0
139488	TPSA	17.1
5070	Isotope_Atom_Count	0
131770024	Undefined_Bond_Stereo_Count	0
6923346	XLogP3	1.7
11320921	Non-hydrogen_Atom_Count	8
10297008	Mono_Isotopic_Weight	440.12667431
227274	Defined_Bond_Stereo_Count	0
6336554	Defined_Bond_Stereo_Count	0
8911	Undefined_Atom_Stereo_Count	0
16953	Hydrogen_Bond_Donor_Count	0
118705485	Undefined_Atom_Stereo_Count	1
636523	Undefined_Bond_Stereo_Count	0
45923684	Rotatable_Bond_Count	0
20639618	Exact_Mass	20.047748626
141010	Total_Formal_Charge	0
16136912	Defined_Atom_Stereo_Count	22
25015692	Undefined_Bond_Stereo_Count	0
145832	Structure_Complexity	124
50912739	Structure_Complexity	3140
92406	Hydrogen_Bond_Acceptor_Count	3
13003788	Molecular_Weight	110.15
321	Defined_Bond_Stereo_Count	0
3037918	Structure_Complexity	352
25256832	Exact_Mass	276.16985928
91497276	Hydrogen_Bond_Donor_Count	0
938021	Undefined_Atom_Stereo_Count	0
46239	Undefined_Bond_Stereo_Count	0
7976	Mono_Isotopic_Weight	94.053098200
60165655	Structure_Complexity	308
148192	Exact_Mass	704.38974802
69158971	Hydrogen_Bond_Acceptor_Count	3
26747	TPSA	40.5
14520	Total_Formal_Charge	0
54581904	Undefined_Bond_Stereo_Count	0
57397810	Defined_Bond_Stereo_Count	0
10558601	Hydrogen_Bond_Acceptor_Count	2
37036	Total_Formal_Charge	0
38019	Mono_Isotopic_Weight	357.844416
6713443	Defined_Bond_Stereo_Count	0
154734173	TPSA	55.4
87215	Molecular_Weight	400.5
130349042	Covalent_Unit_Count	1
10909485	Defined_Atom_Stereo_Count	0
132236745	Exact_Mass	112.100048391
43146	Mono_Isotopic_Weight	251.131014166
71248	Structure_Complexity	471
45381907	Exact_Mass	377.11577528
688378	Hydrogen_Bond_Donor_Count	3
92722	Hydrogen_Bond_Acceptor_Count	8
95197	Rotatable_Bond_Count	2
4996851	XLogP3-AA	0.7
20517187	Defined_Atom_Stereo_Count	0
144369145	Mono_Isotopic_Weight	98.048012819
7434	Structure_Complexity	229
3766	XLogP3-AA	5.2
62479	Total_Formal_Charge	0
101611446	Hydrogen_Bond_Acceptor_Count	0
137117239	Covalent_Unit_Count	1
6904	Defined_Bond_Stereo_Count	0
17321	Structure_Complexity	220
14913584	XLogP3-AA	0.8
5553	Isotope_Atom_Count	0
58907754	XLogP3-AA	2.5
66792062	Defined_Atom_Stereo_Count	0
129812487	Structure_Complexity	83.6
145925690	Total_Formal_Charge	0
21014417	Total_Formal_Charge	0
43457	Rotatable_Bond_Count	4
8257	Exact_Mass	86.073164938
9709	Mono_Isotopic_Weight	129.03900549
123630	Molecular_Weight	300.29
11638363	Defined_Bond_Stereo_Count	0
101561	Hydrogen_Bond_Donor_Count	3
69785	Mono_Isotopic_Weight	498.9534782
87700	Undefined_Bond_Stereo_Count	0
53324736	Undefined_Atom_Stereo_Count	1
3938007	Mono_Isotopic_Weight	257.17662169
25079036	TPSA	512
8593	Undefined_Atom_Stereo_Count	0
75466425	Exact_Mass	294.173213330
682654	Total_Formal_Charge	0
22004078	Structure_Complexity	92.3
23552407	Defined_Atom_Stereo_Count	0
62787	Isotope_Atom_Count	0
158150	Undefined_Bond_Stereo_Count	0
73348210	Defined_Bond_Stereo_Count	0
62453	Isotope_Atom_Count	0
15306	Exact_Mass	86.073164938
138961	Hydrogen_Bond_Acceptor_Count	2
82536	Defined_Atom_Stereo_Count	0
6437850	TPSA	26
2211	Isotope_Atom_Count	0
21914607	Undefined_Atom_Stereo_Count	2
5356785	XLogP3	4.8
21693	Rotatable_Bond_Count	10
299664	Tautomer_Count	36
54130	Molecular_Weight	260.33
21189113	Covalent_Unit_Count	1
5208	Exact_Mass	288.09977361
14127	Isotope_Atom_Count	0
3081938	Non-hydrogen_Atom_Count	16
6604724	Defined_Bond_Stereo_Count	0
9804991	Exact_Mass	475.1873988
69297	Isotope_Atom_Count	0
6324599	TPSA	159
7486	Defined_Bond_Stereo_Count	0
82528	Hydrogen_Bond_Donor_Count	0
44563117	Defined_Bond_Stereo_Count	0
76225402	Total_Formal_Charge	0
140557163	Total_Formal_Charge	0
36933	TPSA	24.9
112553	Exact_Mass	168.115029749
193965	Non-hydrogen_Atom_Count	9
42208	Structure_Complexity	716
17865	TPSA	9.2
131634423	Mono_Isotopic_Weight	394.1127302
5318599	TPSA	20.2
104805	Rotatable_Bond_Count	0
135409836	Defined_Atom_Stereo_Count	2
143289	Defined_Atom_Stereo_Count	0
133640201	Defined_Bond_Stereo_Count	1
140934984	TPSA	0
13245702	Hydrogen_Bond_Acceptor_Count	0
311434	Mono_Isotopic_Weight	311.0672836
85328	Covalent_Unit_Count	1
20158038	Defined_Bond_Stereo_Count	0
448457	Total_Formal_Charge	0
605283	Hydrogen_Bond_Donor_Count	2
26969	Hydrogen_Bond_Acceptor_Count	1
66735	Hydrogen_Bond_Acceptor_Count	1
82418980	Molecular_Weight	112.09
12594	Isotope_Atom_Count	0
20587930	XLogP3-AA	0.2
12220383	Hydrogen_Bond_Acceptor_Count	1
520902	Undefined_Atom_Stereo_Count	0
31872	Total_Formal_Charge	0
3951	Undefined_Bond_Stereo_Count	0
59330719	Defined_Atom_Stereo_Count	0
2826731	Hydrogen_Bond_Donor_Count	2
5496540	Molecular_Weight	1425.5
2599	Undefined_Atom_Stereo_Count	0
14517	Non-hydrogen_Atom_Count	9
10466809	Mono_Isotopic_Weight	240.11234441
11140	Rotatable_Bond_Count	1
56673014	Isotope_Atom_Count	0
5284542	XLogP3-AA	1.1
50914184	Defined_Atom_Stereo_Count	0
38034	Non-hydrogen_Atom_Count	15
48838	Rotatable_Bond_Count	2
70680969	Defined_Bond_Stereo_Count	0
54076653	Structure_Complexity	111
107294	Exact_Mass	116.047344113
23338788	Isotope_Atom_Count	0
92253	Non-hydrogen_Atom_Count	21
95125	Rotatable_Bond_Count	4
199480	Rotatable_Bond_Count	8
5282108	Mono_Isotopic_Weight	192.151415257
101916	Isotope_Atom_Count	0
14527402	Molecular_Weight	114.19
17747460	Hydrogen_Bond_Donor_Count	0
33	Molecular_Weight	78.50
164886662	Isotope_Atom_Count	0
294864	Rotatable_Bond_Count	1
151170	Isotope_Atom_Count	0
582	Undefined_Bond_Stereo_Count	0
96490	Covalent_Unit_Count	1
6995749	Undefined_Bond_Stereo_Count	0
5320191	Molecular_Weight	140.22
77507	Defined_Bond_Stereo_Count	0
44183569	Rotatable_Bond_Count	6
93500	XLogP3	3.4
95559	Non-hydrogen_Atom_Count	8
70500258	Undefined_Atom_Stereo_Count	1
8995	Structure_Complexity	174
91688	XLogP3-AA	5.1
45830	Covalent_Unit_Count	1
90055716	XLogP3-AA	1.2
131751341	Defined_Bond_Stereo_Count	1
1024	Total_Formal_Charge	0
5484450	Defined_Bond_Stereo_Count	0
8512	Non-hydrogen_Atom_Count	17
641298	Structure_Complexity	163
48199	Isotope_Atom_Count	0
18941761	Molecular_Weight	96.13
54110642	TPSA	57.5
137580	XLogP3	2.1
12305986	Rotatable_Bond_Count	0
5362460	Covalent_Unit_Count	1
5284530	Hydrogen_Bond_Donor_Count	3
1550874	Hydrogen_Bond_Donor_Count	2
2724247	Undefined_Bond_Stereo_Count	0
24408	Total_Formal_Charge	0
88043987	Undefined_Atom_Stereo_Count	3
5783	Hydrogen_Bond_Donor_Count	1
61067	Molecular_Weight	116.16
1639804	TPSA	46.5
129009964	Isotope_Atom_Count	0
535535	Hydrogen_Bond_Acceptor_Count	1
6433288	TPSA	57.9
18735	Non-hydrogen_Atom_Count	17
67164	Structure_Complexity	34.5
5311504	Exact_Mass	428.23514488
13783	Tautomer_Count	1
22023476	XLogP3-AA	0.6
6518103	Non-hydrogen_Atom_Count	23
83979	Mono_Isotopic_Weight	543.17406074
19884492	Non-hydrogen_Atom_Count	7
19067730	Covalent_Unit_Count	1
9796154	Mono_Isotopic_Weight	294.19434270
12443800	Hydrogen_Bond_Acceptor_Count	2
14577976	TPSA	51
11957654	Isotope_Atom_Count	0
7792	Hydrogen_Bond_Donor_Count	1
64964	Non-hydrogen_Atom_Count	14
71455486	Undefined_Atom_Stereo_Count	0
50631	Total_Formal_Charge	0
118705487	Hydrogen_Bond_Donor_Count	4
93563	TPSA	17.1
57183917	Non-hydrogen_Atom_Count	8
16249	TPSA	52.6
276224	Covalent_Unit_Count	1
24848920	Exact_Mass	303.19467705
45285	Rotatable_Bond_Count	11
12630477	Undefined_Atom_Stereo_Count	2
9815689	Total_Formal_Charge	0
46936572	XLogP3-AA	2
136219231	XLogP3-AA	5
129674572	Covalent_Unit_Count	1
45358001	Defined_Bond_Stereo_Count	0
145996610	Undefined_Atom_Stereo_Count	0
5359624	Hydrogen_Bond_Donor_Count	0
16139605	Molecular_Weight	3752.1
38627	Tautomer_Count	1
10937610	Hydrogen_Bond_Donor_Count	0
5242420	Undefined_Bond_Stereo_Count	0
68748	Covalent_Unit_Count	1
9131	Undefined_Bond_Stereo_Count	0
86112	Tautomer_Count	1
117762967	Non-hydrogen_Atom_Count	15
191101	Undefined_Atom_Stereo_Count	0
161929	Total_Formal_Charge	0
113	Hydrogen_Bond_Donor_Count	4
149434	Covalent_Unit_Count	1
4806	Undefined_Bond_Stereo_Count	0
76957520	Hydrogen_Bond_Donor_Count	3
58814044	Exact_Mass	96.068748264
25077993	Total_Formal_Charge	0
242722	Hydrogen_Bond_Donor_Count	0
688356	Defined_Atom_Stereo_Count	0
12541465	Rotatable_Bond_Count	2
59059060	Undefined_Bond_Stereo_Count	0
68713	Molecular_Weight	255.31
57031137	Non-hydrogen_Atom_Count	8
54057642	Non-hydrogen_Atom_Count	7
72155	Hydrogen_Bond_Donor_Count	0
115098	Defined_Atom_Stereo_Count	4
131668624	XLogP3-AA	2.7
13939	Structure_Complexity	87
134854766	Rotatable_Bond_Count	0
636345	Defined_Bond_Stereo_Count	0
12161	Mono_Isotopic_Weight	118.078250319
6474320	Total_Formal_Charge	0
443777	Mono_Isotopic_Weight	192.078644241
104769	Isotope_Atom_Count	0
121493082	Molecular_Weight	6435
92374	Structure_Complexity	189
23696271	Mono_Isotopic_Weight	222.99152313
11601	Non-hydrogen_Atom_Count	6
6332110	Hydrogen_Bond_Donor_Count	0
177084	Hydrogen_Bond_Acceptor_Count	1
5354042	Defined_Bond_Stereo_Count	3
6440511	Isotope_Atom_Count	0
24729360	Exact_Mass	358.1547017
18442762	Defined_Atom_Stereo_Count	0
53670643	TPSA	72.2
564666	Total_Formal_Charge	0
69294796	Isotope_Atom_Count	0
595230	Non-hydrogen_Atom_Count	12
12510709	Rotatable_Bond_Count	4
60803	Hydrogen_Bond_Acceptor_Count	5
2051	Mono_Isotopic_Weight	315.0774544
14195455	XLogP3-AA	0.3
637541	Isotope_Atom_Count	0
19100836	Covalent_Unit_Count	1
6266	Isotope_Atom_Count	0
444455	Covalent_Unit_Count	1
67417	Undefined_Atom_Stereo_Count	0
323	Non-hydrogen_Atom_Count	11
959353	Undefined_Atom_Stereo_Count	0
6921840	Defined_Atom_Stereo_Count	1
11955	Non-hydrogen_Atom_Count	10
10080333	Molecular_Weight	100.16
11061	TPSA	45.6
17317	Molecular_Weight	236.34
129858308	Mono_Isotopic_Weight	270.07529019
112039	Isotope_Atom_Count	0
73306	Undefined_Atom_Stereo_Count	0
22021903	TPSA	38.7
95093	Undefined_Bond_Stereo_Count	0
156588860	Rotatable_Bond_Count	9
24879665	Defined_Atom_Stereo_Count	8
81097	Undefined_Bond_Stereo_Count	0
240534	Rotatable_Bond_Count	4
65442	Defined_Bond_Stereo_Count	0
140945	Total_Formal_Charge	0
80603	Molecular_Weight	201.69
47267	Hydrogen_Bond_Donor_Count	0
22812306	Covalent_Unit_Count	1
5251857	Rotatable_Bond_Count	2
85238	Defined_Bond_Stereo_Count	0
71450115	Mono_Isotopic_Weight	583.16818
58265621	Hydrogen_Bond_Acceptor_Count	2
14724482	Structure_Complexity	2720
3082754	Undefined_Bond_Stereo_Count	0
823960	Covalent_Unit_Count	1
4888	TPSA	59.4
32597	Structure_Complexity	290
6999941	XLogP3-AA	2.2
11292	Total_Formal_Charge	0
123592678	Undefined_Atom_Stereo_Count	2
39764	Non-hydrogen_Atom_Count	41
441404	XLogP3	6.4
11298500	Mono_Isotopic_Weight	194.167065321
84151	Total_Formal_Charge	0
11804893	Hydrogen_Bond_Acceptor_Count	2
6918524	Molecular_Weight	269.73
11382	Rotatable_Bond_Count	3
18827	Total_Formal_Charge	0
54150248	TPSA	38.4
66793	Hydrogen_Bond_Acceptor_Count	4
164610	Isotope_Atom_Count	0
4391	Mono_Isotopic_Weight	260.08307817
12282	Exact_Mass	455.7369
118176200	XLogP3-AA	0.1
24764	Defined_Atom_Stereo_Count	0
765378	Structure_Complexity	154
135300	Structure_Complexity	0
10892838	Hydrogen_Bond_Acceptor_Count	2
3042	Undefined_Atom_Stereo_Count	0
90471068	Mono_Isotopic_Weight	376.20250208
594130	Defined_Bond_Stereo_Count	0
19101063	Defined_Atom_Stereo_Count	0
704	Undefined_Atom_Stereo_Count	7
138403272	Defined_Atom_Stereo_Count	18
10622871	Defined_Atom_Stereo_Count	1
36832	Defined_Atom_Stereo_Count	0
125134	Hydrogen_Bond_Acceptor_Count	4
44571150	Non-hydrogen_Atom_Count	31
16219464	Mono_Isotopic_Weight	527.23263824
17816433	Structure_Complexity	74.2
1823	Undefined_Atom_Stereo_Count	2
72014	XLogP3	0.9
91027156	Non-hydrogen_Atom_Count	8
5267	TPSA	85.7
5218	Exact_Mass	436.28248899
7654	Isotope_Atom_Count	0
23725019	Total_Formal_Charge	0
54184524	Hydrogen_Bond_Acceptor_Count	2
16665100	Rotatable_Bond_Count	11
87321867	Defined_Atom_Stereo_Count	0
45238	Undefined_Atom_Stereo_Count	2
53674114	Covalent_Unit_Count	1
159190124	Exact_Mass	1201.84136802
13587089	Hydrogen_Bond_Donor_Count	1
79497	Mono_Isotopic_Weight	176.120115130
6458	Rotatable_Bond_Count	3
11408688	Defined_Atom_Stereo_Count	0
86083878	Defined_Bond_Stereo_Count	0
2724505	Undefined_Atom_Stereo_Count	0
80507	Isotope_Atom_Count	0
88314418	Non-hydrogen_Atom_Count	29
28864	Tautomer_Count	4
12246933	Defined_Atom_Stereo_Count	0
18518868	Covalent_Unit_Count	2
45480375	Covalent_Unit_Count	1
9340	Molecular_Weight	286.8
84647594	Hydrogen_Bond_Donor_Count	1
133633	Molecular_Weight	340.8
23709629	Total_Formal_Charge	0
101836	Total_Formal_Charge	0
108157	Tautomer_Count	1
66824709	Undefined_Atom_Stereo_Count	0
24884361	Mono_Isotopic_Weight	184.219100893
5477635	Covalent_Unit_Count	1
67556876	Total_Formal_Charge	0
15083770	Isotope_Atom_Count	0
25150753	Molecular_Weight	356.4
735950	Defined_Atom_Stereo_Count	0
44152553	Hydrogen_Bond_Acceptor_Count	5
14563	TPSA	45.8
139147285	Hydrogen_Bond_Donor_Count	1
6425	Defined_Atom_Stereo_Count	0
87642	Molecular_Weight	767.5
1047	Rotatable_Bond_Count	1
267769	Hydrogen_Bond_Acceptor_Count	3
11865423	Rotatable_Bond_Count	11
7945	XLogP3-AA	1.7
118984411	Hydrogen_Bond_Donor_Count	1
4674	Structure_Complexity	243
132031748	Total_Formal_Charge	0
6016	Hydrogen_Bond_Acceptor_Count	2
70190	Covalent_Unit_Count	1
4431756	Hydrogen_Bond_Acceptor_Count	3
199758	TPSA	33.1
439846	Molecular_Weight	76.09
16073662	Non-hydrogen_Atom_Count	42
18851	Defined_Atom_Stereo_Count	0
56841556	Undefined_Atom_Stereo_Count	0
101621557	Total_Formal_Charge	0
8126	Hydrogen_Bond_Donor_Count	0
10991161	Undefined_Atom_Stereo_Count	0
705388	Rotatable_Bond_Count	3
22542	Molecular_Weight	272.23
8901	Defined_Atom_Stereo_Count	0
130026605	Covalent_Unit_Count	1
131839562	XLogP3-AA	3.4
34231	Exact_Mass	669.14421716
13235330	Defined_Bond_Stereo_Count	0
24875318	Undefined_Bond_Stereo_Count	0
151148	Tautomer_Count	4
398593	Undefined_Atom_Stereo_Count	0
154013151	Mono_Isotopic_Weight	116.047344113
1549098	Covalent_Unit_Count	1
132082520	Molecular_Weight	108.14
26934	Covalent_Unit_Count	1
6909	Covalent_Unit_Count	1
135618566	Covalent_Unit_Count	1
102724	Defined_Bond_Stereo_Count	0
1549026	Undefined_Bond_Stereo_Count	0
66588767	Molecular_Weight	582.6
70690618	XLogP3-AA	3.8
4365	Mono_Isotopic_Weight	324.11437830
445639	Defined_Atom_Stereo_Count	0
99129	Hydrogen_Bond_Donor_Count	0
235414	Undefined_Bond_Stereo_Count	0
578334	Undefined_Bond_Stereo_Count	0
65015	Undefined_Bond_Stereo_Count	0
6024	TPSA	167
2817	Structure_Complexity	165
71356656	Hydrogen_Bond_Acceptor_Count	1
135398638	Defined_Bond_Stereo_Count	0
16083167	Undefined_Bond_Stereo_Count	0
102601697	Undefined_Bond_Stereo_Count	0
81981	Covalent_Unit_Count	1
23649154	Isotope_Atom_Count	0
44123754	Exact_Mass	468.11987140
91769	Tautomer_Count	2
6620134	TPSA	94.8
12367598	Defined_Atom_Stereo_Count	0
20725980	Rotatable_Bond_Count	26
9810771	Non-hydrogen_Atom_Count	49
5464167	Structure_Complexity	27.1
11953887	Tautomer_Count	80
57327016	Hydrogen_Bond_Donor_Count	4
55472	Structure_Complexity	487
8018	Total_Formal_Charge	0
77720	Covalent_Unit_Count	1
96090	Mono_Isotopic_Weight	111.048427358
157736	Defined_Bond_Stereo_Count	0
87671146	Covalent_Unit_Count	1
90272	Non-hydrogen_Atom_Count	18
60196304	Undefined_Atom_Stereo_Count	2
954767	Rotatable_Bond_Count	4
5372720	Structure_Complexity	333
24855	Mono_Isotopic_Weight	261.81225
24180717	Undefined_Atom_Stereo_Count	0
70002683	Exact_Mass	98.036779430
70686822	TPSA	127
10138980	Undefined_Atom_Stereo_Count	0
9870652	Undefined_Atom_Stereo_Count	0
10113978	Undefined_Atom_Stereo_Count	0
145729	Mono_Isotopic_Weight	388.00728326
13059052	Mono_Isotopic_Weight	380.177630004
6323266	Hydrogen_Bond_Donor_Count	3
102533943	Hydrogen_Bond_Donor_Count	2
2336	Total_Formal_Charge	0
59050126	Hydrogen_Bond_Acceptor_Count	2
93738	Isotope_Atom_Count	0
8407	Undefined_Bond_Stereo_Count	0
64937	Defined_Atom_Stereo_Count	0
141281584	XLogP3-AA	1.7
5354280	Defined_Bond_Stereo_Count	1
909750	Rotatable_Bond_Count	4
108312	Molecular_Weight	178.27
54187438	TPSA	26
125651	Mono_Isotopic_Weight	235.132076794
155804760	Covalent_Unit_Count	1
43704	Molecular_Weight	295.29
580057	Total_Formal_Charge	0
7875	Defined_Bond_Stereo_Count	0
60688467	Defined_Atom_Stereo_Count	0
173058	Rotatable_Bond_Count	3
13474789	Defined_Bond_Stereo_Count	0
118797455	Undefined_Atom_Stereo_Count	6
11163893	Defined_Atom_Stereo_Count	0
15614042	Defined_Bond_Stereo_Count	0
10898649	Hydrogen_Bond_Acceptor_Count	2
69359	Rotatable_Bond_Count	2
126961192	Exact_Mass	678.07845408
6436449	Structure_Complexity	432
11254899	Undefined_Atom_Stereo_Count	0
148676572	Isotope_Atom_Count	0
431631	Tautomer_Count	1
54178371	Molecular_Weight	99.13
9970749	Total_Formal_Charge	0
122198135	Structure_Complexity	987
4607	Defined_Atom_Stereo_Count	0
3035235	Undefined_Bond_Stereo_Count	0
272714	Undefined_Atom_Stereo_Count	0
118578546	Defined_Atom_Stereo_Count	0
6387	XLogP3-AA	1.5
5935	Mono_Isotopic_Weight	191.003532
59336	Exact_Mass	366.19434270
23704143	Undefined_Atom_Stereo_Count	0
42754	Covalent_Unit_Count	1
453077	Total_Formal_Charge	0
11977	XLogP3-AA	0.6
164675904	TPSA	37.4
6992032	Hydrogen_Bond_Donor_Count	2
7093102	TPSA	9.2
3082127	XLogP3-AA	2.4
139612467	Molecular_Weight	100.12
24776140	Rotatable_Bond_Count	2
915014	Non-hydrogen_Atom_Count	26
71719268	Hydrogen_Bond_Donor_Count	2
100	Structure_Complexity	1240
3710788	Covalent_Unit_Count	1
46195832	XLogP3	0.4
19778718	Defined_Atom_Stereo_Count	0
24839622	TPSA	2440
90127780	Hydrogen_Bond_Acceptor_Count	1
135508048	Defined_Atom_Stereo_Count	0
11289	Rotatable_Bond_Count	6
75373	Tautomer_Count	1
225161	Undefined_Atom_Stereo_Count	0
23533306	Structure_Complexity	773
11198850	Structure_Complexity	523
521807	Undefined_Bond_Stereo_Count	0
91617	Molecular_Weight	534.5
13275541	Hydrogen_Bond_Donor_Count	1
163613625	Defined_Bond_Stereo_Count	0
129812304	XLogP3-AA	1.7
72978296	Undefined_Bond_Stereo_Count	0
12101	Exact_Mass	122.073164938
73072210	Mono_Isotopic_Weight	412.370516150
66764517	Undefined_Bond_Stereo_Count	0
2823078	Rotatable_Bond_Count	4
3650	Mono_Isotopic_Weight	148.02842019
5281718	Undefined_Bond_Stereo_Count	0
87279996	Defined_Bond_Stereo_Count	0
19002911	Undefined_Atom_Stereo_Count	0
135476770	Structure_Complexity	437
114751	Undefined_Atom_Stereo_Count	2
86965	Exact_Mass	165.078978594
9956127	XLogP3-AA	4.6
23349319	Molecular_Weight	116.11
53743621	Hydrogen_Bond_Acceptor_Count	2
16211233	Non-hydrogen_Atom_Count	12
12637622	Total_Formal_Charge	0
7463	Total_Formal_Charge	0
6435893	Hydrogen_Bond_Donor_Count	5
446308	Isotope_Atom_Count	0
57449500	Structure_Complexity	84.4
69663	Hydrogen_Bond_Acceptor_Count	2
57390700	TPSA	156
122174048	Defined_Bond_Stereo_Count	0
439243	Rotatable_Bond_Count	12
6554	Hydrogen_Bond_Acceptor_Count	0
54582799	Defined_Atom_Stereo_Count	0
31075	Mono_Isotopic_Weight	294.173213330
5078908	Defined_Atom_Stereo_Count	0
91742	Defined_Atom_Stereo_Count	0
923480	Structure_Complexity	352
133090	Covalent_Unit_Count	1
145521	Exact_Mass	80.062600255
15228410	Structure_Complexity	96.7
5148108	Rotatable_Bond_Count	9
15942892	Defined_Bond_Stereo_Count	0
15678	Hydrogen_Bond_Donor_Count	0
136059	Hydrogen_Bond_Donor_Count	0
134694392	Undefined_Atom_Stereo_Count	2
72070	Undefined_Bond_Stereo_Count	0
36689718	Covalent_Unit_Count	1
59015080	Structure_Complexity	382
10698	Covalent_Unit_Count	1
12472	Covalent_Unit_Count	1
259361	XLogP3-AA	1
547110	Isotope_Atom_Count	0
86298	Defined_Bond_Stereo_Count	0
10866310	Molecular_Weight	116.20
135900090	TPSA	220
6966	Total_Formal_Charge	0
9942725	Mono_Isotopic_Weight	232.10233402
10553	Molecular_Weight	70.13
67528035	Defined_Atom_Stereo_Count	0
22335779	Undefined_Atom_Stereo_Count	2
75921	Structure_Complexity	291
110862	Structure_Complexity	66.9
11765960	Structure_Complexity	1560
1176	Undefined_Bond_Stereo_Count	0
23164725	Undefined_Bond_Stereo_Count	0
53630039	Defined_Bond_Stereo_Count	0
99845	Covalent_Unit_Count	1
1551553	Undefined_Bond_Stereo_Count	0
71461541	Structure_Complexity	728
33820	Molecular_Weight	321.5
72521	Hydrogen_Bond_Donor_Count	3
33498	Hydrogen_Bond_Donor_Count	2
7774	Non-hydrogen_Atom_Count	16
71494926	Exact_Mass	844.32837076
4428	Hydrogen_Bond_Acceptor_Count	5
23567801	Molecular_Weight	112.17
91100506	Non-hydrogen_Atom_Count	7
130443288	Structure_Complexity	2330
90558	Hydrogen_Bond_Acceptor_Count	4
60712	Defined_Atom_Stereo_Count	0
156907991	Undefined_Bond_Stereo_Count	0
67375395	Non-hydrogen_Atom_Count	31
13066	Molecular_Weight	228.31
20587905	Defined_Atom_Stereo_Count	0
12271346	XLogP3-AA	1.3
12847948	Exact_Mass	111.079647300
10115	XLogP3-AA	11.5
10703	Total_Formal_Charge	0
140083	Hydrogen_Bond_Acceptor_Count	1
69336	Hydrogen_Bond_Acceptor_Count	3
96523	Undefined_Atom_Stereo_Count	0
134692058	Covalent_Unit_Count	1
2153	Structure_Complexity	267
5311055	Mono_Isotopic_Weight	364.26269704
4369502	Defined_Atom_Stereo_Count	1
85971419	Covalent_Unit_Count	1
93896	Structure_Complexity	219
10126081	Undefined_Atom_Stereo_Count	0
3372845	Hydrogen_Bond_Donor_Count	1
67406	Undefined_Atom_Stereo_Count	0
11194317	Rotatable_Bond_Count	3
53462828	Non-hydrogen_Atom_Count	47
6857664	Mono_Isotopic_Weight	42.009222013
46931005	Total_Formal_Charge	0
74904	Exact_Mass	166.099379685
12480891	TPSA	3.2
8907	Tautomer_Count	1
70696864	Mono_Isotopic_Weight	428.20730742
162715424	Covalent_Unit_Count	1
90993	Tautomer_Count	6
10043211	Total_Formal_Charge	0
57800	Molecular_Weight	408.3
13311642	Total_Formal_Charge	0
53943526	Rotatable_Bond_Count	0
2647	Exact_Mass	365.10454189
340	Mono_Isotopic_Weight	124.052429494
133967	Defined_Bond_Stereo_Count	0
52568	Total_Formal_Charge	0
130611	Molecular_Weight	232.19
524217	TPSA	9.2
136195727	Covalent_Unit_Count	1
28532	Hydrogen_Bond_Acceptor_Count	4
70662473	Rotatable_Bond_Count	16
177708	Covalent_Unit_Count	1
18641	XLogP3-AA	7.2
25126798	Molecular_Weight	306.4
642799	Undefined_Atom_Stereo_Count	0
70267665	Exact_Mass	98.048012819
91766	TPSA	67.4
643984	Rotatable_Bond_Count	3
17587	Undefined_Bond_Stereo_Count	0
71160	Molecular_Weight	258.35
637541	Molecular_Weight	164.16
3970	Covalent_Unit_Count	1
12643154	Isotope_Atom_Count	0
135565635	Hydrogen_Bond_Acceptor_Count	5
65667	Undefined_Bond_Stereo_Count	0
155649598	Covalent_Unit_Count	1
3956708	Covalent_Unit_Count	1
101906815	Structure_Complexity	5530
20190406	Structure_Complexity	94.5
9818919	Exact_Mass	331.06920175
6437648	Hydrogen_Bond_Acceptor_Count	2
12695798	Total_Formal_Charge	0
135409471	Defined_Bond_Stereo_Count	0
59146659	Hydrogen_Bond_Donor_Count	5
11514319	Molecular_Weight	249.26
236487	Defined_Atom_Stereo_Count	0
3001860	Defined_Bond_Stereo_Count	0
57392871	Rotatable_Bond_Count	6
6371716	Defined_Atom_Stereo_Count	0
9961192	Total_Formal_Charge	0
6919	Mono_Isotopic_Weight	112.016043985
11949646	Defined_Atom_Stereo_Count	6
5289347	Mono_Isotopic_Weight	632.26332572
3243927	XLogP3-AA	2.7
5284554	Exact_Mass	1059.74333626
98310	XLogP3-AA	4.6
11228773	Rotatable_Bond_Count	0
158797	Rotatable_Bond_Count	7
8663	Exact_Mass	144.057514874
671175	Hydrogen_Bond_Acceptor_Count	4
3000516	Mono_Isotopic_Weight	378.11668211
164167667	Molecular_Weight	113.11
398743	Hydrogen_Bond_Donor_Count	1
132274080	Undefined_Atom_Stereo_Count	10
712421	Structure_Complexity	153
68321900	Covalent_Unit_Count	1
84647594	Non-hydrogen_Atom_Count	6
42627755	Defined_Atom_Stereo_Count	0
498142	Covalent_Unit_Count	4
69903	Exact_Mass	207.08954328
138125	Hydrogen_Bond_Donor_Count	0
13708	Tautomer_Count	1
67233382	Exact_Mass	367.12560926
287350	Defined_Bond_Stereo_Count	0
10351656	Mono_Isotopic_Weight	100.100048391
156598696	Isotope_Atom_Count	0
26546	Non-hydrogen_Atom_Count	24
6995013	Rotatable_Bond_Count	6
66909	Hydrogen_Bond_Acceptor_Count	4
73958	Exact_Mass	110.073164938
24884488	Undefined_Bond_Stereo_Count	0
3083020	Rotatable_Bond_Count	0
135403802	Hydrogen_Bond_Donor_Count	4
6337614	Exact_Mass	296.188863393
58594768	Molecular_Weight	180.16
71455217	Molecular_Weight	526.5
68845	Rotatable_Bond_Count	5
53317121	Rotatable_Bond_Count	1
102182857	Mono_Isotopic_Weight	358.1926522
6328534	Isotope_Atom_Count	0
11672461	Defined_Atom_Stereo_Count	1
20011	Molecular_Weight	251.15
76583	Hydrogen_Bond_Donor_Count	0
18736933	Molecular_Weight	129.16
5281006	Total_Formal_Charge	0
2003	Hydrogen_Bond_Acceptor_Count	2
805985	Total_Formal_Charge	0
69849	Undefined_Atom_Stereo_Count	0
7419	TPSA	63.3
49789564	Defined_Atom_Stereo_Count	0
278580	Undefined_Atom_Stereo_Count	4
3889	Structure_Complexity	958
12040510	Defined_Bond_Stereo_Count	0
140638754	Hydrogen_Bond_Acceptor_Count	1
72200037	Exact_Mass	473.29795982
137240	Hydrogen_Bond_Donor_Count	0
146171122	Undefined_Bond_Stereo_Count	0
6093219	Rotatable_Bond_Count	9
334447	Molecular_Weight	227.30
101821629	Hydrogen_Bond_Donor_Count	0
80871	Covalent_Unit_Count	1
23668195	Rotatable_Bond_Count	0
19938785	Exact_Mass	112.088815002
18359433	Isotope_Atom_Count	0
8111	Isotope_Atom_Count	0
44419235	Defined_Bond_Stereo_Count	0
68535	TPSA	37.3
53315588	Covalent_Unit_Count	1
7846	Undefined_Bond_Stereo_Count	0
74348	Non-hydrogen_Atom_Count	9
71027	Molecular_Weight	208.25
163090690	Hydrogen_Bond_Donor_Count	4
88525	Hydrogen_Bond_Donor_Count	0
54697783	Defined_Atom_Stereo_Count	0
6041	Undefined_Atom_Stereo_Count	0
5318156	Hydrogen_Bond_Donor_Count	8
129446563	TPSA	60.7
5497143	Hydrogen_Bond_Acceptor_Count	22
15466	Tautomer_Count	4
8998	Mono_Isotopic_Weight	122.05790880
20056828	Hydrogen_Bond_Acceptor_Count	18
61098	Mono_Isotopic_Weight	210.161979940
23423585	Rotatable_Bond_Count	1
12648672	Molecular_Weight	102.13
72860	TPSA	9.2
12007564	Structure_Complexity	149
85026	Defined_Atom_Stereo_Count	0
10350317	Mono_Isotopic_Weight	785.59345564
28125489	Total_Formal_Charge	1
89811	Exact_Mass	107.073499291
9907847	Isotope_Atom_Count	0
3340152	Rotatable_Bond_Count	1
19859	Non-hydrogen_Atom_Count	9
551428	Non-hydrogen_Atom_Count	8
16217359	Isotope_Atom_Count	4
535856	TPSA	25.8
8160	Hydrogen_Bond_Acceptor_Count	3
44431182	TPSA	137
34328	TPSA	64.3
5317426	Undefined_Bond_Stereo_Count	0
55290041	Molecular_Weight	115.13
2132	Rotatable_Bond_Count	3
12102501	Defined_Atom_Stereo_Count	0
165649752	Isotope_Atom_Count	0
89359	Undefined_Atom_Stereo_Count	2
70695760	Undefined_Bond_Stereo_Count	0
56911	Rotatable_Bond_Count	1
135414248	Hydrogen_Bond_Acceptor_Count	5
129827902	Covalent_Unit_Count	8
155713	Total_Formal_Charge	0
138404353	Structure_Complexity	1700
129865974	Rotatable_Bond_Count	22
205953	Structure_Complexity	570
7026090	Molecular_Weight	110.11
138527	Exact_Mass	278.18819469
479930	Non-hydrogen_Atom_Count	31
6379	Covalent_Unit_Count	2
3290	Hydrogen_Bond_Acceptor_Count	3
13781092	Hydrogen_Bond_Acceptor_Count	6
44424639	Structure_Complexity	1690
33710	XLogP3-AA	15.771
54681902	Covalent_Unit_Count	1
475319	Isotope_Atom_Count	0
145705672	Exact_Mass	490.36582469
12870232	Defined_Bond_Stereo_Count	0
5360516	Covalent_Unit_Count	1
796857	Undefined_Bond_Stereo_Count	0
107669	Non-hydrogen_Atom_Count	14
447835	Isotope_Atom_Count	0
131876601	Hydrogen_Bond_Acceptor_Count	16
79633	Structure_Complexity	325
86751	Undefined_Bond_Stereo_Count	0
1480	Molecular_Weight	255.5
24020	Rotatable_Bond_Count	4
44280082	Undefined_Bond_Stereo_Count	0
123809	Hydrogen_Bond_Donor_Count	11
15789	Undefined_Bond_Stereo_Count	0
70846	Hydrogen_Bond_Donor_Count	0
64685	Non-hydrogen_Atom_Count	11
99930	Total_Formal_Charge	0
68948183	Hydrogen_Bond_Donor_Count	1
22352992	Non-hydrogen_Atom_Count	8
69558	Defined_Bond_Stereo_Count	0
36688207	TPSA	40.1
4100	Defined_Bond_Stereo_Count	0
38260	TPSA	192
819269	Hydrogen_Bond_Donor_Count	2
20485709	Undefined_Bond_Stereo_Count	0
3795	TPSA	76.5
5282182	Isotope_Atom_Count	0
90472770	Defined_Atom_Stereo_Count	4
22411865	Defined_Bond_Stereo_Count	0
156618034	Molecular_Weight	342.30
89886	Exact_Mass	572.13804064
56134	Defined_Atom_Stereo_Count	0
163263	Undefined_Bond_Stereo_Count	0
9984	Isotope_Atom_Count	0
42609799	Molecular_Weight	764.5
57336513	Structure_Complexity	2660
56955285	Isotope_Atom_Count	0
8691	Isotope_Atom_Count	0
6378383	Mono_Isotopic_Weight	357.209264485
31236	Isotope_Atom_Count	0
130149197	Mono_Isotopic_Weight	110.073164938
858	Covalent_Unit_Count	1
41	Isotope_Atom_Count	0
2401	TPSA	78.9
71541293	Defined_Atom_Stereo_Count	1
7047	Covalent_Unit_Count	1
11522448	Mono_Isotopic_Weight	310.1369878
410467	TPSA	32.3
9554198	Covalent_Unit_Count	1
6112114	Covalent_Unit_Count	1
21492261	Undefined_Bond_Stereo_Count	0
54084075	Undefined_Atom_Stereo_Count	0
521196	Defined_Atom_Stereo_Count	0
698716	Undefined_Atom_Stereo_Count	0
6837	Rotatable_Bond_Count	2
2051	Undefined_Bond_Stereo_Count	0
42509	Isotope_Atom_Count	0
71555	Defined_Atom_Stereo_Count	0
20202559	Isotope_Atom_Count	0
53275765	Hydrogen_Bond_Acceptor_Count	1
24848788	Undefined_Bond_Stereo_Count	0
688371	Mono_Isotopic_Weight	241.09502258
54443170	Mono_Isotopic_Weight	98.073164938
128229	TPSA	267
135398003	Hydrogen_Bond_Acceptor_Count	3
7405	Non-hydrogen_Atom_Count	9
5865	Tautomer_Count	27
9808	Undefined_Atom_Stereo_Count	0
15559658	Hydrogen_Bond_Acceptor_Count	1
13247016	Isotope_Atom_Count	0
45157475	Mono_Isotopic_Weight	585.24777486
56668950	Non-hydrogen_Atom_Count	38
9847836	Total_Formal_Charge	0
9576885	Covalent_Unit_Count	1
5281168	Tautomer_Count	1
104955	Tautomer_Count	1
24254	Rotatable_Bond_Count	3
7500	Total_Formal_Charge	0
23677832	Structure_Complexity	158
5283078	Defined_Atom_Stereo_Count	5
3032910	Structure_Complexity	469
24833843	Undefined_Bond_Stereo_Count	0
115739	Hydrogen_Bond_Acceptor_Count	3
11587639	Molecular_Weight	310.4
9832912	Covalent_Unit_Count	1
88045	Undefined_Bond_Stereo_Count	0
17997105	Non-hydrogen_Atom_Count	7
71731823	Defined_Bond_Stereo_Count	0
71343993	TPSA	52.8
6604757	Undefined_Atom_Stereo_Count	0
6453781	Covalent_Unit_Count	1
56841936	Non-hydrogen_Atom_Count	13
5486209	Exact_Mass	197.095297364
6607	Rotatable_Bond_Count	1
137347968	Defined_Bond_Stereo_Count	0
20949	Undefined_Bond_Stereo_Count	0
98650	Undefined_Atom_Stereo_Count	0
3036824	Structure_Complexity	1740
13424661	Hydrogen_Bond_Acceptor_Count	8
89422816	Structure_Complexity	67.4
70267	Exact_Mass	123.068413911
5746	Defined_Bond_Stereo_Count	0
630	Non-hydrogen_Atom_Count	13
20605239	Exact_Mass	85.052763847
74231	Hydrogen_Bond_Donor_Count	0
11356036	Hydrogen_Bond_Donor_Count	0
3719	Structure_Complexity	707
5353593	Defined_Bond_Stereo_Count	1
1728	Defined_Atom_Stereo_Count	0
90473076	Isotope_Atom_Count	1
23681059	Rotatable_Bond_Count	3
5281032	Undefined_Bond_Stereo_Count	0
58064	Defined_Atom_Stereo_Count	0
12	Defined_Bond_Stereo_Count	0
53965310	Isotope_Atom_Count	0
159809	Isotope_Atom_Count	0
53477781	Hydrogen_Bond_Donor_Count	3
23663979	Exact_Mass	371.09157152
139079484	Mono_Isotopic_Weight	617.991897
54758307	Molecular_Weight	458.6
57082085	Defined_Atom_Stereo_Count	0
67691	Exact_Mass	122.053178385
9115	Hydrogen_Bond_Donor_Count	0
18329111	XLogP3-AA	3.8
6328	Mono_Isotopic_Weight	141.92795
65944	Undefined_Bond_Stereo_Count	0
12184	Hydrogen_Bond_Donor_Count	1
6777	Non-hydrogen_Atom_Count	24
15202861	Rotatable_Bond_Count	1
398637	Isotope_Atom_Count	0
9871420	Undefined_Bond_Stereo_Count	0
4054	Total_Formal_Charge	0
12450	Covalent_Unit_Count	1
73759759	Exact_Mass	908.38775915
11863	TPSA	0
162883447	Defined_Bond_Stereo_Count	0
2199	Non-hydrogen_Atom_Count	19
91393578	Rotatable_Bond_Count	0
84148	XLogP3-AA	0.8
450503	Tautomer_Count	1
10772959	Hydrogen_Bond_Acceptor_Count	3
823887	Hydrogen_Bond_Acceptor_Count	2
250079	Undefined_Atom_Stereo_Count	2
66008	Structure_Complexity	274
56675795	Hydrogen_Bond_Acceptor_Count	7
22054419	TPSA	34.9
129627812	Total_Formal_Charge	0
142796	Covalent_Unit_Count	1
49865972	XLogP3-AA	3.6
46937007	Rotatable_Bond_Count	6
3388	Undefined_Atom_Stereo_Count	0
80790	Rotatable_Bond_Count	2
3364477	Mono_Isotopic_Weight	112.063662883
43858	Mono_Isotopic_Weight	116.120115130
85838693	Isotope_Atom_Count	0
60809	TPSA	66.5
123928307	Total_Formal_Charge	0
2551	Structure_Complexity	117
66169	Hydrogen_Bond_Acceptor_Count	2
57055230	Exact_Mass	103.063328530
15291	TPSA	39.2
538757	Non-hydrogen_Atom_Count	10
21343371	Molecular_Weight	84.12
14705467	Isotope_Atom_Count	0
108068	XLogP3-AA	2.3
97971	Mono_Isotopic_Weight	233.9850495
69337	Isotope_Atom_Count	0
70719	Molecular_Weight	109.13
65776	Hydrogen_Bond_Acceptor_Count	3
129826870	Isotope_Atom_Count	0
37983	Exact_Mass	191.131014166
9980241	Defined_Bond_Stereo_Count	0
55423	Defined_Bond_Stereo_Count	0
53323739	Isotope_Atom_Count	0
456389	XLogP3-AA	4.1
22505043	Mono_Isotopic_Weight	99.068413911
5978	XLogP3	2.8
11332423	Undefined_Bond_Stereo_Count	0
11040	Undefined_Atom_Stereo_Count	1
71306828	Hydrogen_Bond_Acceptor_Count	14
22406051	Undefined_Atom_Stereo_Count	2
60196362	Molecular_Weight	531.6
4053	Structure_Complexity	265
185915	Undefined_Bond_Stereo_Count	0
40549	Undefined_Bond_Stereo_Count	0
72924	Covalent_Unit_Count	1
49750	Isotope_Atom_Count	0
16095274	Hydrogen_Bond_Acceptor_Count	3
54316980	Total_Formal_Charge	0
31473	Defined_Bond_Stereo_Count	0
59066	Undefined_Bond_Stereo_Count	0
76335	Hydrogen_Bond_Donor_Count	0
51030896	Defined_Atom_Stereo_Count	1
66487	Covalent_Unit_Count	1
11366953	Hydrogen_Bond_Acceptor_Count	0
45878	Tautomer_Count	1
71012	Isotope_Atom_Count	0
9963430	Defined_Bond_Stereo_Count	0
14842942	Defined_Bond_Stereo_Count	0
5282547	Undefined_Bond_Stereo_Count	0
1016	Defined_Bond_Stereo_Count	0
13814	Rotatable_Bond_Count	5
44442053	Hydrogen_Bond_Donor_Count	2
12001	Exact_Mass	132.05349212
65595	Hydrogen_Bond_Donor_Count	1
23305495	Mono_Isotopic_Weight	665.30474055
5438	Mono_Isotopic_Weight	178.04389344
7053	Defined_Atom_Stereo_Count	0
12200971	Mono_Isotopic_Weight	117.078978594
390	Tautomer_Count	3
90472762	Isotope_Atom_Count	2
24191118	Exact_Mass	296.939948
18205	Covalent_Unit_Count	2
12318317	Non-hydrogen_Atom_Count	10
2554	TPSA	46.3
135448133	Undefined_Atom_Stereo_Count	9
86453	Molecular_Weight	429.8
520383	Mono_Isotopic_Weight	204.187800766
5283339	Hydrogen_Bond_Acceptor_Count	1
80695	Non-hydrogen_Atom_Count	31
3824520	Non-hydrogen_Atom_Count	8
3082780	TPSA	32.3
43226	Covalent_Unit_Count	1
3532561	Non-hydrogen_Atom_Count	6
91394869	Hydrogen_Bond_Acceptor_Count	2
152274	Undefined_Bond_Stereo_Count	0
537505	Rotatable_Bond_Count	1
136142	Covalent_Unit_Count	1
85301	XLogP3	1.4
18673160	Defined_Bond_Stereo_Count	0
15394	Defined_Bond_Stereo_Count	0
9548659	Undefined_Atom_Stereo_Count	0
69340938	Defined_Atom_Stereo_Count	0
417575	Exact_Mass	100.052429494
16312	Hydrogen_Bond_Donor_Count	0
118610865	Total_Formal_Charge	0
89453139	Non-hydrogen_Atom_Count	8
5284402	Defined_Atom_Stereo_Count	0
2763	Exact_Mass	288.0319997
1672	Undefined_Bond_Stereo_Count	0
219093	Exact_Mass	353.0367680
66828839	Total_Formal_Charge	0
18984521	Hydrogen_Bond_Donor_Count	1
5364448	Defined_Atom_Stereo_Count	0
9926054	TPSA	68.2
54069261	Molecular_Weight	116.07
127441	TPSA	52.5
10346039	Exact_Mass	504.1462019
3081907	Non-hydrogen_Atom_Count	73
12285879	TPSA	110
38989055	Rotatable_Bond_Count	6
68849	Mono_Isotopic_Weight	297.19400834
6273	Rotatable_Bond_Count	4
101181995	XLogP3-AA	6.2
44565819	Hydrogen_Bond_Donor_Count	3
7890	Hydrogen_Bond_Acceptor_Count	0
444346	XLogP3-AA	0.6
59712821	Hydrogen_Bond_Donor_Count	0
3037070	Undefined_Atom_Stereo_Count	0
23714994	Total_Formal_Charge	0
2723755	Non-hydrogen_Atom_Count	6
134694638	Covalent_Unit_Count	1
15673	Defined_Atom_Stereo_Count	0
85854	Structure_Complexity	37.1
43082	Molecular_Weight	357.9
146395	Rotatable_Bond_Count	8
17801140	Undefined_Bond_Stereo_Count	0
59704100	Undefined_Atom_Stereo_Count	2
445694	Exact_Mass	164.094963011
94412	XLogP3-AA	5.6
12936730	Isotope_Atom_Count	0
292103	Structure_Complexity	56
3400	Hydrogen_Bond_Donor_Count	0
14443	Hydrogen_Bond_Acceptor_Count	6
23657846	Isotope_Atom_Count	0
55286809	Hydrogen_Bond_Acceptor_Count	2
712421	TPSA	63.3
9953	TPSA	83.6
12699188	Exact_Mass	100.100048391
140334	Total_Formal_Charge	0
75828	TPSA	17.1
86222	Mono_Isotopic_Weight	411.0364312
59680984	Hydrogen_Bond_Acceptor_Count	1
192627	TPSA	76.4
15982151	Mono_Isotopic_Weight	467.21686904
72614909	Mono_Isotopic_Weight	96.068748264
41539	Non-hydrogen_Atom_Count	12
5111791	Mono_Isotopic_Weight	153.053826475
17460	Rotatable_Bond_Count	7
68012	Defined_Atom_Stereo_Count	0
440121	Undefined_Bond_Stereo_Count	0
29971	Exact_Mass	102.079312947
183679	Non-hydrogen_Atom_Count	20
10964588	Hydrogen_Bond_Donor_Count	0
213040	Undefined_Atom_Stereo_Count	1
34192	Covalent_Unit_Count	1
10486803	Isotope_Atom_Count	0
6538998	Rotatable_Bond_Count	10
11040	Rotatable_Bond_Count	2
9945927	Exact_Mass	341.11756954
105035	Hydrogen_Bond_Acceptor_Count	3
6918289	Defined_Atom_Stereo_Count	15
96291	Exact_Mass	158.167065321
12754	Hydrogen_Bond_Donor_Count	0
2215	Undefined_Bond_Stereo_Count	0
12211561	Isotope_Atom_Count	0
16212746	Molecular_Weight	344.40
14597941	Hydrogen_Bond_Acceptor_Count	2
70128954	Defined_Atom_Stereo_Count	0
101598717	Defined_Bond_Stereo_Count	0
1641	Isotope_Atom_Count	0
642344	Hydrogen_Bond_Acceptor_Count	2
26089	Mono_Isotopic_Weight	179.849305
440274	Undefined_Atom_Stereo_Count	0
86160	Mono_Isotopic_Weight	297.266779359
80530	Defined_Bond_Stereo_Count	0
118701038	Structure_Complexity	481
23667548	Defined_Bond_Stereo_Count	0
26975	Exact_Mass	164.120115130
39971	Covalent_Unit_Count	1
447030	Undefined_Bond_Stereo_Count	0
69333796	Isotope_Atom_Count	0
70702001	Isotope_Atom_Count	0
3786	Molecular_Weight	233.29
9571044	Hydrogen_Bond_Donor_Count	1
123385940	Undefined_Atom_Stereo_Count	4
6420019	Non-hydrogen_Atom_Count	21
12576155	Isotope_Atom_Count	0
194647	Mono_Isotopic_Weight	495.16014201
53434235	Defined_Atom_Stereo_Count	0
11194160	Covalent_Unit_Count	1
449424	Rotatable_Bond_Count	7
453326	Undefined_Atom_Stereo_Count	0
3058751	TPSA	35.2
25227436	Hydrogen_Bond_Acceptor_Count	6
5736	Defined_Atom_Stereo_Count	0
138059664	Isotope_Atom_Count	0
3566770	Defined_Bond_Stereo_Count	0
60196293	Total_Formal_Charge	0
4409	Undefined_Bond_Stereo_Count	0
136219155	Undefined_Bond_Stereo_Count	0
146159501	Undefined_Bond_Stereo_Count	1
71449750	Defined_Bond_Stereo_Count	0
67374621	Undefined_Atom_Stereo_Count	0
129630422	Structure_Complexity	1410
64738	Non-hydrogen_Atom_Count	21
11676981	Molecular_Weight	461.4
64510	Defined_Bond_Stereo_Count	0
13076	Mono_Isotopic_Weight	206.109550447
28689	Covalent_Unit_Count	1
19549	TPSA	38.3
71429293	Molecular_Weight	100.16
51039095	Mono_Isotopic_Weight	463.25833993
90931176	Defined_Atom_Stereo_Count	0
118511060	Defined_Bond_Stereo_Count	0
69393	Total_Formal_Charge	0
11954316	Molecular_Weight	766.3
2898	Undefined_Atom_Stereo_Count	0
88867195	Non-hydrogen_Atom_Count	8
221	Hydrogen_Bond_Acceptor_Count	8
18766735	Isotope_Atom_Count	0
58550573	Undefined_Atom_Stereo_Count	0
9866250	Isotope_Atom_Count	0
8173	Isotope_Atom_Count	0
12372	Molecular_Weight	111.18
145994360	Undefined_Atom_Stereo_Count	0
129859073	XLogP3-AA	2.9
86278347	Structure_Complexity	535
585174	TPSA	37.3
439155	Defined_Atom_Stereo_Count	5
10329254	Exact_Mass	100.088815002
5440	Structure_Complexity	455
18596	Hydrogen_Bond_Donor_Count	0
4412	Hydrogen_Bond_Acceptor_Count	21
10090285	Covalent_Unit_Count	1
3957	Rotatable_Bond_Count	2
70151	Rotatable_Bond_Count	2
5717801	Defined_Atom_Stereo_Count	0
39953	Rotatable_Bond_Count	3
320760	Exact_Mass	972.31694049
9746	Undefined_Atom_Stereo_Count	0
10632854	Exact_Mass	223.063328530
111206	Undefined_Bond_Stereo_Count	1
518996	Defined_Bond_Stereo_Count	0
7528	Hydrogen_Bond_Donor_Count	1
86691500	TPSA	47.6
9549326	Hydrogen_Bond_Acceptor_Count	22
450840	Molecular_Weight	302.35
53315137	Hydrogen_Bond_Acceptor_Count	8
6445562	Isotope_Atom_Count	0
43536	Non-hydrogen_Atom_Count	26
15174590	Non-hydrogen_Atom_Count	8
33311	Non-hydrogen_Atom_Count	21
68110	Structure_Complexity	165
9801	Mono_Isotopic_Weight	329.214349865
15394	Isotope_Atom_Count	0
69342090	Exact_Mass	108.032362755
11412346	Exact_Mass	97.089149355
77763	Defined_Bond_Stereo_Count	0
21864427	Hydrogen_Bond_Donor_Count	21
52949465	Rotatable_Bond_Count	8
5364553	Molecular_Weight	294.6
71306415	Hydrogen_Bond_Donor_Count	5
77456	Hydrogen_Bond_Donor_Count	0
7410	XLogP3	1.6
10796722	Molecular_Weight	114.19
23464986	Total_Formal_Charge	0
6420013	Mono_Isotopic_Weight	343.1550360
93544	Covalent_Unit_Count	1
52942848	Total_Formal_Charge	0
8515	Isotope_Atom_Count	0
5281616	Total_Formal_Charge	0
34676239	Rotatable_Bond_Count	5
63610	XLogP3-AA	4.8
77	Covalent_Unit_Count	1
5317112	Structure_Complexity	457
156599244	Undefined_Bond_Stereo_Count	1
11385	Total_Formal_Charge	0
34982	Hydrogen_Bond_Donor_Count	1
37901	Structure_Complexity	520
139782102	Hydrogen_Bond_Donor_Count	1
9849616	Hydrogen_Bond_Acceptor_Count	3
135394876	Isotope_Atom_Count	0
21642823	Undefined_Bond_Stereo_Count	0
164513759	Hydrogen_Bond_Acceptor_Count	3
134436906	Structure_Complexity	885
6410758	Total_Formal_Charge	0
799432	Molecular_Weight	283.77
445070	Hydrogen_Bond_Acceptor_Count	1
439215	Exact_Mass	194.04265265
628999	Undefined_Bond_Stereo_Count	0
6559236	Rotatable_Bond_Count	3
5470	Defined_Atom_Stereo_Count	0
12230	Undefined_Atom_Stereo_Count	0
236566	Total_Formal_Charge	0
22340	Structure_Complexity	39.2
44571221	Defined_Bond_Stereo_Count	0
268370	Molecular_Weight	324.4
18546557	Hydrogen_Bond_Acceptor_Count	4
2764838	Rotatable_Bond_Count	1
16760374	Isotope_Atom_Count	0
57773	Hydrogen_Bond_Acceptor_Count	3
24848330	Molecular_Weight	329.4
5282761	Defined_Bond_Stereo_Count	1
23103323	Isotope_Atom_Count	0
22779	Isotope_Atom_Count	0
42985	Hydrogen_Bond_Acceptor_Count	6
21698825	Defined_Atom_Stereo_Count	0
58373	Mono_Isotopic_Weight	265.110278721
59814883	Undefined_Atom_Stereo_Count	0
23131983	Molecular_Weight	113.16
135465818	Undefined_Atom_Stereo_Count	0
118087148	Undefined_Atom_Stereo_Count	2
539077	Total_Formal_Charge	0
46244259	Hydrogen_Bond_Acceptor_Count	7
14794988	XLogP3-AA	0.8
88358812	Isotope_Atom_Count	0
961	Tautomer_Count	1
31364	Hydrogen_Bond_Acceptor_Count	4
74190	Hydrogen_Bond_Acceptor_Count	4
166450901	Defined_Atom_Stereo_Count	4
73441	Tautomer_Count	10
65552	XLogP3-AA	5.2
10774305	Covalent_Unit_Count	1
5342002	Mono_Isotopic_Weight	285.0920418
8289	Total_Formal_Charge	0
151170	Defined_Atom_Stereo_Count	0
54428	Molecular_Weight	360.9
637552	Total_Formal_Charge	0
23234	Defined_Atom_Stereo_Count	0
107377	Rotatable_Bond_Count	8
15858955	Defined_Bond_Stereo_Count	1
68958	Hydrogen_Bond_Acceptor_Count	3
21145806	Total_Formal_Charge	0
66369	Non-hydrogen_Atom_Count	3
2764838	Undefined_Bond_Stereo_Count	0
19705594	Defined_Atom_Stereo_Count	0
36688155	TPSA	162
22476544	Mono_Isotopic_Weight	101.047678466
4342	Defined_Bond_Stereo_Count	0
76969110	Non-hydrogen_Atom_Count	81
17719	Covalent_Unit_Count	1
25050	Defined_Bond_Stereo_Count	0
21669	Rotatable_Bond_Count	3
821327	Undefined_Atom_Stereo_Count	0
79242	Mono_Isotopic_Weight	166.074227566
24892842	Molecular_Weight	339.5
64218	Structure_Complexity	387
135455401	Molecular_Weight	156.95
12069	Molecular_Weight	211.13
129653419	Defined_Bond_Stereo_Count	0
12231139	XLogP3-AA	1.2
99147	Hydrogen_Bond_Acceptor_Count	2
969472	Undefined_Atom_Stereo_Count	0
107720	TPSA	107
55752	Covalent_Unit_Count	1
117717938	Defined_Bond_Stereo_Count	0
59296114	Exact_Mass	480.1131242
11539562	Structure_Complexity	722
1057	Exact_Mass	126.031694049
8648	Undefined_Atom_Stereo_Count	2
6476	Total_Formal_Charge	0
15657508	Undefined_Bond_Stereo_Count	0
44571105	Isotope_Atom_Count	0
6259976	Tautomer_Count	3
2837669	Structure_Complexity	261
13159184	Defined_Bond_Stereo_Count	0
5288527	Total_Formal_Charge	0
165675	Covalent_Unit_Count	1
423792	Structure_Complexity	479
10026	XLogP3-AA	1.8
57174031	Covalent_Unit_Count	1
89125265	Structure_Complexity	153
181978	Exact_Mass	378.13734088
12786810	Rotatable_Bond_Count	2
1721	Hydrogen_Bond_Donor_Count	6
21677822	XLogP3-AA	2.7
445212	Exact_Mass	252.11100700
7807	Defined_Atom_Stereo_Count	0
66117	Defined_Bond_Stereo_Count	0
63198	Non-hydrogen_Atom_Count	19
30885	Hydrogen_Bond_Acceptor_Count	4
11651149	Molecular_Weight	71.12
219104	TPSA	79.3
68714	Isotope_Atom_Count	0
11124	Structure_Complexity	49.5
129872	Undefined_Bond_Stereo_Count	0
8351	Molecular_Weight	173.25
86916	Hydrogen_Bond_Acceptor_Count	3
13049377	Exact_Mass	114.068079557
6096880	Defined_Bond_Stereo_Count	0
694358	Mono_Isotopic_Weight	320.0208685
93680	TPSA	98.7
42337	Isotope_Atom_Count	0
19073515	Undefined_Bond_Stereo_Count	0
448133	Hydrogen_Bond_Donor_Count	4
21932803	Defined_Bond_Stereo_Count	0
20387216	Non-hydrogen_Atom_Count	8
36921	Rotatable_Bond_Count	5
49789564	Mono_Isotopic_Weight	298.12521776
135	Tautomer_Count	8
21711104	Structure_Complexity	92.4
15133	Hydrogen_Bond_Donor_Count	2
6438877	Undefined_Bond_Stereo_Count	0
23688957	Hydrogen_Bond_Donor_Count	1
72725	Molecular_Weight	212.20
57392503	Hydrogen_Bond_Donor_Count	3
77520435	Exact_Mass	358.19836
517313	Total_Formal_Charge	0
16218644	Defined_Atom_Stereo_Count	0
60184	Molecular_Weight	368.5
44540469	XLogP3-AA	4.6
10134310	Exact_Mass	379.12019195
5504	Undefined_Atom_Stereo_Count	0
15279	Molecular_Weight	207.23
64107	Isotope_Atom_Count	0
63944	XLogP3-AA	7.3
10131269	Defined_Bond_Stereo_Count	0
10820486	Structure_Complexity	177
6590	Covalent_Unit_Count	1
53143	Hydrogen_Bond_Donor_Count	2
23730858	Undefined_Bond_Stereo_Count	0
3080825	Defined_Bond_Stereo_Count	0
12546246	Rotatable_Bond_Count	1
71484	Rotatable_Bond_Count	6
11288	Structure_Complexity	275
91677	Molecular_Weight	312.11
3314	XLogP3	2
400	Hydrogen_Bond_Donor_Count	1
88239551	Total_Formal_Charge	0
115089	Total_Formal_Charge	0
21158442	Structure_Complexity	688
13760528	Molecular_Weight	112.17
5311108	Undefined_Atom_Stereo_Count	0
9864348	Defined_Bond_Stereo_Count	0
62705689	Undefined_Bond_Stereo_Count	0
688020	TPSA	20.3
22132384	Total_Formal_Charge	0
71833	Total_Formal_Charge	0
610682	Hydrogen_Bond_Donor_Count	1
64718	TPSA	104
3831985	Molecular_Weight	440.6
14402033	Rotatable_Bond_Count	1
71453775	Isotope_Atom_Count	0
6992028	Molecular_Weight	416.5
17549	Isotope_Atom_Count	0
550179	Exact_Mass	250.98639865
3480590	Exact_Mass	252.06338810
6539020	Undefined_Atom_Stereo_Count	0
8114	Defined_Atom_Stereo_Count	0
65784	Hydrogen_Bond_Acceptor_Count	4
101399329	Molecular_Weight	112.13
71515	Exact_Mass	176.143924578
156963715	Hydrogen_Bond_Donor_Count	8
8718	Isotope_Atom_Count	0
6326996	Defined_Bond_Stereo_Count	0
9828626	Total_Formal_Charge	0
15983549	Exact_Mass	454.22162007
11010340	TPSA	63.6
738952	Covalent_Unit_Count	1
6917976	Hydrogen_Bond_Acceptor_Count	22
5755	Hydrogen_Bond_Donor_Count	3
19013934	Defined_Atom_Stereo_Count	0
9841075	Isotope_Atom_Count	0
9210	Covalent_Unit_Count	1
31923	Molecular_Weight	341.5
13684981	Defined_Bond_Stereo_Count	0
220878	Isotope_Atom_Count	0
9576412	Isotope_Atom_Count	0
101978361	Undefined_Bond_Stereo_Count	0
55250378	Rotatable_Bond_Count	0
25058173	Total_Formal_Charge	0
29696	Hydrogen_Bond_Acceptor_Count	3
10660	TPSA	81.8
19077486	Undefined_Bond_Stereo_Count	0
10715582	Total_Formal_Charge	0
11248738	Structure_Complexity	870
71312335	Rotatable_Bond_Count	11
129009859	TPSA	145
53678373	Covalent_Unit_Count	1
91133104	Defined_Atom_Stereo_Count	0
16678045	TPSA	112
446378	Hydrogen_Bond_Donor_Count	2
79964	Covalent_Unit_Count	1
56944144	TPSA	77
1211493	Covalent_Unit_Count	1
7720	Structure_Complexity	52.5
47965	Isotope_Atom_Count	0
67510	Mono_Isotopic_Weight	82.078250319
2310	Mono_Isotopic_Weight	155.094628657
5281884	Defined_Bond_Stereo_Count	1
1712094	Undefined_Bond_Stereo_Count	0
11105356	Undefined_Atom_Stereo_Count	0
17819	Covalent_Unit_Count	1
3059	Defined_Bond_Stereo_Count	0
90921336	Undefined_Atom_Stereo_Count	1
60740	TPSA	37.3
75530316	Molecular_Weight	511.6
7180	XLogP3	3.6
14511	Exact_Mass	110.073164938
13590	Non-hydrogen_Atom_Count	7
12632903	Isotope_Atom_Count	0
123755	Hydrogen_Bond_Donor_Count	3
67482131	Non-hydrogen_Atom_Count	28
119432	Hydrogen_Bond_Acceptor_Count	1
123888456	Defined_Atom_Stereo_Count	0
86134	Hydrogen_Bond_Acceptor_Count	6
118379	Defined_Atom_Stereo_Count	0
8223	TPSA	118
413538	Isotope_Atom_Count	0
80972	Covalent_Unit_Count	1
5354486	Hydrogen_Bond_Donor_Count	2
70636	XLogP3	2.7
9920369	Molecular_Weight	97.12
134694117	Undefined_Atom_Stereo_Count	1
129600762	Undefined_Atom_Stereo_Count	0
99295	Tautomer_Count	1
23669619	Hydrogen_Bond_Acceptor_Count	2
15313	Molecular_Weight	185.06
33793	Molecular_Weight	386.80
15559311	Isotope_Atom_Count	0
6432236	Defined_Atom_Stereo_Count	0
60196367	Non-hydrogen_Atom_Count	31
76196	Molecular_Weight	238.3
66561	Hydrogen_Bond_Donor_Count	1
1260	Non-hydrogen_Atom_Count	28
1201546	Undefined_Bond_Stereo_Count	0
165495	Undefined_Bond_Stereo_Count	0
5365910	Defined_Atom_Stereo_Count	0
76319	Undefined_Bond_Stereo_Count	0
546996	Structure_Complexity	64.6
23283001	Structure_Complexity	124
12229743	TPSA	38
11055399	Undefined_Bond_Stereo_Count	0
69335094	Molecular_Weight	115.09
5352624	Undefined_Atom_Stereo_Count	0
12004418	Exact_Mass	293.12766012
12244	Undefined_Bond_Stereo_Count	0
44563146	Mono_Isotopic_Weight	372.15101554
1488	Covalent_Unit_Count	1
67296	Hydrogen_Bond_Donor_Count	1
54582799	Structure_Complexity	267
5713	XLogP3-AA	5.2
10214	Defined_Bond_Stereo_Count	0
6918025	Defined_Atom_Stereo_Count	8
683214	Exact_Mass	315.12190603
104143	Undefined_Bond_Stereo_Count	0
5311221	Non-hydrogen_Atom_Count	31
164946845	Hydrogen_Bond_Acceptor_Count	19
2742181	Defined_Atom_Stereo_Count	0
133109198	Structure_Complexity	1150
9964	Defined_Atom_Stereo_Count	0
14707	Tautomer_Count	3
22505043	Defined_Atom_Stereo_Count	0
6871	Molecular_Weight	216.23
521381	Molecular_Weight	360.4
6387197	Non-hydrogen_Atom_Count	2
37542	Structure_Complexity	304
227801	Molecular_Weight	224.30
12502855	Total_Formal_Charge	0
18730044	Hydrogen_Bond_Acceptor_Count	0
135403803	Hydrogen_Bond_Donor_Count	3
18506440	Rotatable_Bond_Count	3
18506437	Defined_Atom_Stereo_Count	0
20525471	Exact_Mass	96.043596145
21866494	Exact_Mass	101.047678466
2884	Structure_Complexity	1930
8594	Defined_Bond_Stereo_Count	0
141363	Hydrogen_Bond_Donor_Count	0
10972974	Undefined_Bond_Stereo_Count	0
5053	Isotope_Atom_Count	0
6537503	XLogP3-AA	0.8
446201	Molecular_Weight	677.8
52914006	Hydrogen_Bond_Donor_Count	2
441245	Total_Formal_Charge	0
550814	Mono_Isotopic_Weight	116.083729621
6918284	Structure_Complexity	2080
5727	Molecular_Weight	136.3
31863	Hydrogen_Bond_Acceptor_Count	25
15953	Total_Formal_Charge	0
23670774	Undefined_Bond_Stereo_Count	0
102348331	Hydrogen_Bond_Acceptor_Count	2
63982	Isotope_Atom_Count	0
181138	Exact_Mass	186.115698455
49827815	Mono_Isotopic_Weight	505.31920885
42586	TPSA	55.8
1043	Exact_Mass	132.043596145
121719	Tautomer_Count	2
41478	Tautomer_Count	1
5372405	Molecular_Weight	281.31
119025724	Exact_Mass	909.93464
74098	Total_Formal_Charge	0
9371	Defined_Bond_Stereo_Count	0
97617	Defined_Bond_Stereo_Count	0
49862689	Isotope_Atom_Count	0
10766	Undefined_Atom_Stereo_Count	1
107971	Rotatable_Bond_Count	4
6872	Mono_Isotopic_Weight	213.078978594
24360	Total_Formal_Charge	0
11611218	Molecular_Weight	409.3
87140770	Exact_Mass	117.042593085
16204478	Hydrogen_Bond_Acceptor_Count	5
714	Undefined_Atom_Stereo_Count	5
3792	Covalent_Unit_Count	1
23462	Undefined_Bond_Stereo_Count	0
4630	XLogP3-AA	0.4
149519	Mono_Isotopic_Weight	348.19501140
66251	Covalent_Unit_Count	2
20497487	Non-hydrogen_Atom_Count	7
17814354	Covalent_Unit_Count	1
69845	Molecular_Weight	151.19
156616838	Rotatable_Bond_Count	4
53931	Molecular_Weight	277.19
50938	Molecular_Weight	257.37
2416	Covalent_Unit_Count	1
5352461	Hydrogen_Bond_Acceptor_Count	2
853863	Total_Formal_Charge	0
11510567	Total_Formal_Charge	0
165437289	Defined_Bond_Stereo_Count	2
7808	Hydrogen_Bond_Donor_Count	1
13932051	Molecular_Weight	128.17
14505	Non-hydrogen_Atom_Count	8
2724032	Undefined_Atom_Stereo_Count	1
56949966	Isotope_Atom_Count	0
101120059	Hydrogen_Bond_Donor_Count	0
63546	Total_Formal_Charge	0
14337	Total_Formal_Charge	0
30819	Total_Formal_Charge	0
5289613	Tautomer_Count	6
4114	Rotatable_Bond_Count	1
3279	Defined_Bond_Stereo_Count	0
156417	Total_Formal_Charge	0
13927605	Non-hydrogen_Atom_Count	6
5327073	Structure_Complexity	575
23282891	Structure_Complexity	298
93147	Undefined_Atom_Stereo_Count	0
5359563	Rotatable_Bond_Count	3
91400094	Hydrogen_Bond_Acceptor_Count	3
12939	Exact_Mass	348.24129289
61511	Hydrogen_Bond_Donor_Count	0
2733939	Non-hydrogen_Atom_Count	25
21876618	Hydrogen_Bond_Acceptor_Count	2
126969054	Covalent_Unit_Count	1
21863610	Defined_Atom_Stereo_Count	0
68682560	Undefined_Atom_Stereo_Count	0
18944758	Defined_Bond_Stereo_Count	0
18353888	Mono_Isotopic_Weight	350.16891579
71449750	Isotope_Atom_Count	0
137348324	Total_Formal_Charge	0
7839	Rotatable_Bond_Count	1
2766	Undefined_Bond_Stereo_Count	1
22615	Isotope_Atom_Count	0
5280707	Defined_Bond_Stereo_Count	1
66117	Structure_Complexity	142
11656753	Defined_Atom_Stereo_Count	0
133613144	Hydrogen_Bond_Donor_Count	3
755373	Hydrogen_Bond_Acceptor_Count	8
137644	Total_Formal_Charge	0
7585	XLogP3-AA	4.8
16227342	Exact_Mass	109.027611728
4458	Hydrogen_Bond_Donor_Count	1
5287	Undefined_Bond_Stereo_Count	5
68321947	Undefined_Atom_Stereo_Count	1
6145	Isotope_Atom_Count	0
138393806	Covalent_Unit_Count	1
298391	Defined_Bond_Stereo_Count	0
61585	Undefined_Atom_Stereo_Count	0
6473876	Molecular_Weight	1202.6
136355	Structure_Complexity	58.3
138112	Undefined_Atom_Stereo_Count	0
123650722	Structure_Complexity	1220
11415	Covalent_Unit_Count	1
141427445	Isotope_Atom_Count	0
91770	Non-hydrogen_Atom_Count	20
6621	Undefined_Atom_Stereo_Count	0
69763756	Defined_Bond_Stereo_Count	0
15257	Defined_Atom_Stereo_Count	0
21161643	Defined_Bond_Stereo_Count	0
1629	Molecular_Weight	217.12
23672302	Total_Formal_Charge	0
408793	Undefined_Atom_Stereo_Count	0
146680	Structure_Complexity	753
11189402	Isotope_Atom_Count	0
6451143	TPSA	131
91754428	Undefined_Atom_Stereo_Count	1
1548886	Defined_Atom_Stereo_Count	0
23533832	Isotope_Atom_Count	0
616573	Non-hydrogen_Atom_Count	18
45358438	XLogP3-AA	3.2
133914	Structure_Complexity	589
8259	Hydrogen_Bond_Acceptor_Count	1
12295391	Rotatable_Bond_Count	1
10113978	Hydrogen_Bond_Acceptor_Count	8
12298579	Covalent_Unit_Count	1
5320621	TPSA	47.6
5282474	Total_Formal_Charge	0
53881088	TPSA	57.9
11661757	Total_Formal_Charge	0
314787	Structure_Complexity	270
56631355	Exact_Mass	116.083729621
121494073	Undefined_Atom_Stereo_Count	0
64647	Covalent_Unit_Count	2
17948	Undefined_Atom_Stereo_Count	0
17982851	Rotatable_Bond_Count	0
87671446	Isotope_Atom_Count	0
12309520	Rotatable_Bond_Count	4
62332	Exact_Mass	242.094294304
13611196	Molecular_Weight	108.18
68845	Hydrogen_Bond_Donor_Count	1
77763	Isotope_Atom_Count	0
53897	Rotatable_Bond_Count	5
65937	Hydrogen_Bond_Donor_Count	2
23674889	Rotatable_Bond_Count	2
42405	XLogP3-AA	3.8
10510831	XLogP3-AA	0.6
653145	Defined_Bond_Stereo_Count	0
24955007	Isotope_Atom_Count	0
21493122	Covalent_Unit_Count	1
8376	Mono_Isotopic_Weight	227.01783489
39066	Undefined_Atom_Stereo_Count	2
3614	Non-hydrogen_Atom_Count	9
2522	Tautomer_Count	1
71248	TPSA	91.9
135412736	Covalent_Unit_Count	1
305	Defined_Atom_Stereo_Count	0
15504	TPSA	0
135436543	XLogP3	1.6
6450816	Exact_Mass	612.2173192
82650934	Undefined_Bond_Stereo_Count	0
65332	Isotope_Atom_Count	0
253350	Isotope_Atom_Count	0
4399042	Hydrogen_Bond_Acceptor_Count	2
16036825	Undefined_Bond_Stereo_Count	0
65981	Undefined_Bond_Stereo_Count	0
51021	TPSA	62.9
99963	Hydrogen_Bond_Donor_Count	2
92897	Molecular_Weight	414.4
7095	XLogP3	4
5353495	Rotatable_Bond_Count	10
6427476	Undefined_Atom_Stereo_Count	2
9973	Covalent_Unit_Count	1
168871	XLogP3-AA	2.7
12309467	Non-hydrogen_Atom_Count	19
22459	Rotatable_Bond_Count	0
5280981	Hydrogen_Bond_Donor_Count	3
82419	Rotatable_Bond_Count	1
12313523	Hydrogen_Bond_Acceptor_Count	1
5030	Exact_Mass	536.39542454
192154	Total_Formal_Charge	0
7955	Undefined_Atom_Stereo_Count	0
69903	Hydrogen_Bond_Acceptor_Count	3
74826	Mono_Isotopic_Weight	183.0581549
69102	Non-hydrogen_Atom_Count	12
71024610	Hydrogen_Bond_Donor_Count	8
129720364	Mono_Isotopic_Weight	283.16443955
10461263	Undefined_Atom_Stereo_Count	1
22486473	Undefined_Bond_Stereo_Count	0
14145	Hydrogen_Bond_Donor_Count	0
4775	Structure_Complexity	137
10797	TPSA	13.1
135398641	Non-hydrogen_Atom_Count	19
2724564	Defined_Bond_Stereo_Count	0
87338910	Hydrogen_Bond_Donor_Count	2
51039095	Rotatable_Bond_Count	8
785	Defined_Bond_Stereo_Count	0
6695	Mono_Isotopic_Weight	443.23346786
72149	Isotope_Atom_Count	0
63116	Mono_Isotopic_Weight	280.121177757
9950094	Hydrogen_Bond_Donor_Count	1
57458911	Structure_Complexity	364
15690	Isotope_Atom_Count	0
71107	Exact_Mass	426.12494298
138231	Rotatable_Bond_Count	2
8840	Hydrogen_Bond_Acceptor_Count	3
6478	XLogP3	5
55223	Defined_Atom_Stereo_Count	0
667476	Isotope_Atom_Count	0
86289926	Exact_Mass	989.56294335
139024271	Undefined_Bond_Stereo_Count	0
127832	Hydrogen_Bond_Acceptor_Count	6
44134800	Total_Formal_Charge	0
11961423	Structure_Complexity	76.8
550825	Defined_Atom_Stereo_Count	0
923638	Hydrogen_Bond_Donor_Count	3
4025	Undefined_Atom_Stereo_Count	2
3034278	Defined_Bond_Stereo_Count	0
12636246	Hydrogen_Bond_Acceptor_Count	2
87831585	Structure_Complexity	101
17579	Mono_Isotopic_Weight	365.04868078
22419	Defined_Atom_Stereo_Count	0
22628836	Non-hydrogen_Atom_Count	8
40489	Defined_Bond_Stereo_Count	0
16219444	TPSA	159
24892775	Defined_Atom_Stereo_Count	6
639095	Hydrogen_Bond_Donor_Count	1
92185	Tautomer_Count	1
13363	Covalent_Unit_Count	2
9500	Covalent_Unit_Count	1
123671769	Undefined_Atom_Stereo_Count	0
43247500	TPSA	27
81798	Rotatable_Bond_Count	6
627816	Structure_Complexity	466
4658	XLogP3-AA	4.5
73240	Defined_Bond_Stereo_Count	0
20352	Tautomer_Count	1
110821	Rotatable_Bond_Count	5
316724	TPSA	18.5
64498	Mono_Isotopic_Weight	193.146664230
19526	Rotatable_Bond_Count	1
15864840	Isotope_Atom_Count	0
86000267	XLogP3-AA	6.3
22153558	Hydrogen_Bond_Acceptor_Count	1
76171	Isotope_Atom_Count	0
710762	Hydrogen_Bond_Acceptor_Count	3
53895	TPSA	33.5
5564	Rotatable_Bond_Count	2
86305	Rotatable_Bond_Count	5
4336361	Non-hydrogen_Atom_Count	22
969491	Rotatable_Bond_Count	0
122639	Mono_Isotopic_Weight	991.32922577
17273	Undefined_Atom_Stereo_Count	4
11632418	Covalent_Unit_Count	1
87704774	Non-hydrogen_Atom_Count	14
62474	Covalent_Unit_Count	1
475825	Defined_Atom_Stereo_Count	3
60199634	Structure_Complexity	726
1236	Non-hydrogen_Atom_Count	45
163727	Mono_Isotopic_Weight	235.0279174
21872570	Undefined_Bond_Stereo_Count	0
9860424	Hydrogen_Bond_Donor_Count	2
21131860	Defined_Bond_Stereo_Count	0
29249	Molecular_Weight	326.5
57242	TPSA	55
124708040	Rotatable_Bond_Count	4
86912	Hydrogen_Bond_Acceptor_Count	2
449355	Hydrogen_Bond_Acceptor_Count	9
24556	Non-hydrogen_Atom_Count	5
10197657	TPSA	43.1
16051696	Molecular_Weight	393.5
92326	Total_Formal_Charge	0
23015900	Defined_Atom_Stereo_Count	0
113415	Defined_Atom_Stereo_Count	0
73782	XLogP3	2.9
4436	Non-hydrogen_Atom_Count	16
3077	Structure_Complexity	103
11073353	Rotatable_Bond_Count	1
2680	Hydrogen_Bond_Donor_Count	2
18506394	Total_Formal_Charge	0
124524515	Undefined_Bond_Stereo_Count	0
122449120	Hydrogen_Bond_Donor_Count	1
17356	Undefined_Atom_Stereo_Count	0
135532964	Undefined_Bond_Stereo_Count	0
9865442	Exact_Mass	394.1547017
6917874	Hydrogen_Bond_Acceptor_Count	17
80690	Molecular_Weight	349.9
7526	Defined_Atom_Stereo_Count	0
169148	Exact_Mass	202.14297583
5359371	Exact_Mass	283.193614421
53999929	Isotope_Atom_Count	0
71733	Structure_Complexity	287
84363	Isotope_Atom_Count	0
87931798	Rotatable_Bond_Count	2
13118	Exact_Mass	360.08183212
68986097	Mono_Isotopic_Weight	766.33349644
21792545	Non-hydrogen_Atom_Count	17
522609	Exact_Mass	577.32641949
53316138	Defined_Atom_Stereo_Count	6
101815863	Defined_Atom_Stereo_Count	0
15967	XLogP3-AA	5.2
68880	Undefined_Bond_Stereo_Count	0
201412	Structure_Complexity	458
148139	Hydrogen_Bond_Acceptor_Count	9
79865794	Exact_Mass	112.088815002
93375	Hydrogen_Bond_Acceptor_Count	1
725300	Structure_Complexity	434
71268957	Molecular_Weight	541.7
76980	Total_Formal_Charge	0
10113	Hydrogen_Bond_Donor_Count	2
95162410	Hydrogen_Bond_Acceptor_Count	11
566597	Rotatable_Bond_Count	0
129754695	Non-hydrogen_Atom_Count	29
20528	Mono_Isotopic_Weight	267.08954328
24568	Non-hydrogen_Atom_Count	24
61789	Total_Formal_Charge	0
72899	Total_Formal_Charge	0
18506429	Total_Formal_Charge	0
3017434	Structure_Complexity	72.9
70520512	Non-hydrogen_Atom_Count	8
3661	Structure_Complexity	353
12428018	Structure_Complexity	120
138122	Covalent_Unit_Count	1
6436015	Defined_Bond_Stereo_Count	2
6507255	Undefined_Bond_Stereo_Count	0
154825180	Isotope_Atom_Count	0
13155261	Structure_Complexity	80.2
53998308	Structure_Complexity	86.1
5187	Hydrogen_Bond_Acceptor_Count	7
6763	Covalent_Unit_Count	1
135398570	Defined_Bond_Stereo_Count	0
67962	Undefined_Bond_Stereo_Count	0
23276	Defined_Bond_Stereo_Count	0
27566	Hydrogen_Bond_Donor_Count	0
135539121	Undefined_Atom_Stereo_Count	0
77991437	Defined_Atom_Stereo_Count	0
90258	TPSA	82.8
3035914	Total_Formal_Charge	0
18626418	Mono_Isotopic_Weight	118.062994177
73707356	TPSA	145
21414	Non-hydrogen_Atom_Count	21
9914506	Rotatable_Bond_Count	8
24746982	Defined_Bond_Stereo_Count	0
809622	Isotope_Atom_Count	0
99080	Tautomer_Count	1
9462	Defined_Atom_Stereo_Count	0
9470	Undefined_Atom_Stereo_Count	1
91223	Isotope_Atom_Count	0
117569444	Defined_Atom_Stereo_Count	0
122174048	Defined_Atom_Stereo_Count	0
136477	Defined_Atom_Stereo_Count	0
134129158	Exact_Mass	336.97721
45085047	Hydrogen_Bond_Acceptor_Count	3
31772	Defined_Atom_Stereo_Count	0
6912404	Undefined_Atom_Stereo_Count	0
13373005	Molecular_Weight	434.4
11629084	Structure_Complexity	1290
15825450	Mono_Isotopic_Weight	98.073164938
129746471	Undefined_Atom_Stereo_Count	1
44258737	Total_Formal_Charge	0
643786	Rotatable_Bond_Count	1
2248	Undefined_Atom_Stereo_Count	10
558502	Non-hydrogen_Atom_Count	8
11520	Mono_Isotopic_Weight	116.120115130
5388880	Non-hydrogen_Atom_Count	1
66296	Tautomer_Count	6
10070040	XLogP3	4.2
10129911	Undefined_Atom_Stereo_Count	1
78493	Hydrogen_Bond_Acceptor_Count	1
9603	Isotope_Atom_Count	0
139502	Hydrogen_Bond_Donor_Count	0
7156900	Non-hydrogen_Atom_Count	23
1507	TPSA	87.6
23581946	Rotatable_Bond_Count	4
448281	Structure_Complexity	527
5319	Rotatable_Bond_Count	3
53322430	Mono_Isotopic_Weight	320.13855916
129652927	TPSA	38.7
60710317	Undefined_Atom_Stereo_Count	0
71307528	Total_Formal_Charge	0
34755	Hydrogen_Bond_Donor_Count	4
119584	Defined_Bond_Stereo_Count	0
78096	Hydrogen_Bond_Acceptor_Count	4
15201044	Rotatable_Bond_Count	0
152306	Isotope_Atom_Count	0
53720955	Molecular_Weight	109.13
219399	Molecular_Weight	100.12
391	TPSA	113
129827453	Undefined_Bond_Stereo_Count	0
89318	Undefined_Bond_Stereo_Count	0
58550596	Defined_Bond_Stereo_Count	0
11964036	Structure_Complexity	1010
96859	Undefined_Bond_Stereo_Count	0
471	Molecular_Weight	304.25
3264839	Defined_Atom_Stereo_Count	0
3464	Total_Formal_Charge	0
14643175	Total_Formal_Charge	0
797972	Undefined_Bond_Stereo_Count	0
10409908	Rotatable_Bond_Count	5
3054073	Non-hydrogen_Atom_Count	5
129861481	Undefined_Bond_Stereo_Count	0
27211	TPSA	20.3
84481	TPSA	73.3
17904790	XLogP3-AA	0.7
73604	Defined_Bond_Stereo_Count	0
854418	Mono_Isotopic_Weight	267.100776666
10047141	Isotope_Atom_Count	0
36688115	Molecular_Weight	325.5
6477186	Mono_Isotopic_Weight	534.17261902
6238	Hydrogen_Bond_Acceptor_Count	3
5280335	Tautomer_Count	1
11275562	Rotatable_Bond_Count	0
366248	Hydrogen_Bond_Acceptor_Count	4
15628	Covalent_Unit_Count	1
13155711	Defined_Atom_Stereo_Count	0
398631	XLogP3-AA	5
530422	Non-hydrogen_Atom_Count	10
55397	Structure_Complexity	243
1387	XLogP3-AA	0.6
257	Defined_Atom_Stereo_Count	0
503327	Total_Formal_Charge	0
53320294	TPSA	51.7
131536	Molecular_Weight	585.6
93771	Covalent_Unit_Count	1
443879	Undefined_Atom_Stereo_Count	0
5311429	Mono_Isotopic_Weight	173.10519334
13465027	Structure_Complexity	72.9
11419776	Structure_Complexity	608
73185506	Isotope_Atom_Count	0
394128	Structure_Complexity	563
16212773	Structure_Complexity	382
497377	Rotatable_Bond_Count	5
3414	Hydrogen_Bond_Donor_Count	0
78241	Defined_Bond_Stereo_Count	0
148241675	Isotope_Atom_Count	0
7940	Hydrogen_Bond_Acceptor_Count	3
47750	Undefined_Bond_Stereo_Count	0
527031	Total_Formal_Charge	0
37508	Defined_Atom_Stereo_Count	0
54758216	Structure_Complexity	741
456058	Defined_Atom_Stereo_Count	7
5320621	Defined_Bond_Stereo_Count	2
6918546	TPSA	170
5288672	Undefined_Atom_Stereo_Count	0
12478719	TPSA	44
45116623	Non-hydrogen_Atom_Count	7
57734486	Hydrogen_Bond_Donor_Count	3
12412266	Hydrogen_Bond_Donor_Count	0
6918078	Mono_Isotopic_Weight	400.18456586
9794842	Hydrogen_Bond_Acceptor_Count	2
72199539	Hydrogen_Bond_Acceptor_Count	6
6929	Structure_Complexity	223
9084	Defined_Atom_Stereo_Count	0
53316388	Hydrogen_Bond_Donor_Count	2
13973072	Covalent_Unit_Count	1
15767	Hydrogen_Bond_Donor_Count	0
134694856	Undefined_Bond_Stereo_Count	0
5226	Covalent_Unit_Count	1
118978207	Hydrogen_Bond_Acceptor_Count	1
21037713	Molecular_Weight	397.4
14417887	Defined_Atom_Stereo_Count	0
17806258	Mono_Isotopic_Weight	107.037113783
10666310	Total_Formal_Charge	0
14397832	Exact_Mass	99.043261792
1024	TPSA	175
85557	Total_Formal_Charge	0
6366720	Defined_Bond_Stereo_Count	1
60203	TPSA	31.4
24916843	Structure_Complexity	989
4603	XLogP3-AA	1.1
20198094	Undefined_Atom_Stereo_Count	2
21867279	Defined_Atom_Stereo_Count	0
88212048	Covalent_Unit_Count	1
516892	Isotope_Atom_Count	0
5282108	TPSA	17.1
104610	Total_Formal_Charge	0
100308	Exact_Mass	338.89287
270299	Mono_Isotopic_Weight	116.083729621
6567	Rotatable_Bond_Count	1
13924394	Mono_Isotopic_Weight	112.052429494
36559	Mono_Isotopic_Weight	236.156500638
23690453	Defined_Bond_Stereo_Count	0
10909508	Total_Formal_Charge	0
3476986	Defined_Atom_Stereo_Count	0
9810773	Isotope_Atom_Count	0
5408	Rotatable_Bond_Count	0
411	Defined_Atom_Stereo_Count	0
17779280	TPSA	51.2
67488	Non-hydrogen_Atom_Count	10
52988031	Defined_Atom_Stereo_Count	0
14078847	Undefined_Bond_Stereo_Count	0
171257	Hydrogen_Bond_Donor_Count	3
57461895	Defined_Bond_Stereo_Count	0
7549	Tautomer_Count	1
86806	TPSA	199
123191142	Defined_Bond_Stereo_Count	0
491122	Defined_Bond_Stereo_Count	0
16051	XLogP3-AA	4
12136798	Rotatable_Bond_Count	6
115	Mono_Isotopic_Weight	229.03513872
2211	Molecular_Weight	262.4
71316127	Covalent_Unit_Count	1
12302681	Structure_Complexity	382
10291556	Rotatable_Bond_Count	2
825	Rotatable_Bond_Count	1
6413	Total_Formal_Charge	0
7043900	Undefined_Atom_Stereo_Count	0
53678703	Isotope_Atom_Count	0
10423	Mono_Isotopic_Weight	58.041864811
8766	Total_Formal_Charge	0
129654479	Structure_Complexity	108
23706212	Defined_Bond_Stereo_Count	0
70693142	Defined_Atom_Stereo_Count	0
66803155	Covalent_Unit_Count	1
17825297	Total_Formal_Charge	0
5283748	Defined_Atom_Stereo_Count	6
59772685	Molecular_Weight	432.4
5330196	Mono_Isotopic_Weight	456.1564330
5357258	TPSA	0
81561	Hydrogen_Bond_Donor_Count	0
3777650	Isotope_Atom_Count	0
13976498	TPSA	0
12576587	Covalent_Unit_Count	1
3908	Exact_Mass	496.26070817
138199	Total_Formal_Charge	0
3033521	Hydrogen_Bond_Donor_Count	5
81184	TPSA	15.6
54372438	Isotope_Atom_Count	0
11954389	Rotatable_Bond_Count	5
76537	Structure_Complexity	168
116047519	Mono_Isotopic_Weight	113.084063974
158348	Hydrogen_Bond_Donor_Count	1
37924	Non-hydrogen_Atom_Count	16
8936	Defined_Bond_Stereo_Count	0
23629960	Hydrogen_Bond_Donor_Count	2
522062	Total_Formal_Charge	0
20145490	Exact_Mass	110.073164938
40308	Non-hydrogen_Atom_Count	10
88703	Defined_Bond_Stereo_Count	0
71311382	TPSA	17.1
71571522	Total_Formal_Charge	0
403821	Hydrogen_Bond_Acceptor_Count	8
72943	XLogP3-AA	6.1
99807	Rotatable_Bond_Count	7
12431744	Mono_Isotopic_Weight	92.026214747
25202592	Molecular_Weight	129.16
21252133	Total_Formal_Charge	0
7073	Covalent_Unit_Count	1
12305037	Rotatable_Bond_Count	8
399748	Mono_Isotopic_Weight	366.14672380
141543352	Defined_Atom_Stereo_Count	0
120393	XLogP3	2.8
154109602	Undefined_Atom_Stereo_Count	2
522325	Mono_Isotopic_Weight	333.07592146
22842006	Structure_Complexity	808
69095	Structure_Complexity	363
6793	Hydrogen_Bond_Donor_Count	2
18068	Defined_Bond_Stereo_Count	0
87155	Mono_Isotopic_Weight	178.062994177
44630107	Tautomer_Count	1
92839	TPSA	29.5
23664290	Undefined_Bond_Stereo_Count	0
42602095	XLogP3-AA	2.4
53748491	Exact_Mass	342.11621151
15627	Defined_Atom_Stereo_Count	0
19802062	Total_Formal_Charge	0
46204764	TPSA	126
54682505	Total_Formal_Charge	0
163677749	TPSA	20.3
25146	Rotatable_Bond_Count	8
48362	Hydrogen_Bond_Acceptor_Count	1
12186	TPSA	20.2
87090701	Covalent_Unit_Count	1
54231313	Total_Formal_Charge	0
11752	Undefined_Atom_Stereo_Count	0
137347969	Hydrogen_Bond_Donor_Count	1
37829	XLogP3-AA	2.4
6401302	Total_Formal_Charge	0
653145	Isotope_Atom_Count	0
10336591	Rotatable_Bond_Count	2
820051	XLogP3-AA	0.2
21187532	Defined_Atom_Stereo_Count	0
28308	Isotope_Atom_Count	0
123966192	Defined_Atom_Stereo_Count	0
9916998	Structure_Complexity	1070
68873	Defined_Bond_Stereo_Count	0
25202592	Exact_Mass	129.078978594
122173102	Total_Formal_Charge	0
54598306	Rotatable_Bond_Count	3
58599	Hydrogen_Bond_Donor_Count	2
14512532	Hydrogen_Bond_Donor_Count	1
95456	Hydrogen_Bond_Donor_Count	2
440996	Exact_Mass	301.05626809
11519741	Exact_Mass	563.07996
9168	XLogP3	8.2
3033985	Structure_Complexity	519
126624267	Defined_Bond_Stereo_Count	0
3806114	Mono_Isotopic_Weight	148.00078784
9912381	Molecular_Weight	466.6
52918127	Hydrogen_Bond_Donor_Count	1
22924775	TPSA	80.3
21749233	Covalent_Unit_Count	1
548	Defined_Atom_Stereo_Count	0
522834	Hydrogen_Bond_Donor_Count	0
197740	Structure_Complexity	284
636398	XLogP3	4.2
4423	Total_Formal_Charge	0
33929	Covalent_Unit_Count	1
86233	Exact_Mass	317.1294900
73277	Hydrogen_Bond_Acceptor_Count	2
58560	Hydrogen_Bond_Acceptor_Count	3
5280784	Isotope_Atom_Count	0
158726884	Molecular_Weight	108.14
9906028	Isotope_Atom_Count	0
6476564	Hydrogen_Bond_Donor_Count	5
819291	Exact_Mass	116.047344113
2218	Defined_Bond_Stereo_Count	0
5391	Defined_Bond_Stereo_Count	0
25078015	Exact_Mass	1535.68521428
9826358	Rotatable_Bond_Count	6
94811	Covalent_Unit_Count	1
11725766	Hydrogen_Bond_Acceptor_Count	3
65052	Mono_Isotopic_Weight	137.047678466
105709961	Hydrogen_Bond_Acceptor_Count	1
7802604	Exact_Mass	388.13986234
14133354	TPSA	21.8
54267	Non-hydrogen_Atom_Count	5
1549103	Total_Formal_Charge	0
49866693	Covalent_Unit_Count	1
45878	Structure_Complexity	342
88631	TPSA	37.3
12323351	Total_Formal_Charge	0
25512	Exact_Mass	80.062600255
6854	Total_Formal_Charge	0
17963226	Mono_Isotopic_Weight	505.1802054
123611	Mono_Isotopic_Weight	1726.7707769
10026007	Covalent_Unit_Count	2
67375395	TPSA	103
54686261	Undefined_Atom_Stereo_Count	0
13807316	Exact_Mass	114.068079557
8507	Undefined_Atom_Stereo_Count	0
68203	Structure_Complexity	696
21651128	Defined_Atom_Stereo_Count	0
18377	Rotatable_Bond_Count	5
62358	Total_Formal_Charge	0
21984	Rotatable_Bond_Count	7
12530	Isotope_Atom_Count	0
86761	Defined_Bond_Stereo_Count	0
2734249	Isotope_Atom_Count	0
3744783	Undefined_Bond_Stereo_Count	0
70693263	Mono_Isotopic_Weight	501.1680007
53316380	Structure_Complexity	380
101584	Defined_Bond_Stereo_Count	0
29772	Total_Formal_Charge	0
5328793	Undefined_Atom_Stereo_Count	0
8855	XLogP3-AA	1.6
549876	Undefined_Atom_Stereo_Count	0
529432	Undefined_Bond_Stereo_Count	0
66503	Mono_Isotopic_Weight	418.168127949
135565082	Isotope_Atom_Count	0
90208	XLogP3-AA	1.1
132281917	Molecular_Weight	578.3
9841854	Covalent_Unit_Count	1
575893	TPSA	59.3
13222108	Undefined_Bond_Stereo_Count	0
11286453	Structure_Complexity	104
23537	TPSA	29.1
161094261	TPSA	0
123400613	Defined_Bond_Stereo_Count	0
9576891	Undefined_Bond_Stereo_Count	0
11979741	Non-hydrogen_Atom_Count	101
84647681	TPSA	38.3
5328940	Isotope_Atom_Count	0
160051	Tautomer_Count	1
121489349	Mono_Isotopic_Weight	2011.8379101
3017320	Defined_Bond_Stereo_Count	0
60287	Defined_Bond_Stereo_Count	0
11236353	Rotatable_Bond_Count	8
47328	Tautomer_Count	2
134980383	Isotope_Atom_Count	0
2193	XLogP3	2.7
3752	Mono_Isotopic_Weight	255.0078506
9361	Defined_Bond_Stereo_Count	0
69733	Undefined_Bond_Stereo_Count	0
57396887	Hydrogen_Bond_Donor_Count	3
129307545	Defined_Bond_Stereo_Count	1
65427	Isotope_Atom_Count	0
2724170	Isotope_Atom_Count	0
17740	Defined_Bond_Stereo_Count	0
47024	Hydrogen_Bond_Acceptor_Count	3
59295968	Exact_Mass	487.1674122
13519	XLogP3-AA	1.3
9298	Total_Formal_Charge	0
54586719	Undefined_Bond_Stereo_Count	0
78145	Hydrogen_Bond_Acceptor_Count	3
9934507	Molecular_Weight	377.5
448043	Isotope_Atom_Count	0
24973879	Exact_Mass	110.109550447
9325	Undefined_Bond_Stereo_Count	0
11205720	Undefined_Atom_Stereo_Count	0
2866	Isotope_Atom_Count	0
136892	Defined_Atom_Stereo_Count	0
69705	Structure_Complexity	95.7
10969	Covalent_Unit_Count	2
6289935	XLogP3	18.2
318158	XLogP3-AA	1
3171	Mono_Isotopic_Weight	213.06372245
76004	Total_Formal_Charge	0
93221	Mono_Isotopic_Weight	699.42473655
104933	Isotope_Atom_Count	0
584547	Exact_Mass	416.21988874
15250	Hydrogen_Bond_Acceptor_Count	2
9827529	Defined_Atom_Stereo_Count	0
9571004	Total_Formal_Charge	0
12136798	Covalent_Unit_Count	1
45116605	Mono_Isotopic_Weight	100.100048391
237031	Mono_Isotopic_Weight	112.063662883
49856296	Defined_Atom_Stereo_Count	0
4727	Molecular_Weight	149.21
84703	Rotatable_Bond_Count	14
46693	Hydrogen_Bond_Acceptor_Count	3
44207128	XLogP3-AA	7.4
5281670	Structure_Complexity	488
7675	Molecular_Weight	123.15
130666299	Defined_Atom_Stereo_Count	0
67512	Rotatable_Bond_Count	0
54362	Hydrogen_Bond_Acceptor_Count	12
44717198	Isotope_Atom_Count	0
23283001	Mono_Isotopic_Weight	108.093900383
27124	Non-hydrogen_Atom_Count	24
643209	Rotatable_Bond_Count	2
6956367	Isotope_Atom_Count	0
4054	TPSA	26
5934	Undefined_Bond_Stereo_Count	0
67495	Isotope_Atom_Count	0
114840	Exact_Mass	271.12084340
12978170	Molecular_Weight	96.17
51356843	Defined_Bond_Stereo_Count	0
139099	Exact_Mass	100.088815002
65601	Structure_Complexity	445
123519634	TPSA	0
3795601	TPSA	35.9
2059	Non-hydrogen_Atom_Count	25
129629321	Total_Formal_Charge	0
54942	TPSA	50.8
10930422	Undefined_Atom_Stereo_Count	0
17961316	Exact_Mass	101.047678466
100165	Non-hydrogen_Atom_Count	7
124526411	Hydrogen_Bond_Donor_Count	8
11182	Undefined_Bond_Stereo_Count	0
793266	Mono_Isotopic_Weight	262.0621387
21872909	Mono_Isotopic_Weight	648.29413356
124328164	Exact_Mass	530.28796829
53864533	Undefined_Atom_Stereo_Count	0
15965	Hydrogen_Bond_Donor_Count	2
81183	Hydrogen_Bond_Acceptor_Count	1
89374433	Defined_Bond_Stereo_Count	0
117265544	Covalent_Unit_Count	1
23130211	Isotope_Atom_Count	0
87380	Mono_Isotopic_Weight	240.133427172
9818479	Mono_Isotopic_Weight	203.105862047
48654	Mono_Isotopic_Weight	261.03644
606430	Hydrogen_Bond_Donor_Count	0
53249535	Non-hydrogen_Atom_Count	26
10313382	Hydrogen_Bond_Acceptor_Count	6
10103139	Undefined_Bond_Stereo_Count	0
58863788	Defined_Bond_Stereo_Count	0
93101	Tautomer_Count	1
40273	Defined_Bond_Stereo_Count	0
53928139	Defined_Atom_Stereo_Count	0
14949967	Non-hydrogen_Atom_Count	7
17776820	Mono_Isotopic_Weight	110.109550447
130165	Total_Formal_Charge	0
142186967	Undefined_Atom_Stereo_Count	4
2734171	Undefined_Bond_Stereo_Count	0
58387740	Mono_Isotopic_Weight	114.104465066
5460048	Structure_Complexity	133
153939154	Rotatable_Bond_Count	0
103656	Isotope_Atom_Count	0
22601	Defined_Bond_Stereo_Count	0
101989	Mono_Isotopic_Weight	274.229665576
5353830	Hydrogen_Bond_Donor_Count	1
123585399	Mono_Isotopic_Weight	97.052763847
31336	Non-hydrogen_Atom_Count	24
7085	Defined_Atom_Stereo_Count	0
3126	Hydrogen_Bond_Donor_Count	3
142243302	Non-hydrogen_Atom_Count	7
3613359	Rotatable_Bond_Count	0
86233820	Rotatable_Bond_Count	1
75836	Exact_Mass	214.193280068
67452149	Rotatable_Bond_Count	0
18407	Molecular_Weight	130.14
54708748	XLogP3-AA	3.1
86017	Undefined_Bond_Stereo_Count	0
123167	XLogP3	3.4
11370864	Non-hydrogen_Atom_Count	21
66751	Molecular_Weight	234.33
22924371	Rotatable_Bond_Count	0
448013	Hydrogen_Bond_Acceptor_Count	8
594781	Non-hydrogen_Atom_Count	12
59999797	Hydrogen_Bond_Acceptor_Count	1
12255652	Hydrogen_Bond_Donor_Count	2
4595	Defined_Atom_Stereo_Count	0
54586637	Undefined_Bond_Stereo_Count	0
7323	Total_Formal_Charge	0
550922	Defined_Bond_Stereo_Count	0
89310012	Undefined_Bond_Stereo_Count	0
53856650	Exact_Mass	110.109550447
60613	Hydrogen_Bond_Donor_Count	4
11006	Non-hydrogen_Atom_Count	16
71587288	Defined_Bond_Stereo_Count	0
31767	Mono_Isotopic_Weight	274.18925731
527559	Undefined_Atom_Stereo_Count	0
135410906	Covalent_Unit_Count	1
13758358	Defined_Bond_Stereo_Count	0
520301	Hydrogen_Bond_Donor_Count	1
21972128	Hydrogen_Bond_Donor_Count	1
10796703	Covalent_Unit_Count	1
10704662	Rotatable_Bond_Count	0
4183	Covalent_Unit_Count	1
126011	Isotope_Atom_Count	0
20714804	Defined_Bond_Stereo_Count	0
13438404	Rotatable_Bond_Count	1
5282340	Hydrogen_Bond_Donor_Count	0
11934	XLogP3	5.1
5352982	Molecular_Weight	254.41
5064	Undefined_Atom_Stereo_Count	4
146779553	Exact_Mass	108.093900383
5777	Isotope_Atom_Count	0
6917700	XLogP3-AA	1.8
14964043	Mono_Isotopic_Weight	97.052763847
56840987	Defined_Atom_Stereo_Count	6
57750418	Exact_Mass	382.19173754
61199	Mono_Isotopic_Weight	142.062994177
101033892	Covalent_Unit_Count	1
9593	Undefined_Bond_Stereo_Count	0
12358970	Total_Formal_Charge	0
73357	Defined_Atom_Stereo_Count	10
21766417	Structure_Complexity	58.1
1547484	XLogP3	5.8
18531013	Undefined_Bond_Stereo_Count	0
433294	Undefined_Atom_Stereo_Count	0
80108693	Structure_Complexity	70.1
12217061	Exact_Mass	97.063997236
529212	Structure_Complexity	92.6
131698425	Rotatable_Bond_Count	1
34591	Tautomer_Count	2
97041723	Mono_Isotopic_Weight	790.22615588
7854	Hydrogen_Bond_Acceptor_Count	1
12479241	XLogP3-AA	4.2
429095	Structure_Complexity	198
189821	Molecular_Weight	441.5
51235	Hydrogen_Bond_Donor_Count	2
81278	Defined_Bond_Stereo_Count	0
123611	TPSA	901
7567598	Non-hydrogen_Atom_Count	7
42762	Defined_Bond_Stereo_Count	0
10345790	Total_Formal_Charge	0
6973640	Isotope_Atom_Count	0
9948	Defined_Bond_Stereo_Count	0
45488106	Mono_Isotopic_Weight	445.11618739
5356392	Hydrogen_Bond_Acceptor_Count	16
188414	Total_Formal_Charge	0
5355863	Undefined_Bond_Stereo_Count	0
94866	Structure_Complexity	311
23103323	Defined_Atom_Stereo_Count	0
46570	Covalent_Unit_Count	1
32708	TPSA	65.7
71080	Hydrogen_Bond_Donor_Count	2
72199539	Isotope_Atom_Count	0
20689	Undefined_Bond_Stereo_Count	0
35625	XLogP3-AA	3.5
5288670	Rotatable_Bond_Count	9
11104792	Hydrogen_Bond_Donor_Count	3
129888394	XLogP3-AA	1.1
6078	Defined_Bond_Stereo_Count	0
59525132	XLogP3-AA	0.1
8034	Tautomer_Count	3
119096546	Molecular_Weight	116.11
8181	Mono_Isotopic_Weight	270.255880323
1305	Molecular_Weight	466.7
3073	Non-hydrogen_Atom_Count	11
68374	Tautomer_Count	9
54712709	Rotatable_Bond_Count	2
53413800	Isotope_Atom_Count	0
24888274	Hydrogen_Bond_Acceptor_Count	3
40463608	Structure_Complexity	102
1765	Hydrogen_Bond_Acceptor_Count	13
10101269	Isotope_Atom_Count	0
547678	Rotatable_Bond_Count	2
9524	Structure_Complexity	46.5
492967	Defined_Bond_Stereo_Count	0
83996	TPSA	122
9917	Undefined_Atom_Stereo_Count	0
56955933	Total_Formal_Charge	0
22081030	Undefined_Bond_Stereo_Count	0
54594759	Covalent_Unit_Count	1
498142	Rotatable_Bond_Count	0
5366925	Mono_Isotopic_Weight	188.9748192
4	Defined_Bond_Stereo_Count	0
11334	Exact_Mass	161.9639201
135624041	Defined_Bond_Stereo_Count	0
253881	Tautomer_Count	1
15139	Isotope_Atom_Count	0
93320	Defined_Bond_Stereo_Count	0
497380	Structure_Complexity	639
41377	Total_Formal_Charge	0
705467	Total_Formal_Charge	0
7577	Structure_Complexity	157
10248	Molecular_Weight	208.25
9846339	Isotope_Atom_Count	0
494519	Mono_Isotopic_Weight	399.13180201
5388925	Defined_Bond_Stereo_Count	4
164877	XLogP3-AA	5
54106033	TPSA	26
44205240	Rotatable_Bond_Count	5
11601544	Hydrogen_Bond_Acceptor_Count	2
24841	Defined_Atom_Stereo_Count	0
17090	Undefined_Bond_Stereo_Count	0
21896651	Molecular_Weight	1526.5
123265201	Defined_Bond_Stereo_Count	0
22725651	Exact_Mass	99.032028402
22054617	Undefined_Bond_Stereo_Count	0
5364714	Hydrogen_Bond_Acceptor_Count	2
19604274	Molecular_Weight	192.17
18137	Rotatable_Bond_Count	4
14572930	TPSA	44.8
83086	Hydrogen_Bond_Acceptor_Count	2
87901	Undefined_Atom_Stereo_Count	0
9827294	Undefined_Bond_Stereo_Count	0
48448	Total_Formal_Charge	0
147004	Defined_Atom_Stereo_Count	1
146158432	Covalent_Unit_Count	1
67411	Non-hydrogen_Atom_Count	21
40469421	Isotope_Atom_Count	0
54006055	Non-hydrogen_Atom_Count	18
642661	Defined_Atom_Stereo_Count	0
132282518	Rotatable_Bond_Count	22
74576	Hydrogen_Bond_Donor_Count	0
17236	Covalent_Unit_Count	1
44565779	Isotope_Atom_Count	0
3641960	Undefined_Atom_Stereo_Count	0
20691	Mono_Isotopic_Weight	284.282763776
5566	Mono_Isotopic_Weight	407.16430344
3060974	Exact_Mass	441.1819195
5311	Exact_Mass	264.14739250
829795	TPSA	101
5281575	Isotope_Atom_Count	0
66992840	Undefined_Bond_Stereo_Count	0
94182	Undefined_Atom_Stereo_Count	1
11182575	Mono_Isotopic_Weight	98.073164938
22660	Hydrogen_Bond_Donor_Count	1
788781	Hydrogen_Bond_Donor_Count	0
20590622	Isotope_Atom_Count	0
12021	Molecular_Weight	90.08
25137956	Defined_Bond_Stereo_Count	0
6961	TPSA	149
5319706	Structure_Complexity	314
94222	Rotatable_Bond_Count	3
21027022	Undefined_Atom_Stereo_Count	0
81445	Rotatable_Bond_Count	0
134688993	Molecular_Weight	263.78
134826475	Isotope_Atom_Count	0
11350	Total_Formal_Charge	0
129010082	Undefined_Atom_Stereo_Count	1
57057991	TPSA	43.4
21864093	TPSA	69.4
6518168	Isotope_Atom_Count	0
90916291	Non-hydrogen_Atom_Count	6
5281167	Total_Formal_Charge	0
67858481	Hydrogen_Bond_Acceptor_Count	2
11962267	Undefined_Bond_Stereo_Count	0
54580845	Structure_Complexity	315
44353367	Exact_Mass	344.0119330
44318267	Exact_Mass	390.11504700
121494046	Molecular_Weight	181.15
14200531	Non-hydrogen_Atom_Count	8
1550330	Defined_Bond_Stereo_Count	2
12766	Hydrogen_Bond_Donor_Count	1
136762	Hydrogen_Bond_Donor_Count	1
16075	XLogP3	1.8
22817455	Defined_Atom_Stereo_Count	4
536683	Defined_Bond_Stereo_Count	0
71582942	TPSA	63.2
22099238	Non-hydrogen_Atom_Count	8
17818	Defined_Atom_Stereo_Count	0
57656641	Mono_Isotopic_Weight	414.1589315
71339	TPSA	128
30868	XLogP3-AA	8.1
9830615	Defined_Atom_Stereo_Count	4
5282450	Hydrogen_Bond_Acceptor_Count	7
59907918	Hydrogen_Bond_Acceptor_Count	11
164668700	Non-hydrogen_Atom_Count	8
3485	Rotatable_Bond_Count	4
11181	Mono_Isotopic_Weight	100.063662883
25271781	Undefined_Atom_Stereo_Count	0
76376	Total_Formal_Charge	1
119054	Undefined_Atom_Stereo_Count	0
70687331	Isotope_Atom_Count	0
3366	Isotope_Atom_Count	0
3638	Isotope_Atom_Count	0
47635	Exact_Mass	339.13313942
5460221	XLogP3-AA	7.9
439255	Molecular_Weight	152.15
13492096	Rotatable_Bond_Count	1
21896450	Total_Formal_Charge	0
980	Undefined_Bond_Stereo_Count	0
96780	Tautomer_Count	1
52948174	Structure_Complexity	709
143506727	Undefined_Atom_Stereo_Count	1
447884	Total_Formal_Charge	0
8314	Defined_Atom_Stereo_Count	0
13374320	Undefined_Atom_Stereo_Count	1
6735	Defined_Atom_Stereo_Count	0
13418379	Non-hydrogen_Atom_Count	8
469717	Hydrogen_Bond_Acceptor_Count	4
129829002	Rotatable_Bond_Count	0
6099	Total_Formal_Charge	0
21162706	Undefined_Bond_Stereo_Count	0
4118151	TPSA	59.2
124605148	Exact_Mass	665.30474055
5316860	Hydrogen_Bond_Acceptor_Count	9
15179723	Covalent_Unit_Count	1
712967	Structure_Complexity	444
62204	XLogP3	2.4
528856	TPSA	75.9
1376	Total_Formal_Charge	0
123047	Total_Formal_Charge	0
19362293	Non-hydrogen_Atom_Count	7
66041	Molecular_Weight	130.19
557134	Defined_Atom_Stereo_Count	0
446222	Mono_Isotopic_Weight	133.07389321
4174	Undefined_Atom_Stereo_Count	0
138200	Non-hydrogen_Atom_Count	7
5461103	Defined_Bond_Stereo_Count	0
5879	Isotope_Atom_Count	0
6433115	XLogP3-AA	2.9
5523	TPSA	32.7
4224798	Non-hydrogen_Atom_Count	10
2799	Hydrogen_Bond_Donor_Count	1
5003096	Exact_Mass	157.01974964
5330790	Hydrogen_Bond_Donor_Count	3
78320408	Mono_Isotopic_Weight	518.25047541
38521	Exact_Mass	213.147726857
15700781	Isotope_Atom_Count	0
19425	Molecular_Weight	80.09
107327	Isotope_Atom_Count	0
11412	Rotatable_Bond_Count	3
136594	Tautomer_Count	1
22563961	Hydrogen_Bond_Acceptor_Count	1
21133868	Defined_Bond_Stereo_Count	0
54394679	Exact_Mass	108.043596145
111089	Hydrogen_Bond_Acceptor_Count	1
10624	Molecular_Weight	284.25
96780	Non-hydrogen_Atom_Count	17
14200531	Mono_Isotopic_Weight	145.98600716
10255482	Undefined_Atom_Stereo_Count	0
25273215	Hydrogen_Bond_Acceptor_Count	4
14626842	Defined_Atom_Stereo_Count	0
73917	Undefined_Bond_Stereo_Count	0
96201	Undefined_Atom_Stereo_Count	0
20827794	Defined_Bond_Stereo_Count	0
22836365	Exact_Mass	181.06674293
46193079	XLogP3	8.1
2733	Defined_Atom_Stereo_Count	0
5702293	Covalent_Unit_Count	2
545809	Non-hydrogen_Atom_Count	14
611834	Covalent_Unit_Count	7
6416	Total_Formal_Charge	0
2958	Hydrogen_Bond_Donor_Count	5
24883445	Rotatable_Bond_Count	0
874073	Structure_Complexity	506
61186	Undefined_Atom_Stereo_Count	0
13401731	Covalent_Unit_Count	1
136586	XLogP3-AA	1.4
170231	Structure_Complexity	408
100925187	Isotope_Atom_Count	0
88279	Undefined_Bond_Stereo_Count	0
97736001	Undefined_Atom_Stereo_Count	0
6973640	Non-hydrogen_Atom_Count	11
103984	Rotatable_Bond_Count	6
60198	XLogP3-AA	3.1
99033	Hydrogen_Bond_Acceptor_Count	5
56603751	Hydrogen_Bond_Acceptor_Count	9
46841789	Structure_Complexity	808
19424352	Undefined_Bond_Stereo_Count	0
6986	Covalent_Unit_Count	1
60464	Covalent_Unit_Count	1
58655	Structure_Complexity	212
121639	TPSA	150
11234806	TPSA	84.1
2844	Hydrogen_Bond_Acceptor_Count	7
12504793	Exact_Mass	100.088815002
68602320	Total_Formal_Charge	0
14646171	Structure_Complexity	85.4
6419765	Non-hydrogen_Atom_Count	18
60285	Undefined_Atom_Stereo_Count	0
14619629	Hydrogen_Bond_Donor_Count	1
57164232	Exact_Mass	106.041864811
100957861	Covalent_Unit_Count	1
6572	Rotatable_Bond_Count	0
9287	Undefined_Bond_Stereo_Count	0
88035683	TPSA	44.6
152743492	Structure_Complexity	588
9848818	Defined_Bond_Stereo_Count	0
171378	Molecular_Weight	146.18
13460	Defined_Bond_Stereo_Count	0
74682	Defined_Bond_Stereo_Count	0
70680970	Covalent_Unit_Count	1
31099	Structure_Complexity	254
45039617	Covalent_Unit_Count	1
742	Total_Formal_Charge	0
136870	Defined_Bond_Stereo_Count	0
15677	Undefined_Bond_Stereo_Count	0
54585856	Undefined_Atom_Stereo_Count	0
31312	Structure_Complexity	880
45480520	Defined_Atom_Stereo_Count	1
20484	Hydrogen_Bond_Acceptor_Count	6
62865	Hydrogen_Bond_Donor_Count	0
42608371	Molecular_Weight	287.44
93089	Mono_Isotopic_Weight	412.24947478
67518639	Defined_Bond_Stereo_Count	0
17929084	Undefined_Atom_Stereo_Count	0
69333963	Exact_Mass	112.063662883
87844643	Structure_Complexity	76.1
12705074	Rotatable_Bond_Count	2
25799	Covalent_Unit_Count	1
303547	TPSA	43.1
1970	Mono_Isotopic_Weight	399.16550218
8265	Exact_Mass	369.810560
11962143	TPSA	129
15402	Total_Formal_Charge	0
63179	Molecular_Weight	513.6
95343	Isotope_Atom_Count	0
102182857	Defined_Atom_Stereo_Count	0
73537	Defined_Atom_Stereo_Count	2
23421180	Covalent_Unit_Count	1
51397515	Exact_Mass	545.09131438
53237541	Covalent_Unit_Count	1
107670	Structure_Complexity	1030
134826477	Molecular_Weight	765.5
4523964	Defined_Bond_Stereo_Count	0
14416018	Non-hydrogen_Atom_Count	7
11116015	Undefined_Atom_Stereo_Count	2
24755480	Undefined_Atom_Stereo_Count	0
102446	Defined_Bond_Stereo_Count	0
52905	Undefined_Atom_Stereo_Count	0
36687804	Undefined_Bond_Stereo_Count	0
3035442	Defined_Atom_Stereo_Count	2
44144456	Isotope_Atom_Count	0
65872	Hydrogen_Bond_Donor_Count	1
354785	XLogP3	0.2
11954369	Mono_Isotopic_Weight	394.19556569
4594	Tautomer_Count	2
199539	Hydrogen_Bond_Acceptor_Count	1
11478	Non-hydrogen_Atom_Count	21
538	Total_Formal_Charge	0
357772	Rotatable_Bond_Count	5
6881	Non-hydrogen_Atom_Count	19
23681559	TPSA	72.8
54487968	Non-hydrogen_Atom_Count	8
135413518	Non-hydrogen_Atom_Count	32
10157484	Undefined_Atom_Stereo_Count	0
667	Rotatable_Bond_Count	20
54675850	Molecular_Weight	137.11
44329367	Total_Formal_Charge	0
2954	TPSA	116
146158371	Structure_Complexity	915
60054	Hydrogen_Bond_Donor_Count	3
7791	Undefined_Atom_Stereo_Count	2
73351	TPSA	167
133665799	Defined_Atom_Stereo_Count	0
82148	Hydrogen_Bond_Acceptor_Count	2
3055957	Undefined_Bond_Stereo_Count	0
36190	TPSA	21.7
69132	Defined_Atom_Stereo_Count	0
34719	TPSA	29.5
3034814	Hydrogen_Bond_Donor_Count	1
101656013	TPSA	170
5282745	Hydrogen_Bond_Acceptor_Count	2
62705690	Defined_Atom_Stereo_Count	0
893947	Hydrogen_Bond_Acceptor_Count	2
68510675	Hydrogen_Bond_Donor_Count	2
734	Defined_Bond_Stereo_Count	0
951315	Isotope_Atom_Count	0
278600	Non-hydrogen_Atom_Count	7
145679260	Structure_Complexity	125
58018940	Non-hydrogen_Atom_Count	8
5281104	Non-hydrogen_Atom_Count	30
5706540	Molecular_Weight	301.46
12209481	XLogP3-AA	1.2
446127	Mono_Isotopic_Weight	152.083729621
5462508	Non-hydrogen_Atom_Count	20
51092	Total_Formal_Charge	0
8129	Molecular_Weight	116.20
25271782	Undefined_Bond_Stereo_Count	0
25246317	Defined_Atom_Stereo_Count	12
66908762	XLogP3-AA	1.7
20617585	Hydrogen_Bond_Donor_Count	0
162883452	Rotatable_Bond_Count	6
11074101	Defined_Bond_Stereo_Count	0
70608	XLogP3-AA	1.8
129012189	Rotatable_Bond_Count	7
22447183	Covalent_Unit_Count	1
11020	Hydrogen_Bond_Acceptor_Count	3
129709955	Defined_Atom_Stereo_Count	0
67763	Isotope_Atom_Count	0
216261	XLogP3-AA	4.7
65067	Non-hydrogen_Atom_Count	15
57429842	Non-hydrogen_Atom_Count	8
8660	Structure_Complexity	229
11789176	Undefined_Bond_Stereo_Count	0
6256685	Rotatable_Bond_Count	12
9062	Rotatable_Bond_Count	1
38089	Undefined_Bond_Stereo_Count	0
12613538	Total_Formal_Charge	0
88941292	Total_Formal_Charge	0
72684	TPSA	36.3
131728182	Defined_Atom_Stereo_Count	0
129803162	Undefined_Atom_Stereo_Count	1
72886	Total_Formal_Charge	0
31657	Non-hydrogen_Atom_Count	14
1473879	Rotatable_Bond_Count	3
314	TPSA	175
5484132	Defined_Bond_Stereo_Count	1
2783279	Mono_Isotopic_Weight	151.00451168
4122	Covalent_Unit_Count	1
7213679	Structure_Complexity	820
69550	Exact_Mass	238.07020481
3084049	Covalent_Unit_Count	2
270299	Defined_Bond_Stereo_Count	0
16050550	XLogP3-AA	3.2
2021	Non-hydrogen_Atom_Count	23
23462	Non-hydrogen_Atom_Count	9
97860	Structure_Complexity	322
136254592	Covalent_Unit_Count	1
17695	Hydrogen_Bond_Acceptor_Count	3
441073	Tautomer_Count	1
56965681	Defined_Atom_Stereo_Count	0
9366	Tautomer_Count	1
3055171	Total_Formal_Charge	0
85773920	Exact_Mass	100.052429494
14992	Undefined_Atom_Stereo_Count	0
83050	Isotope_Atom_Count	0
277406	Isotope_Atom_Count	0
358996	Defined_Bond_Stereo_Count	0
4587	Hydrogen_Bond_Donor_Count	3
172997	Defined_Bond_Stereo_Count	0
4104621	Covalent_Unit_Count	1
135413528	Tautomer_Count	3
12394845	Total_Formal_Charge	0
47183	Mono_Isotopic_Weight	362.1761058
10510817	Isotope_Atom_Count	0
3580	Defined_Bond_Stereo_Count	0
138231	Total_Formal_Charge	0
12443800	Molecular_Weight	113.12
58795738	Total_Formal_Charge	0
3480590	Structure_Complexity	467
83975	Undefined_Bond_Stereo_Count	0
5376979	Structure_Complexity	305
54266224	Structure_Complexity	84.1
71451930	TPSA	99.2
138277	Undefined_Atom_Stereo_Count	0
6326947	Structure_Complexity	532
67413	Structure_Complexity	467
21322	Tautomer_Count	2
14970	Hydrogen_Bond_Donor_Count	20
30053	Hydrogen_Bond_Donor_Count	1
86101	Molecular_Weight	418.27
86260793	Undefined_Bond_Stereo_Count	0
112039	Hydrogen_Bond_Donor_Count	0
12729368	Defined_Bond_Stereo_Count	0
16224745	Hydrogen_Bond_Donor_Count	2
332226	Hydrogen_Bond_Acceptor_Count	3
29498	Undefined_Bond_Stereo_Count	0
10844548	Isotope_Atom_Count	0
242082	Mono_Isotopic_Weight	98.036779430
60359	Covalent_Unit_Count	1
514067	Isotope_Atom_Count	0
18431843	Hydrogen_Bond_Donor_Count	0
5903	Defined_Bond_Stereo_Count	0
246571	Hydrogen_Bond_Donor_Count	0
59894	Defined_Bond_Stereo_Count	0
135464373	Hydrogen_Bond_Acceptor_Count	5
72728690	TPSA	33
115227	Covalent_Unit_Count	2
12658	Undefined_Bond_Stereo_Count	2
90488715	Defined_Atom_Stereo_Count	10
535819	Total_Formal_Charge	0
8346	Undefined_Bond_Stereo_Count	0
4551	Undefined_Bond_Stereo_Count	0
6326972	Total_Formal_Charge	0
12318317	Hydrogen_Bond_Acceptor_Count	1
158785912	Non-hydrogen_Atom_Count	85
5311010	TPSA	416
7288	Non-hydrogen_Atom_Count	6
398654	XLogP3-AA	0.5
10042953	Total_Formal_Charge	0
511	Rotatable_Bond_Count	10
66829	Covalent_Unit_Count	1
70690637	Isotope_Atom_Count	0
3794	Rotatable_Bond_Count	4
66828839	Defined_Atom_Stereo_Count	7
65833	Mono_Isotopic_Weight	246.173213330
13112619	Molecular_Weight	85.15
24849134	Defined_Bond_Stereo_Count	0
7841	Exact_Mass	119.95746
18626415	Exact_Mass	102.068079557
6477182	Structure_Complexity	596
10498206	Rotatable_Bond_Count	8
178096	Hydrogen_Bond_Acceptor_Count	2
131698425	Exact_Mass	184.08849508
23668002	Undefined_Bond_Stereo_Count	0
53477948	Defined_Atom_Stereo_Count	1
208	Undefined_Atom_Stereo_Count	5
24868286	Exact_Mass	254.9966172
642801	Undefined_Bond_Stereo_Count	0
24739911	Defined_Atom_Stereo_Count	0
10130270	Defined_Bond_Stereo_Count	0
5360237	TPSA	293
23519822	Hydrogen_Bond_Donor_Count	3
455733	Exact_Mass	262.168127949
68616	Structure_Complexity	428
11249342	Undefined_Bond_Stereo_Count	0
123071	Hydrogen_Bond_Acceptor_Count	4
14079973	Undefined_Atom_Stereo_Count	1
123322483	Non-hydrogen_Atom_Count	7
149798	XLogP3-AA	1.1
92326	Exact_Mass	268.157563266
11524680	Exact_Mass	424.35526001
15981894	Hydrogen_Bond_Acceptor_Count	9
3593	Rotatable_Bond_Count	2
34452	Molecular_Weight	344.43
25849	Exact_Mass	275.224914549
13249050	Undefined_Atom_Stereo_Count	0
547696	Non-hydrogen_Atom_Count	7
10715	Total_Formal_Charge	0
85760873	Defined_Atom_Stereo_Count	0
60196320	TPSA	44.5
20790054	Defined_Atom_Stereo_Count	0
4567175	TPSA	31.4
12899069	Hydrogen_Bond_Acceptor_Count	6
25201603	Undefined_Bond_Stereo_Count	0
5192	Undefined_Bond_Stereo_Count	0
20055109	Covalent_Unit_Count	1
30541	Isotope_Atom_Count	0
72661	Total_Formal_Charge	0
114129	Rotatable_Bond_Count	4
16211288	Tautomer_Count	2
69484	TPSA	43.4
53316393	Mono_Isotopic_Weight	344.11723519
8432	Structure_Complexity	160
5311053	XLogP3	2.7
135418373	Defined_Bond_Stereo_Count	0
6439522	Defined_Bond_Stereo_Count	1
71451390	Molecular_Weight	475.0
2482	Structure_Complexity	174
1471380	Undefined_Atom_Stereo_Count	0
101576	XLogP3-AA	3.1
639102	Defined_Atom_Stereo_Count	0
118104	Structure_Complexity	109
3462	Total_Formal_Charge	0
55285855	Structure_Complexity	77.7
14920524	Molecular_Weight	111.10
154342062	Undefined_Atom_Stereo_Count	2
9394	Non-hydrogen_Atom_Count	40
10578	Molecular_Weight	518.5
668508	Defined_Bond_Stereo_Count	0
83201	Exact_Mass	338.1163980
46203139	Defined_Bond_Stereo_Count	0
22464	Hydrogen_Bond_Acceptor_Count	2
10041	Rotatable_Bond_Count	0
53699081	Covalent_Unit_Count	1
91618345	Covalent_Unit_Count	1
122360911	Covalent_Unit_Count	1
19633	Tautomer_Count	3
60196294	Undefined_Atom_Stereo_Count	2
123630180	Hydrogen_Bond_Donor_Count	0
532928	XLogP3-AA	10.6
129016768	Total_Formal_Charge	0
688154	Defined_Atom_Stereo_Count	2
517383	Exact_Mass	264.09736792
44443935	Isotope_Atom_Count	0
17948	Non-hydrogen_Atom_Count	18
18719	Undefined_Atom_Stereo_Count	2
9579578	Rotatable_Bond_Count	5
9911502	Mono_Isotopic_Weight	447.0689409
135391135	Non-hydrogen_Atom_Count	29
14490	Mono_Isotopic_Weight	132.078644241
81332758	Hydrogen_Bond_Donor_Count	0
93550	Defined_Atom_Stereo_Count	0
23652731	Non-hydrogen_Atom_Count	29
1894	Undefined_Bond_Stereo_Count	0
130122746	TPSA	29.5
838844	Exact_Mass	237.97418
83437	XLogP3	1.4
551630	Undefined_Atom_Stereo_Count	1
9811611	XLogP3-AA	3.7
12303424	Non-hydrogen_Atom_Count	19
72221005	Hydrogen_Bond_Acceptor_Count	3
10517	Rotatable_Bond_Count	9
91486	Total_Formal_Charge	0
11970126	Non-hydrogen_Atom_Count	12
60060441	Defined_Bond_Stereo_Count	0
2803172	TPSA	67.4
2296	Exact_Mass	491.20563565
53701	Undefined_Bond_Stereo_Count	0
10245972	Covalent_Unit_Count	1
2914	Structure_Complexity	903
60121	Isotope_Atom_Count	0
36392	Isotope_Atom_Count	0
68410	Non-hydrogen_Atom_Count	6
8635	Defined_Atom_Stereo_Count	0
9859094	TPSA	0
10258195	Exact_Mass	611.25260310
262	Undefined_Atom_Stereo_Count	2
12669677	Non-hydrogen_Atom_Count	24
68976065	Covalent_Unit_Count	1
118596336	Total_Formal_Charge	0
123237074	Undefined_Atom_Stereo_Count	1
62731702	Total_Formal_Charge	0
6581	Covalent_Unit_Count	1
16683095	Non-hydrogen_Atom_Count	8
42610	Mono_Isotopic_Weight	347.14561886
86170	Tautomer_Count	1
119607	Exact_Mass	314.07251349
24820357	Total_Formal_Charge	0
57624328	Defined_Bond_Stereo_Count	0
135177116	Covalent_Unit_Count	1
144513	Mono_Isotopic_Weight	96.093900383
15325996	Hydrogen_Bond_Donor_Count	1
14081616	Molecular_Weight	110.16
6240	Covalent_Unit_Count	2
90936519	Structure_Complexity	2330
135436537	Hydrogen_Bond_Acceptor_Count	9
16759177	Tautomer_Count	13
67739711	Exact_Mass	648.36755603
25137870	TPSA	51.6
9120	Defined_Atom_Stereo_Count	0
53893636	Hydrogen_Bond_Donor_Count	1
253613	XLogP3-AA	5.6
155903721	Mono_Isotopic_Weight	1347.582715
118917438	Molecular_Weight	115.13
13306871	TPSA	40.5
66783827	Undefined_Bond_Stereo_Count	0
53631822	XLogP3-AA	0.3
163468867	Total_Formal_Charge	0
60150535	Hydrogen_Bond_Acceptor_Count	6
10224595	Undefined_Atom_Stereo_Count	0
117736498	Mono_Isotopic_Weight	106.041864811
36023	Defined_Atom_Stereo_Count	0
3002119	Structure_Complexity	481
1310	Defined_Bond_Stereo_Count	0
153997402	Hydrogen_Bond_Donor_Count	1
54725318	Tautomer_Count	8
88800	Total_Formal_Charge	0
76840	Isotope_Atom_Count	0
136863	Non-hydrogen_Atom_Count	7
3277	Covalent_Unit_Count	1
7833	Undefined_Bond_Stereo_Count	0
4366894	Hydrogen_Bond_Acceptor_Count	0
6918111	Exact_Mass	328.1917559
23662264	Defined_Atom_Stereo_Count	0
3176	Isotope_Atom_Count	0
31222	Hydrogen_Bond_Acceptor_Count	2
3819932	TPSA	51
12529295	Covalent_Unit_Count	1
9909202	Total_Formal_Charge	0
4627807	Defined_Atom_Stereo_Count	0
102362828	Non-hydrogen_Atom_Count	41
12578544	Exact_Mass	117.078978594
23695982	Rotatable_Bond_Count	1
89200515	Defined_Atom_Stereo_Count	3
182420	Defined_Bond_Stereo_Count	0
11419335	Total_Formal_Charge	0
21953621	Isotope_Atom_Count	0
88323	TPSA	64.9
8809	Exact_Mass	334.1005581
5786	XLogP3	3.4
9989237	Undefined_Atom_Stereo_Count	0
4604180	Molecular_Weight	630.5
12755803	Hydrogen_Bond_Acceptor_Count	1
70150	Rotatable_Bond_Count	1
5493321	Exact_Mass	408.12969158
67771108	Exact_Mass	100.052429494
21675633	Mono_Isotopic_Weight	114.104465066
137553930	Rotatable_Bond_Count	4
5284613	Non-hydrogen_Atom_Count	38
23670359	Structure_Complexity	377
69280558	Mono_Isotopic_Weight	115.038176411
521300	Undefined_Atom_Stereo_Count	0
66249	Undefined_Bond_Stereo_Count	0
28431	Exact_Mass	114.068079557
168870	Exact_Mass	659.29888458
9859365	Undefined_Bond_Stereo_Count	0
56842000	Mono_Isotopic_Weight	601.944164
75789	Non-hydrogen_Atom_Count	11
89371029	TPSA	38
71651624	Exact_Mass	97.052763847
2350	TPSA	62.7
9801235	XLogP3-AA	4
524829	Defined_Bond_Stereo_Count	0
93521	Undefined_Atom_Stereo_Count	0
16069302	XLogP3-AA	4.2
39187	Undefined_Atom_Stereo_Count	1
7337	Defined_Atom_Stereo_Count	0
121207552	Hydrogen_Bond_Acceptor_Count	1
281	Defined_Bond_Stereo_Count	0
2367	Rotatable_Bond_Count	4
12599352	XLogP3-AA	0.5
11644097	Defined_Bond_Stereo_Count	0
650201	Molecular_Weight	395.5
4369413	Mono_Isotopic_Weight	370.08480950
74745	Hydrogen_Bond_Donor_Count	0
31917	Non-hydrogen_Atom_Count	24
365938	Molecular_Weight	385.8
58852839	XLogP3-AA	0.2
53448504	Defined_Atom_Stereo_Count	0
69168745	Undefined_Atom_Stereo_Count	0
49866505	Isotope_Atom_Count	0
439518	Hydrogen_Bond_Acceptor_Count	9
44230999	TPSA	128
13240378	Rotatable_Bond_Count	3
21873177	Total_Formal_Charge	0
17852300	Hydrogen_Bond_Acceptor_Count	2
81056	XLogP3	2
148931546	Mono_Isotopic_Weight	1201.84136802
86856	Structure_Complexity	63.5
16051954	Covalent_Unit_Count	2
23674	Undefined_Atom_Stereo_Count	0
5284580	Exact_Mass	968.49808019
289085	Rotatable_Bond_Count	8
464205	Structure_Complexity	354
5287792	Hydrogen_Bond_Acceptor_Count	3
53407229	Molecular_Weight	101.15
5353439	Defined_Atom_Stereo_Count	0
80599	Hydrogen_Bond_Acceptor_Count	1
12559	Rotatable_Bond_Count	23
7343	Rotatable_Bond_Count	3
10459649	Hydrogen_Bond_Acceptor_Count	9
23565353	Isotope_Atom_Count	0
9893	TPSA	26.3
5459811	Undefined_Atom_Stereo_Count	0
11319053	Tautomer_Count	12
8882	Defined_Atom_Stereo_Count	0
5329027	Non-hydrogen_Atom_Count	29
23064530	Undefined_Atom_Stereo_Count	0
522002	Undefined_Bond_Stereo_Count	0
117969398	Isotope_Atom_Count	0
533877	Non-hydrogen_Atom_Count	7
559740	Defined_Bond_Stereo_Count	0
90895196	Hydrogen_Bond_Donor_Count	5
51072180	Mono_Isotopic_Weight	99.068413911
137704662	Mono_Isotopic_Weight	528.21078060
73005	Total_Formal_Charge	0
15123308	Undefined_Bond_Stereo_Count	0
16220016	Molecular_Weight	3431.9
3081349	TPSA	121
23635314	Hydrogen_Bond_Acceptor_Count	5
11554076	XLogP3-AA	2.4
5497	Tautomer_Count	1
89312617	Non-hydrogen_Atom_Count	7
544591	Hydrogen_Bond_Acceptor_Count	0
5284507	Covalent_Unit_Count	1
4973	Isotope_Atom_Count	0
10197612	Isotope_Atom_Count	0
9909677	Undefined_Bond_Stereo_Count	0
84930	Isotope_Atom_Count	0
3832	Molecular_Weight	347.33
237041	Undefined_Atom_Stereo_Count	0
69342023	TPSA	76.7
83616	Structure_Complexity	224
87086790	Covalent_Unit_Count	1
11768523	Undefined_Bond_Stereo_Count	0
19910037	Undefined_Bond_Stereo_Count	0
63503	TPSA	48.4
4369325	Defined_Atom_Stereo_Count	0
8680	Undefined_Bond_Stereo_Count	0
58490287	Defined_Atom_Stereo_Count	0
364849	Total_Formal_Charge	0
53774272	Defined_Bond_Stereo_Count	0
65482	Undefined_Bond_Stereo_Count	0
13432	Exact_Mass	187.063328530
69627068	Covalent_Unit_Count	1
66330	XLogP3	3
71257	TPSA	43.2
44571187	Isotope_Atom_Count	0
53322429	Covalent_Unit_Count	1
4496	Structure_Complexity	480
23003869	Mono_Isotopic_Weight	112.088815002
79856	Total_Formal_Charge	0
21719209	Hydrogen_Bond_Acceptor_Count	3
6406	Defined_Bond_Stereo_Count	0
59295968	Covalent_Unit_Count	1
8588	Molecular_Weight	210.27
11251522	Undefined_Bond_Stereo_Count	0
71454296	Hydrogen_Bond_Donor_Count	2
339213	Defined_Atom_Stereo_Count	0
19073515	Undefined_Atom_Stereo_Count	1
11115032	Exact_Mass	666.22185834
15950376	XLogP3-AA	3.8
339231	Undefined_Bond_Stereo_Count	0
7244	Isotope_Atom_Count	0
47675	Total_Formal_Charge	0
69437	Rotatable_Bond_Count	4
12597	Rotatable_Bond_Count	0
44119603	Hydrogen_Bond_Acceptor_Count	3
86278362	Undefined_Atom_Stereo_Count	0
31227	Defined_Bond_Stereo_Count	0
21864164	Hydrogen_Bond_Acceptor_Count	3
123872156	Undefined_Atom_Stereo_Count	3
42519	Total_Formal_Charge	0
12103	Non-hydrogen_Atom_Count	9
21883050	Hydrogen_Bond_Donor_Count	1
137572	Defined_Bond_Stereo_Count	0
84002	Tautomer_Count	2
118177912	Structure_Complexity	98.2
14511497	Non-hydrogen_Atom_Count	8
6327116	Mono_Isotopic_Weight	141.01054143
12302654	Rotatable_Bond_Count	4
40391	Hydrogen_Bond_Donor_Count	0
9799942	Total_Formal_Charge	0
23664980	Undefined_Bond_Stereo_Count	0
705388	XLogP3-AA	3.8
23663950	Covalent_Unit_Count	2
130918	Defined_Atom_Stereo_Count	0
853863	Molecular_Weight	296.1
248580	Tautomer_Count	3
68385	Undefined_Atom_Stereo_Count	0
9802545	Covalent_Unit_Count	1
65798	Non-hydrogen_Atom_Count	33
11521066	Exact_Mass	88.052429494
78255	Total_Formal_Charge	0
12993402	Exact_Mass	252.208930132
118972006	Undefined_Bond_Stereo_Count	0
21717212	Rotatable_Bond_Count	6
801164	Non-hydrogen_Atom_Count	22
71072050	Structure_Complexity	644
131130	Hydrogen_Bond_Donor_Count	4
13761354	Molecular_Weight	112.17
1696	Exact_Mass	202.08278087
152204	Exact_Mass	161.06880783
20205172	Exact_Mass	118.099379685
50914976	XLogP3-AA	1.4
222199	TPSA	36.9
192807	Hydrogen_Bond_Donor_Count	2
53436345	Molecular_Weight	98.10
154091255	Rotatable_Bond_Count	1
6427071	Undefined_Atom_Stereo_Count	0
155903168	Hydrogen_Bond_Acceptor_Count	14
6918509	Undefined_Bond_Stereo_Count	0
90730816	Undefined_Atom_Stereo_Count	1
65894	Rotatable_Bond_Count	3
11193842	Rotatable_Bond_Count	4
11951725	Rotatable_Bond_Count	4
163722493	Isotope_Atom_Count	0
6956382	Covalent_Unit_Count	1
14022519	Hydrogen_Bond_Donor_Count	4
86063	Undefined_Bond_Stereo_Count	0
16620	Mono_Isotopic_Weight	109.089149355
12074364	Isotope_Atom_Count	0
10569	XLogP3-AA	4.8
12545984	Non-hydrogen_Atom_Count	7
144513	Rotatable_Bond_Count	0
121945	Structure_Complexity	561
220181	Structure_Complexity	327
6535	Covalent_Unit_Count	1
6040	Mono_Isotopic_Weight	233.141578849
135398559	Hydrogen_Bond_Acceptor_Count	10
259360	Molecular_Weight	105.14
75840	Hydrogen_Bond_Donor_Count	2
13472	Defined_Atom_Stereo_Count	5
23981	Rotatable_Bond_Count	0
135403630	Total_Formal_Charge	0
13371699	Non-hydrogen_Atom_Count	35
402035	Mono_Isotopic_Weight	528.06986
10962	Rotatable_Bond_Count	2
447076	Exact_Mass	395.19573968
78808	XLogP3-AA	1.7
24774912	Defined_Bond_Stereo_Count	0
57055230	Non-hydrogen_Atom_Count	7
53465849	Undefined_Bond_Stereo_Count	0
129830140	Defined_Bond_Stereo_Count	1
4619	Rotatable_Bond_Count	13
45073433	Non-hydrogen_Atom_Count	43
24441	Defined_Atom_Stereo_Count	0
154091255	Undefined_Bond_Stereo_Count	0
137537	Defined_Atom_Stereo_Count	0
132420	Hydrogen_Bond_Donor_Count	2
15992306	Covalent_Unit_Count	1
440175	Rotatable_Bond_Count	3
175533	Total_Formal_Charge	0
5311507	Rotatable_Bond_Count	5
70039	Non-hydrogen_Atom_Count	16
23677992	Hydrogen_Bond_Acceptor_Count	6
44226825	Mono_Isotopic_Weight	306.16588839
6321	Non-hydrogen_Atom_Count	9
51	Covalent_Unit_Count	1
67174361	Structure_Complexity	108
135539121	Non-hydrogen_Atom_Count	36
17892701	Isotope_Atom_Count	0
5712574	Total_Formal_Charge	0
574809	Defined_Bond_Stereo_Count	0
24987	Hydrogen_Bond_Donor_Count	0
57109318	Defined_Atom_Stereo_Count	0
56765705	Hydrogen_Bond_Donor_Count	1
7938	Non-hydrogen_Atom_Count	8
69885	XLogP3-AA	3
853433	Defined_Bond_Stereo_Count	1
6437356	Undefined_Atom_Stereo_Count	1
180081	XLogP3-AA	2.8
11105655	Hydrogen_Bond_Acceptor_Count	2
53315139	Defined_Atom_Stereo_Count	10
6399027	Structure_Complexity	140
25381	Covalent_Unit_Count	2
46916401	Defined_Bond_Stereo_Count	0
53846436	Defined_Bond_Stereo_Count	0
5364448	Defined_Bond_Stereo_Count	1
129814671	Defined_Bond_Stereo_Count	0
11689	Exact_Mass	489.88745
6429536	Mono_Isotopic_Weight	199.93343
639661	Non-hydrogen_Atom_Count	6
6857538	Tautomer_Count	1
44570629	Hydrogen_Bond_Acceptor_Count	9
277	Defined_Bond_Stereo_Count	0
44421047	Mono_Isotopic_Weight	923.48784986
22764074	Isotope_Atom_Count	0
5283748	XLogP3-AA	5
197341	Rotatable_Bond_Count	5
42095	Hydrogen_Bond_Donor_Count	0
75821	Molecular_Weight	162.18
139086112	Defined_Bond_Stereo_Count	0
34060	Rotatable_Bond_Count	6
130026523	Molecular_Weight	110.15
5853	Total_Formal_Charge	0
23675746	Covalent_Unit_Count	2
46325	XLogP3-AA	2.2
11407637	Hydrogen_Bond_Donor_Count	1
39425	Mono_Isotopic_Weight	249.139173551
138077	Isotope_Atom_Count	0
65706	XLogP3-AA	1.3
133635911	Total_Formal_Charge	0
4829	Undefined_Atom_Stereo_Count	1
5886	Covalent_Unit_Count	1
9892815	Hydrogen_Bond_Donor_Count	2
7454	Defined_Atom_Stereo_Count	0
65013	Defined_Bond_Stereo_Count	0
190818	Hydrogen_Bond_Acceptor_Count	10
86705695	Isotope_Atom_Count	0
68589	Molecular_Weight	444.7
20605239	Non-hydrogen_Atom_Count	6
18156	Defined_Atom_Stereo_Count	0
12560725	Defined_Bond_Stereo_Count	0
14058558	Hydrogen_Bond_Acceptor_Count	3
53235510	Undefined_Bond_Stereo_Count	0
409747	Structure_Complexity	61.2
6427574	Hydrogen_Bond_Acceptor_Count	2
4228493	Undefined_Atom_Stereo_Count	0
18358	Defined_Bond_Stereo_Count	0
182137	XLogP3	2.2
69834	Molecular_Weight	109.17
9613	Non-hydrogen_Atom_Count	8
53494692	Hydrogen_Bond_Acceptor_Count	4
138477	Exact_Mass	146.059246208
6916258	Non-hydrogen_Atom_Count	24
4468	Covalent_Unit_Count	1
51041	Undefined_Bond_Stereo_Count	0
11974	XLogP3-AA	3.2
69578	Exact_Mass	94.00303452
5283547	Undefined_Bond_Stereo_Count	0
87505	Defined_Atom_Stereo_Count	1
11379	Molecular_Weight	144.17
17466	Non-hydrogen_Atom_Count	38
65495	Hydrogen_Bond_Donor_Count	1
73919	Non-hydrogen_Atom_Count	16
3209	Hydrogen_Bond_Donor_Count	1
124904106	Exact_Mass	342.11621151
11137094	Exact_Mass	94.078250319
71484	Molecular_Weight	606.6
549780	TPSA	24.4
4065	Molecular_Weight	235.32
543880	Covalent_Unit_Count	1
23675341	Hydrogen_Bond_Donor_Count	2
13601826	Structure_Complexity	50.1
5194	Exact_Mass	740.44994823
12594098	Undefined_Atom_Stereo_Count	3
53784322	TPSA	20.2
44393	Exact_Mass	280.125200510
632	Hydrogen_Bond_Donor_Count	2
17215	Isotope_Atom_Count	0
141329202	Hydrogen_Bond_Donor_Count	0
135052535	Mono_Isotopic_Weight	116.047344113
2322334	TPSA	52.7
71311141	Undefined_Bond_Stereo_Count	0
9664	XLogP3-AA	1.5
136796	Defined_Bond_Stereo_Count	0
85296	Molecular_Weight	147.24
72430	TPSA	84.5
2724100	Undefined_Bond_Stereo_Count	0
12961638	Hydrogen_Bond_Acceptor_Count	5
90485	Mono_Isotopic_Weight	206.094294304
23678802	Rotatable_Bond_Count	12
5280981	Molecular_Weight	222.17
24917008	Molecular_Weight	290.42
2754342	Mono_Isotopic_Weight	176.12348643
10558	Undefined_Atom_Stereo_Count	0
5365589	Undefined_Bond_Stereo_Count	0
37508	Hydrogen_Bond_Donor_Count	0
92155	Non-hydrogen_Atom_Count	30
439182	Defined_Atom_Stereo_Count	4
86691500	Undefined_Bond_Stereo_Count	0
54521625	Hydrogen_Bond_Donor_Count	1
28561	TPSA	80
73820465	Hydrogen_Bond_Donor_Count	2
6999987	Non-hydrogen_Atom_Count	7
17298	Rotatable_Bond_Count	5
28343	Non-hydrogen_Atom_Count	8
88043	Exact_Mass	150.079312947
249494	Isotope_Atom_Count	0
25828	Defined_Atom_Stereo_Count	0
67125854	Molecular_Weight	115.13
22939741	Undefined_Bond_Stereo_Count	0
22906680	Isotope_Atom_Count	0
46203139	Isotope_Atom_Count	0
60503	Rotatable_Bond_Count	5
69834	Hydrogen_Bond_Donor_Count	0
686073	XLogP3-AA	2.9
41442	Isotope_Atom_Count	0
24202578	Hydrogen_Bond_Donor_Count	2
20067437	Molecular_Weight	113.11
292429	Structure_Complexity	590
79322731	Non-hydrogen_Atom_Count	8
168263	Structure_Complexity	83.5
11049	Undefined_Atom_Stereo_Count	0
14445624	Total_Formal_Charge	0
91825644	Hydrogen_Bond_Acceptor_Count	3
49852403	Non-hydrogen_Atom_Count	91
251910	Hydrogen_Bond_Acceptor_Count	4
6441388	Undefined_Atom_Stereo_Count	0
9445	Molecular_Weight	207.01
12285862	Isotope_Atom_Count	0
59904077	Exact_Mass	342.11621151
118613234	Isotope_Atom_Count	0
5284623	Defined_Atom_Stereo_Count	7
14030006	Mono_Isotopic_Weight	932.76803489
12352	Defined_Bond_Stereo_Count	0
54120934	Molecular_Weight	99.09
17671	Hydrogen_Bond_Donor_Count	0
141037332	Molecular_Weight	93.13
219104	Tautomer_Count	1
91030322	Undefined_Bond_Stereo_Count	1
129846595	Molecular_Weight	1170.0
248898	Molecular_Weight	317.4
98889	Defined_Bond_Stereo_Count	0
83975	Exact_Mass	331.17835828
297812	Hydrogen_Bond_Donor_Count	8
9543528	Defined_Atom_Stereo_Count	2
46073	XLogP3-AA	1
1923	Hydrogen_Bond_Donor_Count	1
91612119	Covalent_Unit_Count	1
82418996	TPSA	75.8
719	Undefined_Atom_Stereo_Count	4
5083	Defined_Bond_Stereo_Count	0
130038395	Mono_Isotopic_Weight	124.02483259
115358	Covalent_Unit_Count	1
10021783	Defined_Bond_Stereo_Count	0
2568387	Isotope_Atom_Count	0
21996040	Exact_Mass	114.104465066
87425008	Total_Formal_Charge	0
55285271	Covalent_Unit_Count	1
71267	Undefined_Atom_Stereo_Count	0
5366149	Undefined_Bond_Stereo_Count	0
82938	Hydrogen_Bond_Donor_Count	0
71533242	Structure_Complexity	753
10251	Undefined_Bond_Stereo_Count	0
154518370	Rotatable_Bond_Count	1
105026	Undefined_Bond_Stereo_Count	0
5249209	TPSA	30.7
42586	Undefined_Atom_Stereo_Count	1
4178022	Isotope_Atom_Count	0
53407792	Covalent_Unit_Count	1
3007984	Molecular_Weight	783.9
546717	Covalent_Unit_Count	2
91760	Rotatable_Bond_Count	3
89767	Structure_Complexity	754
56842993	Structure_Complexity	503
54192233	XLogP3-AA	1.4
5460094	Structure_Complexity	756
2733336	Molecular_Weight	48.02
24965990	Tautomer_Count	1
107800	Tautomer_Count	2
29976	Total_Formal_Charge	0
73937	Total_Formal_Charge	0
23268532	Hydrogen_Bond_Donor_Count	2
11029762	Exact_Mass	88.052429494
13635047	XLogP3-AA	0.2
98051216	Isotope_Atom_Count	0
5364495	Undefined_Atom_Stereo_Count	0
12576587	Structure_Complexity	78.1
220820	Defined_Atom_Stereo_Count	0
49769064	Covalent_Unit_Count	1
6426773	Molecular_Weight	612.8
77445309	Hydrogen_Bond_Donor_Count	1
38963	Hydrogen_Bond_Donor_Count	2
59693921	Mono_Isotopic_Weight	111.043261792
987917	Exact_Mass	379.88706
2225	Rotatable_Bond_Count	7
22419332	Structure_Complexity	137
22661587	TPSA	3
16721	XLogP3	2.3
6683	Undefined_Bond_Stereo_Count	0
27826	Undefined_Bond_Stereo_Count	0
96665	Covalent_Unit_Count	1
18929959	Defined_Atom_Stereo_Count	0
53465	Undefined_Atom_Stereo_Count	0
123512955	Covalent_Unit_Count	1
68909	Hydrogen_Bond_Donor_Count	1
49756	Total_Formal_Charge	0
670359	Hydrogen_Bond_Acceptor_Count	4
108144	Tautomer_Count	7
56670168	Rotatable_Bond_Count	5
5770	Structure_Complexity	1000
3388301	Defined_Bond_Stereo_Count	0
101535535	Hydrogen_Bond_Donor_Count	1
121285115	Isotope_Atom_Count	0
535532	Covalent_Unit_Count	1
31251	Undefined_Bond_Stereo_Count	0
2618	TPSA	235
14982	Covalent_Unit_Count	1
146014417	Covalent_Unit_Count	3
128419	Undefined_Atom_Stereo_Count	0
85874	Exact_Mass	245.1182566
9889867	Structure_Complexity	669
61375	Defined_Atom_Stereo_Count	0
1630	XLogP3-AA	0.7
50878566	Molecular_Weight	306.4
3918	Molecular_Weight	257.37
119025724	Non-hydrogen_Atom_Count	43
54688261	Structure_Complexity	502
3958	Undefined_Atom_Stereo_Count	1
3014295	TPSA	56.7
21991095	Mono_Isotopic_Weight	111.079647300
10702	Isotope_Atom_Count	0
6410734	Molecular_Weight	351.8
6815	Isotope_Atom_Count	0
24750	Isotope_Atom_Count	0
103656	Defined_Atom_Stereo_Count	0
23436	Exact_Mass	204.0341926
42754	Molecular_Weight	254.12
5922	Structure_Complexity	108
101454647	Non-hydrogen_Atom_Count	26
5506	Total_Formal_Charge	0
46238536	XLogP3-AA	4.2
13134	Rotatable_Bond_Count	2
274234	Isotope_Atom_Count	0
72153	Structure_Complexity	208
11101	Structure_Complexity	164
76373	Non-hydrogen_Atom_Count	8
439639	Molecular_Weight	666.6
449223	Undefined_Atom_Stereo_Count	0
23723057	Rotatable_Bond_Count	1
25199890	Hydrogen_Bond_Acceptor_Count	14
19027761	Molecular_Weight	109.13
24860548	Hydrogen_Bond_Donor_Count	3
249187	Defined_Bond_Stereo_Count	0
87254	Covalent_Unit_Count	1
136305444	Total_Formal_Charge	0
134129158	TPSA	77.6
11358924	Hydrogen_Bond_Acceptor_Count	5
3734	Molecular_Weight	777.1
59751	Isotope_Atom_Count	0
50938	Mono_Isotopic_Weight	257.177964357
66016	Rotatable_Bond_Count	5
12242919	Covalent_Unit_Count	1
7409	Isotope_Atom_Count	0
277406	Non-hydrogen_Atom_Count	8
5281888	Defined_Atom_Stereo_Count	0
517348	Hydrogen_Bond_Acceptor_Count	2
76969110	TPSA	355
550830	Undefined_Atom_Stereo_Count	2
12532405	Rotatable_Bond_Count	0
23695324	Hydrogen_Bond_Acceptor_Count	7
76973723	Mono_Isotopic_Weight	1213.91668897
135449281	Undefined_Atom_Stereo_Count	0
54600009	Covalent_Unit_Count	2
618566	Defined_Atom_Stereo_Count	0
22356182	Defined_Bond_Stereo_Count	0
12183049	Exact_Mass	108.093900383
64737	Undefined_Bond_Stereo_Count	0
129814671	Mono_Isotopic_Weight	137.03892530
99451	Total_Formal_Charge	0
126011	Defined_Atom_Stereo_Count	0
2736548	Hydrogen_Bond_Acceptor_Count	2
68770	Non-hydrogen_Atom_Count	26
6399027	TPSA	58.9
23423	Hydrogen_Bond_Acceptor_Count	6
71681009	Total_Formal_Charge	0
11123355	Structure_Complexity	101
6438151	Hydrogen_Bond_Acceptor_Count	14
23702	Total_Formal_Charge	0
101574147	Hydrogen_Bond_Acceptor_Count	7
77342	Covalent_Unit_Count	1
101630832	Non-hydrogen_Atom_Count	26
290670	Undefined_Atom_Stereo_Count	8
57535	Rotatable_Bond_Count	8
140799438	Undefined_Atom_Stereo_Count	0
56672294	Defined_Atom_Stereo_Count	0
35455	Rotatable_Bond_Count	4
17963363	Undefined_Bond_Stereo_Count	0
674917	Defined_Bond_Stereo_Count	0
63974	Hydrogen_Bond_Acceptor_Count	6
25780	Rotatable_Bond_Count	7
3009363	Isotope_Atom_Count	0
4418	TPSA	45.2
74208	Undefined_Atom_Stereo_Count	0
135247704	Exact_Mass	115.063328530
15634681	Hydrogen_Bond_Donor_Count	1
46937085	Mono_Isotopic_Weight	433.23654186
6323264	Total_Formal_Charge	0
14410	Covalent_Unit_Count	1
14765771	Exact_Mass	108.032362755
11966095	Non-hydrogen_Atom_Count	85
6334	Hydrogen_Bond_Donor_Count	0
86677009	Total_Formal_Charge	0
3921152	Defined_Atom_Stereo_Count	0
87485	Hydrogen_Bond_Acceptor_Count	3
45256107	Isotope_Atom_Count	0
16197724	Tautomer_Count	986
13690	Undefined_Atom_Stereo_Count	0
57734486	Molecular_Weight	357.4
12525	Covalent_Unit_Count	3
13512	Defined_Bond_Stereo_Count	0
42710	Non-hydrogen_Atom_Count	25
74652204	Mono_Isotopic_Weight	500.1734795
90488875	Covalent_Unit_Count	3
56603728	Hydrogen_Bond_Acceptor_Count	5
2117002	Rotatable_Bond_Count	5
99560	Hydrogen_Bond_Acceptor_Count	4
21823	Exact_Mass	217.110278721
1473879	Defined_Bond_Stereo_Count	0
547678	Mono_Isotopic_Weight	116.047344113
7808	Tautomer_Count	2
20769606	Mono_Isotopic_Weight	114.068079557
76974846	Defined_Atom_Stereo_Count	2
18503	Exact_Mass	210.042927438
11719407	Mono_Isotopic_Weight	452.1403890
784	Mono_Isotopic_Weight	34.005479302
8497	Molecular_Weight	167.12
11207	Total_Formal_Charge	0
20770500	Defined_Bond_Stereo_Count	0
11170949	XLogP3-AA	0.1
14868106	Rotatable_Bond_Count	1
10257882	Mono_Isotopic_Weight	592.27194156
104826	Undefined_Atom_Stereo_Count	1
135566433	Covalent_Unit_Count	1
44338774	XLogP3-AA	3.2
16756754	XLogP3-AA	6.3
25210	Tautomer_Count	3
14453671	Hydrogen_Bond_Acceptor_Count	1
447378	Defined_Bond_Stereo_Count	0
58801077	Molecular_Weight	113.16
22224184	Defined_Atom_Stereo_Count	0
1127	Total_Formal_Charge	0
10909482	Structure_Complexity	85.4
5289517	Defined_Bond_Stereo_Count	0
542152	Tautomer_Count	1
40466996	Undefined_Bond_Stereo_Count	0
7168	Non-hydrogen_Atom_Count	15
54679224	Mono_Isotopic_Weight	144.9930561
11416654	TPSA	125
123618	Covalent_Unit_Count	1
161218	TPSA	131
75779	Undefined_Bond_Stereo_Count	0
17360	Undefined_Bond_Stereo_Count	1
2723730	Non-hydrogen_Atom_Count	9
23925	Exact_Mass	55.934936
32503	XLogP3-AA	3.3
699683	Hydrogen_Bond_Donor_Count	0
581676	Mono_Isotopic_Weight	289.16779360
20093437	Covalent_Unit_Count	1
71463602	XLogP3	1
2762864	Isotope_Atom_Count	0
7750126	Undefined_Bond_Stereo_Count	0
48882	Defined_Atom_Stereo_Count	0
85535	Mono_Isotopic_Weight	396.396730897
2394	Undefined_Atom_Stereo_Count	12
36846	Mono_Isotopic_Weight	319.157228913
688024	Mono_Isotopic_Weight	275.15214353
5672	Exact_Mass	778.39416469
542606	Undefined_Atom_Stereo_Count	3
6450830	Undefined_Bond_Stereo_Count	0
1245	Covalent_Unit_Count	1
10718	Molecular_Weight	257.24
5081	TPSA	78.8
484	Rotatable_Bond_Count	0
1549080	Total_Formal_Charge	0
135546352	TPSA	50.7
3652	Mono_Isotopic_Weight	335.1764402
605461	Total_Formal_Charge	0
3047046	Mono_Isotopic_Weight	1438.56054879
71300726	Non-hydrogen_Atom_Count	225
14042	Rotatable_Bond_Count	3
50878566	Isotope_Atom_Count	0
77757	XLogP3-AA	15.6
9843744	Hydrogen_Bond_Acceptor_Count	5
659840	Non-hydrogen_Atom_Count	19
154809859	Undefined_Bond_Stereo_Count	1
47289	Tautomer_Count	2
17074	Mono_Isotopic_Weight	157.945683
87323627	Non-hydrogen_Atom_Count	8
2933256	Hydrogen_Bond_Acceptor_Count	1
3690	Molecular_Weight	261.08
27058	Rotatable_Bond_Count	14
18713388	Undefined_Atom_Stereo_Count	0
14353870	TPSA	33.4
6271	TPSA	37.3
233208	Mono_Isotopic_Weight	85.052763847
18503	Structure_Complexity	309
13242839	Covalent_Unit_Count	1
25386	Defined_Bond_Stereo_Count	0
56746	Hydrogen_Bond_Acceptor_Count	4
6405	Total_Formal_Charge	0
71490	Isotope_Atom_Count	0
2733336	Structure_Complexity	10.8
54307	Undefined_Atom_Stereo_Count	0
21622656	Undefined_Atom_Stereo_Count	0
61040	Exact_Mass	182.130679813
656587	TPSA	59.1
23672325	Covalent_Unit_Count	2
10734	Tautomer_Count	1
60196264	TPSA	556
4792	Undefined_Atom_Stereo_Count	8
1255	Total_Formal_Charge	0
135977933	Exact_Mass	280.001424
45120354	Undefined_Atom_Stereo_Count	2
21879756	Undefined_Bond_Stereo_Count	0
19710	Molecular_Weight	118.13
139502	Structure_Complexity	128
22227703	Exact_Mass	466.1758310
20448997	Covalent_Unit_Count	1
134687781	Mono_Isotopic_Weight	803.48197664
10960	Undefined_Atom_Stereo_Count	0
11744314	Covalent_Unit_Count	1
24808640	Defined_Atom_Stereo_Count	0
1783	Undefined_Atom_Stereo_Count	0
13286	Undefined_Atom_Stereo_Count	0
11945	Non-hydrogen_Atom_Count	13
2825062	Mono_Isotopic_Weight	638.09720
177976	Molecular_Weight	375.4
10534635	TPSA	27
54166403	Non-hydrogen_Atom_Count	8
189914	Total_Formal_Charge	0
9332	Exact_Mass	219.07727831
71309128	TPSA	110
45084999	Hydrogen_Bond_Acceptor_Count	2
31315	Undefined_Bond_Stereo_Count	0
3972	Total_Formal_Charge	0
135938	Hydrogen_Bond_Donor_Count	1
13642201	Hydrogen_Bond_Donor_Count	1
9949648	Undefined_Atom_Stereo_Count	0
5107724	Structure_Complexity	206
53464	XLogP3	3.7
19828393	Mono_Isotopic_Weight	135.079647300
18601660	Isotope_Atom_Count	0
12672856	Defined_Atom_Stereo_Count	0
11291	Total_Formal_Charge	0
147059143	Undefined_Atom_Stereo_Count	1
16134410	Covalent_Unit_Count	1
10399535	TPSA	48.1
872	Non-hydrogen_Atom_Count	23
42231	Non-hydrogen_Atom_Count	30
16540	Molecular_Weight	119.59
118193	Structure_Complexity	72.6
97637	Hydrogen_Bond_Acceptor_Count	1
85792900	Undefined_Bond_Stereo_Count	0
71305034	Structure_Complexity	636
16932	Undefined_Atom_Stereo_Count	0
6922965	Hydrogen_Bond_Acceptor_Count	1
107275	XLogP3-AA	1.6
53736293	Rotatable_Bond_Count	1
87293	Undefined_Atom_Stereo_Count	0
131674917	Total_Formal_Charge	0
16003	TPSA	45.6
19108211	Hydrogen_Bond_Donor_Count	1
9084	Molecular_Weight	102.05
23688977	Covalent_Unit_Count	2
650960	Exact_Mass	458.24302422
13062961	Structure_Complexity	79.3
123751374	Exact_Mass	1201.84136802
9929785	Hydrogen_Bond_Acceptor_Count	3
11294	Defined_Bond_Stereo_Count	0
118161592	Defined_Bond_Stereo_Count	0
6300	Tautomer_Count	3
6983	Undefined_Atom_Stereo_Count	0
453214	Exact_Mass	456.12677620
11565289	Undefined_Atom_Stereo_Count	1
91022475	Non-hydrogen_Atom_Count	8
108381	Hydrogen_Bond_Acceptor_Count	8
107502	Hydrogen_Bond_Donor_Count	3
2736567	Non-hydrogen_Atom_Count	8
6994977	Rotatable_Bond_Count	7
135989	Hydrogen_Bond_Acceptor_Count	0
131057	Hydrogen_Bond_Donor_Count	4
37907	Total_Formal_Charge	0
602731	Isotope_Atom_Count	0
13473	Hydrogen_Bond_Acceptor_Count	2
19621	Total_Formal_Charge	0
544588	Covalent_Unit_Count	1
73278	Hydrogen_Bond_Acceptor_Count	3
5528	Isotope_Atom_Count	0
12452576	Molecular_Weight	85.12
97982	Non-hydrogen_Atom_Count	15
58471	Hydrogen_Bond_Acceptor_Count	4
4595	Hydrogen_Bond_Donor_Count	0
123744867	TPSA	27.1
8090	TPSA	26.3
154474669	Hydrogen_Bond_Donor_Count	2
23053647	Isotope_Atom_Count	0
10126081	Exact_Mass	354.18939187
10131842	Exact_Mass	336.13615911
2865	Defined_Atom_Stereo_Count	0
13073879	Rotatable_Bond_Count	3
148821664	Defined_Atom_Stereo_Count	0
11072675	Hydrogen_Bond_Acceptor_Count	1
70685495	Defined_Atom_Stereo_Count	3
61253	Structure_Complexity	269
54020544	Mono_Isotopic_Weight	99.032028402
5281072	Undefined_Bond_Stereo_Count	0
521491	Covalent_Unit_Count	1
69421	Total_Formal_Charge	0
56621335	Mono_Isotopic_Weight	86.084398327
3280	Isotope_Atom_Count	0
145438	TPSA	0
46470	Tautomer_Count	2
107670	Undefined_Atom_Stereo_Count	0
59082722	Undefined_Bond_Stereo_Count	0
20326	Non-hydrogen_Atom_Count	23
88396	Tautomer_Count	2
23159180	Hydrogen_Bond_Donor_Count	1
87220078	Undefined_Bond_Stereo_Count	0
14236	Non-hydrogen_Atom_Count	8
44462985	Covalent_Unit_Count	1
5281771	Undefined_Bond_Stereo_Count	0
160817	Defined_Atom_Stereo_Count	0
25008765	XLogP3-AA	0.2
13117013	Defined_Bond_Stereo_Count	0
18934227	Defined_Atom_Stereo_Count	0
62388	Hydrogen_Bond_Donor_Count	0
18656	Defined_Bond_Stereo_Count	0
13416	Structure_Complexity	126
6971018	TPSA	67.8
58044790	Undefined_Atom_Stereo_Count	0
589692	Structure_Complexity	138
4118151	Structure_Complexity	292
61071	XLogP3-AA	3.4
46216142	Tautomer_Count	2
33463	Tautomer_Count	2
7742	XLogP3	1.1
130025208	XLogP3-AA	1.5
258030	Total_Formal_Charge	0
18852	Undefined_Atom_Stereo_Count	0
74080	Hydrogen_Bond_Acceptor_Count	2
10384259	Defined_Atom_Stereo_Count	0
15118	Hydrogen_Bond_Donor_Count	1
1811	Exact_Mass	190.01135253
13842461	Isotope_Atom_Count	0
8225	Defined_Bond_Stereo_Count	0
13704283	Total_Formal_Charge	0
53232451	Molecular_Weight	355.3
143342009	Hydrogen_Bond_Acceptor_Count	1
16757815	Hydrogen_Bond_Acceptor_Count	16
81421	Structure_Complexity	318
107202	Hydrogen_Bond_Acceptor_Count	3
441558	Defined_Atom_Stereo_Count	2
14040	Total_Formal_Charge	0
24848325	Isotope_Atom_Count	0
160440	Tautomer_Count	1
2803172	Undefined_Bond_Stereo_Count	0
56162	Defined_Bond_Stereo_Count	0
6436079	XLogP3	6.2
89233	Covalent_Unit_Count	1
71916	Molecular_Weight	251.28
12081	Undefined_Atom_Stereo_Count	0
21168	Defined_Atom_Stereo_Count	0
1676	Undefined_Atom_Stereo_Count	0
5364420	XLogP3-AA	6.9
91825716	Molecular_Weight	245.32
28369	Exact_Mass	126.068079557
56993535	Hydrogen_Bond_Acceptor_Count	1
86278355	Rotatable_Bond_Count	31
74080	Mono_Isotopic_Weight	106.053098200
74431	Molecular_Weight	269.4
4344	Structure_Complexity	53.7
67615455	Undefined_Atom_Stereo_Count	2
5357155	Isotope_Atom_Count	0
24864821	Mono_Isotopic_Weight	383.13822480
12524131	Undefined_Atom_Stereo_Count	0
3032396	Isotope_Atom_Count	0
129711468	Covalent_Unit_Count	1
43231	Defined_Bond_Stereo_Count	0
71541098	Exact_Mass	255.0581549
123991	Covalent_Unit_Count	1
73759759	Undefined_Atom_Stereo_Count	4
53818	Undefined_Bond_Stereo_Count	0
11366	Non-hydrogen_Atom_Count	27
11234052	Molecular_Weight	370.4
11979781	Rotatable_Bond_Count	22
92389	Covalent_Unit_Count	1
71713793	Hydrogen_Bond_Acceptor_Count	4
66703	Undefined_Atom_Stereo_Count	0
106358	Undefined_Atom_Stereo_Count	0
9536	Non-hydrogen_Atom_Count	12
146159220	Hydrogen_Bond_Acceptor_Count	20
138394156	Undefined_Bond_Stereo_Count	0
5312137	Hydrogen_Bond_Donor_Count	2
6331630	Total_Formal_Charge	0
34549	Covalent_Unit_Count	1
14225655	Hydrogen_Bond_Donor_Count	0
89061875	Defined_Bond_Stereo_Count	0
101998518	Hydrogen_Bond_Donor_Count	1
18710045	XLogP3-AA	1.4
139026056	Exact_Mass	342.11621151
3733	Non-hydrogen_Atom_Count	50
9934678	Hydrogen_Bond_Acceptor_Count	6
11081093	Tautomer_Count	1
83556	Molecular_Weight	364.0
118499237	TPSA	43.4
134150175	TPSA	110
11647679	Hydrogen_Bond_Acceptor_Count	3
63985	Structure_Complexity	763
10341	Hydrogen_Bond_Acceptor_Count	2
94180	Hydrogen_Bond_Acceptor_Count	3
19966	Exact_Mass	84.093900383
53316394	Non-hydrogen_Atom_Count	22
143289	Defined_Bond_Stereo_Count	0
25151504	Defined_Bond_Stereo_Count	0
381993	TPSA	85.1
12702413	Covalent_Unit_Count	1
76564	Total_Formal_Charge	0
80032	Isotope_Atom_Count	0
5702073	Undefined_Atom_Stereo_Count	2
5319422	Hydrogen_Bond_Donor_Count	2
68258	Total_Formal_Charge	0
33184	Mono_Isotopic_Weight	74.048012819
20055089	TPSA	12.5
11480401	Undefined_Bond_Stereo_Count	0
78357784	Undefined_Atom_Stereo_Count	0
5151436	TPSA	20.2
6919051	Covalent_Unit_Count	1
129009603	Undefined_Bond_Stereo_Count	0
424893	Exact_Mass	625.24334160
57190391	Covalent_Unit_Count	1
25210	Total_Formal_Charge	0
5311035	Undefined_Bond_Stereo_Count	0
4993	Undefined_Atom_Stereo_Count	0
10909502	XLogP3	1.7
23724526	Exact_Mass	383.10961
62347	Mono_Isotopic_Weight	142.04907545
779642	Rotatable_Bond_Count	6
70789202	Defined_Atom_Stereo_Count	0
13521	Defined_Atom_Stereo_Count	0
8877	Structure_Complexity	228
4220190	Non-hydrogen_Atom_Count	8
152780129	XLogP3-AA	1.1
446925	Defined_Bond_Stereo_Count	11
129893524	Covalent_Unit_Count	3
28281	Tautomer_Count	5
6918314	XLogP3-AA	4
717	Hydrogen_Bond_Acceptor_Count	9
3165	Molecular_Weight	319.14
7537	Isotope_Atom_Count	0
144452917	Undefined_Atom_Stereo_Count	0
13224	Defined_Atom_Stereo_Count	0
53709010	Mono_Isotopic_Weight	188.11609238
8641	Non-hydrogen_Atom_Count	14
52950127	Mono_Isotopic_Weight	397.16018325
1643	Covalent_Unit_Count	1
20147457	Molecular_Weight	84.12
145915578	Total_Formal_Charge	0
3636	Isotope_Atom_Count	0
7926	Exact_Mass	250.05410052
13349549	Total_Formal_Charge	0
10175126	Non-hydrogen_Atom_Count	41
91773	Covalent_Unit_Count	1
6527	TPSA	44.8
643785	Tautomer_Count	1
11513929	Defined_Bond_Stereo_Count	0
668531	Non-hydrogen_Atom_Count	19
87869	Exact_Mass	288.0444070
40785065	Mono_Isotopic_Weight	404.25627424
688510	Covalent_Unit_Count	1
135399594	TPSA	245
8763	Tautomer_Count	1
70969	Tautomer_Count	1
57484773	TPSA	0
59018485	Hydrogen_Bond_Donor_Count	0
136585	Defined_Bond_Stereo_Count	0
82479	TPSA	59.8
216456	Undefined_Bond_Stereo_Count	0
11954350	Defined_Atom_Stereo_Count	1
6519	Mono_Isotopic_Weight	719.710750
135408511	Mono_Isotopic_Weight	323.199762429
260708	Rotatable_Bond_Count	1
130026605	Exact_Mass	94.041864811
34481	Non-hydrogen_Atom_Count	22
4196	Defined_Bond_Stereo_Count	0
535634	Exact_Mass	81.057849228
5360807	Hydrogen_Bond_Acceptor_Count	8
9892122	Hydrogen_Bond_Acceptor_Count	9
440192	Mono_Isotopic_Weight	206.094294304
9984487	Defined_Atom_Stereo_Count	0
85299214	Covalent_Unit_Count	1
9844225	Mono_Isotopic_Weight	405.1343006
12509714	Non-hydrogen_Atom_Count	7
9855476	Defined_Atom_Stereo_Count	0
110373	Mono_Isotopic_Weight	114.068079557
77833	Structure_Complexity	350
60209582	TPSA	75.7
22137869	Isotope_Atom_Count	0
125461707	Undefined_Bond_Stereo_Count	0
12768403	Hydrogen_Bond_Donor_Count	2
640753	Structure_Complexity	142
36559	Hydrogen_Bond_Donor_Count	0
10311	Rotatable_Bond_Count	4
47445	Undefined_Bond_Stereo_Count	0
163050674	Undefined_Bond_Stereo_Count	0
272991	Non-hydrogen_Atom_Count	30
9973981	Exact_Mass	331.1339066
6338	Hydrogen_Bond_Acceptor_Count	0
3544	Undefined_Bond_Stereo_Count	0
121396	Defined_Atom_Stereo_Count	1
181255	Rotatable_Bond_Count	1
21058	Mono_Isotopic_Weight	309.993027
17982942	TPSA	48.9
74735	Hydrogen_Bond_Donor_Count	0
13394	Tautomer_Count	3
6019	Isotope_Atom_Count	0
18715492	Total_Formal_Charge	0
36995	Undefined_Bond_Stereo_Count	0
71469	Hydrogen_Bond_Donor_Count	14
129826870	Mono_Isotopic_Weight	166.135765193
13044948	XLogP3-AA	0.3
54111851	Defined_Atom_Stereo_Count	0
5357	Molecular_Weight	354.5
12205	Mono_Isotopic_Weight	180.0221037
9820186	Structure_Complexity	484
125409	Covalent_Unit_Count	1
12301	Exact_Mass	104.047344113
65710	Non-hydrogen_Atom_Count	27
54480591	Undefined_Bond_Stereo_Count	1
137699188	Rotatable_Bond_Count	13
31336	Defined_Atom_Stereo_Count	1
71305059	Defined_Atom_Stereo_Count	2
164868049	TPSA	9.2
7045654	Total_Formal_Charge	1
537906	Hydrogen_Bond_Donor_Count	1
138669688	Exact_Mass	764.3738198
11548000	TPSA	24.9
68705	XLogP3-AA	4.8
261555	Structure_Complexity	711
5773	Hydrogen_Bond_Donor_Count	1
22264	Non-hydrogen_Atom_Count	27
91280177	TPSA	0
439263	Non-hydrogen_Atom_Count	11
8710	Total_Formal_Charge	0
30160	Undefined_Atom_Stereo_Count	3
8551	Structure_Complexity	532
135398727	Tautomer_Count	9
12456033	Undefined_Atom_Stereo_Count	0
14060968	XLogP3-AA	0
46944253	Molecular_Weight	468.2
70688570	Molecular_Weight	385.4
27236	Defined_Bond_Stereo_Count	0
12743050	Structure_Complexity	121
125110	Isotope_Atom_Count	0
168924	Hydrogen_Bond_Donor_Count	0
169016	Hydrogen_Bond_Acceptor_Count	5
162344793	Hydrogen_Bond_Acceptor_Count	9
24967621	Hydrogen_Bond_Acceptor_Count	4
10184937	Rotatable_Bond_Count	8
701083	Molecular_Weight	349.3
68103	XLogP3-AA	1.9
13512560	Isotope_Atom_Count	0
3369	Molecular_Weight	302.73
5333	Defined_Bond_Stereo_Count	0
22918788	Exact_Mass	88.052429494
14502976	Undefined_Bond_Stereo_Count	0
71305059	Mono_Isotopic_Weight	421.11618739
255191	Hydrogen_Bond_Donor_Count	0
6918474	Undefined_Atom_Stereo_Count	0
117010139	TPSA	15
9543216	Rotatable_Bond_Count	0
135409836	Covalent_Unit_Count	1
8425	Hydrogen_Bond_Acceptor_Count	1
7620	Undefined_Atom_Stereo_Count	0
15271	Tautomer_Count	1
5354486	Covalent_Unit_Count	1
12213229	Structure_Complexity	238
994360	Hydrogen_Bond_Donor_Count	1
6925	Undefined_Atom_Stereo_Count	0
135404289	Defined_Atom_Stereo_Count	0
45266503	Structure_Complexity	419
8897	Mono_Isotopic_Weight	133.03750770
11354606	Isotope_Atom_Count	0
20062226	Defined_Bond_Stereo_Count	0
14109	Covalent_Unit_Count	1
47289	TPSA	62.6
2071	Undefined_Atom_Stereo_Count	1
121938	Hydrogen_Bond_Donor_Count	1
9806615	Undefined_Bond_Stereo_Count	0
87823	Isotope_Atom_Count	0
57740148	Defined_Atom_Stereo_Count	0
44272237	Isotope_Atom_Count	0
21924633	Covalent_Unit_Count	1
53856650	XLogP3-AA	3.4
13283	Hydrogen_Bond_Acceptor_Count	2
24900937	Hydrogen_Bond_Donor_Count	4
564751	Undefined_Atom_Stereo_Count	0
60052896	Undefined_Atom_Stereo_Count	2
71584541	Mono_Isotopic_Weight	399.16952493
7722	Non-hydrogen_Atom_Count	9
66601	XLogP3-AA	1.2
84420187	Total_Formal_Charge	0
12369	Defined_Bond_Stereo_Count	0
72950888	Exact_Mass	571.18312413
2735001	Non-hydrogen_Atom_Count	12
11569967	XLogP3-AA	3.2
6434253	Rotatable_Bond_Count	6
33671	Hydrogen_Bond_Acceptor_Count	2
23087	Covalent_Unit_Count	1
17912	Non-hydrogen_Atom_Count	21
10558611	Molecular_Weight	120.11
11023	Rotatable_Bond_Count	4
93290	Total_Formal_Charge	0
18755011	Rotatable_Bond_Count	0
18442764	Undefined_Bond_Stereo_Count	0
95566291	Molecular_Weight	416.6
529275	XLogP3-AA	3.1
4141306	Rotatable_Bond_Count	7
65974	Defined_Bond_Stereo_Count	0
18182	Isotope_Atom_Count	0
4633677	Hydrogen_Bond_Acceptor_Count	5
88589623	Exact_Mass	665.30474055
2604	Covalent_Unit_Count	1
146463800	Hydrogen_Bond_Acceptor_Count	2
119098876	Exact_Mass	1120.19982200
98207156	Hydrogen_Bond_Acceptor_Count	11
4740700	Isotope_Atom_Count	0
361762	Covalent_Unit_Count	1
3349	Covalent_Unit_Count	1
70691388	Tautomer_Count	1001
7076	Defined_Bond_Stereo_Count	0
45120308	Defined_Bond_Stereo_Count	0
145188444	TPSA	55.4
92246	Undefined_Atom_Stereo_Count	0
12444627	Rotatable_Bond_Count	13
122051	Undefined_Bond_Stereo_Count	0
73425380	Total_Formal_Charge	0
10527347	Covalent_Unit_Count	1
74760	Total_Formal_Charge	0
45479680	Non-hydrogen_Atom_Count	55
155143	Rotatable_Bond_Count	10
918436	Hydrogen_Bond_Donor_Count	0
534610	Mono_Isotopic_Weight	114.104465066
8417	TPSA	44.8
12963076	TPSA	16.1
9578507	Defined_Bond_Stereo_Count	4
11228183	Molecular_Weight	813.4
76968505	Molecular_Weight	325.9
5320	Isotope_Atom_Count	0
76223445	Hydrogen_Bond_Donor_Count	1
16073666	XLogP3-AA	4.8
57401427	Hydrogen_Bond_Acceptor_Count	5
14148804	XLogP3-AA	1.4
18744	Covalent_Unit_Count	1
9900	Defined_Bond_Stereo_Count	0
14351762	Defined_Atom_Stereo_Count	0
44623937	XLogP3-AA	3
107647	Isotope_Atom_Count	0
100030	XLogP3-AA	0.2
74600475	Molecular_Weight	428.5
54490	XLogP3	2.5
12409162	Non-hydrogen_Atom_Count	8
6323	Tautomer_Count	1
44392148	Undefined_Atom_Stereo_Count	0
65677	Hydrogen_Bond_Acceptor_Count	3
46907953	Undefined_Atom_Stereo_Count	0
32266	Structure_Complexity	477
71644	Non-hydrogen_Atom_Count	19
2091	XLogP3-AA	6.8
32737	Isotope_Atom_Count	0
57400037	Mono_Isotopic_Weight	434.05538
326240	Structure_Complexity	1080
2734678	Isotope_Atom_Count	0
16441	Undefined_Atom_Stereo_Count	1
3371	Defined_Atom_Stereo_Count	0
12305763	Hydrogen_Bond_Acceptor_Count	9
11583971	Undefined_Atom_Stereo_Count	0
435360	Hydrogen_Bond_Acceptor_Count	7
24901210	Isotope_Atom_Count	0
582898	Structure_Complexity	115
528405	Isotope_Atom_Count	0
4055	Undefined_Atom_Stereo_Count	0
75712	Undefined_Bond_Stereo_Count	0
65667	Exact_Mass	577.32641949
44562468	Isotope_Atom_Count	0
23724817	Isotope_Atom_Count	0
56841980	Isotope_Atom_Count	0
6318	Exact_Mass	155.9978071
15806	Molecular_Weight	225.24
41381	Hydrogen_Bond_Donor_Count	0
82658	Defined_Atom_Stereo_Count	1
107144	Isotope_Atom_Count	0
23620992	TPSA	417
77080	Covalent_Unit_Count	1
68260574	Undefined_Bond_Stereo_Count	0
26185	Molecular_Weight	238.24
3772977	Covalent_Unit_Count	1
36879	Rotatable_Bond_Count	4
8970	Total_Formal_Charge	0
11527661	Rotatable_Bond_Count	7
16133850	Hydrogen_Bond_Donor_Count	60
86890	Undefined_Atom_Stereo_Count	0
57079767	Undefined_Bond_Stereo_Count	0
74255	Undefined_Bond_Stereo_Count	0
5358751	Rotatable_Bond_Count	5
26956	Total_Formal_Charge	0
22841634	Non-hydrogen_Atom_Count	16
5353923	Covalent_Unit_Count	1
83486	Molecular_Weight	354.89
68321730	Hydrogen_Bond_Acceptor_Count	4
3336	Exact_Mass	315.198699802
102201652	Isotope_Atom_Count	0
76464	Exact_Mass	226.07588133
73648	Structure_Complexity	565
65217	Non-hydrogen_Atom_Count	27
74574	Total_Formal_Charge	0
2530251	Undefined_Atom_Stereo_Count	0
25203188	Hydrogen_Bond_Acceptor_Count	12
198236	Undefined_Atom_Stereo_Count	0
17996772	Covalent_Unit_Count	1
96269	Tautomer_Count	1
6702	Undefined_Atom_Stereo_Count	0
4126474	Undefined_Atom_Stereo_Count	0
96430	Defined_Bond_Stereo_Count	0
6917852	Mono_Isotopic_Weight	662.0800515
13027931	Defined_Bond_Stereo_Count	0
133687604	Mono_Isotopic_Weight	408.1703517
71583159	Structure_Complexity	676
21169	TPSA	55.4
1478923	Exact_Mass	265.0076608
3155	Rotatable_Bond_Count	3
3449165	Covalent_Unit_Count	1
53477948	Hydrogen_Bond_Donor_Count	1
2733525	Structure_Complexity	690
69260946	XLogP3-AA	3.6
157042408	Non-hydrogen_Atom_Count	8
5282549	Total_Formal_Charge	0
89760664	Rotatable_Bond_Count	1
39976	Mono_Isotopic_Weight	371.0495256
48346	Exact_Mass	225.1284273
3058	Covalent_Unit_Count	1
62398693	Hydrogen_Bond_Donor_Count	1
20062226	Isotope_Atom_Count	0
3000668	Hydrogen_Bond_Donor_Count	1
56972160	Undefined_Bond_Stereo_Count	0
5367564	Hydrogen_Bond_Donor_Count	0
135408763	Defined_Bond_Stereo_Count	0
3082781	Undefined_Atom_Stereo_Count	0
55303612	Mono_Isotopic_Weight	113.047678466
22137188	Hydrogen_Bond_Acceptor_Count	1
64965	Rotatable_Bond_Count	3
5284566	Isotope_Atom_Count	0
7817	Hydrogen_Bond_Donor_Count	2
20276	Exact_Mass	282.08445
2285	Undefined_Atom_Stereo_Count	0
12536733	Total_Formal_Charge	0
12132	Defined_Atom_Stereo_Count	0
9577585	Hydrogen_Bond_Donor_Count	1
9418	Mono_Isotopic_Weight	331.1451400
46902102	Covalent_Unit_Count	2
6918303	Defined_Atom_Stereo_Count	2
9802	Covalent_Unit_Count	1
9109	Covalent_Unit_Count	1
38072	Structure_Complexity	356
4056	Defined_Atom_Stereo_Count	0
273579	Total_Formal_Charge	0
3732019	TPSA	29.8
160817	Hydrogen_Bond_Donor_Count	1
47328	Defined_Atom_Stereo_Count	1
69744	Isotope_Atom_Count	0
12313170	Isotope_Atom_Count	0
135499520	TPSA	155
21252905	Isotope_Atom_Count	0
131752860	Hydrogen_Bond_Acceptor_Count	1
85743571	Undefined_Bond_Stereo_Count	0
21192814	Covalent_Unit_Count	1
12304613	Mono_Isotopic_Weight	152.120115130
44310721	TPSA	67.2
44571102	Rotatable_Bond_Count	4
10820489	Hydrogen_Bond_Acceptor_Count	1
24987	TPSA	38.8
69275	Undefined_Bond_Stereo_Count	0
61285	Mono_Isotopic_Weight	227.09799996
51803	Molecular_Weight	365.82
209580	Hydrogen_Bond_Acceptor_Count	3
1564	Molecular_Weight	265.71
56983443	Undefined_Atom_Stereo_Count	0
21466942	Hydrogen_Bond_Acceptor_Count	3
99963	Covalent_Unit_Count	1
60196294	Defined_Bond_Stereo_Count	0
60060441	Defined_Atom_Stereo_Count	0
57328385	Defined_Atom_Stereo_Count	0
2088	Tautomer_Count	1
67085	Exact_Mass	422.07428
400182	Structure_Complexity	1330
10196758	Covalent_Unit_Count	1
56841558	Isotope_Atom_Count	0
118984445	Hydrogen_Bond_Acceptor_Count	91
3493	Covalent_Unit_Count	1
3061720	Isotope_Atom_Count	0
724045	Undefined_Atom_Stereo_Count	0
12284	Covalent_Unit_Count	1
5702162	Structure_Complexity	303
12479	TPSA	52.6
9963148	Mono_Isotopic_Weight	987.34845584
56955954	Isotope_Atom_Count	0
12101	Defined_Bond_Stereo_Count	0
123868	Non-hydrogen_Atom_Count	10
91041862	Isotope_Atom_Count	0
66678	Hydrogen_Bond_Donor_Count	1
571973	Exact_Mass	107.048347172
3751373	XLogP3-AA	0.1
1268111	Rotatable_Bond_Count	4
69061828	Undefined_Bond_Stereo_Count	0
49858377	Rotatable_Bond_Count	3
6004	Structure_Complexity	117
22391	TPSA	20.3
31272	XLogP3	1.8
18669	Hydrogen_Bond_Acceptor_Count	1
71900	Covalent_Unit_Count	1
9915861	Non-hydrogen_Atom_Count	41
22174896	Rotatable_Bond_Count	0
1884	Non-hydrogen_Atom_Count	15
80934	Total_Formal_Charge	0
10621	Covalent_Unit_Count	1
11558904	Total_Formal_Charge	0
12303048	Molecular_Weight	897.8
5293	Undefined_Atom_Stereo_Count	4
49866901	TPSA	148
716312	TPSA	63.3
134688015	Hydrogen_Bond_Acceptor_Count	0
752860	Total_Formal_Charge	0
46231556	Defined_Atom_Stereo_Count	0
812477	Hydrogen_Bond_Donor_Count	0
4402	Non-hydrogen_Atom_Count	24
57070769	Defined_Atom_Stereo_Count	8
7772	Hydrogen_Bond_Donor_Count	0
143196	TPSA	44.7
89728	Non-hydrogen_Atom_Count	7
84602	Molecular_Weight	596.5
12365604	Hydrogen_Bond_Acceptor_Count	4
15051325	Covalent_Unit_Count	1
22213349	Defined_Atom_Stereo_Count	0
44263854	Structure_Complexity	525
6918149	Hydrogen_Bond_Acceptor_Count	10
91414	Hydrogen_Bond_Acceptor_Count	0
84614	Molecular_Weight	269.29
66932	Rotatable_Bond_Count	19
65110	Hydrogen_Bond_Acceptor_Count	10
13158	Covalent_Unit_Count	2
55288198	Rotatable_Bond_Count	0
23363597	Non-hydrogen_Atom_Count	10
102861	Hydrogen_Bond_Donor_Count	0
22097456	Covalent_Unit_Count	1
71306478	TPSA	172
9794485	Exact_Mass	185.141578849
123359989	Molecular_Weight	114.10
11768544	Isotope_Atom_Count	0
12375	Covalent_Unit_Count	1
11934	TPSA	0
136429571	Isotope_Atom_Count	0
10964456	Tautomer_Count	3
11668120	Defined_Bond_Stereo_Count	0
1214	Rotatable_Bond_Count	2
30380	TPSA	29.1
88867195	Structure_Complexity	64.8
12539494	Exact_Mass	94.078250319
68529525	Defined_Atom_Stereo_Count	0
498156	Undefined_Bond_Stereo_Count	0
5281082	Molecular_Weight	643.7
92434	Total_Formal_Charge	0
9793696	Undefined_Bond_Stereo_Count	0
5284486	Mono_Isotopic_Weight	284.214015512
54368808	Mono_Isotopic_Weight	109.052763847
60749	Rotatable_Bond_Count	2
53864533	Undefined_Bond_Stereo_Count	0
4122	Hydrogen_Bond_Acceptor_Count	5
7850	XLogP3-AA	1.5
334657	Rotatable_Bond_Count	6
10972974	Rotatable_Bond_Count	12
135565589	Isotope_Atom_Count	0
9457	Non-hydrogen_Atom_Count	12
85695	Undefined_Bond_Stereo_Count	0
87703	TPSA	61.8
25166913	Rotatable_Bond_Count	3
13203	Rotatable_Bond_Count	0
206	Mono_Isotopic_Weight	180.06338810
13927379	Undefined_Bond_Stereo_Count	0
101254454	Defined_Atom_Stereo_Count	0
72200722	Covalent_Unit_Count	1
6438151	Undefined_Atom_Stereo_Count	0
12708563	Mono_Isotopic_Weight	114.104465066
7963	Total_Formal_Charge	0
63959	Defined_Atom_Stereo_Count	0
5367805	Exact_Mass	100.063662883
135409347	Total_Formal_Charge	0
130443213	Total_Formal_Charge	0
91526	Non-hydrogen_Atom_Count	10
72074	Molecular_Weight	296.33
89738	Undefined_Atom_Stereo_Count	0
520217	Mono_Isotopic_Weight	299.07061935
30999	TPSA	41.8
58186	Undefined_Bond_Stereo_Count	0
657201	Tautomer_Count	1
14947250	Undefined_Atom_Stereo_Count	0
851045	Structure_Complexity	402
521158	Undefined_Bond_Stereo_Count	0
398514	Covalent_Unit_Count	1
32241	Hydrogen_Bond_Acceptor_Count	0
72955	Exact_Mass	642.21598512
375481	Isotope_Atom_Count	0
10358218	Hydrogen_Bond_Donor_Count	3
76963834	Defined_Bond_Stereo_Count	0
44571150	Defined_Bond_Stereo_Count	0
7067772	Rotatable_Bond_Count	2
85360	Total_Formal_Charge	0
122121	Undefined_Bond_Stereo_Count	0
89646	Isotope_Atom_Count	0
95391	Hydrogen_Bond_Donor_Count	0
90352849	Defined_Atom_Stereo_Count	0
18684904	Undefined_Bond_Stereo_Count	0
2734179	Tautomer_Count	1
53395259	Rotatable_Bond_Count	8
79885	Undefined_Bond_Stereo_Count	0
10129911	Rotatable_Bond_Count	3
10219163	Undefined_Bond_Stereo_Count	0
68009	TPSA	17.1
4800713	Hydrogen_Bond_Donor_Count	1
272625	Defined_Atom_Stereo_Count	0
54736666	Exact_Mass	934.33559865
16073662	Undefined_Atom_Stereo_Count	0
16296	TPSA	26.3
123618	Rotatable_Bond_Count	4
31898	Structure_Complexity	378
4143	Structure_Complexity	552
70321834	Isotope_Atom_Count	0
5803	TPSA	66.8
4420067	Non-hydrogen_Atom_Count	16
3025803	Defined_Atom_Stereo_Count	0
9884817	Defined_Bond_Stereo_Count	0
91773	Rotatable_Bond_Count	4
4424	Non-hydrogen_Atom_Count	48
11434927	Non-hydrogen_Atom_Count	8
986	Isotope_Atom_Count	0
38035	Mono_Isotopic_Weight	255.961333
44129647	Structure_Complexity	585
160	TPSA	98
87063833	Defined_Atom_Stereo_Count	0
4507	Hydrogen_Bond_Donor_Count	1
17930361	Hydrogen_Bond_Donor_Count	0
8229	Undefined_Bond_Stereo_Count	0
4323	Rotatable_Bond_Count	10
60196294	Isotope_Atom_Count	0
177120	Covalent_Unit_Count	1
17473	Defined_Atom_Stereo_Count	9
79691	Non-hydrogen_Atom_Count	13
60627	Hydrogen_Bond_Donor_Count	1
3062	Mono_Isotopic_Weight	780.42960671
80486638	Isotope_Atom_Count	0
542372	Covalent_Unit_Count	1
71584162	Defined_Atom_Stereo_Count	0
135524781	Defined_Atom_Stereo_Count	0
73707447	Rotatable_Bond_Count	12
595230	TPSA	53.1
9810771	Exact_Mass	758.2146534
15736732	Hydrogen_Bond_Acceptor_Count	4
10606708	Hydrogen_Bond_Donor_Count	2
11953808	Rotatable_Bond_Count	10
49857672	Covalent_Unit_Count	1
33258	Isotope_Atom_Count	0
10217	Hydrogen_Bond_Acceptor_Count	5
9964081	Structure_Complexity	99.8
67493918	Hydrogen_Bond_Acceptor_Count	2
13860601	Mono_Isotopic_Weight	114.104465066
161930	Total_Formal_Charge	0
79069	TPSA	20.2
6063	Molecular_Weight	479.0
53322430	Hydrogen_Bond_Acceptor_Count	6
75786	TPSA	26.3
21306607	TPSA	12
47528	Covalent_Unit_Count	1
13662384	Hydrogen_Bond_Donor_Count	1
57820	Hydrogen_Bond_Donor_Count	2
112	Molecular_Weight	213.06
50993725	Covalent_Unit_Count	1
64054	Defined_Bond_Stereo_Count	0
77137	Structure_Complexity	50
171227	Undefined_Atom_Stereo_Count	0
23238	Mono_Isotopic_Weight	88.088815002
54613184	Hydrogen_Bond_Acceptor_Count	10
9962	Structure_Complexity	106
69550	Total_Formal_Charge	0
10048368	Undefined_Bond_Stereo_Count	0
6363	Covalent_Unit_Count	1
6552009	Hydrogen_Bond_Donor_Count	1
947097	Hydrogen_Bond_Donor_Count	1
123479258	Defined_Bond_Stereo_Count	0
103002	Defined_Atom_Stereo_Count	0
13924394	Molecular_Weight	112.13
9073	Non-hydrogen_Atom_Count	23
4797	Isotope_Atom_Count	0
12933763	Hydrogen_Bond_Acceptor_Count	1
61181	Structure_Complexity	25.5
87203	Covalent_Unit_Count	1
2724259	Undefined_Atom_Stereo_Count	0
58373	Undefined_Bond_Stereo_Count	0
25137901	Undefined_Bond_Stereo_Count	0
5284556	Molecular_Weight	144.60
153939	XLogP3-AA	1.4
5790	Hydrogen_Bond_Donor_Count	3
88342387	Rotatable_Bond_Count	1
521131	Mono_Isotopic_Weight	78.02810645
3032732	Undefined_Bond_Stereo_Count	0
62724	Undefined_Bond_Stereo_Count	0
117072551	Covalent_Unit_Count	1
970	Isotope_Atom_Count	0
1004	Mono_Isotopic_Weight	97.97689557
22086042	Isotope_Atom_Count	0
25094462	Structure_Complexity	913
45085104	Covalent_Unit_Count	1
6444826	Defined_Bond_Stereo_Count	1
11171	TPSA	64.6
67403	Undefined_Bond_Stereo_Count	0
24728635	Hydrogen_Bond_Donor_Count	1
171257	Covalent_Unit_Count	2
23436	Isotope_Atom_Count	0
45086609	Total_Formal_Charge	0
42807	XLogP3	2.9
67465	Hydrogen_Bond_Donor_Count	1
5460482	Structure_Complexity	90.4
10654192	Molecular_Weight	112.13
129696925	Total_Formal_Charge	0
71455276	Hydrogen_Bond_Donor_Count	1
51933	Isotope_Atom_Count	0
79142	Defined_Bond_Stereo_Count	0
5817	Undefined_Atom_Stereo_Count	0
10035228	Tautomer_Count	1
53627428	Undefined_Atom_Stereo_Count	0
12364	Mono_Isotopic_Weight	144.089877630
57341282	Hydrogen_Bond_Acceptor_Count	15
11170867	Tautomer_Count	1000
159871	TPSA	83.6
53183	Rotatable_Bond_Count	6
20067321	Defined_Atom_Stereo_Count	0
2999413	Non-hydrogen_Atom_Count	23
919792	Defined_Bond_Stereo_Count	0
2842	Undefined_Atom_Stereo_Count	5
295042	Molecular_Weight	288.77
24871267	Rotatable_Bond_Count	8
825744	Total_Formal_Charge	0
6445230	Hydrogen_Bond_Donor_Count	2
18899	Mono_Isotopic_Weight	205.110278721
4369445	Hydrogen_Bond_Acceptor_Count	12
51142	XLogP3-AA	8
92727	Hydrogen_Bond_Acceptor_Count	5
57131946	Undefined_Bond_Stereo_Count	3
145458139	Defined_Bond_Stereo_Count	0
5815211	Tautomer_Count	1
13078198	Molecular_Weight	111.14
16224456	Exact_Mass	609.26612791
687044	Defined_Atom_Stereo_Count	1
81909	Total_Formal_Charge	0
16779	Defined_Atom_Stereo_Count	0
3086428	Undefined_Atom_Stereo_Count	1
10176589	Isotope_Atom_Count	0
220175	Defined_Bond_Stereo_Count	0
9847219	Isotope_Atom_Count	0
794	TPSA	83
6917951	Structure_Complexity	659
14057	Defined_Atom_Stereo_Count	0
6437358	Molecular_Weight	625.7
3467	Hydrogen_Bond_Acceptor_Count	12
89456730	Hydrogen_Bond_Donor_Count	1
16401027	Total_Formal_Charge	0
141248885	Defined_Atom_Stereo_Count	0
13199930	Structure_Complexity	181
532	Hydrogen_Bond_Donor_Count	10
11126361	Rotatable_Bond_Count	1
171018	Total_Formal_Charge	0
20587	TPSA	43.7
22392829	Undefined_Bond_Stereo_Count	0
4241466	Mono_Isotopic_Weight	224.177630004
92839	Undefined_Bond_Stereo_Count	0
6322	Mono_Isotopic_Weight	174.11167570
22917	Exact_Mass	293.08004122
129508	TPSA	87.7
21117215	Covalent_Unit_Count	1
102	Molecular_Weight	124.14
129633772	Covalent_Unit_Count	1
21265	Hydrogen_Bond_Acceptor_Count	2
641005	Exact_Mass	116.120115130
23219736	Undefined_Bond_Stereo_Count	0
90829771	Non-hydrogen_Atom_Count	7
6957672	Covalent_Unit_Count	1
1059	Total_Formal_Charge	0
14970970	Structure_Complexity	109
656575	Covalent_Unit_Count	1
28417	Covalent_Unit_Count	1
13721	Tautomer_Count	1
141411141	Rotatable_Bond_Count	0
9287	Rotatable_Bond_Count	2
112322	Molecular_Weight	155.24
10424358	Covalent_Unit_Count	1
73951857	Non-hydrogen_Atom_Count	20
520888	Undefined_Atom_Stereo_Count	0
34755	Isotope_Atom_Count	0
73268	Structure_Complexity	196
494937	Hydrogen_Bond_Donor_Count	5
3237289	TPSA	66.1
6437064	Mono_Isotopic_Weight	688.39751874
12372	XLogP3	2.2
449223	Structure_Complexity	474
5324683	XLogP3-AA	1.3
637146	Hydrogen_Bond_Donor_Count	0
147633433	Hydrogen_Bond_Acceptor_Count	4
2749	Molecular_Weight	207.27
11655069	Rotatable_Bond_Count	7
53808	Mono_Isotopic_Weight	276.0553220
60195902	Total_Formal_Charge	0
107887	Defined_Bond_Stereo_Count	0
138506	Isotope_Atom_Count	0
6034084	Mono_Isotopic_Weight	230.12665706
19104	Hydrogen_Bond_Acceptor_Count	3
27712	Exact_Mass	335.15214353
2794811	Total_Formal_Charge	0
165653078	Covalent_Unit_Count	1
7073	Hydrogen_Bond_Donor_Count	2
15228410	Exact_Mass	114.068079557
55288429	Hydrogen_Bond_Donor_Count	1
12023	Total_Formal_Charge	0
4552	Molecular_Weight	362.23
11594966	Defined_Atom_Stereo_Count	0
75989941	Hydrogen_Bond_Acceptor_Count	1
21989159	Rotatable_Bond_Count	20
153000	Molecular_Weight	99.09
12517392	Undefined_Atom_Stereo_Count	0
20060494	Undefined_Atom_Stereo_Count	1
5881176	Mono_Isotopic_Weight	1062.1330477
2296	XLogP3	4.2
102102472	Non-hydrogen_Atom_Count	33
10945	Defined_Atom_Stereo_Count	0
123659755	Structure_Complexity	72.5
20429663	Rotatable_Bond_Count	1
15213038	Undefined_Atom_Stereo_Count	2
14940	Total_Formal_Charge	0
85570	Covalent_Unit_Count	1
46936435	Undefined_Atom_Stereo_Count	0
14784415	XLogP3-AA	0
91435	Covalent_Unit_Count	1
5595	TPSA	45.3
16722832	Rotatable_Bond_Count	8
67849558	Isotope_Atom_Count	0
281660	Isotope_Atom_Count	0
129229305	XLogP3-AA	1.7
68870	TPSA	95.1
7130	Hydrogen_Bond_Acceptor_Count	1
53320169	Undefined_Atom_Stereo_Count	0
20825	Covalent_Unit_Count	1
3082717	Rotatable_Bond_Count	6
9954739	Covalent_Unit_Count	1
141411141	Hydrogen_Bond_Acceptor_Count	2
57442010	TPSA	116
164576789	Undefined_Bond_Stereo_Count	1
53316418	Exact_Mass	384.99109039
11953947	Exact_Mass	910.5458778
49787020	Exact_Mass	884.52456972
6412	Undefined_Atom_Stereo_Count	0
62949	Exact_Mass	268.11063033
16669	Structure_Complexity	94.7
11589920	Total_Formal_Charge	0
627254	Defined_Bond_Stereo_Count	0
4692	Exact_Mass	248.14124450
7454	Hydrogen_Bond_Donor_Count	0
25355	Hydrogen_Bond_Donor_Count	0
1153439	Structure_Complexity	703
15720326	Rotatable_Bond_Count	3
6914821	Covalent_Unit_Count	1
136364887	Isotope_Atom_Count	0
54239389	Molecular_Weight	114.17
12554265	Isotope_Atom_Count	0
44560807	Defined_Bond_Stereo_Count	0
71713948	Hydrogen_Bond_Donor_Count	2
66071945	Isotope_Atom_Count	0
445114	Tautomer_Count	4
2720	Molecular_Weight	295.7
21021478	Hydrogen_Bond_Donor_Count	1
81485	TPSA	99.9
20188397	Rotatable_Bond_Count	0
138844	Hydrogen_Bond_Donor_Count	1
7068	TPSA	117
3058754	Defined_Bond_Stereo_Count	0
16211197	Undefined_Bond_Stereo_Count	0
13805	Hydrogen_Bond_Acceptor_Count	11
20039106	Non-hydrogen_Atom_Count	7
123867984	Rotatable_Bond_Count	1
105	Hydrogen_Bond_Acceptor_Count	7
78896	Covalent_Unit_Count	1
38252	Non-hydrogen_Atom_Count	15
79345	Isotope_Atom_Count	0
49721	Rotatable_Bond_Count	2
119097554	Total_Formal_Charge	0
154734215	Defined_Bond_Stereo_Count	0
5988	Isotope_Atom_Count	0
565684	Undefined_Bond_Stereo_Count	1
257501	Isotope_Atom_Count	0
79642	Isotope_Atom_Count	0
403821	Mono_Isotopic_Weight	301.08447515
243400	Mono_Isotopic_Weight	164.0604073
24785538	Mono_Isotopic_Weight	461.20878459
103564347	XLogP3-AA	1.6
7989	Rotatable_Bond_Count	3
15787996	Covalent_Unit_Count	2
10184665	Hydrogen_Bond_Acceptor_Count	6
98943	Covalent_Unit_Count	1
241	Non-hydrogen_Atom_Count	6
57504473	Undefined_Atom_Stereo_Count	1
13765439	Exact_Mass	163.03031432
31982	Undefined_Atom_Stereo_Count	0
5905	Undefined_Bond_Stereo_Count	0
447994	Mono_Isotopic_Weight	413.09108001
165367979	Hydrogen_Bond_Donor_Count	12
5288365	Non-hydrogen_Atom_Count	18
534012	Isotope_Atom_Count	0
65417277	Covalent_Unit_Count	1
71587953	Isotope_Atom_Count	0
11585872	Exact_Mass	261.06122053
4594378	Non-hydrogen_Atom_Count	15
8370	Defined_Bond_Stereo_Count	0
142044455	Undefined_Bond_Stereo_Count	0
77922	TPSA	52.3
295763	Covalent_Unit_Count	1
9475	Exact_Mass	131.094628657
10493	TPSA	132
134070	Structure_Complexity	688
3002335	Exact_Mass	511.18959167
15758	Total_Formal_Charge	0
285129	Total_Formal_Charge	0
162059	Structure_Complexity	110
138540	Hydrogen_Bond_Donor_Count	1
60028369	Undefined_Atom_Stereo_Count	0
343119	Hydrogen_Bond_Acceptor_Count	1
9771	TPSA	38.7
47884	Defined_Atom_Stereo_Count	0
7272	TPSA	52.6
65067	Hydrogen_Bond_Acceptor_Count	3
10286834	Non-hydrogen_Atom_Count	25
46783782	Non-hydrogen_Atom_Count	57
9904746	Structure_Complexity	108
70732	Covalent_Unit_Count	1
11115032	Covalent_Unit_Count	1
33728341	Isotope_Atom_Count	0
9955836	XLogP3-AA	0.7
19754	Molecular_Weight	90.19
24946802	Isotope_Atom_Count	0
18962468	Undefined_Bond_Stereo_Count	0
6996	Molecular_Weight	140.56
9934032	Defined_Bond_Stereo_Count	0
413540	Hydrogen_Bond_Acceptor_Count	1
53779803	Structure_Complexity	51.9
71821	Structure_Complexity	276
89356917	Defined_Bond_Stereo_Count	5
129600765	Covalent_Unit_Count	1
57069375	Defined_Atom_Stereo_Count	6
69089	Undefined_Atom_Stereo_Count	0
116	Hydrogen_Bond_Donor_Count	3
60867	XLogP3-AA	2.3
4850	Covalent_Unit_Count	1
12200728	Undefined_Atom_Stereo_Count	0
694634	Undefined_Atom_Stereo_Count	0
3025961	Undefined_Atom_Stereo_Count	0
5365976	Rotatable_Bond_Count	5
12285893	Molecular_Weight	181.16
12310714	Hydrogen_Bond_Donor_Count	3
68741938	Rotatable_Bond_Count	5
16584	Structure_Complexity	129
135409471	Exact_Mass	313.0708448
69610	Structure_Complexity	64
6328594	Undefined_Atom_Stereo_Count	0
10994	TPSA	47.6
91281	Exact_Mass	155.094628657
3489	Covalent_Unit_Count	1
436482	Molecular_Weight	193.28
40361	Defined_Bond_Stereo_Count	0
69370	Defined_Bond_Stereo_Count	0
56635545	Undefined_Bond_Stereo_Count	0
11094960	Structure_Complexity	121
1549018	Molecular_Weight	164.24
152807	Rotatable_Bond_Count	0
138113415	Mono_Isotopic_Weight	765.42004509
24901351	Total_Formal_Charge	0
87438806	Defined_Atom_Stereo_Count	0
80511	Structure_Complexity	21.5
70250408	Tautomer_Count	2
71684552	Covalent_Unit_Count	1
84434	Total_Formal_Charge	0
48659	Isotope_Atom_Count	0
77569	Mono_Isotopic_Weight	214.95819
9813985	Structure_Complexity	327
136219151	Hydrogen_Bond_Acceptor_Count	3
63016	Non-hydrogen_Atom_Count	31
101944071	Molecular_Weight	346.2
13922	Defined_Bond_Stereo_Count	0
15973	Defined_Atom_Stereo_Count	0
165363475	Defined_Atom_Stereo_Count	8
76966485	Isotope_Atom_Count	0
12669582	XLogP3-AA	0.7
154209129	Defined_Atom_Stereo_Count	0
10132209	Hydrogen_Bond_Donor_Count	1
6433164	Tautomer_Count	1
36979	Undefined_Bond_Stereo_Count	0
68009554	Hydrogen_Bond_Donor_Count	8
60336	Non-hydrogen_Atom_Count	20
521	TPSA	409
151173	Molecular_Weight	213.19
15683	Covalent_Unit_Count	1
77987229	Covalent_Unit_Count	1
11405875	Defined_Atom_Stereo_Count	0
527855	Total_Formal_Charge	0
6096207	Structure_Complexity	2540
5004	Isotope_Atom_Count	0
704232	Defined_Atom_Stereo_Count	0
53824461	Covalent_Unit_Count	1
244809	Undefined_Bond_Stereo_Count	0
62823	TPSA	55
544356	Molecular_Weight	274.4
91169276	Hydrogen_Bond_Acceptor_Count	3
63013	Mono_Isotopic_Weight	299.1652068
220820	Hydrogen_Bond_Donor_Count	0
6454823	Isotope_Atom_Count	0
170286	Hydrogen_Bond_Acceptor_Count	9
2723650	Isotope_Atom_Count	0
69337	Tautomer_Count	5
6010	Hydrogen_Bond_Donor_Count	1
16130571	Tautomer_Count	1001
5284580	Undefined_Atom_Stereo_Count	1
6420071	Covalent_Unit_Count	2
68783	Covalent_Unit_Count	1
5749	Rotatable_Bond_Count	9
14307	Non-hydrogen_Atom_Count	11
77191	Covalent_Unit_Count	1
3803614	Defined_Atom_Stereo_Count	0
69140538	Defined_Atom_Stereo_Count	0
11073376	Total_Formal_Charge	0
9961766	Hydrogen_Bond_Acceptor_Count	9
84647732	Undefined_Atom_Stereo_Count	1
543112	Total_Formal_Charge	0
45359105	Molecular_Weight	306.37
4712993	Exact_Mass	330.05282342
3289	Molecular_Weight	242.3
68807700	Hydrogen_Bond_Donor_Count	2
7380	Total_Formal_Charge	0
68942	Mono_Isotopic_Weight	240.05865769
10313118	Defined_Atom_Stereo_Count	0
65622	Total_Formal_Charge	0
12811926	Total_Formal_Charge	0
158389	Undefined_Bond_Stereo_Count	0
6540277	Undefined_Atom_Stereo_Count	0
375860	TPSA	47.6
128423	Mono_Isotopic_Weight	144.06088618
8692	Undefined_Atom_Stereo_Count	1
108227	Hydrogen_Bond_Donor_Count	2
77232	Structure_Complexity	85.7
6437841	XLogP3-AA	6.1
5311032	Exact_Mass	641.37884898
185498	Structure_Complexity	0
24917008	Defined_Atom_Stereo_Count	4
57621	Molecular_Weight	403.9
81836	Hydrogen_Bond_Donor_Count	0
79998	Total_Formal_Charge	0
20361855	Exact_Mass	102.079312947
59296081	Total_Formal_Charge	0
39628	Tautomer_Count	1
2969	Hydrogen_Bond_Donor_Count	1
529	Non-hydrogen_Atom_Count	9
2583694	Undefined_Bond_Stereo_Count	0
10496	Structure_Complexity	357
71081	Isotope_Atom_Count	0
11355449	Exact_Mass	103.099714038
18422690	Mono_Isotopic_Weight	110.048012819
2947	Rotatable_Bond_Count	0
44560808	Mono_Isotopic_Weight	410.14126175
92268	Rotatable_Bond_Count	0
67254077	Undefined_Atom_Stereo_Count	0
10271170	Hydrogen_Bond_Donor_Count	2
240373	Mono_Isotopic_Weight	282.07866149
288549	Hydrogen_Bond_Donor_Count	0
25110841	Rotatable_Bond_Count	9
67615455	Defined_Bond_Stereo_Count	0
342681	Mono_Isotopic_Weight	392.19071386
11717001	Total_Formal_Charge	0
5610	Mono_Isotopic_Weight	137.084063974
13618050	Defined_Bond_Stereo_Count	0
11972	Defined_Atom_Stereo_Count	0
5353853	Non-hydrogen_Atom_Count	26
10659	Structure_Complexity	243
3874	TPSA	188
11304	Total_Formal_Charge	0
91826865	Non-hydrogen_Atom_Count	12
10197660	Defined_Atom_Stereo_Count	0
11534927	XLogP3-AA	2.5
57061367	Total_Formal_Charge	0
9919910	Non-hydrogen_Atom_Count	72
20111	Rotatable_Bond_Count	7
86287410	XLogP3-AA	2.8
6366726	Mono_Isotopic_Weight	368.18100131
25674	Isotope_Atom_Count	0
439183	Defined_Bond_Stereo_Count	0
5074	Mono_Isotopic_Weight	477.16863993
83478501	Exact_Mass	101.084063974
24087	Hydrogen_Bond_Acceptor_Count	2
91657	Defined_Atom_Stereo_Count	0
5289284	Isotope_Atom_Count	0
79811	Exact_Mass	159.0199395
123979022	Isotope_Atom_Count	0
3483736	TPSA	27.6
21946307	Non-hydrogen_Atom_Count	7
59791	Covalent_Unit_Count	1
2090	Hydrogen_Bond_Donor_Count	6
95566291	XLogP3-AA	5.1
133613144	Defined_Atom_Stereo_Count	20
58270057	Undefined_Bond_Stereo_Count	0
6047	Structure_Complexity	209
64054	Isotope_Atom_Count	0
129858712	Isotope_Atom_Count	0
12431567	Exact_Mass	98.073164938
13250495	Undefined_Bond_Stereo_Count	0
72149	Mono_Isotopic_Weight	382.18925731
717663	Mono_Isotopic_Weight	281.116426730
14242109	Mono_Isotopic_Weight	114.104465066
16040270	Non-hydrogen_Atom_Count	14
4582877	XLogP3-AA	0.8
20848918	Molecular_Weight	385.03
94314	TPSA	50.6
71008	XLogP3-AA	3
55284046	Defined_Bond_Stereo_Count	0
60561	Rotatable_Bond_Count	11
14373	Total_Formal_Charge	0
82693	Undefined_Bond_Stereo_Count	0
65246	Total_Formal_Charge	0
39528	Non-hydrogen_Atom_Count	19
3000926	Undefined_Bond_Stereo_Count	0
436515	Rotatable_Bond_Count	5
784	Non-hydrogen_Atom_Count	2
20333380	Hydrogen_Bond_Acceptor_Count	4
92023654	Hydrogen_Bond_Donor_Count	7
35365	Defined_Bond_Stereo_Count	0
57721	Molecular_Weight	485.5
6021893	Undefined_Atom_Stereo_Count	0
33377	Hydrogen_Bond_Acceptor_Count	2
7098617	Mono_Isotopic_Weight	342.11621151
317062	Covalent_Unit_Count	1
36119	Covalent_Unit_Count	1
165995893	Isotope_Atom_Count	0
2913	Covalent_Unit_Count	1
642197	TPSA	0
31255	Covalent_Unit_Count	2
154342	XLogP3	2.9
21616978	Isotope_Atom_Count	0
56626310	Exact_Mass	226.110613074
299882	Hydrogen_Bond_Acceptor_Count	0
22208	Total_Formal_Charge	0
3034394	Exact_Mass	290.260965704
70734	TPSA	58.7
3000715	Rotatable_Bond_Count	4
543879	Tautomer_Count	3
13728	Hydrogen_Bond_Donor_Count	0
24848402	Non-hydrogen_Atom_Count	21
80421	Molecular_Weight	84.12
85768913	Hydrogen_Bond_Donor_Count	0
657251	Exact_Mass	388.0987820
40185	Covalent_Unit_Count	1
547995	Non-hydrogen_Atom_Count	7
9457	Defined_Atom_Stereo_Count	2
3570	Mono_Isotopic_Weight	353.116426730
16213460	Defined_Atom_Stereo_Count	0
16019977	Defined_Atom_Stereo_Count	0
28281	Defined_Bond_Stereo_Count	0
4567175	Exact_Mass	318.18444672
6976	Undefined_Bond_Stereo_Count	0
53317194	Hydrogen_Bond_Donor_Count	2
22420	Mono_Isotopic_Weight	278.0353848
9331	Defined_Atom_Stereo_Count	0
3777	Covalent_Unit_Count	1
93171	Hydrogen_Bond_Acceptor_Count	0
22224184	Hydrogen_Bond_Donor_Count	0
15072854	Molecular_Weight	113.16
10953454	Hydrogen_Bond_Donor_Count	0
25552	Undefined_Bond_Stereo_Count	0
4555	XLogP3-AA	5.3
265	Undefined_Bond_Stereo_Count	0
20226563	Defined_Atom_Stereo_Count	0
9938420	Mono_Isotopic_Weight	590.23497872
74219	Total_Formal_Charge	0
10898648	Covalent_Unit_Count	1
135403832	XLogP3-AA	1.9
16220118	Exact_Mass	313.0481653
9218	Hydrogen_Bond_Acceptor_Count	3
6525	Defined_Atom_Stereo_Count	0
12463	Total_Formal_Charge	0
445408	Hydrogen_Bond_Acceptor_Count	6
44792	Hydrogen_Bond_Donor_Count	2
19736124	TPSA	41.5
15577855	Mono_Isotopic_Weight	110.073164938
65533	Hydrogen_Bond_Donor_Count	6
637	Defined_Bond_Stereo_Count	0
61753	Undefined_Atom_Stereo_Count	0
96604	Mono_Isotopic_Weight	296.13069707
162404783	Total_Formal_Charge	0
32068	XLogP3	3.3
12214987	Hydrogen_Bond_Donor_Count	0
64655	Undefined_Bond_Stereo_Count	0
75538	Total_Formal_Charge	0
142262	Defined_Bond_Stereo_Count	0
130589021	Rotatable_Bond_Count	2
5488036	Hydrogen_Bond_Acceptor_Count	11
16395512	Hydrogen_Bond_Acceptor_Count	16
9883002	Covalent_Unit_Count	1
3077	Total_Formal_Charge	0
2734931	Molecular_Weight	156.06
398743	TPSA	9.7
25195346	Undefined_Atom_Stereo_Count	0
704528	XLogP3-AA	1.5
101694728	Mono_Isotopic_Weight	450.01256932
61868	XLogP3-AA	0.6
3539116	Defined_Atom_Stereo_Count	0
97725	Total_Formal_Charge	0
65388	TPSA	68.4
123133871	Covalent_Unit_Count	1
57481197	Total_Formal_Charge	0
92043424	Structure_Complexity	3290
66414	Defined_Bond_Stereo_Count	0
91746262	Exact_Mass	342.11621151
86488	Hydrogen_Bond_Donor_Count	2
9908684	Tautomer_Count	1
20138	Covalent_Unit_Count	1
11582651	Undefined_Atom_Stereo_Count	0
24191	Isotope_Atom_Count	0
78123	Structure_Complexity	177
53426560	Defined_Bond_Stereo_Count	0
6184	Covalent_Unit_Count	1
67535	Non-hydrogen_Atom_Count	14
79656	Defined_Bond_Stereo_Count	0
13601826	Defined_Atom_Stereo_Count	0
56283	Molecular_Weight	269.21
137944176	Mono_Isotopic_Weight	99.068413911
67893	Structure_Complexity	75
25249	Rotatable_Bond_Count	0
21720742	Undefined_Bond_Stereo_Count	0
24808640	Hydrogen_Bond_Donor_Count	0
135209752	Non-hydrogen_Atom_Count	8
517327	Defined_Bond_Stereo_Count	0
71411033	Rotatable_Bond_Count	1
136253316	TPSA	190
67805120	TPSA	0
537142	Defined_Atom_Stereo_Count	0
78576	Molecular_Weight	189.26
89602862	Defined_Bond_Stereo_Count	0
40240	Non-hydrogen_Atom_Count	29
67901	Rotatable_Bond_Count	0
5311	Non-hydrogen_Atom_Count	19
164	Defined_Bond_Stereo_Count	0
9589475	Molecular_Weight	522.6
70312242	Covalent_Unit_Count	1
16050641	Hydrogen_Bond_Acceptor_Count	4
121596705	Defined_Bond_Stereo_Count	0
36185	Undefined_Atom_Stereo_Count	0
94684	TPSA	12.5
40926	Total_Formal_Charge	0
9568700	Hydrogen_Bond_Acceptor_Count	5
71306834	Isotope_Atom_Count	0
12835187	XLogP3-AA	0.2
98626	Undefined_Bond_Stereo_Count	0
102515443	Covalent_Unit_Count	1
694743	Undefined_Bond_Stereo_Count	0
1163242	Non-hydrogen_Atom_Count	26
61585	XLogP3-AA	5
21643653	Isotope_Atom_Count	0
84393	TPSA	25.3
162148	Total_Formal_Charge	0
52943333	Exact_Mass	421.14133951
84647731	TPSA	29.5
5984	Isotope_Atom_Count	0
9837916	Defined_Atom_Stereo_Count	1
6507	Molecular_Weight	360.4
54375073	Covalent_Unit_Count	1
18405	TPSA	52.6
134767951	Undefined_Bond_Stereo_Count	0
961192	Defined_Bond_Stereo_Count	0
13284157	Non-hydrogen_Atom_Count	8
31824	Non-hydrogen_Atom_Count	19
364836	Structure_Complexity	117
91298647	Isotope_Atom_Count	0
13378967	Hydrogen_Bond_Donor_Count	0
24848345	Molecular_Weight	234.31
145627882	TPSA	21.6
24883432	Mono_Isotopic_Weight	446.129461
73216	TPSA	93.4
12209	Undefined_Atom_Stereo_Count	1
151476	Defined_Bond_Stereo_Count	0
606430	Mono_Isotopic_Weight	208.109944368
121098	Covalent_Unit_Count	1
226147	Exact_Mass	242.094294304
83904778	TPSA	26.3
148429079	Hydrogen_Bond_Donor_Count	0
5249	Rotatable_Bond_Count	12
71751164	Isotope_Atom_Count	0
96670	Mono_Isotopic_Weight	294.125594432
493	Mono_Isotopic_Weight	715.17278544
5224206	Molecular_Weight	91.13
13536814	Tautomer_Count	1
51	Hydrogen_Bond_Acceptor_Count	5
4989215	TPSA	14.1
398741	Exact_Mass	237.08406
78607	Undefined_Bond_Stereo_Count	0
96706	Exact_Mass	112.027277375
14656	Tautomer_Count	2
67258371	Isotope_Atom_Count	0
24685	Hydrogen_Bond_Acceptor_Count	2
121235738	Isotope_Atom_Count	0
62143	Undefined_Atom_Stereo_Count	0
57391458	Undefined_Bond_Stereo_Count	0
21339024	Exact_Mass	97.089149355
26556	TPSA	24.1
10061651	Total_Formal_Charge	0
86399	Structure_Complexity	191
41881	Rotatable_Bond_Count	11
60961	Defined_Bond_Stereo_Count	0
70545463	Molecular_Weight	95.14
122	Total_Formal_Charge	0
12755803	Rotatable_Bond_Count	3
155292829	TPSA	365
13011	Non-hydrogen_Atom_Count	9
95198	Structure_Complexity	212
11001318	Exact_Mass	306.9802985
100439	Mono_Isotopic_Weight	190.04907545
66171	Rotatable_Bond_Count	1
10341	TPSA	26.3
12555	Isotope_Atom_Count	0
84661	Rotatable_Bond_Count	2
604152	Molecular_Weight	201.26
6433095	Non-hydrogen_Atom_Count	41
7175	Molecular_Weight	180.20
54736486	Exact_Mass	310.12050905
89590	Exact_Mass	164.083729621
23432895	Non-hydrogen_Atom_Count	8
4811	Mono_Isotopic_Weight	275.16337692
19266	Isotope_Atom_Count	0
6593	Tautomer_Count	1
3021	Exact_Mass	451.26421316
59999517	Mono_Isotopic_Weight	113.047678466
1549521	Defined_Bond_Stereo_Count	1
69288	Non-hydrogen_Atom_Count	18
85989631	XLogP3-AA	2.1
241419	Hydrogen_Bond_Acceptor_Count	4
67631	Isotope_Atom_Count	0
5282796	Covalent_Unit_Count	1
9961939	Mono_Isotopic_Weight	726.07603
5311014	Molecular_Weight	1422.7
10949861	Undefined_Bond_Stereo_Count	0
10349	Rotatable_Bond_Count	3
118253852	Isotope_Atom_Count	0
5479530	Exact_Mass	554.04605846
89844	Undefined_Bond_Stereo_Count	0
6419921	Tautomer_Count	1
174251	Rotatable_Bond_Count	19
56777521	Rotatable_Bond_Count	1
673473	Mono_Isotopic_Weight	303.14705815
3415	Structure_Complexity	120
405298	Mono_Isotopic_Weight	366.08766640
73619	Non-hydrogen_Atom_Count	47
5297	Molecular_Weight	581.6
6432238	Structure_Complexity	2.8
10474	Hydrogen_Bond_Donor_Count	0
167693	Non-hydrogen_Atom_Count	7
6455792	Non-hydrogen_Atom_Count	8
19778484	Molecular_Weight	112.13
12507	Covalent_Unit_Count	1
84063981	Structure_Complexity	124
94011387	Hydrogen_Bond_Donor_Count	8
107983	Molecular_Weight	144.12
58233	Rotatable_Bond_Count	5
13140652	Undefined_Bond_Stereo_Count	0
22291085	Non-hydrogen_Atom_Count	39
76337	Non-hydrogen_Atom_Count	9
85824359	Exact_Mass	108.093900383
18947655	Exact_Mass	98.048012819
9874874	Defined_Bond_Stereo_Count	0
11126230	Defined_Atom_Stereo_Count	0
21313738	Undefined_Atom_Stereo_Count	0
20056625	Structure_Complexity	614
71140	TPSA	47.3
8264	Total_Formal_Charge	0
5324489	Molecular_Weight	100.16
18616	Mono_Isotopic_Weight	186.905233
969462	Isotope_Atom_Count	0
68944676	Covalent_Unit_Count	1
12837	Structure_Complexity	185
12312963	Exact_Mass	94.053098200
2915	Molecular_Weight	152.3
15550385	Exact_Mass	276.14739250
5330175	TPSA	68.7
436533	Defined_Bond_Stereo_Count	0
4634922	Covalent_Unit_Count	1
319701	Hydrogen_Bond_Acceptor_Count	5
28905	Total_Formal_Charge	0
23677058	Covalent_Unit_Count	2
10886	Isotope_Atom_Count	0
45085022	Hydrogen_Bond_Donor_Count	1
1221	TPSA	102
15580	Non-hydrogen_Atom_Count	17
145188444	Structure_Complexity	107
1548943	Mono_Isotopic_Weight	305.19909372
12546079	TPSA	27
5271570	Exact_Mass	228.13615911
12502948	Exact_Mass	114.104465066
84647647	Defined_Atom_Stereo_Count	0
61124202	Mono_Isotopic_Weight	113.058911855
15830	Non-hydrogen_Atom_Count	10
71580	Mono_Isotopic_Weight	247.0975211
57642301	Covalent_Unit_Count	1
41376	Tautomer_Count	12
148816436	Defined_Atom_Stereo_Count	0
12077828	Molecular_Weight	348.4
44139752	Non-hydrogen_Atom_Count	17
540327	Isotope_Atom_Count	0
154417	Non-hydrogen_Atom_Count	21
5026	TPSA	123
5355026	Defined_Atom_Stereo_Count	0
3229	TPSA	85.8
31917	XLogP3-AA	2.2
9831659	Non-hydrogen_Atom_Count	52
15951489	Isotope_Atom_Count	0
21465770	Isotope_Atom_Count	0
15558407	Hydrogen_Bond_Donor_Count	5
22203	Hydrogen_Bond_Acceptor_Count	5
44310743	Hydrogen_Bond_Acceptor_Count	4
6321414	Rotatable_Bond_Count	13
92162	Covalent_Unit_Count	1
628397	Non-hydrogen_Atom_Count	21
13009112	XLogP3-AA	0.5
2863	Undefined_Atom_Stereo_Count	6
6505	Rotatable_Bond_Count	19
15559064	Isotope_Atom_Count	0
518964	Structure_Complexity	37.4
10198055	Undefined_Bond_Stereo_Count	0
56949517	Structure_Complexity	643
2000	XLogP3	0.6
59296099	Covalent_Unit_Count	1
19016756	Undefined_Atom_Stereo_Count	0
15004	Rotatable_Bond_Count	11
17922642	Hydrogen_Bond_Acceptor_Count	1
4424	Total_Formal_Charge	0
5273569	Defined_Atom_Stereo_Count	0
688667	Exact_Mass	282.08920892
71567	Undefined_Atom_Stereo_Count	0
6943	Undefined_Atom_Stereo_Count	0
19965	Undefined_Atom_Stereo_Count	0
11447	XLogP3-AA	4
16739650	Molecular_Weight	372.5
15189029	Isotope_Atom_Count	0
4842	TPSA	40.6
1101318	Hydrogen_Bond_Acceptor_Count	7
88365	XLogP3	3.9
33360	XLogP3-AA	2.7
70685175	Structure_Complexity	683
84440	Total_Formal_Charge	0
9107	Non-hydrogen_Atom_Count	24
13961743	Defined_Bond_Stereo_Count	0
3521	Total_Formal_Charge	0
11372270	Rotatable_Bond_Count	5
14532111	Non-hydrogen_Atom_Count	7
101815861	Defined_Atom_Stereo_Count	0
11587584	TPSA	71.6
91501507	Hydrogen_Bond_Acceptor_Count	0
18999023	Hydrogen_Bond_Donor_Count	1
9625	Covalent_Unit_Count	1
551191	Undefined_Atom_Stereo_Count	1
351917	Isotope_Atom_Count	0
25116186	Isotope_Atom_Count	0
24180714	Defined_Bond_Stereo_Count	0
9861	Exact_Mass	288.28284396
118658477	Mono_Isotopic_Weight	111.068413911
130541995	Hydrogen_Bond_Donor_Count	0
21655019	XLogP3-AA	0
6438373	Isotope_Atom_Count	0
134688371	Undefined_Atom_Stereo_Count	0
115817	Non-hydrogen_Atom_Count	25
12202791	Isotope_Atom_Count	0
57398254	XLogP3-AA	3.1
7019	Covalent_Unit_Count	1
20265292	Mono_Isotopic_Weight	114.068079557
135403828	Mono_Isotopic_Weight	473.16589610
908	Defined_Bond_Stereo_Count	0
15660	Exact_Mass	210.209598838
11255	Hydrogen_Bond_Donor_Count	0
67811115	Non-hydrogen_Atom_Count	8
12626561	Total_Formal_Charge	0
4762	Defined_Atom_Stereo_Count	0
4793	Defined_Atom_Stereo_Count	0
6918589	Exact_Mass	853.35208467
15024257	Isotope_Atom_Count	0
145705978	Non-hydrogen_Atom_Count	76
12962854	Rotatable_Bond_Count	4
8425	XLogP3	4
4630913	Defined_Bond_Stereo_Count	0
14017	Covalent_Unit_Count	1
11693896	Covalent_Unit_Count	1
110789	TPSA	20.2
83967	Exact_Mass	312.07799279
20087	Isotope_Atom_Count	0
573598	Undefined_Atom_Stereo_Count	0
2408	Hydrogen_Bond_Donor_Count	1
45040472	Defined_Bond_Stereo_Count	0
21709689	TPSA	0
17954	Covalent_Unit_Count	1
4469994	Hydrogen_Bond_Acceptor_Count	5
16735405	Defined_Bond_Stereo_Count	0
3052772	Covalent_Unit_Count	1
5808883	Exact_Mass	872.49220697
65594	Undefined_Atom_Stereo_Count	1
68843	Hydrogen_Bond_Donor_Count	1
10324367	Covalent_Unit_Count	1
85489	XLogP3-AA	13.9
43471	Rotatable_Bond_Count	1
13610	Hydrogen_Bond_Acceptor_Count	2
94483	Covalent_Unit_Count	1
103453154	Mono_Isotopic_Weight	112.052429494
69251960	Isotope_Atom_Count	0
11282394	Hydrogen_Bond_Acceptor_Count	11
92829	Rotatable_Bond_Count	5
8142	Structure_Complexity	43.8
54315893	Defined_Atom_Stereo_Count	0
53322382	Defined_Bond_Stereo_Count	0
59952	Undefined_Atom_Stereo_Count	0
78284	Defined_Bond_Stereo_Count	0
38302	Undefined_Bond_Stereo_Count	0
22220896	Defined_Atom_Stereo_Count	0
53884785	TPSA	38.7
62418	TPSA	63.3
118596336	Non-hydrogen_Atom_Count	37
42070	Hydrogen_Bond_Acceptor_Count	2
10620213	TPSA	104
19876500	Isotope_Atom_Count	0
9322	Exact_Mass	57.97514518
38141	Molecular_Weight	371.9
12865495	Defined_Bond_Stereo_Count	0
13279677	Undefined_Atom_Stereo_Count	0
5282037	TPSA	123
157787142	Defined_Bond_Stereo_Count	0
69561	Total_Formal_Charge	0
81226	Exact_Mass	119.02185764
71643	Covalent_Unit_Count	1
23649154	Defined_Bond_Stereo_Count	0
3359	Exact_Mass	666.36822473
15877745	Total_Formal_Charge	0
44422352	Defined_Bond_Stereo_Count	0
133126830	TPSA	154
5315472	Total_Formal_Charge	0
3033856	Molecular_Weight	320.42
3452	Molecular_Weight	127.14
99342	Exact_Mass	358.240898965
142119910	Exact_Mass	180.06338810
19920	Covalent_Unit_Count	1
1473603	Isotope_Atom_Count	0
5184	Undefined_Atom_Stereo_Count	5
174076	Isotope_Atom_Count	0
11519741	Undefined_Atom_Stereo_Count	0
151994	Undefined_Atom_Stereo_Count	0
86181474	Defined_Bond_Stereo_Count	0
20015	Total_Formal_Charge	0
11313946	Exact_Mass	344.13069707
186148	Undefined_Atom_Stereo_Count	0
643447	Covalent_Unit_Count	1
163050683	Total_Formal_Charge	0
60154330	Covalent_Unit_Count	1
2734686	Isotope_Atom_Count	0
3003191	Molecular_Weight	324.4
9641	Non-hydrogen_Atom_Count	14
60904070	Hydrogen_Bond_Donor_Count	0
20759	XLogP3-AA	0.5
55483	Undefined_Atom_Stereo_Count	0
4484	Hydrogen_Bond_Donor_Count	4
19979685	Molecular_Weight	112.13
14892	Covalent_Unit_Count	2
15980171	Hydrogen_Bond_Donor_Count	3
5281793	Isotope_Atom_Count	0
136703	Molecular_Weight	114.10
66002	Defined_Bond_Stereo_Count	0
57403506	Molecular_Weight	435.4
15522	Undefined_Atom_Stereo_Count	2
15710945	Total_Formal_Charge	0
59742	Hydrogen_Bond_Acceptor_Count	7
45784923	Covalent_Unit_Count	1
1549517	Hydrogen_Bond_Acceptor_Count	1
139356	Undefined_Atom_Stereo_Count	1
5362	Total_Formal_Charge	0
58154	Rotatable_Bond_Count	4
5281088	Undefined_Atom_Stereo_Count	0
10202381	Covalent_Unit_Count	1
72196	Undefined_Bond_Stereo_Count	0
137701808	Exact_Mass	639.37711765
135398740	Isotope_Atom_Count	0
29373	Undefined_Atom_Stereo_Count	0
49862688	Defined_Atom_Stereo_Count	0
70447	Undefined_Atom_Stereo_Count	0
33256	Undefined_Bond_Stereo_Count	0
5311181	Isotope_Atom_Count	0
9578243	Rotatable_Bond_Count	6
26330	Defined_Bond_Stereo_Count	0
64302	Hydrogen_Bond_Donor_Count	2
5363527	Exact_Mass	226.193280068
453326	Exact_Mass	288.0777887
76564	Exact_Mass	338.17380
72200352	TPSA	90.8
35784	TPSA	20.2
3649	Tautomer_Count	1
72200674	Undefined_Bond_Stereo_Count	0
55298738	Non-hydrogen_Atom_Count	8
5462814	Non-hydrogen_Atom_Count	8
2724995	Defined_Bond_Stereo_Count	0
1727	Undefined_Bond_Stereo_Count	0
36829	Exact_Mass	169.956028
4019563	Exact_Mass	419.97220756
86063	Rotatable_Bond_Count	2
5092	Structure_Complexity	341
559	TPSA	81.5
796414	Hydrogen_Bond_Acceptor_Count	3
71070	Hydrogen_Bond_Acceptor_Count	4
13285795	Total_Formal_Charge	0
143647928	Structure_Complexity	107
57403932	Total_Formal_Charge	0
17407	Undefined_Bond_Stereo_Count	0
21584701	Tautomer_Count	1
55289397	Non-hydrogen_Atom_Count	7
7293	Isotope_Atom_Count	0
20693488	Isotope_Atom_Count	0
60052896	Exact_Mass	180.06338810
131676399	Exact_Mass	378.13146766
318	Undefined_Bond_Stereo_Count	1
139759	Exact_Mass	14.03200687
53320156	Hydrogen_Bond_Acceptor_Count	5
55840	TPSA	67.6
12285886	Rotatable_Bond_Count	1
915	Non-hydrogen_Atom_Count	20
6440175	Molecular_Weight	585.7
37459	TPSA	23.5
137609	Covalent_Unit_Count	1
12271349	Exact_Mass	110.073164938
3690	Rotatable_Bond_Count	5
651720	Defined_Atom_Stereo_Count	0
25074469	Mono_Isotopic_Weight	1698.72556297
12096001	Covalent_Unit_Count	1
57229732	Exact_Mass	116.058577502
4008	TPSA	117
82593536	Mono_Isotopic_Weight	102.068079557
100927764	Structure_Complexity	438
17921988	Exact_Mass	114.031694049
37918	Rotatable_Bond_Count	4
140196487	Molecular_Weight	109.13
51003661	Total_Formal_Charge	0
442993	Rotatable_Bond_Count	5
138059742	Undefined_Bond_Stereo_Count	0
73918	Molecular_Weight	154.25
3014096	Exact_Mass	139.01953253
68225733	Total_Formal_Charge	0
448653	Non-hydrogen_Atom_Count	54
129909860	Undefined_Atom_Stereo_Count	0
12563179	Structure_Complexity	156
63826	Undefined_Atom_Stereo_Count	0
58604354	Undefined_Bond_Stereo_Count	0
14454747	XLogP3-AA	1.7
69571381	Exact_Mass	114.031694049
68781	Exact_Mass	416.18350323
68834	TPSA	92.1
98175	TPSA	27.7
21655019	Undefined_Bond_Stereo_Count	0
5280450	Total_Formal_Charge	0
443753	Tautomer_Count	3
5287958	Covalent_Unit_Count	1
12676	Rotatable_Bond_Count	2
20485709	Mono_Isotopic_Weight	109.052763847
97105	Defined_Bond_Stereo_Count	0
9543169	Hydrogen_Bond_Donor_Count	9
12132667	Isotope_Atom_Count	0
8359	Molecular_Weight	163.13
17920260	XLogP3-AA	1.5
12359154	Total_Formal_Charge	0
122172547	Non-hydrogen_Atom_Count	85
5754	Defined_Bond_Stereo_Count	0
14323	Tautomer_Count	3
56682314	Exact_Mass	422.12127520
58501	Undefined_Atom_Stereo_Count	0
10236005	Defined_Atom_Stereo_Count	1
5417	Rotatable_Bond_Count	4
2405	Non-hydrogen_Atom_Count	23
62706	Hydrogen_Bond_Donor_Count	0
57624328	Molecular_Weight	116.11
23691042	Tautomer_Count	1
445561	Structure_Complexity	1140
9793705	Structure_Complexity	78.1
21202	Undefined_Atom_Stereo_Count	0
13019073	Undefined_Bond_Stereo_Count	0
128423	Total_Formal_Charge	0
99327	Mono_Isotopic_Weight	319.08782920
712421	Undefined_Atom_Stereo_Count	0
2673	Covalent_Unit_Count	1
5282706	Non-hydrogen_Atom_Count	7
147614	Hydrogen_Bond_Acceptor_Count	3
71563	Defined_Bond_Stereo_Count	0
101755686	Exact_Mass	977.52483213
15778463	TPSA	26.3
74406	Structure_Complexity	147
10080320	Undefined_Bond_Stereo_Count	0
81110	Hydrogen_Bond_Donor_Count	0
8406	Non-hydrogen_Atom_Count	11
8927	Non-hydrogen_Atom_Count	19
521204	Mono_Isotopic_Weight	347.224914549
57395447	Rotatable_Bond_Count	10
60618	Mono_Isotopic_Weight	349.16779360
59823	Undefined_Atom_Stereo_Count	1
25008765	Total_Formal_Charge	0
2367	Molecular_Weight	472.4
3230	TPSA	74.6
33255	Hydrogen_Bond_Donor_Count	2
439524	Hydrogen_Bond_Donor_Count	2
1715135	Defined_Bond_Stereo_Count	1
15707	Defined_Bond_Stereo_Count	0
117659387	Undefined_Atom_Stereo_Count	2
154132	TPSA	58.2
44031	TPSA	16.6
5783	Non-hydrogen_Atom_Count	12
10307849	Isotope_Atom_Count	0
345367	Non-hydrogen_Atom_Count	8
70722	Structure_Complexity	114
101739878	Rotatable_Bond_Count	1
69488	Defined_Atom_Stereo_Count	0
6436055	Covalent_Unit_Count	1
628370	Undefined_Atom_Stereo_Count	0
136511	Molecular_Weight	108.14
101080369	Non-hydrogen_Atom_Count	3
71825	Defined_Bond_Stereo_Count	0
90977886	Structure_Complexity	96.6
347477	Non-hydrogen_Atom_Count	8
86101	Structure_Complexity	369
5388906	Rotatable_Bond_Count	8
196672	Defined_Atom_Stereo_Count	5
23687325	Defined_Atom_Stereo_Count	4
627774	Hydrogen_Bond_Acceptor_Count	1
101630689	Defined_Bond_Stereo_Count	0
129659218	Undefined_Atom_Stereo_Count	0
18150	Molecular_Weight	120.58
4385988	XLogP3-AA	1.5
11714580	Total_Formal_Charge	0
14803	Structure_Complexity	4
12367599	Isotope_Atom_Count	0
69777941	Non-hydrogen_Atom_Count	12
91663303	Mono_Isotopic_Weight	475.23587315
5059	Structure_Complexity	375
236666	Rotatable_Bond_Count	0
124770286	Undefined_Atom_Stereo_Count	0
46863	Exact_Mass	234.961448
210301	Covalent_Unit_Count	2
5329020	Defined_Atom_Stereo_Count	0
71622657	Structure_Complexity	345
10457598	Non-hydrogen_Atom_Count	32
29420	Undefined_Bond_Stereo_Count	0
82650926	Defined_Atom_Stereo_Count	0
25245711	Molecular_Weight	889.7
9568	Undefined_Atom_Stereo_Count	1
6780	Total_Formal_Charge	0
7530950	Isotope_Atom_Count	0
115260	Rotatable_Bond_Count	10
135975	Exact_Mass	316.125200510
267	Isotope_Atom_Count	0
3575	Covalent_Unit_Count	1
137942834	Defined_Atom_Stereo_Count	0
3272524	Isotope_Atom_Count	0
6891	Defined_Bond_Stereo_Count	0
13084	Defined_Atom_Stereo_Count	0
5281067	Covalent_Unit_Count	2
82326	Undefined_Bond_Stereo_Count	0
8821	Isotope_Atom_Count	0
20699949	Hydrogen_Bond_Donor_Count	2
448133	Total_Formal_Charge	1
132274874	Total_Formal_Charge	0
82452	Exact_Mass	152.083729621
23664617	Hydrogen_Bond_Donor_Count	0
318158	Exact_Mass	112.052429494
24848343	Mono_Isotopic_Weight	254.0267192
86062	Non-hydrogen_Atom_Count	7
6436606	Rotatable_Bond_Count	10
20392430	Hydrogen_Bond_Donor_Count	1
6919173	Structure_Complexity	240
3082393	Structure_Complexity	1250
73981	Defined_Atom_Stereo_Count	0
20700920	TPSA	20.1
12279	Tautomer_Count	1
101808860	Defined_Atom_Stereo_Count	0
5503	Defined_Bond_Stereo_Count	0
3854	Hydrogen_Bond_Donor_Count	3
118689592	Structure_Complexity	1220
12717	Molecular_Weight	119.08
641248	Molecular_Weight	100.16
143686076	Molecular_Weight	97.16
447277	Undefined_Atom_Stereo_Count	0
105709961	Isotope_Atom_Count	0
25897919	Tautomer_Count	1
5311211	Covalent_Unit_Count	1
10199068	Defined_Atom_Stereo_Count	2
45375806	Isotope_Atom_Count	0
32069	Covalent_Unit_Count	1
56776542	Molecular_Weight	250.02
365	Undefined_Bond_Stereo_Count	2
5311333	Tautomer_Count	1
31398	Non-hydrogen_Atom_Count	8
73653033	Hydrogen_Bond_Donor_Count	1
133126687	Defined_Bond_Stereo_Count	0
88257494	Defined_Atom_Stereo_Count	0
13652129	Non-hydrogen_Atom_Count	3
49296	Undefined_Bond_Stereo_Count	0
5353521	Exact_Mass	459.24210135
91827799	Rotatable_Bond_Count	1
533432	Defined_Bond_Stereo_Count	0
18604	Exact_Mass	212.214015512
16996	Total_Formal_Charge	0
10011877	Defined_Bond_Stereo_Count	0
12228201	Non-hydrogen_Atom_Count	6
49796490	Defined_Bond_Stereo_Count	1
3760923	Undefined_Atom_Stereo_Count	0
12406682	Hydrogen_Bond_Acceptor_Count	1
21225236	Mono_Isotopic_Weight	99.032028402
68016	Rotatable_Bond_Count	1
19792224	Hydrogen_Bond_Acceptor_Count	3
11194	Structure_Complexity	49.2
3029326	Isotope_Atom_Count	0
17480032	Mono_Isotopic_Weight	343.08380644
43601	Undefined_Atom_Stereo_Count	0
16599	Non-hydrogen_Atom_Count	33
75444	Exact_Mass	513.2910760
115348	Isotope_Atom_Count	0
23694214	Defined_Atom_Stereo_Count	7
111036	Tautomer_Count	1
159778730	Molecular_Weight	284.35
21118222	Exact_Mass	303.0621982
120269	Isotope_Atom_Count	0
126575987	Defined_Bond_Stereo_Count	0
627458	Non-hydrogen_Atom_Count	18
9068	Defined_Bond_Stereo_Count	0
76285	Mono_Isotopic_Weight	459.658166
28557	Defined_Bond_Stereo_Count	0
5321948	Non-hydrogen_Atom_Count	20
5460887	Hydrogen_Bond_Acceptor_Count	9
5351	Tautomer_Count	1
18921	Mono_Isotopic_Weight	209.90002
52919	TPSA	46.6
166064699	Defined_Atom_Stereo_Count	0
24807494	Non-hydrogen_Atom_Count	8
36688091	Mono_Isotopic_Weight	191.11441535
10693833	Covalent_Unit_Count	1
6440900	Tautomer_Count	1
4167	Hydrogen_Bond_Donor_Count	0
18430531	Structure_Complexity	77.7
22859	Isotope_Atom_Count	0
637090	Mono_Isotopic_Weight	86.036779430
436	Exact_Mass	192.089877630
3711576	Molecular_Weight	293.44
54688697	Undefined_Bond_Stereo_Count	0
15309593	Undefined_Bond_Stereo_Count	0
57395613	XLogP3-AA	4.2
3037171	TPSA	180
22932	Molecular_Weight	390.6
306131	TPSA	63.3
919205	Tautomer_Count	2
131704205	Structure_Complexity	302
3081386	Total_Formal_Charge	0
5486793	Non-hydrogen_Atom_Count	24
95258	Structure_Complexity	174
22327	Mono_Isotopic_Weight	266.297351212
18714263	Isotope_Atom_Count	0
32924	Molecular_Weight	196.25
62477	Mono_Isotopic_Weight	130.099379685
475320	Mono_Isotopic_Weight	572.98649516
17344	Defined_Atom_Stereo_Count	0
969105	Exact_Mass	310.168127949
88836	Non-hydrogen_Atom_Count	17
2734224	Tautomer_Count	1
2775	Defined_Bond_Stereo_Count	0
657210	Structure_Complexity	130
25271884	Undefined_Atom_Stereo_Count	0
7362	Hydrogen_Bond_Acceptor_Count	2
51918	Structure_Complexity	153
25200541	Exact_Mass	209.95655405
1810216	Mono_Isotopic_Weight	84.032362755
15652148	Undefined_Atom_Stereo_Count	0
86278404	Isotope_Atom_Count	0
5904	Structure_Complexity	530
71460731	Rotatable_Bond_Count	5
10486	Total_Formal_Charge	0
21724548	Undefined_Bond_Stereo_Count	0
144381	Defined_Bond_Stereo_Count	0
86566	Defined_Bond_Stereo_Count	0
57183917	Defined_Atom_Stereo_Count	0
12268623	Structure_Complexity	122
25324	Structure_Complexity	212
136254272	Non-hydrogen_Atom_Count	28
17132	Isotope_Atom_Count	0
57473011	Hydrogen_Bond_Donor_Count	0
44143571	XLogP3-AA	5.8
9539	Hydrogen_Bond_Donor_Count	6
9318	Molecular_Weight	405.1
92753	Hydrogen_Bond_Acceptor_Count	22
7045767	Defined_Bond_Stereo_Count	0
117957810	Covalent_Unit_Count	1
5280794	XLogP3-AA	8.6
54545143	Hydrogen_Bond_Acceptor_Count	1
9821945	Structure_Complexity	532
138395106	Non-hydrogen_Atom_Count	85
21285	Isotope_Atom_Count	0
39176	Mono_Isotopic_Weight	114.104465066
181287	Isotope_Atom_Count	0
7233	Exact_Mass	350.329713967
33899	Mono_Isotopic_Weight	420.1815851
443870	Non-hydrogen_Atom_Count	27
23932	TPSA	0
1074953	Undefined_Bond_Stereo_Count	0
12103	Mono_Isotopic_Weight	159.9846556
380611	XLogP3-AA	2
152413	Tautomer_Count	27
38253	Hydrogen_Bond_Acceptor_Count	2
243556	Defined_Atom_Stereo_Count	0
11647899	Hydrogen_Bond_Donor_Count	2
5280805	Defined_Bond_Stereo_Count	0
85538176	Undefined_Atom_Stereo_Count	0
143399	XLogP3-AA	3
65019	Hydrogen_Bond_Acceptor_Count	2
16900	Rotatable_Bond_Count	5
5462928	TPSA	0
11476467	Undefined_Bond_Stereo_Count	0
141329202	Defined_Bond_Stereo_Count	0
22421116	Hydrogen_Bond_Acceptor_Count	1
9907842	Tautomer_Count	1
22875828	Rotatable_Bond_Count	2
9037	Defined_Bond_Stereo_Count	0
11338033	Defined_Atom_Stereo_Count	0
138106991	Total_Formal_Charge	0
18032	TPSA	74.9
86566	Mono_Isotopic_Weight	282.328651340
60942	Defined_Bond_Stereo_Count	0
11789150	Hydrogen_Bond_Acceptor_Count	1
8078	Defined_Bond_Stereo_Count	0
17166	Undefined_Atom_Stereo_Count	0
219601	Undefined_Atom_Stereo_Count	1
219990	Undefined_Atom_Stereo_Count	0
3052776	Structure_Complexity	212
20137	Hydrogen_Bond_Donor_Count	1
1811	TPSA	138
9013	TPSA	64.4
98527	XLogP3	2.1
226764	Hydrogen_Bond_Donor_Count	0
1023	Hydrogen_Bond_Donor_Count	4
107770	Structure_Complexity	415
23675786	Mono_Isotopic_Weight	509.0191061
100641	Hydrogen_Bond_Acceptor_Count	6
62219	Undefined_Bond_Stereo_Count	0
57396607	Defined_Atom_Stereo_Count	0
30530	Rotatable_Bond_Count	3
59729233	Non-hydrogen_Atom_Count	8
13529	TPSA	20.2
9846078	Defined_Atom_Stereo_Count	1
91410652	Non-hydrogen_Atom_Count	8
543885	Molecular_Weight	112.21
90843502	Non-hydrogen_Atom_Count	8
4195974	Undefined_Bond_Stereo_Count	0
44126033	TPSA	106
148089453	TPSA	26.3
11174599	Undefined_Atom_Stereo_Count	0
25172086	Defined_Atom_Stereo_Count	1
84063191	Covalent_Unit_Count	1
133268492	Defined_Atom_Stereo_Count	10
11319217	Structure_Complexity	1020
20298886	Covalent_Unit_Count	1
56679112	Covalent_Unit_Count	1
11817188	Exact_Mass	234.198365449
12018	XLogP3-AA	0.8
73094	Covalent_Unit_Count	1
34474	Hydrogen_Bond_Donor_Count	0
31236	Defined_Bond_Stereo_Count	0
85912645	Total_Formal_Charge	0
123195	Mono_Isotopic_Weight	30.021798072
21867279	Defined_Bond_Stereo_Count	0
5311024	Defined_Bond_Stereo_Count	0
131709225	Tautomer_Count	11
11947765	Structure_Complexity	161
7172302	Undefined_Bond_Stereo_Count	0
5330790	Mono_Isotopic_Weight	394.06596576
61988	XLogP3-AA	1
70694813	Isotope_Atom_Count	0
17649	Defined_Atom_Stereo_Count	1
46224600	Exact_Mass	1633.5887776
20277171	Defined_Bond_Stereo_Count	0
6918788	Hydrogen_Bond_Acceptor_Count	16
751	Hydrogen_Bond_Acceptor_Count	3
71462510	Rotatable_Bond_Count	2
885569	Mono_Isotopic_Weight	264.982797
151014	Tautomer_Count	2
46202743	Exact_Mass	439.18083850
101982233	Structure_Complexity	0
16217526	Defined_Atom_Stereo_Count	12
89100	Isotope_Atom_Count	0
446167	Structure_Complexity	221
12835056	Rotatable_Bond_Count	4
252281	Total_Formal_Charge	0
6084	Mono_Isotopic_Weight	375.1237359
2485	Undefined_Bond_Stereo_Count	0
97354	Isotope_Atom_Count	0
6604866	XLogP3	2.7
85252	Molecular_Weight	160.29
26383	Hydrogen_Bond_Donor_Count	1
21343371	Covalent_Unit_Count	1
12556904	TPSA	37.3
21658180	Non-hydrogen_Atom_Count	73
25701	Hydrogen_Bond_Donor_Count	3
68260833	Mono_Isotopic_Weight	112.088815002
156651923	Undefined_Bond_Stereo_Count	0
10539198	Hydrogen_Bond_Donor_Count	4
71458236	Hydrogen_Bond_Donor_Count	3
72182	Defined_Bond_Stereo_Count	0
5362119	Hydrogen_Bond_Acceptor_Count	7
5742673	Undefined_Bond_Stereo_Count	0
23165199	Undefined_Bond_Stereo_Count	0
19687	Undefined_Atom_Stereo_Count	0
31390	Undefined_Atom_Stereo_Count	0
7895	XLogP3	0.9
54456063	Rotatable_Bond_Count	2
68476	Mono_Isotopic_Weight	144.068748264
664126	Molecular_Weight	323.5
704314	Rotatable_Bond_Count	4
5289024	Covalent_Unit_Count	1
24066	Non-hydrogen_Atom_Count	15
984396	Hydrogen_Bond_Donor_Count	2
9955951	Hydrogen_Bond_Donor_Count	3
98685	Exact_Mass	240.126263138
11182591	Hydrogen_Bond_Acceptor_Count	2
123217920	Defined_Bond_Stereo_Count	0
7507	Exact_Mass	114.104465066
25142172	Hydrogen_Bond_Acceptor_Count	3
5281565	Defined_Atom_Stereo_Count	1
542158	Isotope_Atom_Count	0
3074827	Tautomer_Count	2
5311184	Covalent_Unit_Count	2
1473603	TPSA	43.6
5415	Hydrogen_Bond_Donor_Count	7
131966078	Covalent_Unit_Count	1
54692950	Covalent_Unit_Count	1
46244454	Total_Formal_Charge	0
7020337	Mono_Isotopic_Weight	477.09994880
364	Hydrogen_Bond_Acceptor_Count	4
9887812	Total_Formal_Charge	0
102601371	Defined_Bond_Stereo_Count	0
23667300	Undefined_Bond_Stereo_Count	0
34676239	Defined_Atom_Stereo_Count	1
10176127	Defined_Atom_Stereo_Count	0
415984	Covalent_Unit_Count	1
15100753	Isotope_Atom_Count	0
10975412	Tautomer_Count	1
11549937	Structure_Complexity	1750
66070	Tautomer_Count	3
25199597	TPSA	94.9
70949	Rotatable_Bond_Count	1
612684	Exact_Mass	218.03275668
277	Mono_Isotopic_Weight	61.016378338
54682938	Mono_Isotopic_Weight	527.22676502
5351548	Mono_Isotopic_Weight	841.44598505
22065792	Defined_Bond_Stereo_Count	0
5281077	Hydrogen_Bond_Donor_Count	1
6994	Mono_Isotopic_Weight	122.073164938
154734173	Molecular_Weight	113.07
503737	Tautomer_Count	9
6220	Structure_Complexity	712
444182	Covalent_Unit_Count	1
3573	Undefined_Atom_Stereo_Count	12
8827	Total_Formal_Charge	0
16113753	Undefined_Bond_Stereo_Count	0
9742	Hydrogen_Bond_Acceptor_Count	2
71783	Rotatable_Bond_Count	6
82140	Covalent_Unit_Count	1
31779	Covalent_Unit_Count	1
11583971	Undefined_Bond_Stereo_Count	0
13241308	Hydrogen_Bond_Acceptor_Count	3
44414678	Undefined_Bond_Stereo_Count	0
15165	Undefined_Atom_Stereo_Count	1
138378	Defined_Bond_Stereo_Count	0
131954782	Total_Formal_Charge	0
93563	Tautomer_Count	1
12805738	Undefined_Bond_Stereo_Count	0
1000	TPSA	46.2
11983193	Undefined_Bond_Stereo_Count	0
2108	Isotope_Atom_Count	0
443369	Hydrogen_Bond_Acceptor_Count	9
5318	TPSA	43.1
129826870	Defined_Bond_Stereo_Count	0
20055121	Exact_Mass	319.10156451
11655511	Defined_Bond_Stereo_Count	0
16217	XLogP3	6.4
88534961	Defined_Atom_Stereo_Count	0
102242	Non-hydrogen_Atom_Count	22
7017816	Mono_Isotopic_Weight	108.068748264
1416	Undefined_Atom_Stereo_Count	2
67350	Structure_Complexity	338
69240	Covalent_Unit_Count	1
92136216	Hydrogen_Bond_Acceptor_Count	14
90892	Defined_Atom_Stereo_Count	0
10240761	Hydrogen_Bond_Donor_Count	1
6514	TPSA	38.3
641773	Undefined_Bond_Stereo_Count	0
102677	Exact_Mass	84.057514874
22602664	Mono_Isotopic_Weight	109.052763847
33629	Tautomer_Count	1
11366953	Total_Formal_Charge	0
8948	Mono_Isotopic_Weight	139.945464
461279	Rotatable_Bond_Count	6
76223462	Isotope_Atom_Count	0
14821	TPSA	32.1
55011	Covalent_Unit_Count	1
32756	Structure_Complexity	737
27528	TPSA	54.4
15013749	Molecular_Weight	545.7
524681	Defined_Atom_Stereo_Count	0
65576	Covalent_Unit_Count	1
22643	Mono_Isotopic_Weight	243.1026065
71587	Undefined_Atom_Stereo_Count	0
101798	Hydrogen_Bond_Acceptor_Count	6
54726191	Covalent_Unit_Count	1
402045	Structure_Complexity	719
54682511	Undefined_Bond_Stereo_Count	0
16684463	Rotatable_Bond_Count	8
5284347	Covalent_Unit_Count	2
8863	Hydrogen_Bond_Acceptor_Count	3
8579	TPSA	49.3
24360	Mono_Isotopic_Weight	348.11100700
5754	Isotope_Atom_Count	0
60573	Tautomer_Count	6
121732	Covalent_Unit_Count	1
223	Defined_Atom_Stereo_Count	0
5463599	XLogP3-AA	3.5
4714967	XLogP3	2.8
107999	Mono_Isotopic_Weight	315.1138399
77171	Non-hydrogen_Atom_Count	40
7678	Defined_Atom_Stereo_Count	0
77949	Defined_Bond_Stereo_Count	0
7019016	Defined_Atom_Stereo_Count	1
16666708	Structure_Complexity	596
13348002	Hydrogen_Bond_Acceptor_Count	0
21579161	Non-hydrogen_Atom_Count	31
137699107	Structure_Complexity	329
3033928	Structure_Complexity	478
11986122	Molecular_Weight	230.04
25422	TPSA	13.1
25023854	Isotope_Atom_Count	0
21379	Defined_Atom_Stereo_Count	0
64950	Hydrogen_Bond_Acceptor_Count	2
74170	Defined_Bond_Stereo_Count	0
118994155	Isotope_Atom_Count	0
27686	Covalent_Unit_Count	1
60503	Tautomer_Count	2
21075956	Defined_Atom_Stereo_Count	1
143888994	Undefined_Atom_Stereo_Count	0
859	Isotope_Atom_Count	0
803776	TPSA	12.5
57399909	XLogP3-AA	5.2
543882	TPSA	9.2
10675	Total_Formal_Charge	0
14930392	Rotatable_Bond_Count	2
9313	Mono_Isotopic_Weight	273.011291
53846425	Hydrogen_Bond_Acceptor_Count	3
121601231	Total_Formal_Charge	0
5200289	TPSA	54.7
139580	Defined_Bond_Stereo_Count	0
53723270	Hydrogen_Bond_Donor_Count	0
95380	Covalent_Unit_Count	1
16129629	Tautomer_Count	998
6210	Structure_Complexity	63.1
6568	Hydrogen_Bond_Donor_Count	1
22613925	Covalent_Unit_Count	2
5362456	Mono_Isotopic_Weight	271.157228913
13808253	Molecular_Weight	100.12
13814	Tautomer_Count	3
12659781	Defined_Atom_Stereo_Count	0
25027363	Mono_Isotopic_Weight	504.33856457
3083659	Isotope_Atom_Count	0
73437612	Molecular_Weight	768.5
468	Structure_Complexity	1040
3003	Exact_Mass	392.19990218
71237	Mono_Isotopic_Weight	277.04802588
16129672	Undefined_Bond_Stereo_Count	0
663	Covalent_Unit_Count	1
102119819	Defined_Bond_Stereo_Count	0
15043600	Total_Formal_Charge	0
66991180	Covalent_Unit_Count	1
2072949	Defined_Bond_Stereo_Count	0
166718	Tautomer_Count	1
12332146	Undefined_Bond_Stereo_Count	0
588963	Non-hydrogen_Atom_Count	20
79056	Defined_Bond_Stereo_Count	0
720674	Mono_Isotopic_Weight	210.115698455
1135	Defined_Atom_Stereo_Count	0
176171	Undefined_Atom_Stereo_Count	2
32495	Defined_Bond_Stereo_Count	0
50317	Hydrogen_Bond_Acceptor_Count	2
76957773	Isotope_Atom_Count	0
12219859	Non-hydrogen_Atom_Count	8
5125	Exact_Mass	314.09616600
142044455	Molecular_Weight	108.18
153812620	Undefined_Bond_Stereo_Count	0
6004	Mono_Isotopic_Weight	125.99867984
138404422	Undefined_Bond_Stereo_Count	0
16760	Hydrogen_Bond_Acceptor_Count	4
5218	Undefined_Bond_Stereo_Count	0
25195	Mono_Isotopic_Weight	352.14230712
5359853	Undefined_Bond_Stereo_Count	0
59471606	Structure_Complexity	114
94418	Covalent_Unit_Count	1
5282198	Undefined_Atom_Stereo_Count	0
87155	Undefined_Bond_Stereo_Count	1
126456023	Defined_Bond_Stereo_Count	2
2675	Hydrogen_Bond_Acceptor_Count	12
12603004	Undefined_Atom_Stereo_Count	0
9964076	Covalent_Unit_Count	1
65875	Mono_Isotopic_Weight	309.147726857
32065	Defined_Atom_Stereo_Count	0
46127	Non-hydrogen_Atom_Count	21
1212	TPSA	118
53960	Structure_Complexity	295
129629392	Total_Formal_Charge	0
26651	Molecular_Weight	425.4
71464121	Undefined_Bond_Stereo_Count	0
13643667	Exact_Mass	449.71112
70542877	XLogP3-AA	0.1
14767815	XLogP3-AA	0.6
118208260	Exact_Mass	109.016378338
6148	Covalent_Unit_Count	1
73755062	Undefined_Bond_Stereo_Count	0
22988955	Molecular_Weight	100.12
10486803	Defined_Bond_Stereo_Count	0
82452	Isotope_Atom_Count	0
1516505	Total_Formal_Charge	0
97226	Rotatable_Bond_Count	1
60196321	Covalent_Unit_Count	2
20890	Tautomer_Count	5
13362585	Covalent_Unit_Count	1
15287	Covalent_Unit_Count	1
54592009	Undefined_Bond_Stereo_Count	0
231	Isotope_Atom_Count	0
3012	Defined_Atom_Stereo_Count	0
205708	Hydrogen_Bond_Donor_Count	2
1470718	Mono_Isotopic_Weight	315.08193293
248127	Covalent_Unit_Count	1
556303	TPSA	0
86373	Molecular_Weight	774.13
3364	Defined_Bond_Stereo_Count	0
5462210	Isotope_Atom_Count	0
92729	TPSA	29.5
240119	Defined_Atom_Stereo_Count	0
137704528	Molecular_Weight	843.1
11631565	XLogP3-AA	5.4
402869	Total_Formal_Charge	0
206876	Hydrogen_Bond_Donor_Count	1
231360	Defined_Bond_Stereo_Count	0
49057	XLogP3-AA	3.8
90469695	Isotope_Atom_Count	0
13661819	Mono_Isotopic_Weight	98.073164938
365938	Non-hydrogen_Atom_Count	28
172717	Rotatable_Bond_Count	3
162990683	Covalent_Unit_Count	1
163714395	Rotatable_Bond_Count	1
5353635	Defined_Bond_Stereo_Count	1
54405	Structure_Complexity	442
40466954	Total_Formal_Charge	1
70697507	Total_Formal_Charge	0
588	Defined_Bond_Stereo_Count	0
158758	Total_Formal_Charge	0
2723951	Defined_Atom_Stereo_Count	0
129009989	Defined_Atom_Stereo_Count	9
142186967	Mono_Isotopic_Weight	416.32904526
10564696	Tautomer_Count	1
71317118	Exact_Mass	275.13688739
41774	Mono_Isotopic_Weight	645.24801352
27189	Hydrogen_Bond_Acceptor_Count	2
53364498	Molecular_Weight	519.6
8823	Defined_Atom_Stereo_Count	0
93285	Isotope_Atom_Count	0
97226	Undefined_Bond_Stereo_Count	0
55404	Covalent_Unit_Count	1
447534	Molecular_Weight	229.17
13248942	Non-hydrogen_Atom_Count	7
26081	Total_Formal_Charge	0
73759663	Hydrogen_Bond_Donor_Count	2
57829	Rotatable_Bond_Count	4
443037	Undefined_Atom_Stereo_Count	0
18787	Defined_Bond_Stereo_Count	0
163943218	Exact_Mass	116.083729621
73246	Mono_Isotopic_Weight	535.17368407
11215	Hydrogen_Bond_Donor_Count	0
140052548	Non-hydrogen_Atom_Count	8
9012	Molecular_Weight	246.4
2044	Covalent_Unit_Count	1
13138	Total_Formal_Charge	0
13401996	Undefined_Atom_Stereo_Count	0
129627802	Isotope_Atom_Count	0
34875	Total_Formal_Charge	0
135410916	Isotope_Atom_Count	0
102102472	Total_Formal_Charge	0
47965	Non-hydrogen_Atom_Count	25
70003	TPSA	17.1
101348253	Undefined_Bond_Stereo_Count	0
5702220	Exact_Mass	411.97395
12359612	Hydrogen_Bond_Acceptor_Count	1
9804302	Covalent_Unit_Count	1
20172	Exact_Mass	467.96739619
23603	Molecular_Weight	237.30
10197675	Non-hydrogen_Atom_Count	8
135508231	Isotope_Atom_Count	0
383414	Mono_Isotopic_Weight	1018.44048069
15122	Defined_Bond_Stereo_Count	0
6861	Molecular_Weight	185.22
22934413	Rotatable_Bond_Count	2
9921468	Defined_Atom_Stereo_Count	1
97729	Total_Formal_Charge	0
24530	Undefined_Atom_Stereo_Count	0
620080	Molecular_Weight	91.11
59664	Exact_Mass	354.00765
118209817	Covalent_Unit_Count	1
89555	Hydrogen_Bond_Acceptor_Count	1
447256	Hydrogen_Bond_Donor_Count	1
721310	Covalent_Unit_Count	1
81423	Defined_Bond_Stereo_Count	0
59119	Mono_Isotopic_Weight	330.10544872
86929	Total_Formal_Charge	0
6059187	Isotope_Atom_Count	0
46909057	Defined_Bond_Stereo_Count	0
15620	TPSA	25.3
61833	Isotope_Atom_Count	0
9909677	Tautomer_Count	10
2734903	Hydrogen_Bond_Donor_Count	0
15752274	Defined_Bond_Stereo_Count	0
23663958	Non-hydrogen_Atom_Count	17
3883	Undefined_Atom_Stereo_Count	1
102286157	Structure_Complexity	333
22848362	Non-hydrogen_Atom_Count	24
71584056	Undefined_Bond_Stereo_Count	0
10775	Total_Formal_Charge	0
34696	Non-hydrogen_Atom_Count	8
689013	XLogP3	3.9
53869158	Defined_Bond_Stereo_Count	0
43102	Defined_Bond_Stereo_Count	0
21987892	Rotatable_Bond_Count	7
24848360	XLogP3	5.2
10221890	Defined_Atom_Stereo_Count	0
50894	Mono_Isotopic_Weight	308.17360725
263639	Mono_Isotopic_Weight	112.088815002
285	Undefined_Atom_Stereo_Count	0
6433192	Non-hydrogen_Atom_Count	65
185792	Hydrogen_Bond_Donor_Count	1
688492	Hydrogen_Bond_Donor_Count	1
135474265	Tautomer_Count	3
41037	Hydrogen_Bond_Donor_Count	3
104955	Hydrogen_Bond_Acceptor_Count	4
12284127	Undefined_Bond_Stereo_Count	0
5362772	Isotope_Atom_Count	0
6433082	Isotope_Atom_Count	0
13613	XLogP3	0.9
1032	Undefined_Bond_Stereo_Count	0
147020	TPSA	26.3
24358	Hydrogen_Bond_Donor_Count	0
9795276	Structure_Complexity	245
71587637	XLogP3-AA	3.9
533876	Covalent_Unit_Count	1
75530159	Defined_Atom_Stereo_Count	0
135509147	Structure_Complexity	754
100472	Undefined_Atom_Stereo_Count	0
40146	Molecular_Weight	240.30
52141942	Hydrogen_Bond_Acceptor_Count	1
7813	Mono_Isotopic_Weight	107.073499291
129870262	Hydrogen_Bond_Acceptor_Count	2
5367706	Hydrogen_Bond_Acceptor_Count	2
62705690	Molecular_Weight	443.4
10199016	Isotope_Atom_Count	0
9624	Total_Formal_Charge	0
291703	Rotatable_Bond_Count	1
118855445	Non-hydrogen_Atom_Count	47
138115739	Hydrogen_Bond_Donor_Count	12
7012	Hydrogen_Bond_Donor_Count	1
492767	Exact_Mass	333.1066465
10747	Isotope_Atom_Count	0
71459166	Hydrogen_Bond_Acceptor_Count	4
49862689	Defined_Bond_Stereo_Count	0
5956	Structure_Complexity	1920
7079	Molecular_Weight	269.29
23103323	Defined_Bond_Stereo_Count	0
49050	Hydrogen_Bond_Acceptor_Count	3
6328182	Total_Formal_Charge	0
147919783	Isotope_Atom_Count	0
88520001	Defined_Bond_Stereo_Count	1
411051	Hydrogen_Bond_Acceptor_Count	2
158182	Hydrogen_Bond_Donor_Count	1
21158562	TPSA	87
22717351	Rotatable_Bond_Count	2
88564905	Structure_Complexity	83.8
91759534	Rotatable_Bond_Count	2
20256	Hydrogen_Bond_Donor_Count	2
4774	Non-hydrogen_Atom_Count	21
14297260	Undefined_Bond_Stereo_Count	0
12556661	Molecular_Weight	124.22
738	Non-hydrogen_Atom_Count	10
4611851	Hydrogen_Bond_Acceptor_Count	2
81047	XLogP3-AA	5.3
25227436	Defined_Bond_Stereo_Count	0
850873	Defined_Atom_Stereo_Count	0
443946	Exact_Mass	794.44525677
61293	Undefined_Bond_Stereo_Count	0
6767	Molecular_Weight	350.4
12342	Molecular_Weight	88.07
11358	XLogP3	2.9
129679806	Non-hydrogen_Atom_Count	8
13220626	Isotope_Atom_Count	0
79003661	Rotatable_Bond_Count	2
11572	Molecular_Weight	96.17
145984	Defined_Atom_Stereo_Count	3
9958278	Exact_Mass	519.13517331
86811257	TPSA	37.3
29696	Undefined_Atom_Stereo_Count	0
54475716	Undefined_Atom_Stereo_Count	3
155465	Structure_Complexity	160
24424	Undefined_Atom_Stereo_Count	0
71895	Hydrogen_Bond_Acceptor_Count	3
60196361	Hydrogen_Bond_Acceptor_Count	2
59202444	Undefined_Atom_Stereo_Count	5
23103366	Isotope_Atom_Count	0
3038498	Mono_Isotopic_Weight	288.11266076
131057	Defined_Bond_Stereo_Count	0
66201	Mono_Isotopic_Weight	98.036779430
596935	Molecular_Weight	221.32
21520336	Molecular_Weight	309.62
88226977	Non-hydrogen_Atom_Count	8
841	Exact_Mass	164.06847348
3032396	Hydrogen_Bond_Donor_Count	4
35489	Mono_Isotopic_Weight	359.010743
524213	Molecular_Weight	106.16
9883778	Hydrogen_Bond_Donor_Count	2
93369	Defined_Atom_Stereo_Count	0
7110	Isotope_Atom_Count	0
135433604	TPSA	106
88332	Hydrogen_Bond_Donor_Count	0
12730529	Mono_Isotopic_Weight	156.078644241
82313	Covalent_Unit_Count	1
65923	XLogP3-AA	2.7
171284	Mono_Isotopic_Weight	582.20608914
572065	TPSA	20.2
260707	Structure_Complexity	126
17656	Total_Formal_Charge	0
3568	Isotope_Atom_Count	0
156497240	Isotope_Atom_Count	0
64303	Molecular_Weight	377.9
12882493	Exact_Mass	112.088815002
118855904	Total_Formal_Charge	0
534012	XLogP3-AA	0.9
558502	Isotope_Atom_Count	0
159603	TPSA	86.2
11051571	TPSA	20.2
14900	Exact_Mass	330.27700969
13465027	Total_Formal_Charge	0
10027278	XLogP3-AA	5.2
145640699	Undefined_Atom_Stereo_Count	2
2285	Undefined_Bond_Stereo_Count	0
71430868	Structure_Complexity	685
87186939	Rotatable_Bond_Count	1
8816	Mono_Isotopic_Weight	383.21876
2895	Hydrogen_Bond_Donor_Count	0
448123	Covalent_Unit_Count	1
92822	Hydrogen_Bond_Acceptor_Count	3
155288862	Covalent_Unit_Count	2
68714	Defined_Bond_Stereo_Count	0
128563	Undefined_Atom_Stereo_Count	0
91474	Hydrogen_Bond_Donor_Count	1
45120389	Tautomer_Count	1
12256033	Covalent_Unit_Count	1
5479537	Undefined_Bond_Stereo_Count	0
31253	Defined_Atom_Stereo_Count	0
54758599	TPSA	751
12297	Hydrogen_Bond_Donor_Count	1
165363453	Isotope_Atom_Count	1
398579	Undefined_Atom_Stereo_Count	0
12487261	Hydrogen_Bond_Donor_Count	1
109640	TPSA	12.9
65115	Molecular_Weight	301.25
12014	Undefined_Bond_Stereo_Count	1
8333	Non-hydrogen_Atom_Count	16
16133802	Structure_Complexity	6500
54511	Tautomer_Count	2
53723365	Rotatable_Bond_Count	2
81364	Tautomer_Count	1
21115778	Isotope_Atom_Count	0
22238533	Hydrogen_Bond_Donor_Count	1
35810	Hydrogen_Bond_Acceptor_Count	1
10100083	Molecular_Weight	598.8
23672566	Covalent_Unit_Count	2
156651923	Mono_Isotopic_Weight	114.068079557
175191	Rotatable_Bond_Count	17
41552	Mono_Isotopic_Weight	204.115029749
92174	Total_Formal_Charge	0
91415017	Hydrogen_Bond_Donor_Count	2
10313094	Undefined_Bond_Stereo_Count	0
19130	Undefined_Atom_Stereo_Count	0
5459220	TPSA	215
3038505	Non-hydrogen_Atom_Count	39
119693	Defined_Bond_Stereo_Count	0
25273237	Mono_Isotopic_Weight	389.20764703
62371	Non-hydrogen_Atom_Count	19
9793714	Structure_Complexity	39.1
23932	Undefined_Bond_Stereo_Count	0
105426935	Non-hydrogen_Atom_Count	7
10893439	Undefined_Bond_Stereo_Count	0
11180	Exact_Mass	350.143551
14578458	Structure_Complexity	74.5
942119	Molecular_Weight	313.28
44457968	TPSA	84
142994149	Isotope_Atom_Count	0
21387	Hydrogen_Bond_Acceptor_Count	1
37873	Hydrogen_Bond_Acceptor_Count	3
77875900	Defined_Bond_Stereo_Count	0
68870	Rotatable_Bond_Count	8
60209141	Hydrogen_Bond_Donor_Count	4
41368	Non-hydrogen_Atom_Count	20
82162	Mono_Isotopic_Weight	142.074227566
69503325	Total_Formal_Charge	0
737375	Defined_Atom_Stereo_Count	0
6011	Undefined_Atom_Stereo_Count	0
6436043	Rotatable_Bond_Count	5
53319416	Defined_Bond_Stereo_Count	0
67631	Defined_Atom_Stereo_Count	0
119391	Mono_Isotopic_Weight	85.99386925
101176453	Non-hydrogen_Atom_Count	75
104967	Mono_Isotopic_Weight	132.90545196
5363548	Rotatable_Bond_Count	11
182677	Exact_Mass	278.297351212
14371531	Total_Formal_Charge	0
51136438	Structure_Complexity	261
98473	Rotatable_Bond_Count	5
5478933	XLogP3-AA	2.2
12218833	Defined_Bond_Stereo_Count	0
148557	Tautomer_Count	1
6426660	Hydrogen_Bond_Acceptor_Count	4
31060	Defined_Atom_Stereo_Count	0
6657	Molecular_Weight	103.12
6883	Undefined_Atom_Stereo_Count	0
68401	Hydrogen_Bond_Donor_Count	1
138891	Defined_Bond_Stereo_Count	0
69627068	Structure_Complexity	78.4
33255	Molecular_Weight	454.5
6854	Exact_Mass	167.073499291
6426740	Covalent_Unit_Count	1
50367	Defined_Atom_Stereo_Count	0
84872	Undefined_Bond_Stereo_Count	0
12572502	Undefined_Bond_Stereo_Count	0
1942902	Total_Formal_Charge	0
74599	Non-hydrogen_Atom_Count	8
58125082	Exact_Mass	109.063997236
26979	Mono_Isotopic_Weight	85.97330797
45358055	Defined_Atom_Stereo_Count	4
11974	Undefined_Bond_Stereo_Count	0
39095	Exact_Mass	321.0767857
135738851	Defined_Atom_Stereo_Count	14
5315659	Exact_Mass	316.240230259
626732	Undefined_Atom_Stereo_Count	3
11735949	Undefined_Atom_Stereo_Count	0
9189	TPSA	12.9
79919	Molecular_Weight	368.6
70693519	TPSA	80.4
54216748	Covalent_Unit_Count	1
104556	Non-hydrogen_Atom_Count	15
17963208	Non-hydrogen_Atom_Count	34
10130360	Structure_Complexity	193
33295	XLogP3-AA	2
155920671	Hydrogen_Bond_Donor_Count	5
4687	Defined_Atom_Stereo_Count	0
3578945	Exact_Mass	140.9510097
60196353	XLogP3-AA	5.1
57952	Non-hydrogen_Atom_Count	28
757435	Exact_Mass	343.1339066
537396	Undefined_Atom_Stereo_Count	1
32816	Defined_Atom_Stereo_Count	0
7795	Exact_Mass	158.130679813
320	Undefined_Bond_Stereo_Count	0
15809	Tautomer_Count	2
31872	Hydrogen_Bond_Acceptor_Count	2
81457	Tautomer_Count	8
6114	Covalent_Unit_Count	2
6436173	Structure_Complexity	1590
5481119	Defined_Bond_Stereo_Count	0
6776	Undefined_Bond_Stereo_Count	0
9868041	Mono_Isotopic_Weight	443.12633996
12110098	Defined_Bond_Stereo_Count	0
22082840	TPSA	26
16584	Total_Formal_Charge	0
801	Molecular_Weight	174.18
14830385	Molecular_Weight	117.10
220936	TPSA	54.4
49757967	Rotatable_Bond_Count	2
54392998	Undefined_Atom_Stereo_Count	1
135436538	Defined_Bond_Stereo_Count	0
49288	Defined_Atom_Stereo_Count	0
44345281	TPSA	91.4
11744644	Molecular_Weight	453.5
83822	Rotatable_Bond_Count	10
136703	Defined_Atom_Stereo_Count	0
11400741	Defined_Atom_Stereo_Count	0
22833874	Undefined_Bond_Stereo_Count	0
7366	Molecular_Weight	134.22
55223	XLogP3-AA	2.6
123348667	TPSA	20.3
46882191	Exact_Mass	420.22737416
66603	Exact_Mass	247.877940
18386435	Exact_Mass	116.01095860
135455617	Total_Formal_Charge	0
87322	Isotope_Atom_Count	0
620984	Molecular_Weight	258.4
24453	Total_Formal_Charge	0
18377249	TPSA	26
3622	Undefined_Bond_Stereo_Count	0
13138141	Covalent_Unit_Count	2
54467044	Total_Formal_Charge	0
57400027	Mono_Isotopic_Weight	351.137162174
20207	TPSA	18.5
232592	Hydrogen_Bond_Acceptor_Count	3
638081	Mono_Isotopic_Weight	162.140850574
22805729	Structure_Complexity	621
91010248	XLogP3-AA	3.4
28852	Hydrogen_Bond_Acceptor_Count	7
493082	Hydrogen_Bond_Acceptor_Count	6
24825271	Rotatable_Bond_Count	5
71945	Undefined_Bond_Stereo_Count	0
7436	Isotope_Atom_Count	0
76478	Isotope_Atom_Count	0
2723654	Total_Formal_Charge	0
12755803	Isotope_Atom_Count	0
16204922	Defined_Atom_Stereo_Count	0
19757496	Defined_Atom_Stereo_Count	0
40585	TPSA	59.3
12078	Undefined_Atom_Stereo_Count	0
7507	Non-hydrogen_Atom_Count	8
9915861	Covalent_Unit_Count	1
64200	Defined_Atom_Stereo_Count	0
10129928	Undefined_Bond_Stereo_Count	0
16212950	Rotatable_Bond_Count	47
128919	Structure_Complexity	541
11917	Hydrogen_Bond_Acceptor_Count	1
20307232	Structure_Complexity	186
7296	Defined_Bond_Stereo_Count	0
69690	Isotope_Atom_Count	0
11315446	Exact_Mass	396.20738760
637540	Defined_Bond_Stereo_Count	1
12735	Undefined_Bond_Stereo_Count	0
10218	Exact_Mass	466.28315770
67004	Total_Formal_Charge	0
254081	Hydrogen_Bond_Donor_Count	0
77996	Hydrogen_Bond_Acceptor_Count	3
5280450	Mono_Isotopic_Weight	280.240230259
15926139	Covalent_Unit_Count	1
1208	Structure_Complexity	280
25042	Covalent_Unit_Count	1
2319	Total_Formal_Charge	0
19083150	Non-hydrogen_Atom_Count	11
95428	Undefined_Atom_Stereo_Count	1
429456	Molecular_Weight	106.16
9837916	Hydrogen_Bond_Donor_Count	1
67972405	Molecular_Weight	111.10
663894	Structure_Complexity	667
87527	Hydrogen_Bond_Donor_Count	1
224242	Non-hydrogen_Atom_Count	7
60478	Molecular_Weight	312.7
62158	Molecular_Weight	242.23
15570	Rotatable_Bond_Count	0
34230	Mono_Isotopic_Weight	724.47616298
44392167	Undefined_Atom_Stereo_Count	0
128919	Mono_Isotopic_Weight	381.17043419
3000391	Rotatable_Bond_Count	0
93680	Mono_Isotopic_Weight	430.37705808
71798	Total_Formal_Charge	0
9889168	Covalent_Unit_Count	2
11719003	Rotatable_Bond_Count	7
54610537	Isotope_Atom_Count	0
71459165	Molecular_Weight	292.4
6097028	Exact_Mass	132.02047791
56962337	Undefined_Atom_Stereo_Count	0
9113	Total_Formal_Charge	0
44720578	Non-hydrogen_Atom_Count	7
2762659	Undefined_Atom_Stereo_Count	0
22149470	Covalent_Unit_Count	1
7087	Defined_Bond_Stereo_Count	0
47462	Mono_Isotopic_Weight	334.9937240
329	Hydrogen_Bond_Donor_Count	4
41955	Non-hydrogen_Atom_Count	21
11556910	TPSA	91.2
77912	TPSA	83
7400	Hydrogen_Bond_Acceptor_Count	3
453077	Molecular_Weight	220.27
24825251	Structure_Complexity	674
59648985	Rotatable_Bond_Count	0
20465	Tautomer_Count	3
7201	Mono_Isotopic_Weight	135.104799419
799	Undefined_Bond_Stereo_Count	0
6919101	Structure_Complexity	73.1
130390356	Non-hydrogen_Atom_Count	8
68700720	Undefined_Atom_Stereo_Count	0
6950353	Undefined_Bond_Stereo_Count	0
12094059	Undefined_Atom_Stereo_Count	0
59704100	Mono_Isotopic_Weight	116.083729621
28610	Rotatable_Bond_Count	7
21473742	XLogP3-AA	0.6
28327	Exact_Mass	490.0846756
7728	Molecular_Weight	121.18
129600762	Total_Formal_Charge	0
20188	Molecular_Weight	341.7
64337	Hydrogen_Bond_Donor_Count	2
87480477	Rotatable_Bond_Count	3
18942519	Non-hydrogen_Atom_Count	11
10287037	Total_Formal_Charge	0
44560808	Covalent_Unit_Count	1
10813969	Undefined_Atom_Stereo_Count	0
57565697	Total_Formal_Charge	0
1265	Molecular_Weight	485.5
842090	Defined_Bond_Stereo_Count	0
76619	Hydrogen_Bond_Acceptor_Count	2
2469	Defined_Atom_Stereo_Count	0
12262509	Defined_Atom_Stereo_Count	1
74279	Total_Formal_Charge	0
68654	Molecular_Weight	481.4
139088080	Mono_Isotopic_Weight	343.02079
21914607	Defined_Bond_Stereo_Count	0
20759	Mono_Isotopic_Weight	150.068079557
7435	Undefined_Atom_Stereo_Count	0
23564147	Total_Formal_Charge	0
23663418	Non-hydrogen_Atom_Count	23
60478	Defined_Atom_Stereo_Count	0
408964	Defined_Bond_Stereo_Count	0
904	Defined_Bond_Stereo_Count	0
123969926	Mono_Isotopic_Weight	116.083729621
9576912	Rotatable_Bond_Count	5
18668047	Mono_Isotopic_Weight	111.068413911
15070	XLogP3	0.2
6940	Defined_Atom_Stereo_Count	0
3410	Undefined_Bond_Stereo_Count	0
4659392	Rotatable_Bond_Count	8
54584753	Molecular_Weight	424.5
53486702	Rotatable_Bond_Count	6
68402550	TPSA	38
5311051	Undefined_Bond_Stereo_Count	0
5284443	Defined_Bond_Stereo_Count	0
84647683	Undefined_Atom_Stereo_Count	0
205586	Defined_Atom_Stereo_Count	1
497100	Structure_Complexity	165
3297	Covalent_Unit_Count	1
440967	Hydrogen_Bond_Donor_Count	0
13479278	Hydrogen_Bond_Acceptor_Count	1
11775	Isotope_Atom_Count	0
44154280	Defined_Bond_Stereo_Count	0
16717	Structure_Complexity	149
3461	TPSA	108
12389634	Undefined_Bond_Stereo_Count	0
8989	Rotatable_Bond_Count	12
446276	Non-hydrogen_Atom_Count	26
31312	Non-hydrogen_Atom_Count	35
70034662	Hydrogen_Bond_Acceptor_Count	1
78452	Structure_Complexity	141
16051584	Undefined_Atom_Stereo_Count	1
21131860	Molecular_Weight	99.17
24848201	Structure_Complexity	260
10414749	Hydrogen_Bond_Donor_Count	2
61718	Hydrogen_Bond_Donor_Count	0
637584	Covalent_Unit_Count	1
154419142	Non-hydrogen_Atom_Count	8
91801202	Undefined_Atom_Stereo_Count	0
442461	Covalent_Unit_Count	1
2135	XLogP3-AA	1.5
9841240	Mono_Isotopic_Weight	348.14739250
135412725	TPSA	129
14667	Rotatable_Bond_Count	4
31736	Defined_Atom_Stereo_Count	0
12251749	Undefined_Bond_Stereo_Count	0
76220109	XLogP3-AA	0.2
5362065	Undefined_Atom_Stereo_Count	0
147078	Defined_Atom_Stereo_Count	3
444614	Non-hydrogen_Atom_Count	25
139670117	Undefined_Atom_Stereo_Count	1
16079005	Isotope_Atom_Count	0
101544	Hydrogen_Bond_Donor_Count	5
19100324	Hydrogen_Bond_Donor_Count	1
15077409	Defined_Atom_Stereo_Count	0
59743205	Total_Formal_Charge	0
54300272	Isotope_Atom_Count	0
548353	Total_Formal_Charge	0
86640	Hydrogen_Bond_Donor_Count	0
6603775	Mono_Isotopic_Weight	1201.84136802
16049158	Hydrogen_Bond_Donor_Count	5
16682953	Isotope_Atom_Count	0
50990560	Defined_Atom_Stereo_Count	18
6640	Exact_Mass	200.05071541
24900937	Defined_Bond_Stereo_Count	0
5384200	Undefined_Bond_Stereo_Count	0
11263471	Covalent_Unit_Count	1
6433110	Structure_Complexity	515
71624469	Hydrogen_Bond_Acceptor_Count	4
65557	Structure_Complexity	375
22817455	Isotope_Atom_Count	0
8894	Non-hydrogen_Atom_Count	6
10788	Hydrogen_Bond_Acceptor_Count	3
66684	Hydrogen_Bond_Acceptor_Count	6
637542	Undefined_Bond_Stereo_Count	0
60975	Undefined_Atom_Stereo_Count	1
70198	Rotatable_Bond_Count	0
7551	Covalent_Unit_Count	1
129491	Hydrogen_Bond_Donor_Count	0
23989	Hydrogen_Bond_Donor_Count	0
22475863	TPSA	32.3
226147	Covalent_Unit_Count	1
7083	Total_Formal_Charge	0
103023	TPSA	90.2
71756167	Molecular_Weight	113.12
144021791	Rotatable_Bond_Count	1
72253	Non-hydrogen_Atom_Count	20
411051	TPSA	33.1
20693488	Defined_Atom_Stereo_Count	0
44201376	Mono_Isotopic_Weight	458.19540532
52948154	XLogP3-AA	4.6
88155838	XLogP3-AA	5.1
19101067	XLogP3-AA	0.9
16971	Defined_Atom_Stereo_Count	0
153996	Non-hydrogen_Atom_Count	44
5324776	Total_Formal_Charge	0
76168	Hydrogen_Bond_Donor_Count	0
9938056	Molecular_Weight	574.8
23663973	Defined_Bond_Stereo_Count	0
2567	Mono_Isotopic_Weight	339.007053
5368010	Undefined_Atom_Stereo_Count	1
16217327	Molecular_Weight	171.41
98055	Isotope_Atom_Count	0
13398	Hydrogen_Bond_Donor_Count	0
32798	Defined_Bond_Stereo_Count	0
74210	XLogP3	3.7
18016	Rotatable_Bond_Count	16
17499	XLogP3	0.8
12048	Exact_Mass	100.125200510
79323705	Molecular_Weight	112.17
10112	Isotope_Atom_Count	0
4011971	Hydrogen_Bond_Donor_Count	1
135837103	XLogP3-AA	0.1
16760627	Molecular_Weight	570.6
16211113	TPSA	71.7
20056430	Total_Formal_Charge	0
72142	Isotope_Atom_Count	0
821645	Exact_Mass	238.01222190
11001426	Undefined_Bond_Stereo_Count	0
1251	Defined_Atom_Stereo_Count	0
21546968	Non-hydrogen_Atom_Count	8
131632429	Undefined_Atom_Stereo_Count	2
91566861	Hydrogen_Bond_Acceptor_Count	0
165704207	Rotatable_Bond_Count	0
12576852	Molecular_Weight	112.13
73537	Covalent_Unit_Count	1
141478347	Rotatable_Bond_Count	1
27655	Mono_Isotopic_Weight	151.9876363
15942852	Mono_Isotopic_Weight	403.345029678
54675769	XLogP3-AA	3.3
4630913	Defined_Atom_Stereo_Count	0
166572	Defined_Bond_Stereo_Count	0
75349	Isotope_Atom_Count	0
1935	Covalent_Unit_Count	1
87280891	Hydrogen_Bond_Donor_Count	5
70683750	Covalent_Unit_Count	1
62379	Tautomer_Count	1
54298868	Defined_Atom_Stereo_Count	0
22979	Mono_Isotopic_Weight	487.11279790
136305612	Structure_Complexity	94
8186	Isotope_Atom_Count	0
10935	Molecular_Weight	97.07
18591	Molecular_Weight	128.25
6992089	Exact_Mass	132.05349212
53346577	Rotatable_Bond_Count	2
17184	Defined_Bond_Stereo_Count	0
141869079	Hydrogen_Bond_Donor_Count	2
122449120	Covalent_Unit_Count	1
12656387	Structure_Complexity	128
23009	TPSA	76.1
444346	Undefined_Bond_Stereo_Count	0
1982	Rotatable_Bond_Count	3
5702049	Defined_Bond_Stereo_Count	0
82622	Structure_Complexity	343
278711	Structure_Complexity	690
11513733	Hydrogen_Bond_Donor_Count	0
5284542	Undefined_Bond_Stereo_Count	0
153939154	Mono_Isotopic_Weight	114.068079557
49866524	Hydrogen_Bond_Donor_Count	1
53835394	Non-hydrogen_Atom_Count	8
78485	Undefined_Bond_Stereo_Count	0
60652	Exact_Mass	308.0828741
80507	Hydrogen_Bond_Acceptor_Count	3
56679083	Undefined_Atom_Stereo_Count	0
384	Total_Formal_Charge	0
439260	Exact_Mass	169.07389321
24849132	Undefined_Bond_Stereo_Count	0
12352598	Covalent_Unit_Count	1
285666	Molecular_Weight	452.6
40159	Tautomer_Count	1
6433151	TPSA	90.7
98559	Total_Formal_Charge	0
123373137	Molecular_Weight	301.36
8974	TPSA	140
87356557	Undefined_Atom_Stereo_Count	1
7000	Isotope_Atom_Count	0
25323014	Structure_Complexity	254
153772784	Non-hydrogen_Atom_Count	8
14501	Mono_Isotopic_Weight	163.98368
5289143	Undefined_Bond_Stereo_Count	0
44321290	Mono_Isotopic_Weight	548.35151204
97032	XLogP3	5.4
13225428	Non-hydrogen_Atom_Count	7
23665731	Hydrogen_Bond_Donor_Count	1
5464190	Undefined_Atom_Stereo_Count	0
19648	Isotope_Atom_Count	0
1549237	Defined_Bond_Stereo_Count	2
10496498	Tautomer_Count	1
27430	XLogP3-AA	5
9811	Hydrogen_Bond_Acceptor_Count	2
4564493	TPSA	46.5
445858	Hydrogen_Bond_Acceptor_Count	4
23427989	Mono_Isotopic_Weight	1075.72835490
20060494	Molecular_Weight	100.16
73433376	Molecular_Weight	100.12
28213	Undefined_Bond_Stereo_Count	0
64587	Tautomer_Count	2
5317	Hydrogen_Bond_Acceptor_Count	8
151248	Undefined_Atom_Stereo_Count	0
3857	Hydrogen_Bond_Donor_Count	4
3513	Molecular_Weight	387.7
11383075	Undefined_Atom_Stereo_Count	0
70681777	XLogP3-AA	2.2
637796	Defined_Bond_Stereo_Count	1
12754038	Isotope_Atom_Count	0
49869173	Covalent_Unit_Count	1
101987	Rotatable_Bond_Count	4
56673551	Defined_Bond_Stereo_Count	0
7955	Total_Formal_Charge	0
44137686	Covalent_Unit_Count	1
13123887	Total_Formal_Charge	0
23624131	Isotope_Atom_Count	0
22859	Exact_Mass	474.01915776
70774	Defined_Bond_Stereo_Count	0
6956367	TPSA	106
16732313	Rotatable_Bond_Count	2
1890	TPSA	46.5
22561495	Structure_Complexity	192
116701105	Isotope_Atom_Count	0
169952	Total_Formal_Charge	0
56427	Defined_Atom_Stereo_Count	0
69340339	XLogP3-AA	0.3
24466	Hydrogen_Bond_Acceptor_Count	4
48011	Tautomer_Count	6
853747	Exact_Mass	195.9595035
626732	Hydrogen_Bond_Acceptor_Count	3
13253262	Isotope_Atom_Count	0
8103	Structure_Complexity	27.4
182585	Hydrogen_Bond_Acceptor_Count	5
14833	Total_Formal_Charge	0
16134395	Total_Formal_Charge	0
183679	Isotope_Atom_Count	0
10510817	Hydrogen_Bond_Acceptor_Count	2
29934831	Non-hydrogen_Atom_Count	29
57403815	Total_Formal_Charge	0
3463	Total_Formal_Charge	0
88398	Covalent_Unit_Count	1
9356	Isotope_Atom_Count	0
20055482	Undefined_Atom_Stereo_Count	0
68210	Hydrogen_Bond_Donor_Count	1
22271690	Isotope_Atom_Count	0
157787142	Hydrogen_Bond_Acceptor_Count	3
53846419	Non-hydrogen_Atom_Count	30
61370	Defined_Atom_Stereo_Count	0
6918249	Rotatable_Bond_Count	1
9854489	Mono_Isotopic_Weight	538.16369430
39941	Molecular_Weight	301.72
86233	Covalent_Unit_Count	1
6834	Defined_Atom_Stereo_Count	0
78350	Total_Formal_Charge	0
141295139	Undefined_Bond_Stereo_Count	0
71560661	Non-hydrogen_Atom_Count	18
8545	Structure_Complexity	368
135449518	Defined_Bond_Stereo_Count	0
95391	Defined_Bond_Stereo_Count	0
91322204	Mono_Isotopic_Weight	112.088815002
183	Hydrogen_Bond_Donor_Count	9
132277953	Non-hydrogen_Atom_Count	20
4669250	Hydrogen_Bond_Donor_Count	1
123413	Mono_Isotopic_Weight	114.104465066
15789550	Structure_Complexity	68.5
25644	Defined_Atom_Stereo_Count	0
3048339	TPSA	23.5
36383	Undefined_Atom_Stereo_Count	0
12371	Non-hydrogen_Atom_Count	8
75227	Defined_Atom_Stereo_Count	0
105000	Rotatable_Bond_Count	2
88953	Rotatable_Bond_Count	7
324	Isotope_Atom_Count	0
11105310	Total_Formal_Charge	0
57174376	Structure_Complexity	97.5
20488107	Exact_Mass	139.04557046
5122	Total_Formal_Charge	0
53309	Total_Formal_Charge	0
135391142	Covalent_Unit_Count	3
11441554	Molecular_Weight	420.5
13129	Tautomer_Count	1
25563891	Hydrogen_Bond_Acceptor_Count	2
84815	TPSA	88.6
21118312	Defined_Atom_Stereo_Count	7
12546246	Undefined_Bond_Stereo_Count	0
68745835	Undefined_Atom_Stereo_Count	0
889896	Mono_Isotopic_Weight	304.121177757
45357394	Undefined_Bond_Stereo_Count	0
70697366	XLogP3-AA	3.5
48	Covalent_Unit_Count	1
71417	Defined_Atom_Stereo_Count	0
3300	Isotope_Atom_Count	0
234735	Undefined_Bond_Stereo_Count	0
6327	Hydrogen_Bond_Acceptor_Count	0
18352108	Hydrogen_Bond_Acceptor_Count	2
101626738	Undefined_Atom_Stereo_Count	0
70299	Defined_Bond_Stereo_Count	0
129195194	Covalent_Unit_Count	1
154518370	Undefined_Atom_Stereo_Count	0
40308	Defined_Bond_Stereo_Count	0
71333302	Mono_Isotopic_Weight	114.031694049
545422	Rotatable_Bond_Count	5
61503	Defined_Bond_Stereo_Count	0
67944	Defined_Atom_Stereo_Count	0
27854	Hydrogen_Bond_Donor_Count	0
11115995	TPSA	43.4
2826	Tautomer_Count	1
21031014	XLogP3-AA	0.3
117569444	Mono_Isotopic_Weight	100.100048391
70967	Exact_Mass	146.084398327
81472	Rotatable_Bond_Count	3
53316393	Hydrogen_Bond_Acceptor_Count	5
17131	Tautomer_Count	1
22160831	Undefined_Atom_Stereo_Count	1
5283344	Covalent_Unit_Count	1
285118	Undefined_Atom_Stereo_Count	0
97375	Undefined_Bond_Stereo_Count	0
50878565	Isotope_Atom_Count	0
77935	Covalent_Unit_Count	1
21927801	Rotatable_Bond_Count	4
53469448	TPSA	77
4692	Molecular_Weight	248.32
3404326	Exact_Mass	209.05875492
10887743	Non-hydrogen_Atom_Count	93
141011968	Mono_Isotopic_Weight	107.02319505
6603836	XLogP3-AA	7.6
44338510	Defined_Bond_Stereo_Count	0
87402170	Rotatable_Bond_Count	2
573592	Mono_Isotopic_Weight	110.048012819
132850502	Hydrogen_Bond_Donor_Count	2
29971	TPSA	41.1
22967002	Non-hydrogen_Atom_Count	7
84292	Defined_Atom_Stereo_Count	0
6101956	Hydrogen_Bond_Donor_Count	1
57448758	Non-hydrogen_Atom_Count	46
28563239	Molecular_Weight	99.13
4584	Defined_Bond_Stereo_Count	0
153684851	Undefined_Atom_Stereo_Count	1
12305763	Exact_Mass	418.12638228
10357919	Molecular_Weight	308.4
5284441	TPSA	12.5
88482362	Molecular_Weight	108.09
1470715	XLogP3-AA	1.9
13415147	Undefined_Atom_Stereo_Count	0
71449858	Defined_Bond_Stereo_Count	0
69132	Non-hydrogen_Atom_Count	11
89143818	Covalent_Unit_Count	1
8263	Undefined_Atom_Stereo_Count	0
71391652	Hydrogen_Bond_Donor_Count	0
334102	XLogP3-AA	3.5
33254	Defined_Bond_Stereo_Count	0
2789	Hydrogen_Bond_Acceptor_Count	2
26136	Undefined_Bond_Stereo_Count	0
68030	Undefined_Atom_Stereo_Count	0
71961	Hydrogen_Bond_Donor_Count	6
92174	Non-hydrogen_Atom_Count	7
6918123	Hydrogen_Bond_Donor_Count	3
6433339	TPSA	9.2
132201306	Exact_Mass	1201.84136802
79583	Defined_Bond_Stereo_Count	0
3634	Molecular_Weight	356.5
3824	Covalent_Unit_Count	1
6359	TPSA	0
9727	Mono_Isotopic_Weight	151.099714038
19887667	Exact_Mass	104.094963011
57674785	Rotatable_Bond_Count	2
97171	Covalent_Unit_Count	1
10608	Total_Formal_Charge	0
12940701	Tautomer_Count	1
69521	Undefined_Bond_Stereo_Count	0
9851505	XLogP3	1.7
10141893	Defined_Atom_Stereo_Count	0
148539	Undefined_Bond_Stereo_Count	0
5906	Isotope_Atom_Count	0
3552	Hydrogen_Bond_Donor_Count	1
11107	Mono_Isotopic_Weight	156.068748264
25512	Defined_Atom_Stereo_Count	0
31423	Non-hydrogen_Atom_Count	16
73078	Rotatable_Bond_Count	4
49342	Exact_Mass	243.09291458
45140016	Defined_Bond_Stereo_Count	1
57565875	Undefined_Atom_Stereo_Count	0
2987927	Mono_Isotopic_Weight	292.08816355
23667638	Undefined_Atom_Stereo_Count	0
158524	XLogP3-AA	6
61071	Undefined_Bond_Stereo_Count	1
91468768	Molecular_Weight	108.18
23284	XLogP3-AA	4.7
21319	Mono_Isotopic_Weight	453.0561477
26945	Undefined_Bond_Stereo_Count	0
16682730	Undefined_Atom_Stereo_Count	0
19385647	Total_Formal_Charge	0
10138259	Hydrogen_Bond_Acceptor_Count	6
118161592	Molecular_Weight	110.15
10201696	Mono_Isotopic_Weight	411.26342531
3283968	Defined_Atom_Stereo_Count	0
49837968	Rotatable_Bond_Count	3
2734680	Hydrogen_Bond_Donor_Count	0
23681233	Structure_Complexity	544
28718	Total_Formal_Charge	0
35056	Hydrogen_Bond_Acceptor_Count	5
16058	Hydrogen_Bond_Donor_Count	0
5280497	Non-hydrogen_Atom_Count	25
67570	Total_Formal_Charge	0
6918332	Hydrogen_Bond_Donor_Count	5
269395	Covalent_Unit_Count	1
32336	Exact_Mass	430.24204178
123867503	Exact_Mass	108.093900383
67906	Non-hydrogen_Atom_Count	9
62705687	Non-hydrogen_Atom_Count	33
8164	TPSA	26.3
118701651	XLogP3-AA	3.4
101316975	Structure_Complexity	1070
533909	Tautomer_Count	1
86389	Non-hydrogen_Atom_Count	26
6604858	Isotope_Atom_Count	0
69333434	XLogP3-AA	0.9
55604	Hydrogen_Bond_Donor_Count	0
1107	Mono_Isotopic_Weight	248.214015512
14030006	Molecular_Weight	933.4
73961	Tautomer_Count	1
73415804	Isotope_Atom_Count	0
33137	Rotatable_Bond_Count	2
130918	Defined_Bond_Stereo_Count	0
93365	Undefined_Atom_Stereo_Count	1
12178790	Hydrogen_Bond_Donor_Count	0
46830239	Rotatable_Bond_Count	3
9306	Undefined_Atom_Stereo_Count	1
11256720	Isotope_Atom_Count	0
573117	Tautomer_Count	1
442941	Covalent_Unit_Count	1
28340	Exact_Mass	282.15795719
94860	Undefined_Atom_Stereo_Count	0
91495606	Mono_Isotopic_Weight	114.104465066
562720	TPSA	49.6
2100	Molecular_Weight	919.0
10194504	Defined_Atom_Stereo_Count	1
67184	Tautomer_Count	3
297618	Isotope_Atom_Count	0
11511	Isotope_Atom_Count	0
12454	Structure_Complexity	509
72734319	Exact_Mass	601.19349328
71743826	Covalent_Unit_Count	1
15193678	Total_Formal_Charge	0
13165	Defined_Bond_Stereo_Count	0
35056	Rotatable_Bond_Count	1
9568613	Non-hydrogen_Atom_Count	49
9869218	TPSA	96.9
36034	Non-hydrogen_Atom_Count	23
3795601	Non-hydrogen_Atom_Count	8
15679	Non-hydrogen_Atom_Count	19
41545	Undefined_Atom_Stereo_Count	0
57888	Hydrogen_Bond_Donor_Count	2
4144353	Defined_Atom_Stereo_Count	0
573612	Undefined_Bond_Stereo_Count	0
8809	Hydrogen_Bond_Acceptor_Count	5
447994	Non-hydrogen_Atom_Count	30
69070	Undefined_Bond_Stereo_Count	0
84589	Hydrogen_Bond_Acceptor_Count	2
153684851	Rotatable_Bond_Count	2
71066	Defined_Atom_Stereo_Count	0
15284	Mono_Isotopic_Weight	512.24101810
154461366	Mono_Isotopic_Weight	107.037113783
59277765	Non-hydrogen_Atom_Count	7
55289472	Undefined_Atom_Stereo_Count	0
10567	Isotope_Atom_Count	0
83528703	Hydrogen_Bond_Donor_Count	2
152031	Undefined_Bond_Stereo_Count	0
13104807	Undefined_Bond_Stereo_Count	0
44309990	Exact_Mass	369.1374678
2697	Hydrogen_Bond_Acceptor_Count	6
11170931	Defined_Bond_Stereo_Count	0
444183	Exact_Mass	215.05587416
40146	Non-hydrogen_Atom_Count	18
2691	Isotope_Atom_Count	0
71309905	Isotope_Atom_Count	1
21441185	Defined_Bond_Stereo_Count	0
23675947	Rotatable_Bond_Count	5
47288	Non-hydrogen_Atom_Count	22
66100	Mono_Isotopic_Weight	292.13910305
45086609	Non-hydrogen_Atom_Count	10
337359	Exact_Mass	236.05972032
24832040	Undefined_Atom_Stereo_Count	0
57370084	Rotatable_Bond_Count	4
4678	Undefined_Bond_Stereo_Count	0
14866	Molecular_Weight	223.27
26651	Defined_Atom_Stereo_Count	2
4711	Undefined_Bond_Stereo_Count	0
3081185	Undefined_Atom_Stereo_Count	0
70697627	Exact_Mass	1457.7262706
75310475	Structure_Complexity	815
135472943	Undefined_Atom_Stereo_Count	0
78000	Defined_Atom_Stereo_Count	3
19809734	Isotope_Atom_Count	0
18208	Non-hydrogen_Atom_Count	8
91423682	Undefined_Bond_Stereo_Count	0
176407	Undefined_Atom_Stereo_Count	0
71773445	XLogP3	0.3
5281034	Undefined_Bond_Stereo_Count	0
14532111	Isotope_Atom_Count	0
206245	Exact_Mass	129.06122053
408511	Hydrogen_Bond_Acceptor_Count	4
11677589	Covalent_Unit_Count	1
92781	Total_Formal_Charge	0
141366	Structure_Complexity	166
71464488	Undefined_Bond_Stereo_Count	0
64466	Defined_Atom_Stereo_Count	0
95202	Hydrogen_Bond_Donor_Count	0
135426867	Mono_Isotopic_Weight	165.06505986
11672659	Molecular_Weight	98.14
436542	XLogP3-AA	3.3
12817960	Molecular_Weight	98.14
90935301	Defined_Bond_Stereo_Count	0
328257	Mono_Isotopic_Weight	97.052763847
11240515	Non-hydrogen_Atom_Count	7
8006	XLogP3-AA	1.9
6417	Exact_Mass	102.068079557
23723027	Structure_Complexity	121
8268	Defined_Atom_Stereo_Count	0
6538981	Mono_Isotopic_Weight	486.1337794
248898	Defined_Bond_Stereo_Count	0
12567226	Defined_Bond_Stereo_Count	0
102594130	Total_Formal_Charge	0
6440764	Hydrogen_Bond_Acceptor_Count	10
17690	Hydrogen_Bond_Acceptor_Count	0
57760	Defined_Atom_Stereo_Count	0
8194	Defined_Bond_Stereo_Count	0
571736	Non-hydrogen_Atom_Count	8
7573	Exact_Mass	226.146998583
143686076	Structure_Complexity	90.2
15723	Defined_Atom_Stereo_Count	0
89926	Defined_Atom_Stereo_Count	0
6918485	Tautomer_Count	2
154106457	Hydrogen_Bond_Donor_Count	1
23703451	Isotope_Atom_Count	0
49132	Rotatable_Bond_Count	5
752646	TPSA	110
127757	Total_Formal_Charge	0
94381	TPSA	58.2
637969	Rotatable_Bond_Count	0
23716436	Structure_Complexity	558
61181	Undefined_Bond_Stereo_Count	0
441199	XLogP3	0
2543	Total_Formal_Charge	0
6933312	Isotope_Atom_Count	0
11178236	Defined_Atom_Stereo_Count	0
561488	Total_Formal_Charge	0
129796181	Non-hydrogen_Atom_Count	7
5351560	Exact_Mass	1182.50943272
62504	TPSA	49.8
13776	Defined_Bond_Stereo_Count	0
15982151	Structure_Complexity	718
6252910	Total_Formal_Charge	0
10240789	Hydrogen_Bond_Acceptor_Count	1
8742	Undefined_Atom_Stereo_Count	0
244030	Hydrogen_Bond_Donor_Count	0
28876	Defined_Atom_Stereo_Count	0
6365145	Isotope_Atom_Count	0
76318728	TPSA	18.5
13531445	XLogP3-AA	0.2
21956312	Hydrogen_Bond_Acceptor_Count	2
2724032	Hydrogen_Bond_Acceptor_Count	1
30380	Structure_Complexity	203
70695343	XLogP3-AA	3.9
12019	Rotatable_Bond_Count	2
13087254	Undefined_Atom_Stereo_Count	1
9693	Hydrogen_Bond_Acceptor_Count	3
21328181	Total_Formal_Charge	0
11988953	Isotope_Atom_Count	0
6539985	Defined_Bond_Stereo_Count	0
1708	Undefined_Atom_Stereo_Count	0
6918309	Total_Formal_Charge	0
123922025	Non-hydrogen_Atom_Count	8
37497	Non-hydrogen_Atom_Count	20
8008	Hydrogen_Bond_Acceptor_Count	1
5282386	Exact_Mass	280.1706265
13597077	Non-hydrogen_Atom_Count	8
71259	TPSA	244
138694	Defined_Bond_Stereo_Count	0
11661758	Non-hydrogen_Atom_Count	27
10432339	Exact_Mass	421.0863050
53302141	Structure_Complexity	84.1
969014	Defined_Bond_Stereo_Count	0
441328	Defined_Atom_Stereo_Count	2
25323	Structure_Complexity	139
67317342	Isotope_Atom_Count	0
9179	Exact_Mass	229.089149355
18769554	Undefined_Bond_Stereo_Count	0
4757	Defined_Atom_Stereo_Count	0
706285	Defined_Atom_Stereo_Count	0
12669583	XLogP3-AA	1.2
12867691	Hydrogen_Bond_Donor_Count	0
49853967	Structure_Complexity	617
177739	XLogP3	1.2
139078609	TPSA	136
5464097	Hydrogen_Bond_Donor_Count	3
5493444	Mono_Isotopic_Weight	551.39343642
628949	Mono_Isotopic_Weight	316.276615768
126664809	Molecular_Weight	303.35
92400	Non-hydrogen_Atom_Count	29
124723	Rotatable_Bond_Count	0
11392	Covalent_Unit_Count	1
9950094	Mono_Isotopic_Weight	345.1244046
24901348	Non-hydrogen_Atom_Count	35
17004	TPSA	20.2
141814359	Hydrogen_Bond_Acceptor_Count	2
2724123	Defined_Atom_Stereo_Count	0
97597	Total_Formal_Charge	0
70774	Non-hydrogen_Atom_Count	11
13236258	Total_Formal_Charge	0
5748846	Hydrogen_Bond_Donor_Count	5
71462102	Mono_Isotopic_Weight	478.1426128
59279784	Defined_Atom_Stereo_Count	0
17046	Defined_Bond_Stereo_Count	0
340026	Hydrogen_Bond_Donor_Count	1
11697676	Hydrogen_Bond_Donor_Count	1
5280570	Non-hydrogen_Atom_Count	32
24867465	Molecular_Weight	341.83
36547	Total_Formal_Charge	0
17510	Defined_Bond_Stereo_Count	0
537055	XLogP3-AA	14.3
101042985	TPSA	46.5
709	Exact_Mass	194.05790880
11072675	Isotope_Atom_Count	0
5791	Undefined_Atom_Stereo_Count	2
430945	Isotope_Atom_Count	0
97535	Non-hydrogen_Atom_Count	32
29656	Mono_Isotopic_Weight	102.104465066
9903944	Total_Formal_Charge	0
5460639	Hydrogen_Bond_Donor_Count	1
5311424	Hydrogen_Bond_Acceptor_Count	3
82755	Rotatable_Bond_Count	2
70	Molecular_Weight	130.14
157820065	Covalent_Unit_Count	1
11662332	Undefined_Bond_Stereo_Count	0
88406	Total_Formal_Charge	0
12115801	Non-hydrogen_Atom_Count	8
139938268	Molecular_Weight	105.14
18669439	Rotatable_Bond_Count	0
72200444	Rotatable_Bond_Count	16
3436	Defined_Bond_Stereo_Count	0
82187	Isotope_Atom_Count	0
16760577	Mono_Isotopic_Weight	325.17902698
71949	Molecular_Weight	461.8
4447605	Non-hydrogen_Atom_Count	7
20055008	Defined_Atom_Stereo_Count	7
37968	Non-hydrogen_Atom_Count	29
8819	Isotope_Atom_Count	0
30664	Total_Formal_Charge	0
1549522	Exact_Mass	136.052429494
186003	Isotope_Atom_Count	0
3033679	TPSA	106
135444614	Hydrogen_Bond_Acceptor_Count	5
3037234	Defined_Atom_Stereo_Count	0
154107800	Hydrogen_Bond_Acceptor_Count	2
18198	Mono_Isotopic_Weight	114.068079557
142882	Hydrogen_Bond_Donor_Count	1
69085357	Isotope_Atom_Count	0
57394212	Molecular_Weight	481.5
54586720	Total_Formal_Charge	0
6918107	Exact_Mass	319.168462302
859122	Hydrogen_Bond_Donor_Count	0
74183	Hydrogen_Bond_Acceptor_Count	2
65898	Total_Formal_Charge	0
68822	Covalent_Unit_Count	1
12369	Molecular_Weight	179.10
13327	Non-hydrogen_Atom_Count	25
19991465	Defined_Bond_Stereo_Count	0
93321	Molecular_Weight	348.5
42627755	Mono_Isotopic_Weight	332.14979254
20206050	Total_Formal_Charge	0
14523552	Undefined_Atom_Stereo_Count	0
5353370	Hydrogen_Bond_Donor_Count	1
11544170	Defined_Atom_Stereo_Count	0
14689526	Structure_Complexity	130
71267	Mono_Isotopic_Weight	260.188863393
79196	XLogP3-AA	0
75879	Molecular_Weight	356.4
69341027	Hydrogen_Bond_Acceptor_Count	2
61007	XLogP3	2.1
12510987	Rotatable_Bond_Count	3
440113	Isotope_Atom_Count	0
50108	Tautomer_Count	1
11851	Undefined_Atom_Stereo_Count	0
1517	Non-hydrogen_Atom_Count	38
79693	Non-hydrogen_Atom_Count	14
14462	Exact_Mass	128.156500638
3698	TPSA	68
68026923	XLogP3-AA	1.2
14416477	Structure_Complexity	531
65600	Mono_Isotopic_Weight	293.177964357
129848458	XLogP3-AA	5
817967	Undefined_Bond_Stereo_Count	0
28582	Exact_Mass	309.12210670
87098264	Defined_Atom_Stereo_Count	0
10197650	Structure_Complexity	11.1
117265443	Non-hydrogen_Atom_Count	8
12993138	Rotatable_Bond_Count	2
9984488	Rotatable_Bond_Count	4
12052005	Total_Formal_Charge	0
171995	Total_Formal_Charge	0
142123799	TPSA	32.3
3658056	Structure_Complexity	738
644113	Exact_Mass	362.0224976
11655939	Covalent_Unit_Count	1
20666911	Defined_Atom_Stereo_Count	0
219145	Hydrogen_Bond_Acceptor_Count	2
526362	Exact_Mass	325.87649
520527	Defined_Bond_Stereo_Count	0
44296776	XLogP3-AA	4.3
62322	Hydrogen_Bond_Donor_Count	0
6973628	TPSA	17.1
54337282	Defined_Bond_Stereo_Count	0
73343	Structure_Complexity	96.6
90936519	XLogP3-AA	7.5
87703	Undefined_Bond_Stereo_Count	0
143682218	Hydrogen_Bond_Acceptor_Count	1
166556	Hydrogen_Bond_Donor_Count	2
14776	Hydrogen_Bond_Donor_Count	0
12313170	TPSA	158
13019077	TPSA	60.7
89216	Rotatable_Bond_Count	4
92922	Undefined_Atom_Stereo_Count	0
16722125	Rotatable_Bond_Count	7
90916291	Hydrogen_Bond_Donor_Count	1
636364	Molecular_Weight	549.6
105426925	Undefined_Bond_Stereo_Count	0
5360521	Exact_Mass	162.04629874
165154846	Structure_Complexity	139
29075	Hydrogen_Bond_Donor_Count	0
4216	Hydrogen_Bond_Acceptor_Count	4
431631	Molecular_Weight	100.12
22751786	Undefined_Atom_Stereo_Count	0
69017	Defined_Bond_Stereo_Count	0
461307	Hydrogen_Bond_Acceptor_Count	9
852452	Defined_Atom_Stereo_Count	0
140809	Structure_Complexity	54.9
457801	Exact_Mass	414.386166214
442021	Exact_Mass	394.18925731
136053758	TPSA	56.3
701841	Covalent_Unit_Count	1
135463451	TPSA	153
77016	Non-hydrogen_Atom_Count	21
5360134	Molecular_Weight	116.17
80153	Hydrogen_Bond_Donor_Count	1
135554980	Molecular_Weight	87.04
15981397	Hydrogen_Bond_Donor_Count	1
60814	Molecular_Weight	412.9
9097	XLogP3-AA	5.8
65894	Total_Formal_Charge	0
15439	Isotope_Atom_Count	0
4909	Mono_Isotopic_Weight	218.105527694
6441712	Hydrogen_Bond_Donor_Count	4
764764	Undefined_Bond_Stereo_Count	0
37864	Total_Formal_Charge	0
138403272	Mono_Isotopic_Weight	925.50349992
23654	Covalent_Unit_Count	1
21051392	Hydrogen_Bond_Acceptor_Count	1
25086585	Undefined_Bond_Stereo_Count	0
42108	Hydrogen_Bond_Donor_Count	0
136400	Non-hydrogen_Atom_Count	13
5281416	Undefined_Atom_Stereo_Count	0
54258707	Isotope_Atom_Count	0
193972	Tautomer_Count	2
5324585	Covalent_Unit_Count	1
222572	TPSA	23.6
31233	Defined_Bond_Stereo_Count	0
7371	Total_Formal_Charge	0
42626680	Mono_Isotopic_Weight	180.06338810
452977	Defined_Atom_Stereo_Count	5
17242	Undefined_Bond_Stereo_Count	0
637932	Hydrogen_Bond_Donor_Count	0
984456	Hydrogen_Bond_Donor_Count	2
16682839	Defined_Bond_Stereo_Count	0
81764	Non-hydrogen_Atom_Count	19
9869776	Isotope_Atom_Count	0
174341	Hydrogen_Bond_Acceptor_Count	2
42642645	Mono_Isotopic_Weight	632.24464114
3739682	TPSA	83.4
80510	Undefined_Bond_Stereo_Count	0
19708414	Total_Formal_Charge	0
11513929	TPSA	46.2
232656	Non-hydrogen_Atom_Count	8
7228	Molecular_Weight	266.4
129631271	Molecular_Weight	289.15
745	Total_Formal_Charge	0
114829	Exact_Mass	256.07355886
709225	Exact_Mass	320.10956770
3032854	Undefined_Atom_Stereo_Count	1
123542114	Mono_Isotopic_Weight	99.068413911
5362772	Defined_Atom_Stereo_Count	0
99451	Exact_Mass	203.91958482
440141	Undefined_Bond_Stereo_Count	0
139079814	Structure_Complexity	253
12302694	Structure_Complexity	382
67704	Exact_Mass	104.063743068
65	Molecular_Weight	179.00
19870792	Covalent_Unit_Count	1
1201	Defined_Atom_Stereo_Count	0
56134	Molecular_Weight	170.30
8201	Undefined_Atom_Stereo_Count	0
12661198	Rotatable_Bond_Count	1
54384029	Rotatable_Bond_Count	0
185495	Tautomer_Count	1
98047379	Mono_Isotopic_Weight	284.16237386
111206	Structure_Complexity	55
4024	Total_Formal_Charge	0
90127662	Exact_Mass	112.088815002
54687772	Undefined_Bond_Stereo_Count	0
11544170	TPSA	66
5094381	Undefined_Atom_Stereo_Count	0
58801077	Rotatable_Bond_Count	0
42105518	Undefined_Atom_Stereo_Count	0
15004706	Hydrogen_Bond_Donor_Count	2
90019869	Isotope_Atom_Count	0
16807	Undefined_Bond_Stereo_Count	0
5495	Exact_Mass	320.11946368
2968	XLogP3-AA	3.9
60335	Molecular_Weight	262.43
67296898	Isotope_Atom_Count	0
45117195	Isotope_Atom_Count	0
153913521	Hydrogen_Bond_Acceptor_Count	2
164767	Molecular_Weight	172.00
18142	TPSA	35.5
53321481	XLogP3-AA	3.1
15983810	Defined_Atom_Stereo_Count	0
10111	Hydrogen_Bond_Acceptor_Count	1
4849	Structure_Complexity	564
87535084	Molecular_Weight	114.14
403924	Hydrogen_Bond_Acceptor_Count	18
9703	Undefined_Bond_Stereo_Count	0
699	Defined_Atom_Stereo_Count	0
5365585	Molecular_Weight	248.4
24750	Structure_Complexity	115
520098	Hydrogen_Bond_Donor_Count	0
85942939	Molecular_Weight	105.14
4048	Defined_Bond_Stereo_Count	0
26865	Rotatable_Bond_Count	3
721938	Exact_Mass	299.01571
6950	Undefined_Atom_Stereo_Count	1
6436219	Rotatable_Bond_Count	1
720493	TPSA	55.1
54585373	Hydrogen_Bond_Acceptor_Count	8
94381	Molecular_Weight	333.4
6136	Hydrogen_Bond_Acceptor_Count	5
130025741	Rotatable_Bond_Count	2
10038849	Hydrogen_Bond_Acceptor_Count	2
107715	Non-hydrogen_Atom_Count	45
13979010	Undefined_Bond_Stereo_Count	0
23664980	Mono_Isotopic_Weight	456.09671647
57157895	Exact_Mass	106.078250319
12231382	TPSA	9.2
20055283	Rotatable_Bond_Count	17
9087	Molecular_Weight	171.15
8631	Defined_Bond_Stereo_Count	0
135564985	Molecular_Weight	364.4
12263801	Mono_Isotopic_Weight	266.178298710
10427712	Structure_Complexity	483
156358	Defined_Atom_Stereo_Count	0
159157	Exact_Mass	208.04054465
222155	Rotatable_Bond_Count	5
13401996	Non-hydrogen_Atom_Count	6
18397995	Undefined_Atom_Stereo_Count	6
12278591	Defined_Atom_Stereo_Count	0
71152	Covalent_Unit_Count	1
6028462	Molecular_Weight	84.12
5288672	Molecular_Weight	359.8
38764	Structure_Complexity	297
228006	Molecular_Weight	195.05
153667070	Defined_Bond_Stereo_Count	0
44299	Non-hydrogen_Atom_Count	30
53465849	Molecular_Weight	401.5
70016	Structure_Complexity	179
56955071	Isotope_Atom_Count	0
12309339	Hydrogen_Bond_Donor_Count	8
85595	Undefined_Atom_Stereo_Count	0
12564	Hydrogen_Bond_Acceptor_Count	0
59791	Hydrogen_Bond_Donor_Count	2
6919078	Molecular_Weight	171.24
23293	Non-hydrogen_Atom_Count	7
10034991	TPSA	49.7
13350797	XLogP3-AA	0.1
58423153	Tautomer_Count	3
3255932	Defined_Atom_Stereo_Count	0
12268621	Defined_Bond_Stereo_Count	0
17806836	Isotope_Atom_Count	0
2527	Molecular_Weight	233.26
21030991	Molecular_Weight	112.09
22717351	Structure_Complexity	72.1
15374	Hydrogen_Bond_Acceptor_Count	2
47909	Undefined_Bond_Stereo_Count	1
46856306	TPSA	104
836041	Hydrogen_Bond_Acceptor_Count	2
413539	Isotope_Atom_Count	0
10887743	Rotatable_Bond_Count	26
13707473	Covalent_Unit_Count	1
81761	Molecular_Weight	444.0
20323	TPSA	122
67541	Rotatable_Bond_Count	2
11485656	Hydrogen_Bond_Donor_Count	4
1548994	Undefined_Bond_Stereo_Count	0
57515953	Hydrogen_Bond_Acceptor_Count	7
5315659	Hydrogen_Bond_Acceptor_Count	2
24961094	Exact_Mass	576.2270111
21441185	Isotope_Atom_Count	0
261	TPSA	17.1
19754954	Molecular_Weight	100.16
24472	Tautomer_Count	1
1118	Total_Formal_Charge	0
24906273	Hydrogen_Bond_Acceptor_Count	5
44339090	Hydrogen_Bond_Acceptor_Count	5
135398635	TPSA	155
4066245	Structure_Complexity	380
140552347	Structure_Complexity	95.3
448285	Exact_Mass	359.1070404
87480477	Isotope_Atom_Count	0
2455	XLogP3-AA	3.8
16197727	Total_Formal_Charge	0
538736	Total_Formal_Charge	0
41170	Molecular_Weight	100.16
69938	Tautomer_Count	1
18055	Undefined_Bond_Stereo_Count	0
161209	Undefined_Atom_Stereo_Count	1
19896519	Defined_Atom_Stereo_Count	0
712373	Defined_Atom_Stereo_Count	0
15266968	Non-hydrogen_Atom_Count	8
6419807	Exact_Mass	328.1090889
74517	Defined_Atom_Stereo_Count	0
164513337	Hydrogen_Bond_Acceptor_Count	6
5392	Total_Formal_Charge	0
4019563	Hydrogen_Bond_Donor_Count	2
24892840	Exact_Mass	446.1472106
7543	Exact_Mass	266.0377538
20465	Hydrogen_Bond_Donor_Count	1
4224798	Isotope_Atom_Count	0
64628	Structure_Complexity	813
92089	Molecular_Weight	349.4
75320	Structure_Complexity	176
693165	Hydrogen_Bond_Acceptor_Count	3
99868	Hydrogen_Bond_Acceptor_Count	1
90953484	Mono_Isotopic_Weight	110.109550447
78704	Covalent_Unit_Count	2
2762809	Isotope_Atom_Count	0
2355	Non-hydrogen_Atom_Count	16
38286	Covalent_Unit_Count	2
96807	Structure_Complexity	417
12029691	Undefined_Bond_Stereo_Count	0
6426924	Exact_Mass	913.51875607
35020890	Covalent_Unit_Count	1
20096720	Mono_Isotopic_Weight	109.052763847
137072	Molecular_Weight	96.17
79814	Covalent_Unit_Count	1
121596237	Structure_Complexity	165
131728182	Exact_Mass	183.0697956
44419427	Defined_Atom_Stereo_Count	6
21499	Defined_Bond_Stereo_Count	0
597	Mono_Isotopic_Weight	111.043261792
13462625	Undefined_Atom_Stereo_Count	1
7569	Non-hydrogen_Atom_Count	29
1013376	Hydrogen_Bond_Donor_Count	3
286827	Defined_Atom_Stereo_Count	0
2725002	TPSA	39.4
158221895	Mono_Isotopic_Weight	95.037113783
8249	Rotatable_Bond_Count	4
3032396	Mono_Isotopic_Weight	623.21150888
77058	XLogP3-AA	3.2
522417	Rotatable_Bond_Count	5
72326	Defined_Atom_Stereo_Count	10
69873	Covalent_Unit_Count	1
13247016	Structure_Complexity	44.8
75614	Structure_Complexity	432
44318267	Covalent_Unit_Count	1
16318	Molecular_Weight	498.6
8711	Covalent_Unit_Count	1
232656	Structure_Complexity	120
43233	TPSA	49.2
54580844	Exact_Mass	275.12340382
9794485	Structure_Complexity	193
57073922	Undefined_Atom_Stereo_Count	1
14343599	Undefined_Atom_Stereo_Count	0
18980923	Molecular_Weight	99.13
445212	Defined_Atom_Stereo_Count	4
69963	Tautomer_Count	1
656867	Hydrogen_Bond_Donor_Count	2
20485728	Hydrogen_Bond_Acceptor_Count	2
56670168	Hydrogen_Bond_Acceptor_Count	7
19621	Hydrogen_Bond_Acceptor_Count	13
135854412	Rotatable_Bond_Count	0
22286946	Mono_Isotopic_Weight	99.068413911
6539985	Isotope_Atom_Count	0
15348	Defined_Bond_Stereo_Count	0
19604	Defined_Bond_Stereo_Count	0
1549062	Undefined_Atom_Stereo_Count	0
5154	Structure_Complexity	530
25019176	Hydrogen_Bond_Donor_Count	6
19284	Rotatable_Bond_Count	16
21719953	Total_Formal_Charge	0
71625880	Covalent_Unit_Count	1
13856554	XLogP3-AA	0.8
6974	Defined_Bond_Stereo_Count	0
60196273	Hydrogen_Bond_Acceptor_Count	5
89663	Isotope_Atom_Count	0
12289818	XLogP3-AA	0.2
14298876	Exact_Mass	86.084398327
11062335	Molecular_Weight	110.15
71541189	Total_Formal_Charge	0
156615632	Hydrogen_Bond_Donor_Count	8
10197625	Structure_Complexity	30.7
57370827	Isotope_Atom_Count	0
68284	Defined_Atom_Stereo_Count	0
22612	Hydrogen_Bond_Donor_Count	2
11734	Structure_Complexity	61.8
186114	Non-hydrogen_Atom_Count	6
54537	Tautomer_Count	2
76415	Total_Formal_Charge	0
85891258	Defined_Bond_Stereo_Count	0
136642	Defined_Atom_Stereo_Count	0
122174042	Mono_Isotopic_Weight	827.46672049
2852	Structure_Complexity	948
95362	Tautomer_Count	1
36457	Defined_Bond_Stereo_Count	0
11843834	Defined_Atom_Stereo_Count	0
10390369	Undefined_Bond_Stereo_Count	0
60196333	Total_Formal_Charge	0
133611834	Defined_Bond_Stereo_Count	1
140979362	Non-hydrogen_Atom_Count	7
6604200	Hydrogen_Bond_Donor_Count	1
154517172	Mono_Isotopic_Weight	97.089149355
5358902	Structure_Complexity	159
139080230	Defined_Bond_Stereo_Count	2
11040	Mono_Isotopic_Weight	104.047344113
750284	Defined_Bond_Stereo_Count	0
7746	Covalent_Unit_Count	1
235738	Undefined_Bond_Stereo_Count	0
157690	Exact_Mass	540.13779329
28094582	Structure_Complexity	222
87560	Covalent_Unit_Count	1
55281352	Undefined_Bond_Stereo_Count	0
72221005	Exact_Mass	95.048347172
89103941	Undefined_Atom_Stereo_Count	2
150718	Defined_Atom_Stereo_Count	0
4359436	Hydrogen_Bond_Acceptor_Count	2
12268621	Isotope_Atom_Count	0
1810216	Hydrogen_Bond_Acceptor_Count	3
22617237	TPSA	81.5
15567019	Isotope_Atom_Count	0
18764599	Non-hydrogen_Atom_Count	8
2901	Isotope_Atom_Count	0
53766038	TPSA	38.7
5359484	Exact_Mass	289.0861010
443151	Non-hydrogen_Atom_Count	30
6950578	Undefined_Bond_Stereo_Count	0
27581	Covalent_Unit_Count	1
16211656	Mono_Isotopic_Weight	235.9804853
149697	Covalent_Unit_Count	1
7530	Mono_Isotopic_Weight	122.073164938
13404	Mono_Isotopic_Weight	173.9639201
22015243	Exact_Mass	114.068079557
12364760	Hydrogen_Bond_Acceptor_Count	1
123792659	Mono_Isotopic_Weight	110.109550447
16219903	Exact_Mass	614.38186868
10657742	Total_Formal_Charge	0
14262	Rotatable_Bond_Count	0
53657	Undefined_Atom_Stereo_Count	0
89760664	Undefined_Atom_Stereo_Count	0
13743	Molecular_Weight	271.27
7340	Defined_Atom_Stereo_Count	0
9570985	Non-hydrogen_Atom_Count	38
1394	Rotatable_Bond_Count	21
1990	Mono_Isotopic_Weight	75.032028402
57416910	Hydrogen_Bond_Acceptor_Count	3
121492004	Total_Formal_Charge	0
65564	Total_Formal_Charge	0
12211639	Structure_Complexity	56.7
53630039	Exact_Mass	90.031694049
20323899	Defined_Atom_Stereo_Count	0
86640	Non-hydrogen_Atom_Count	13
1820	Hydrogen_Bond_Acceptor_Count	3
70034662	Total_Formal_Charge	0
123481823	Rotatable_Bond_Count	0
172285	TPSA	143
22174643	Structure_Complexity	57.1
54582822	Undefined_Bond_Stereo_Count	0
103563866	Mono_Isotopic_Weight	111.068413911
16837	Rotatable_Bond_Count	4
138510	Rotatable_Bond_Count	1
89808883	Molecular_Weight	101.15
17458	Molecular_Weight	386.4
20035332	Mono_Isotopic_Weight	84.057514874
70390	Mono_Isotopic_Weight	226.110613074
57465453	Isotope_Atom_Count	0
1783	Structure_Complexity	529
951315	Defined_Bond_Stereo_Count	0
688303	Covalent_Unit_Count	1
79103	TPSA	17.1
90488948	XLogP3-AA	1.9
65327	Non-hydrogen_Atom_Count	21
13595226	Structure_Complexity	109
40898	Defined_Bond_Stereo_Count	0
5353761	TPSA	26.3
53249491	Undefined_Bond_Stereo_Count	0
76989	Undefined_Atom_Stereo_Count	0
71624344	Defined_Atom_Stereo_Count	0
5488345	Isotope_Atom_Count	0
13095	Isotope_Atom_Count	0
21930812	TPSA	50.1
79095	Rotatable_Bond_Count	1
13611091	Rotatable_Bond_Count	0
133268468	Undefined_Atom_Stereo_Count	0
257156	Structure_Complexity	270
133562634	Isotope_Atom_Count	0
142149539	Isotope_Atom_Count	0
7048801	Rotatable_Bond_Count	3
92024228	Hydrogen_Bond_Donor_Count	4
16404350	Molecular_Weight	1202.6
529212	Isotope_Atom_Count	0
64	Hydrogen_Bond_Donor_Count	2
2377	XLogP3-AA	4.1
14078850	Covalent_Unit_Count	1
10796238	Exact_Mass	1095.46702979
86083878	TPSA	0
20228407	Isotope_Atom_Count	0
21595393	Total_Formal_Charge	1
53479	Non-hydrogen_Atom_Count	14
62873	Hydrogen_Bond_Acceptor_Count	6
708614	Isotope_Atom_Count	0
44404716	Hydrogen_Bond_Donor_Count	0
449488	Mono_Isotopic_Weight	72.068748264
222465	Undefined_Atom_Stereo_Count	0
10219396	Isotope_Atom_Count	0
11763533	Non-hydrogen_Atom_Count	37
16683101	Isotope_Atom_Count	0
60196397	Hydrogen_Bond_Donor_Count	0
885569	Isotope_Atom_Count	0
33112	Mono_Isotopic_Weight	224.1291556
18432427	Structure_Complexity	286
442374	Defined_Atom_Stereo_Count	0
13140	Covalent_Unit_Count	1
91563	Covalent_Unit_Count	1
91260	Defined_Atom_Stereo_Count	0
54391876	Defined_Bond_Stereo_Count	0
151115	Hydrogen_Bond_Acceptor_Count	7
2564	Structure_Complexity	267
87322	XLogP3-AA	1.4
23679441	Undefined_Atom_Stereo_Count	0
38031	Non-hydrogen_Atom_Count	15
54582823	Undefined_Bond_Stereo_Count	0
47318	Defined_Atom_Stereo_Count	0
11147714	Hydrogen_Bond_Donor_Count	0
6473876	Defined_Atom_Stereo_Count	13
5288527	Rotatable_Bond_Count	4
120269	Structure_Complexity	50.9
52083990	Isotope_Atom_Count	0
9826528	Undefined_Bond_Stereo_Count	0
90687044	TPSA	30.7
5924208	TPSA	49.3
6328152	Undefined_Atom_Stereo_Count	0
61701	Structure_Complexity	208
5289394	Tautomer_Count	4
3661	Undefined_Bond_Stereo_Count	0
11860	Undefined_Bond_Stereo_Count	0
10449	XLogP3-AA	1.3
25171648	Undefined_Atom_Stereo_Count	0
44407	Undefined_Atom_Stereo_Count	0
423438	Isotope_Atom_Count	0
39042	Structure_Complexity	452
25271884	Undefined_Bond_Stereo_Count	0
49217	Hydrogen_Bond_Acceptor_Count	4
17860	Tautomer_Count	1
88767	Molecular_Weight	355.3
71245288	Molecular_Weight	445.5
166734	Total_Formal_Charge	0
42602176	XLogP3-AA	1.3
24197375	Hydrogen_Bond_Donor_Count	3
320055	Non-hydrogen_Atom_Count	8
9809002	Non-hydrogen_Atom_Count	44
25190761	XLogP3-AA	3.6
5347	Isotope_Atom_Count	0
5463153	Hydrogen_Bond_Donor_Count	0
6492	Undefined_Atom_Stereo_Count	4
9541	Rotatable_Bond_Count	8
8496	Rotatable_Bond_Count	2
82143	Covalent_Unit_Count	1
17954	Mono_Isotopic_Weight	285.13649347
24825271	XLogP3-AA	2.7
16090272	Isotope_Atom_Count	0
3343	Defined_Bond_Stereo_Count	0
11412355	Defined_Bond_Stereo_Count	0
23663404	Total_Formal_Charge	0
10855428	Total_Formal_Charge	0
72004	Defined_Atom_Stereo_Count	4
284980	Total_Formal_Charge	0
5281515	Mono_Isotopic_Weight	204.187800766
1712058	Structure_Complexity	199
102029	Total_Formal_Charge	0
994872	Rotatable_Bond_Count	8
5167	TPSA	140
98310	Undefined_Bond_Stereo_Count	0
6618895	Undefined_Bond_Stereo_Count	0
4250936	Hydrogen_Bond_Acceptor_Count	1
8954	Hydrogen_Bond_Donor_Count	2
667450	Total_Formal_Charge	0
54455096	Exact_Mass	116.083729621
15509898	Covalent_Unit_Count	1
3363	Defined_Bond_Stereo_Count	0
135443389	Structure_Complexity	142
118689592	Exact_Mass	665.30474055
9727	Non-hydrogen_Atom_Count	11
11969781	Molecular_Weight	643.6
11051613	Rotatable_Bond_Count	2
4113	Total_Formal_Charge	0
90753032	Undefined_Bond_Stereo_Count	0
57394330	Defined_Atom_Stereo_Count	3
93279	Rotatable_Bond_Count	6
4141522	Structure_Complexity	149
33627	Non-hydrogen_Atom_Count	32
115011065	Defined_Atom_Stereo_Count	0
18542136	Undefined_Atom_Stereo_Count	0
46274	Defined_Atom_Stereo_Count	0
11815299	Structure_Complexity	32.9
56841939	Total_Formal_Charge	0
544792	Non-hydrogen_Atom_Count	6
15945857	Exact_Mass	387.16952493
441348	Undefined_Atom_Stereo_Count	0
5447130	Hydrogen_Bond_Acceptor_Count	5
57390797	Mono_Isotopic_Weight	428.31512653
23083536	Defined_Bond_Stereo_Count	0
57340472	Undefined_Bond_Stereo_Count	0
163050679	Structure_Complexity	415
7219	Hydrogen_Bond_Donor_Count	0
3826	Rotatable_Bond_Count	3
14464337	TPSA	213
151419	Non-hydrogen_Atom_Count	19
78234	Rotatable_Bond_Count	12
54725318	Hydrogen_Bond_Donor_Count	3
73075931	Molecular_Weight	378.4
54111	Mono_Isotopic_Weight	289.0401358
12231382	Non-hydrogen_Atom_Count	8
70580528	Molecular_Weight	378.4
519642	Hydrogen_Bond_Donor_Count	0
41114	Exact_Mass	515.1823134
64617	Mono_Isotopic_Weight	276.183778013
7530950	Hydrogen_Bond_Donor_Count	0
1235	Defined_Bond_Stereo_Count	0
60702934	Defined_Bond_Stereo_Count	0
72323	Covalent_Unit_Count	1
11296583	Rotatable_Bond_Count	7
11029783	Defined_Bond_Stereo_Count	0
53643410	Structure_Complexity	66.7
93205	Mono_Isotopic_Weight	385.17500423
72728884	Undefined_Bond_Stereo_Count	1
10096344	Structure_Complexity	885
151275184	Undefined_Atom_Stereo_Count	2
9793705	XLogP3-AA	0.5
15559064	Hydrogen_Bond_Donor_Count	0
72196309	Undefined_Atom_Stereo_Count	1
21720414	Undefined_Bond_Stereo_Count	0
30959	Rotatable_Bond_Count	7
77781	Rotatable_Bond_Count	8
4659	Molecular_Weight	407.14
54323317	Exact_Mass	303.14705815
30541	Defined_Bond_Stereo_Count	0
9170	Molecular_Weight	228.3
192843	Covalent_Unit_Count	1
859174	Total_Formal_Charge	0
19068741	Rotatable_Bond_Count	1
15325996	Covalent_Unit_Count	1
1256	XLogP3-AA	2.7
150558758	Defined_Bond_Stereo_Count	0
9868580	Tautomer_Count	2
42231	Undefined_Atom_Stereo_Count	0
58752	Mono_Isotopic_Weight	496.13000
40411	Exact_Mass	242.09027155
42239	Undefined_Atom_Stereo_Count	0
41867	Hydrogen_Bond_Acceptor_Count	12
39793	Hydrogen_Bond_Acceptor_Count	4
1533	XLogP3	0.6
203433	Undefined_Atom_Stereo_Count	0
9989226	Non-hydrogen_Atom_Count	5
137274216	TPSA	257
9624	Exact_Mass	179.85445
88239551	TPSA	26
15050	Defined_Atom_Stereo_Count	0
122797	Defined_Atom_Stereo_Count	4
87689	Non-hydrogen_Atom_Count	12
44414758	XLogP3-AA	4.8
135402338	Exact_Mass	267.06439116
11317	Undefined_Atom_Stereo_Count	0
62436	Structure_Complexity	230
21702818	Molecular_Weight	109.13
136874	Defined_Atom_Stereo_Count	0
16726085	Total_Formal_Charge	0
76497	Hydrogen_Bond_Donor_Count	2
5074	TPSA	61.2
53322797	Structure_Complexity	650
3955	Isotope_Atom_Count	0
4865	Molecular_Weight	414.4
5608	Structure_Complexity	1420
123273783	Mono_Isotopic_Weight	106.078250319
94232	Defined_Atom_Stereo_Count	0
68093	Structure_Complexity	324
94220	Hydrogen_Bond_Acceptor_Count	2
162883448	Undefined_Bond_Stereo_Count	0
15109	Covalent_Unit_Count	1
160458	Rotatable_Bond_Count	0
156519226	Exact_Mass	110.073164938
518924	Undefined_Bond_Stereo_Count	0
59015	Defined_Bond_Stereo_Count	0
71106	TPSA	74.6
97816	Undefined_Bond_Stereo_Count	0
446284	XLogP3-AA	5.6
177	Exact_Mass	44.026214747
9579578	Defined_Atom_Stereo_Count	1
104930	Hydrogen_Bond_Donor_Count	0
4116	Undefined_Atom_Stereo_Count	0
328561	Rotatable_Bond_Count	1
31260	Molecular_Weight	88.15
97698	Hydrogen_Bond_Donor_Count	0
57327016	Exact_Mass	784.27781479
3002190	Non-hydrogen_Atom_Count	58
12848394	TPSA	36.3
25271884	TPSA	133
3040551	Total_Formal_Charge	0
5657	Covalent_Unit_Count	1
443040	Defined_Bond_Stereo_Count	0
65258	Isotope_Atom_Count	0
6507255	Non-hydrogen_Atom_Count	21
2453568	Molecular_Weight	184.19
21996048	Covalent_Unit_Count	1
586156	Isotope_Atom_Count	0
584807	XLogP3-AA	3.5
70684313	Exact_Mass	411.15560620
92114	Hydrogen_Bond_Donor_Count	0
136664419	Mono_Isotopic_Weight	528.21078060
67171867	Hydrogen_Bond_Donor_Count	3
5460094	Total_Formal_Charge	0
13349550	Structure_Complexity	150
52943962	Defined_Atom_Stereo_Count	0
11574638	Defined_Atom_Stereo_Count	0
145994598	Covalent_Unit_Count	1
11829400	TPSA	54
637563	Mono_Isotopic_Weight	148.088815002
11409499	Undefined_Atom_Stereo_Count	0
79089	Tautomer_Count	1
133134	Molecular_Weight	554.6
99290	Mono_Isotopic_Weight	190.09535693
133568445	Structure_Complexity	1370
122679474	Defined_Bond_Stereo_Count	0
123415454	Covalent_Unit_Count	1
147594753	Total_Formal_Charge	0
90955914	Undefined_Bond_Stereo_Count	0
13019047	Isotope_Atom_Count	0
15208	Hydrogen_Bond_Acceptor_Count	4
80376	Undefined_Bond_Stereo_Count	0
6398764	Covalent_Unit_Count	2
60984	Undefined_Bond_Stereo_Count	0
97337	Total_Formal_Charge	0
4774	XLogP3-AA	3.3
66068	Defined_Atom_Stereo_Count	0
60287	Molecular_Weight	263.37
161111	Exact_Mass	307.21811509
23651142	Rotatable_Bond_Count	5
6276	TPSA	20.2
22788210	Defined_Bond_Stereo_Count	0
6502	Mono_Isotopic_Weight	120.078644241
74615	Defined_Atom_Stereo_Count	0
25526	TPSA	175
9924495	Molecular_Weight	349.4
11501341	Covalent_Unit_Count	1
82472	Undefined_Atom_Stereo_Count	0
9902	Non-hydrogen_Atom_Count	24
447213	Undefined_Atom_Stereo_Count	0
589692	TPSA	51.6
57454999	Total_Formal_Charge	0
54576693	Non-hydrogen_Atom_Count	28
31249	Defined_Atom_Stereo_Count	0
90990	Non-hydrogen_Atom_Count	7
99894	Hydrogen_Bond_Donor_Count	1
87490405	Undefined_Atom_Stereo_Count	0
42574	Undefined_Bond_Stereo_Count	0
45479278	Rotatable_Bond_Count	33
16132446	Defined_Atom_Stereo_Count	41
3000322	TPSA	62.3
45	Hydrogen_Bond_Donor_Count	3
53378550	Defined_Bond_Stereo_Count	0
2223	Defined_Bond_Stereo_Count	0
95848	Rotatable_Bond_Count	7
20701649	Non-hydrogen_Atom_Count	7
139336513	Non-hydrogen_Atom_Count	8
45073445	Structure_Complexity	545
20652765	XLogP3-AA	1.1
12228440	Rotatable_Bond_Count	3
96147	Hydrogen_Bond_Acceptor_Count	6
11030720	Exact_Mass	196.07355886
15817	Tautomer_Count	2
5376	Undefined_Bond_Stereo_Count	1
7747	Defined_Atom_Stereo_Count	0
5625	Defined_Bond_Stereo_Count	0
25144864	Non-hydrogen_Atom_Count	78
12814867	Hydrogen_Bond_Donor_Count	1
13836896	Defined_Atom_Stereo_Count	0
18377	Covalent_Unit_Count	1
5459110	TPSA	59.1
140951	Undefined_Atom_Stereo_Count	0
41881	Non-hydrogen_Atom_Count	30
9891637	Non-hydrogen_Atom_Count	36
6434185	Isotope_Atom_Count	0
11205717	Covalent_Unit_Count	1
5367222	Undefined_Atom_Stereo_Count	0
5284614	Tautomer_Count	1
138813	Tautomer_Count	1
12540907	Defined_Atom_Stereo_Count	0
7654	Hydrogen_Bond_Donor_Count	0
132939820	Hydrogen_Bond_Donor_Count	5
92	Isotope_Atom_Count	0
67591	Structure_Complexity	204
95169	TPSA	40.2
14872976	Undefined_Bond_Stereo_Count	0
442460	Non-hydrogen_Atom_Count	14
153270	Tautomer_Count	48
153577917	Non-hydrogen_Atom_Count	8
20497	Exact_Mass	106.062994177
71717	Covalent_Unit_Count	1
44427236	Undefined_Bond_Stereo_Count	0
42091	Hydrogen_Bond_Acceptor_Count	3
59111489	Structure_Complexity	415
64709	Hydrogen_Bond_Acceptor_Count	8
98511	Non-hydrogen_Atom_Count	15
54130	Mono_Isotopic_Weight	260.152477885
1238	Defined_Atom_Stereo_Count	0
9690	Undefined_Bond_Stereo_Count	0
74484	Molecular_Weight	260.99
667468	XLogP3	4.3
94508	XLogP3-AA	2.2
9844194	XLogP3-AA	3
476	Exact_Mass	228.03988975
12086784	Defined_Bond_Stereo_Count	2
3058503	Total_Formal_Charge	0
95571	Covalent_Unit_Count	1
161122	Defined_Bond_Stereo_Count	0
17904805	Defined_Bond_Stereo_Count	0
5362115	Covalent_Unit_Count	2
734999	Non-hydrogen_Atom_Count	24
7493	Rotatable_Bond_Count	2
18939579	Isotope_Atom_Count	0
390986	Isotope_Atom_Count	0
9919942	Hydrogen_Bond_Acceptor_Count	19
86018330	TPSA	0
90658992	Rotatable_Bond_Count	6
6570	Molecular_Weight	70.09
176505	Defined_Atom_Stereo_Count	0
3798	Exact_Mass	281.116426730
637997	Defined_Atom_Stereo_Count	0
88977	Non-hydrogen_Atom_Count	23
11111992	Covalent_Unit_Count	1
6699	XLogP3-AA	5.9
22135	Isotope_Atom_Count	0
131673820	Structure_Complexity	958
94915	Defined_Bond_Stereo_Count	0
453359	Hydrogen_Bond_Donor_Count	0
44419240	Hydrogen_Bond_Acceptor_Count	3
57394260	Total_Formal_Charge	0
18477728	Mono_Isotopic_Weight	957.58135632
10771	Molecular_Weight	248.71
25014844	TPSA	86.2
109198	Total_Formal_Charge	0
6847	Total_Formal_Charge	0
32698	Undefined_Bond_Stereo_Count	0
58095461	Exact_Mass	99.104799419
18606	TPSA	60.7
19027761	Total_Formal_Charge	0
518944	Rotatable_Bond_Count	1
23981	Molecular_Weight	151.964
5043	Isotope_Atom_Count	0
9919265	Hydrogen_Bond_Donor_Count	4
57159129	Total_Formal_Charge	0
295971	Tautomer_Count	1
519946	TPSA	9.2
20484	Defined_Bond_Stereo_Count	0
162883450	TPSA	272
11093674	Exact_Mass	98.073164938
2734217	Structure_Complexity	433
3016164	TPSA	32.3
49784084	Defined_Atom_Stereo_Count	0
14227	Total_Formal_Charge	0
16212969	Exact_Mass	416.05303648
10923804	Structure_Complexity	240
7869	Mono_Isotopic_Weight	112.125200510
123789923	Hydrogen_Bond_Donor_Count	0
773	Mono_Isotopic_Weight	155.069476538
7090	Hydrogen_Bond_Donor_Count	1
13033202	Rotatable_Bond_Count	0
6450522	Undefined_Atom_Stereo_Count	1
8602	Hydrogen_Bond_Acceptor_Count	2
99477	Tautomer_Count	3
9919816	Hydrogen_Bond_Acceptor_Count	11
4194	Undefined_Bond_Stereo_Count	2
11013485	Isotope_Atom_Count	0
23121765	Hydrogen_Bond_Acceptor_Count	1
23668817	Tautomer_Count	1
69672	Isotope_Atom_Count	0
25945	Tautomer_Count	2
186100	Rotatable_Bond_Count	4
5359620	Undefined_Bond_Stereo_Count	0
136041721	Hydrogen_Bond_Donor_Count	4
26908	Structure_Complexity	361
9081	Undefined_Atom_Stereo_Count	2
70686982	Isotope_Atom_Count	0
656838	Hydrogen_Bond_Donor_Count	5
5357253	XLogP3-AA	3.6
12905357	Structure_Complexity	861
8784	XLogP3	2.1
20483595	Exact_Mass	106.053098200
75786	Rotatable_Bond_Count	4
656917	Isotope_Atom_Count	0
61254	Defined_Bond_Stereo_Count	0
16693	Molecular_Weight	189.04
137699165	TPSA	132
242912	Undefined_Bond_Stereo_Count	0
9819610	Non-hydrogen_Atom_Count	23
9853710	Molecular_Weight	774.9
6399253	Isotope_Atom_Count	0
49248	Defined_Atom_Stereo_Count	0
12091	Total_Formal_Charge	0
71296943	Undefined_Bond_Stereo_Count	1
104798	Total_Formal_Charge	2
556684	Hydrogen_Bond_Acceptor_Count	3
19846	Hydrogen_Bond_Acceptor_Count	2
44473182	Hydrogen_Bond_Donor_Count	0
73357703	Hydrogen_Bond_Donor_Count	1
20930	Undefined_Bond_Stereo_Count	1
705467	Exact_Mass	249.13649347
667467	Mono_Isotopic_Weight	315.0848484
21041051	Non-hydrogen_Atom_Count	7
490	Exact_Mass	123.99254563
2812075	Covalent_Unit_Count	1
13438401	Non-hydrogen_Atom_Count	8
58223476	Defined_Bond_Stereo_Count	0
11597936	Defined_Bond_Stereo_Count	0
73946427	Isotope_Atom_Count	0
70943	Hydrogen_Bond_Donor_Count	0
18713001	Mono_Isotopic_Weight	99.104799419
2097895	Hydrogen_Bond_Donor_Count	1
63786	Undefined_Atom_Stereo_Count	0
13808289	Undefined_Bond_Stereo_Count	0
73759973	Rotatable_Bond_Count	1
5360970	Hydrogen_Bond_Acceptor_Count	4
7017101	Hydrogen_Bond_Donor_Count	0
67123	Rotatable_Bond_Count	13
54394834	Rotatable_Bond_Count	7
2762919	Defined_Bond_Stereo_Count	0
68437	TPSA	44.8
57545	Rotatable_Bond_Count	7
387316	Rotatable_Bond_Count	7
5351387	Exact_Mass	396.09740462
4549	TPSA	95.2
18506437	Undefined_Bond_Stereo_Count	0
24871512	Rotatable_Bond_Count	3
11427553	Exact_Mass	332.16371127
13632	Mono_Isotopic_Weight	141.115364102
159977	Defined_Bond_Stereo_Count	0
67850	Hydrogen_Bond_Donor_Count	0
14852454	Total_Formal_Charge	0
142798	Structure_Complexity	112
2375	Hydrogen_Bond_Acceptor_Count	9
57318251	Defined_Atom_Stereo_Count	0
616631	TPSA	40
8192	Hydrogen_Bond_Donor_Count	0
135589409	Structure_Complexity	277
118946372	Rotatable_Bond_Count	8
796857	Rotatable_Bond_Count	2
5746249	Undefined_Bond_Stereo_Count	0
2871	Exact_Mass	362.0144595
17700	Structure_Complexity	435
7483	Defined_Atom_Stereo_Count	0
44230575	Non-hydrogen_Atom_Count	34
226764	Defined_Bond_Stereo_Count	0
19012	Hydrogen_Bond_Donor_Count	2
145391309	Exact_Mass	101.047678466
8554	Exact_Mass	194.05790880
126456023	Undefined_Bond_Stereo_Count	0
2783443	Rotatable_Bond_Count	0
59295925	Molecular_Weight	568.5
10384666	Rotatable_Bond_Count	8
21492261	Hydrogen_Bond_Acceptor_Count	1
21989049	Hydrogen_Bond_Donor_Count	2
16406	Non-hydrogen_Atom_Count	23
84599	Defined_Atom_Stereo_Count	0
58093	Molecular_Weight	217.10
12407	Tautomer_Count	1
667483	XLogP3-AA	3.8
10436103	Hydrogen_Bond_Acceptor_Count	16
96350	Defined_Atom_Stereo_Count	0
165413019	Exact_Mass	268.08076950
20449	Defined_Bond_Stereo_Count	0
54266316	Rotatable_Bond_Count	2
147895	XLogP3	2.2
47576	Total_Formal_Charge	0
54110642	Exact_Mass	118.062994177
636397	TPSA	204
34624	XLogP3-AA	3.1
5370052	Covalent_Unit_Count	1
7505	Hydrogen_Bond_Donor_Count	0
57493771	Structure_Complexity	275
101544	Undefined_Atom_Stereo_Count	0
68007244	Total_Formal_Charge	0
71857	Hydrogen_Bond_Acceptor_Count	7
253	TPSA	104
96301	Tautomer_Count	1
3845	Undefined_Bond_Stereo_Count	0
11955855	Rotatable_Bond_Count	5
34695	Defined_Bond_Stereo_Count	0
91322204	Total_Formal_Charge	0
5460541	Undefined_Atom_Stereo_Count	0
131954782	Structure_Complexity	2640
572717	Total_Formal_Charge	0
10844548	Structure_Complexity	77.7
5490846	XLogP3-AA	2
20326	Rotatable_Bond_Count	6
69491	Isotope_Atom_Count	0
46233311	Hydrogen_Bond_Donor_Count	2
71311389	Exact_Mass	257.925853
98048102	Structure_Complexity	756
499953	Isotope_Atom_Count	0
1621	Isotope_Atom_Count	0
139243813	Molecular_Weight	80.10
376375	Hydrogen_Bond_Donor_Count	2
24875372	Undefined_Atom_Stereo_Count	0
135554441	Undefined_Atom_Stereo_Count	0
53904133	Hydrogen_Bond_Donor_Count	1
67493918	Exact_Mass	112.03851076
900	Non-hydrogen_Atom_Count	19
98468	Mono_Isotopic_Weight	223.136099547
156320	Exact_Mass	343.1550360
19786354	Hydrogen_Bond_Donor_Count	0
20093425	Total_Formal_Charge	0
60196404	Covalent_Unit_Count	2
41881	TPSA	145
53398649	Defined_Atom_Stereo_Count	0
98043898	Isotope_Atom_Count	0
153989152	Undefined_Atom_Stereo_Count	0
534235	Hydrogen_Bond_Acceptor_Count	1
14794988	Non-hydrogen_Atom_Count	8
10034577	TPSA	32.3
6419722	Mono_Isotopic_Weight	121.01974964
71512	Molecular_Weight	484.16
12124007	Molecular_Weight	113.11
90488794	Undefined_Bond_Stereo_Count	0
117045887	Defined_Bond_Stereo_Count	0
45120354	Molecular_Weight	114.14
54427	Molecular_Weight	263.29
44279790	Undefined_Atom_Stereo_Count	1
5481173	XLogP3	0.4
15942852	Hydrogen_Bond_Acceptor_Count	3
733076	Molecular_Weight	241.3
75564	Hydrogen_Bond_Donor_Count	1
5959	Exact_Mass	322.0123269
88906574	Undefined_Atom_Stereo_Count	0
6858240	Hydrogen_Bond_Acceptor_Count	10
109014	Mono_Isotopic_Weight	170.084398327
5249	XLogP3-AA	6.2
9852981	XLogP3-AA	2.3
2802	Defined_Atom_Stereo_Count	0
447877	Undefined_Bond_Stereo_Count	0
71340855	Undefined_Atom_Stereo_Count	0
226832	Hydrogen_Bond_Donor_Count	2
77378	Defined_Bond_Stereo_Count	0
694857	Total_Formal_Charge	0
5360460	TPSA	95.9
1792	Undefined_Atom_Stereo_Count	0
53983207	Hydrogen_Bond_Acceptor_Count	1
20681276	Structure_Complexity	107
9543213	Isotope_Atom_Count	0
67412	Non-hydrogen_Atom_Count	10
6537431	Hydrogen_Bond_Donor_Count	3
12774278	Defined_Atom_Stereo_Count	1
10045495	Total_Formal_Charge	0
54568416	Covalent_Unit_Count	1
117516	Covalent_Unit_Count	1
17991084	Hydrogen_Bond_Donor_Count	1
7291	Hydrogen_Bond_Donor_Count	3
164084939	Isotope_Atom_Count	0
20387216	Hydrogen_Bond_Donor_Count	0
441397	Hydrogen_Bond_Acceptor_Count	9
60877	Hydrogen_Bond_Acceptor_Count	5
6594	Hydrogen_Bond_Acceptor_Count	3
505	TPSA	213
439280	Undefined_Bond_Stereo_Count	0
97046	Rotatable_Bond_Count	11
86510	Hydrogen_Bond_Donor_Count	0
52942212	Total_Formal_Charge	0
86049	Structure_Complexity	30.7
572565	Total_Formal_Charge	0
21014990	Defined_Atom_Stereo_Count	0
67113727	Rotatable_Bond_Count	2
76223	Total_Formal_Charge	0
86233	Non-hydrogen_Atom_Count	22
14020410	Undefined_Atom_Stereo_Count	2
54046888	TPSA	31.2
141343693	Undefined_Atom_Stereo_Count	2
20469	Isotope_Atom_Count	0
76959035	Non-hydrogen_Atom_Count	23
75810	Defined_Atom_Stereo_Count	0
5311504	TPSA	54.4
3724	Molecular_Weight	1550.2
21832123	Structure_Complexity	30.1
7058029	Exact_Mass	148.088815002
524667	XLogP3-AA	3.8
129830140	Total_Formal_Charge	0
640308	XLogP3-AA	0.2
4110	Defined_Atom_Stereo_Count	0
12908367	Undefined_Atom_Stereo_Count	1
404513	Defined_Bond_Stereo_Count	0
25512	Hydrogen_Bond_Donor_Count	0
60196381	Non-hydrogen_Atom_Count	27
68703149	Defined_Bond_Stereo_Count	0
208920	Defined_Bond_Stereo_Count	0
295258	XLogP3	3
689013	Exact_Mass	236.083729621
38963	Covalent_Unit_Count	2
17779	Mono_Isotopic_Weight	112.125200510
12049	Tautomer_Count	1
71403949	Structure_Complexity	394
10497540	XLogP3-AA	0.7
32131	Hydrogen_Bond_Donor_Count	3
21906940	Structure_Complexity	510
58883	Undefined_Bond_Stereo_Count	0
12414299	Rotatable_Bond_Count	0
27941	Undefined_Bond_Stereo_Count	0
19063438	Non-hydrogen_Atom_Count	8
23579326	Structure_Complexity	481
103439991	Defined_Bond_Stereo_Count	0
53394675	Rotatable_Bond_Count	1
9283	Hydrogen_Bond_Acceptor_Count	3
8629	Structure_Complexity	964
100933147	TPSA	277
1358	Mono_Isotopic_Weight	687.39556167
90894106	Hydrogen_Bond_Donor_Count	3
53705537	Defined_Atom_Stereo_Count	0
555192	Rotatable_Bond_Count	2
54051670	Undefined_Atom_Stereo_Count	0
60196405	Total_Formal_Charge	0
10058531	Rotatable_Bond_Count	4
11355992	Non-hydrogen_Atom_Count	13
15979	TPSA	0
12420192	Hydrogen_Bond_Donor_Count	1
443880	TPSA	89.9
11422859	Isotope_Atom_Count	0
5056	XLogP3-AA	3.1
24229456	Rotatable_Bond_Count	0
96132	Structure_Complexity	124
70722	Defined_Atom_Stereo_Count	0
10329273	Hydrogen_Bond_Donor_Count	1
12681	XLogP3	0.7
448513	Molecular_Weight	150.18
9413	Isotope_Atom_Count	0
54023308	Hydrogen_Bond_Acceptor_Count	1
24518	Hydrogen_Bond_Donor_Count	0
5281800	Covalent_Unit_Count	1
140554	Structure_Complexity	95
6249	Rotatable_Bond_Count	4
21702818	Mono_Isotopic_Weight	109.052763847
70032924	Covalent_Unit_Count	1
447342	Covalent_Unit_Count	1
791998	Exact_Mass	322.168127949
16048558	Hydrogen_Bond_Acceptor_Count	3
9601227	XLogP3	1.7
135424789	Hydrogen_Bond_Acceptor_Count	2
15413224	Defined_Atom_Stereo_Count	0
910268	Non-hydrogen_Atom_Count	19
71624688	TPSA	67.9
129891	Defined_Bond_Stereo_Count	0
89033918	Defined_Bond_Stereo_Count	0
12559270	Undefined_Bond_Stereo_Count	0
91667979	Covalent_Unit_Count	1
10269854	Covalent_Unit_Count	1
638186	Total_Formal_Charge	0
47289	Hydrogen_Bond_Acceptor_Count	5
56846351	Total_Formal_Charge	0
3685	XLogP3	1.9
263608	Hydrogen_Bond_Donor_Count	1
688930	Exact_Mass	286.0396719
13187	Rotatable_Bond_Count	6
22274936	Hydrogen_Bond_Acceptor_Count	7
32767	Total_Formal_Charge	0
70700401	Rotatable_Bond_Count	3
70935	Hydrogen_Bond_Donor_Count	2
60196440	Isotope_Atom_Count	0
56841655	TPSA	275
20557721	Hydrogen_Bond_Donor_Count	3
100933147	Defined_Bond_Stereo_Count	0
115071571	Undefined_Atom_Stereo_Count	0
45086609	Structure_Complexity	170
5352982	Total_Formal_Charge	0
91726	Molecular_Weight	232.23
7571	Covalent_Unit_Count	1
548282	Isotope_Atom_Count	0
946	Rotatable_Bond_Count	0
26650	Mono_Isotopic_Weight	307.17835828
47553	XLogP3	1.4
339496	Undefined_Bond_Stereo_Count	0
31416	Defined_Bond_Stereo_Count	0
725300	Isotope_Atom_Count	0
2144	Defined_Bond_Stereo_Count	0
9574768	Total_Formal_Charge	0
53754520	Defined_Bond_Stereo_Count	0
757435	Rotatable_Bond_Count	5
205953	Undefined_Atom_Stereo_Count	2
3386966	Defined_Bond_Stereo_Count	0
94987	Total_Formal_Charge	0
23707296	Exact_Mass	337.05488871
6321225	Non-hydrogen_Atom_Count	52
13385	Undefined_Bond_Stereo_Count	0
56955185	Mono_Isotopic_Weight	351.173547683
87653	Undefined_Bond_Stereo_Count	0
6918638	TPSA	104
43539930	Non-hydrogen_Atom_Count	8
55263	Molecular_Weight	217.22
57392965	Structure_Complexity	877
7881	Mono_Isotopic_Weight	210.10209608
20784557	Structure_Complexity	80.5
91822	Undefined_Bond_Stereo_Count	0
14581	Molecular_Weight	199.25
160765	Undefined_Atom_Stereo_Count	0
439782	Undefined_Atom_Stereo_Count	1
6857429	Structure_Complexity	0
2775641	Exact_Mass	114.068079557
161166	Undefined_Bond_Stereo_Count	0
52919826	Hydrogen_Bond_Acceptor_Count	5
44139752	Structure_Complexity	337
57470525	Total_Formal_Charge	0
33478	Mono_Isotopic_Weight	463.17770683
56682313	Rotatable_Bond_Count	3
210	Undefined_Bond_Stereo_Count	0
10176	Defined_Bond_Stereo_Count	0
42006	Total_Formal_Charge	0
115817	Undefined_Bond_Stereo_Count	0
10557	Non-hydrogen_Atom_Count	5
89064108	Total_Formal_Charge	0
16760595	Undefined_Atom_Stereo_Count	0
3940691	Isotope_Atom_Count	0
6538983	XLogP3-AA	4.9
519103	Non-hydrogen_Atom_Count	18
24771766	Rotatable_Bond_Count	0
21859	Defined_Bond_Stereo_Count	0
12734569	Molecular_Weight	112.17
72200166	Undefined_Atom_Stereo_Count	0
59221	Undefined_Bond_Stereo_Count	0
3874	Defined_Atom_Stereo_Count	0
88715	Non-hydrogen_Atom_Count	18
760006	Total_Formal_Charge	0
6815	Defined_Bond_Stereo_Count	0
89520	Defined_Atom_Stereo_Count	0
8667	Undefined_Bond_Stereo_Count	0
136673	Mono_Isotopic_Weight	98.109550447
88948	Covalent_Unit_Count	1
93348	Undefined_Atom_Stereo_Count	0
45358084	Covalent_Unit_Count	2
24451	Hydrogen_Bond_Donor_Count	2
58093	Hydrogen_Bond_Donor_Count	1
13795	Undefined_Bond_Stereo_Count	0
87743	Molecular_Weight	378.25
86607	TPSA	46.5
13909090	Hydrogen_Bond_Donor_Count	1
53714679	Structure_Complexity	161
356896	Undefined_Atom_Stereo_Count	0
20883	Defined_Bond_Stereo_Count	0
11970447	Hydrogen_Bond_Acceptor_Count	5
267449	Molecular_Weight	286.32
11178236	Hydrogen_Bond_Donor_Count	0
94222	Defined_Bond_Stereo_Count	0
2618	Exact_Mass	454.03001448
42553	Non-hydrogen_Atom_Count	24
80009	Defined_Atom_Stereo_Count	0
154108049	Defined_Atom_Stereo_Count	0
49865859	Isotope_Atom_Count	0
53384398	Rotatable_Bond_Count	12
517296	Molecular_Weight	960.8
59232326	Isotope_Atom_Count	0
444025	Covalent_Unit_Count	1
14578458	Non-hydrogen_Atom_Count	7
21910271	Hydrogen_Bond_Acceptor_Count	6
101658	Hydrogen_Bond_Acceptor_Count	6
16078973	Isotope_Atom_Count	0
11955716	Defined_Atom_Stereo_Count	0
14170926	Hydrogen_Bond_Acceptor_Count	2
3036640	Hydrogen_Bond_Acceptor_Count	11
90876	Structure_Complexity	834
20607721	Exact_Mass	94.078250319
11499204	Undefined_Bond_Stereo_Count	0
447518	Total_Formal_Charge	0
10305301	Molecular_Weight	677.7
94292	Hydrogen_Bond_Donor_Count	1
53779	Total_Formal_Charge	0
9864154	Non-hydrogen_Atom_Count	27
11251988	Isotope_Atom_Count	0
121494123	Molecular_Weight	7165
129670580	XLogP3-AA	3.2
71356769	Rotatable_Bond_Count	2
3943	Hydrogen_Bond_Acceptor_Count	9
11268547	Hydrogen_Bond_Donor_Count	2
14959372	Exact_Mass	215.094628657
3000241	Structure_Complexity	222
101301	Structure_Complexity	503
57077346	Mono_Isotopic_Weight	105.032697108
2724123	Structure_Complexity	131
13176	Structure_Complexity	138
3527810	Defined_Atom_Stereo_Count	0
11788264	Isotope_Atom_Count	0
90695524	TPSA	0
69561	Mono_Isotopic_Weight	318.99083258
18329551	Defined_Atom_Stereo_Count	0
22591	Defined_Atom_Stereo_Count	0
74411	Undefined_Atom_Stereo_Count	0
51055169	Non-hydrogen_Atom_Count	36
19044091	Non-hydrogen_Atom_Count	7
42613186	Isotope_Atom_Count	0
2741326	Structure_Complexity	227
17572160	Total_Formal_Charge	0
15287	Exact_Mass	104.083729621
83884	Defined_Atom_Stereo_Count	5
66537	Non-hydrogen_Atom_Count	16
5467	Rotatable_Bond_Count	8
66072	Undefined_Atom_Stereo_Count	0
24884197	Rotatable_Bond_Count	1
151175776	Structure_Complexity	113
140211	Defined_Atom_Stereo_Count	0
6538991	Undefined_Atom_Stereo_Count	1
19938783	Defined_Bond_Stereo_Count	0
59886072	Non-hydrogen_Atom_Count	12
127030167	Undefined_Atom_Stereo_Count	0
53408681	Rotatable_Bond_Count	1
135482068	Defined_Bond_Stereo_Count	1
93011	TPSA	37.4
58691	Covalent_Unit_Count	2
23681217	TPSA	81.6
103535	Defined_Bond_Stereo_Count	0
415628	Hydrogen_Bond_Acceptor_Count	2
17995824	Rotatable_Bond_Count	0
9261	Hydrogen_Bond_Acceptor_Count	2
22212137	TPSA	18.5
14653	Molecular_Weight	288.74
9884642	XLogP3	4.1
148431	Defined_Bond_Stereo_Count	0
53346495	Undefined_Bond_Stereo_Count	0
71457147	Hydrogen_Bond_Donor_Count	1
653419	Total_Formal_Charge	0
25201827	Structure_Complexity	329
38014	Hydrogen_Bond_Donor_Count	0
6498	Rotatable_Bond_Count	0
68180	Mono_Isotopic_Weight	150.00441
19380118	Defined_Atom_Stereo_Count	0
6199	Exact_Mass	186.031694049
69341269	Total_Formal_Charge	0
21389	Mono_Isotopic_Weight	348.16985928
11213	Isotope_Atom_Count	0
119205	Mono_Isotopic_Weight	358.14163842
5484727	Total_Formal_Charge	0
11335094	Exact_Mass	284.16237386
455799	Non-hydrogen_Atom_Count	43
99478	Hydrogen_Bond_Acceptor_Count	5
73280	Undefined_Bond_Stereo_Count	0
3045381	TPSA	60.5
7774	Covalent_Unit_Count	1
32443	Structure_Complexity	253
135424747	Exact_Mass	676.11560492
10909908	Rotatable_Bond_Count	4
135449328	Non-hydrogen_Atom_Count	31
3603	Molecular_Weight	349.6
480953	Non-hydrogen_Atom_Count	36
20435525	Total_Formal_Charge	1
21414	Hydrogen_Bond_Acceptor_Count	1
5282545	Isotope_Atom_Count	0
12182	Structure_Complexity	107
248580	TPSA	29.1
19633	Rotatable_Bond_Count	6
347476	XLogP3-AA	0.9
123346247	Mono_Isotopic_Weight	108.093900383
28360672	Structure_Complexity	789
75320	Defined_Bond_Stereo_Count	0
752609	Total_Formal_Charge	0
118946372	Isotope_Atom_Count	0
6699	Rotatable_Bond_Count	4
35162	Defined_Atom_Stereo_Count	0
12732836	Rotatable_Bond_Count	1
54144952	Undefined_Bond_Stereo_Count	0
261000	Tautomer_Count	13
170993	TPSA	26.3
544380	Non-hydrogen_Atom_Count	10
79688	Hydrogen_Bond_Acceptor_Count	1
10291131	Exact_Mass	343.11956635
520455	Hydrogen_Bond_Donor_Count	0
11385	Exact_Mass	194.084398327
57583195	Defined_Atom_Stereo_Count	0
712239	Defined_Bond_Stereo_Count	0
9570438	XLogP3-AA	3.8
128832	Undefined_Atom_Stereo_Count	0
11915	Undefined_Bond_Stereo_Count	0
10867	XLogP3-AA	3.9
87639	Structure_Complexity	292
230995	Defined_Atom_Stereo_Count	0
54016283	Structure_Complexity	45.8
448601	Covalent_Unit_Count	1
6438135	Structure_Complexity	1280
91170688	Hydrogen_Bond_Acceptor_Count	3
2723630	Molecular_Weight	150.3
166775	Rotatable_Bond_Count	13
53569	Hydrogen_Bond_Donor_Count	2
71783	TPSA	238
4359436	Defined_Bond_Stereo_Count	0
101882533	XLogP3-AA	2.7
87216	Hydrogen_Bond_Donor_Count	4
78328	Hydrogen_Bond_Donor_Count	1
486026	Covalent_Unit_Count	1
69190	Non-hydrogen_Atom_Count	12
10569	Undefined_Atom_Stereo_Count	0
54726193	Tautomer_Count	1000
82418997	Hydrogen_Bond_Donor_Count	0
14465	Undefined_Atom_Stereo_Count	0
14337609	Mono_Isotopic_Weight	96.057514874
11777341	Defined_Bond_Stereo_Count	0
4351	Undefined_Atom_Stereo_Count	0
153969622	Covalent_Unit_Count	1
70443535	Non-hydrogen_Atom_Count	12
17907809	Undefined_Bond_Stereo_Count	0
89077	Rotatable_Bond_Count	4
714937	Defined_Atom_Stereo_Count	0
76008	Undefined_Atom_Stereo_Count	0
136891	Hydrogen_Bond_Acceptor_Count	1
5970	Hydrogen_Bond_Donor_Count	2
83949	XLogP3-AA	3.2
444683	Total_Formal_Charge	0
6604866	Non-hydrogen_Atom_Count	22
53785673	XLogP3-AA	0.5
12882458	Undefined_Bond_Stereo_Count	0
134167153	Non-hydrogen_Atom_Count	47
51174	Hydrogen_Bond_Acceptor_Count	5
54295724	Defined_Bond_Stereo_Count	0
22967002	Isotope_Atom_Count	0
24866519	Hydrogen_Bond_Donor_Count	3
92043128	Hydrogen_Bond_Donor_Count	1
17754178	Non-hydrogen_Atom_Count	10
12387212	Undefined_Bond_Stereo_Count	0
5486971	Defined_Atom_Stereo_Count	1
7055551	XLogP3-AA	2.9
134008	Undefined_Atom_Stereo_Count	0
82505	TPSA	40.9
450598	Undefined_Bond_Stereo_Count	0
26710	Undefined_Atom_Stereo_Count	0
68489225	Exact_Mass	399.16952493
3938668	Rotatable_Bond_Count	15
2758223	Exact_Mass	197.9751535
45120378	XLogP3-AA	1.1
3803614	Defined_Bond_Stereo_Count	0
20623556	Defined_Bond_Stereo_Count	0
71151	Undefined_Atom_Stereo_Count	2
71454	Structure_Complexity	380
88578918	Molecular_Weight	101.15
796414	Exact_Mass	276.183778013
49997	Non-hydrogen_Atom_Count	26
8522	Exact_Mass	313.99161
4911	Molecular_Weight	285.36
120096	Defined_Atom_Stereo_Count	0
18760539	Undefined_Bond_Stereo_Count	0
135348034	Isotope_Atom_Count	0
477	Non-hydrogen_Atom_Count	28
11027	Molecular_Weight	152.23
107282	Hydrogen_Bond_Donor_Count	0
5889665	Hydrogen_Bond_Acceptor_Count	4
6341	Isotope_Atom_Count	0
143946	Hydrogen_Bond_Donor_Count	0
58460742	Hydrogen_Bond_Acceptor_Count	1
23695767	Defined_Atom_Stereo_Count	3
546	Exact_Mass	139.98746025
15620	Rotatable_Bond_Count	4
3033983	Exact_Mass	426.15730574
150748	Covalent_Unit_Count	1
135544137	Exact_Mass	471.10349652
25113190	Molecular_Weight	763.5
24595	Tautomer_Count	1
156120	XLogP3-AA	0
3045375	Structure_Complexity	816
90725416	Exact_Mass	904.44565070
143255	Defined_Atom_Stereo_Count	0
204	Isotope_Atom_Count	0
655960	Molecular_Weight	426.5
20695916	Structure_Complexity	70.8
89253146	Undefined_Bond_Stereo_Count	0
122639	Rotatable_Bond_Count	33
8797	Undefined_Atom_Stereo_Count	0
58660916	Isotope_Atom_Count	0
54793	Hydrogen_Bond_Donor_Count	0
897177	Structure_Complexity	501
164912	Defined_Atom_Stereo_Count	0
92461203	Exact_Mass	313.1193192
203911	Rotatable_Bond_Count	2
4180	Defined_Atom_Stereo_Count	0
148013616	Isotope_Atom_Count	0
24461	Hydrogen_Bond_Donor_Count	0
60196392	Non-hydrogen_Atom_Count	19
71359012	Total_Formal_Charge	0
12511868	Isotope_Atom_Count	0
66598080	Isotope_Atom_Count	0
11659	Exact_Mass	241.77233
28467	Defined_Bond_Stereo_Count	0
5484736	Mono_Isotopic_Weight	389.04503815
9989023	Defined_Atom_Stereo_Count	6
2843	Total_Formal_Charge	0
121892	Exact_Mass	303.13830499
10909490	Undefined_Atom_Stereo_Count	0
93186	Structure_Complexity	136
82763	Undefined_Atom_Stereo_Count	0
11650986	Mono_Isotopic_Weight	1007.56062088
63142	Hydrogen_Bond_Acceptor_Count	3
11051610	Undefined_Bond_Stereo_Count	0
118142807	Exact_Mass	126.042927438
772	Defined_Atom_Stereo_Count	0
29772	Rotatable_Bond_Count	10
54677946	Isotope_Atom_Count	0
803776	Isotope_Atom_Count	0
11804701	Defined_Bond_Stereo_Count	0
2735107	Exact_Mass	232.07452447
24875372	TPSA	99.8
517072	Non-hydrogen_Atom_Count	5
91026652	Hydrogen_Bond_Acceptor_Count	2
83909	Total_Formal_Charge	0
135399895	Non-hydrogen_Atom_Count	8
24848222	Hydrogen_Bond_Donor_Count	1
139338	Mono_Isotopic_Weight	64.0313001276
21622656	Total_Formal_Charge	0
200734	Mono_Isotopic_Weight	118.099379685
15475284	Total_Formal_Charge	0
408536	Molecular_Weight	512.6
90571	Isotope_Atom_Count	0
65872	Defined_Atom_Stereo_Count	2
33135	Defined_Atom_Stereo_Count	0
6720	TPSA	45.8
11788264	TPSA	12
25181471	Total_Formal_Charge	0
365661	Molecular_Weight	503.3
7190	TPSA	37.3
20767638	Hydrogen_Bond_Acceptor_Count	1
24779724	Structure_Complexity	494
90498	Mono_Isotopic_Weight	84.068748264
594028	Undefined_Bond_Stereo_Count	0
24116	Total_Formal_Charge	0
57725	Mono_Isotopic_Weight	286.099379685
158785912	Undefined_Atom_Stereo_Count	1
71317118	XLogP3-AA	0.2
14800	Undefined_Atom_Stereo_Count	0
11715766	Defined_Bond_Stereo_Count	0
118053313	Defined_Atom_Stereo_Count	0
3055168	Covalent_Unit_Count	1
44557554	Hydrogen_Bond_Donor_Count	2
15558640	Undefined_Bond_Stereo_Count	0
74441087	Total_Formal_Charge	1
54708862	Isotope_Atom_Count	0
72670730	Structure_Complexity	822
129696858	Defined_Bond_Stereo_Count	0
447362	Non-hydrogen_Atom_Count	30
13642940	Exact_Mass	105.032697108
75534860	Exact_Mass	665.30474055
1549103	Structure_Complexity	156
67371	Exact_Mass	477.2030488
27058	Undefined_Bond_Stereo_Count	0
86146	Hydrogen_Bond_Acceptor_Count	3
4294	Rotatable_Bond_Count	4
481	Undefined_Atom_Stereo_Count	3
43002	Hydrogen_Bond_Acceptor_Count	5
131634493	Rotatable_Bond_Count	48
38883	Exact_Mass	116.083729621
57395447	TPSA	93.8
1293762	Isotope_Atom_Count	0
118208260	Undefined_Atom_Stereo_Count	0
2942	Structure_Complexity	215
678293	Molecular_Weight	312.3
66282	Rotatable_Bond_Count	2
77152	Covalent_Unit_Count	1
24917008	Defined_Bond_Stereo_Count	0
7614	Defined_Bond_Stereo_Count	0
6000	Covalent_Unit_Count	1
3014106	Exact_Mass	112.052429494
23724965	TPSA	136
23170707	Mono_Isotopic_Weight	112.125200510
137490	XLogP3-AA	2.7
10887840	Hydrogen_Bond_Donor_Count	1
154489025	Structure_Complexity	119
65663	Covalent_Unit_Count	1
6227	XLogP3	0.4
61523	Mono_Isotopic_Weight	164.120115130
51030054	Covalent_Unit_Count	1
5702293	Defined_Atom_Stereo_Count	0
21312986	Undefined_Bond_Stereo_Count	0
4911	Rotatable_Bond_Count	7
247673	Molecular_Weight	545.5
3363	Undefined_Atom_Stereo_Count	3
21474	Defined_Atom_Stereo_Count	0
71681318	Undefined_Atom_Stereo_Count	2
134715568	Undefined_Bond_Stereo_Count	0
15541506	Undefined_Atom_Stereo_Count	0
20	Covalent_Unit_Count	1
875	TPSA	115
170234	Undefined_Atom_Stereo_Count	0
2376	Undefined_Bond_Stereo_Count	0
11281011	Rotatable_Bond_Count	11
11908385	TPSA	190
824	Isotope_Atom_Count	0
316975	Defined_Bond_Stereo_Count	0
178795	Hydrogen_Bond_Acceptor_Count	6
91245129	Undefined_Atom_Stereo_Count	0
36588	Non-hydrogen_Atom_Count	10
6953	Rotatable_Bond_Count	0
24090	Hydrogen_Bond_Donor_Count	0
51755	Tautomer_Count	1
136871	Defined_Atom_Stereo_Count	0
123298786	Defined_Atom_Stereo_Count	0
26176	Total_Formal_Charge	0
73425700	TPSA	97.3
129894295	Molecular_Weight	607.7
53870064	Structure_Complexity	113
67598	Mono_Isotopic_Weight	203.99826287
16122643	Exact_Mass	333.0628670
15427	TPSA	12.4
78759292	Rotatable_Bond_Count	1
62802	Isotope_Atom_Count	0
82752	Hydrogen_Bond_Donor_Count	0
43184	Undefined_Bond_Stereo_Count	0
44565819	Isotope_Atom_Count	0
10523409	Mono_Isotopic_Weight	371.963539
49692	Undefined_Atom_Stereo_Count	0
219833	Tautomer_Count	1
17891	Structure_Complexity	225
51948	Exact_Mass	297.18143228
46916694	Exact_Mass	432.15460314
89886	Defined_Atom_Stereo_Count	8
628281	Mono_Isotopic_Weight	310.110613074
154701841	Hydrogen_Bond_Acceptor_Count	1
68888	Mono_Isotopic_Weight	187.12084340
71312086	TPSA	98
6440176	Undefined_Bond_Stereo_Count	0
65955	Tautomer_Count	6
177085	Defined_Atom_Stereo_Count	0
6595	Tautomer_Count	2
449459	Defined_Bond_Stereo_Count	1
10953	Exact_Mass	100.052429494
11953931	Undefined_Bond_Stereo_Count	0
737375	Exact_Mass	166.05646950
135887831	Covalent_Unit_Count	1
1086	Undefined_Bond_Stereo_Count	0
440466	Structure_Complexity	711
524214	Rotatable_Bond_Count	0
11959	Mono_Isotopic_Weight	149.084063974
12285889	TPSA	110
24014	Undefined_Atom_Stereo_Count	0
5353510	Hydrogen_Bond_Acceptor_Count	10
8364	Covalent_Unit_Count	1
135497803	Covalent_Unit_Count	1
65099	Exact_Mass	510.15393443
15789	Hydrogen_Bond_Donor_Count	4
11137427	Rotatable_Bond_Count	3
196396	Mono_Isotopic_Weight	538.1765170
130380	Undefined_Atom_Stereo_Count	0
362413	Defined_Atom_Stereo_Count	1
72959169	Undefined_Atom_Stereo_Count	0
82650924	Undefined_Bond_Stereo_Count	0
122844	Hydrogen_Bond_Donor_Count	1
657378	Undefined_Bond_Stereo_Count	0
701741	Undefined_Atom_Stereo_Count	0
13562	Rotatable_Bond_Count	3
42525	Undefined_Bond_Stereo_Count	0
10290744	Total_Formal_Charge	0
10219384	Molecular_Weight	96.979
13097	Molecular_Weight	278.3
24321	Hydrogen_Bond_Acceptor_Count	1
53393583	Hydrogen_Bond_Acceptor_Count	0
2724640	Defined_Bond_Stereo_Count	0
520527	Defined_Atom_Stereo_Count	0
44310838	Hydrogen_Bond_Acceptor_Count	7
6436870	Defined_Bond_Stereo_Count	1
71583157	Hydrogen_Bond_Acceptor_Count	6
143647928	Covalent_Unit_Count	1
5271566	Covalent_Unit_Count	1
44454986	Non-hydrogen_Atom_Count	27
98651	XLogP3-AA	3.5
121827	Total_Formal_Charge	0
137148307	TPSA	140
3055171	Rotatable_Bond_Count	4
102492967	Non-hydrogen_Atom_Count	30
247	Tautomer_Count	1
118529	Isotope_Atom_Count	0
85891258	Exact_Mass	113.120449483
135409474	Mono_Isotopic_Weight	316.04775529
57401370	Total_Formal_Charge	0
10291131	Structure_Complexity	382
76048	Covalent_Unit_Count	1
85963	Tautomer_Count	1
23703990	Isotope_Atom_Count	0
55560	Non-hydrogen_Atom_Count	40
91590871	Rotatable_Bond_Count	2
76500	XLogP3-AA	1.9
25223	TPSA	26
865974	Undefined_Bond_Stereo_Count	0
6178111	Undefined_Bond_Stereo_Count	0
33613	Covalent_Unit_Count	1
10351178	Hydrogen_Bond_Donor_Count	2
13895197	Covalent_Unit_Count	1
18352756	Isotope_Atom_Count	0
18847	Undefined_Bond_Stereo_Count	0
9949821	Molecular_Weight	340.3
70070	Undefined_Atom_Stereo_Count	0
44590341	Undefined_Bond_Stereo_Count	0
5311123	Defined_Bond_Stereo_Count	0
58182899	Isotope_Atom_Count	0
3973230	Defined_Atom_Stereo_Count	0
10153996	Hydrogen_Bond_Donor_Count	1
45139106	Undefined_Bond_Stereo_Count	0
161760	Defined_Bond_Stereo_Count	0
10923804	TPSA	85.8
16051942	XLogP3-AA	3.8
139920	Structure_Complexity	41.7
7085	Rotatable_Bond_Count	1
1960	Hydrogen_Bond_Acceptor_Count	4
135410917	Tautomer_Count	4
5284656	Non-hydrogen_Atom_Count	13
65106	Structure_Complexity	403
3872	Isotope_Atom_Count	0
101882103	Hydrogen_Bond_Donor_Count	0
10980	Exact_Mass	255.931856
5367369	Exact_Mass	332.271530387
44446780	XLogP3	4.5
21019	XLogP3-AA	1.8
12634653	XLogP3-AA	1.9
141169621	Undefined_Bond_Stereo_Count	0
5324278	Covalent_Unit_Count	1
90479783	Structure_Complexity	528
198008	Molecular_Weight	482.17
119047	Undefined_Atom_Stereo_Count	0
82326	Undefined_Atom_Stereo_Count	0
22542	Covalent_Unit_Count	1
26360	Isotope_Atom_Count	0
10540046	Molecular_Weight	271.34
417349	Isotope_Atom_Count	0
11499271	Rotatable_Bond_Count	2
227260	Structure_Complexity	299
13483161	Undefined_Atom_Stereo_Count	0
10176082	Defined_Bond_Stereo_Count	0
62828	Isotope_Atom_Count	0
65677	Undefined_Atom_Stereo_Count	0
129876172	Undefined_Atom_Stereo_Count	0
444913	Molecular_Weight	972.8
54022694	Covalent_Unit_Count	1
149528181	Hydrogen_Bond_Acceptor_Count	2
220705	Undefined_Atom_Stereo_Count	0
19918	Hydrogen_Bond_Donor_Count	0
23723057	Undefined_Bond_Stereo_Count	0
42985	TPSA	132
390798	Hydrogen_Bond_Donor_Count	0
688323	Undefined_Bond_Stereo_Count	0
11518241	Structure_Complexity	647
9863303	Structure_Complexity	546
135071	Defined_Bond_Stereo_Count	0
3057	Molecular_Weight	478.6
23663412	Structure_Complexity	819
3589	Rotatable_Bond_Count	0
5288588	Undefined_Bond_Stereo_Count	0
53483390	Hydrogen_Bond_Donor_Count	6
54388248	Undefined_Atom_Stereo_Count	1
29739	Mono_Isotopic_Weight	296.16237386
8081	Mono_Isotopic_Weight	90.031694049
12762328	Defined_Bond_Stereo_Count	0
123597	Rotatable_Bond_Count	13
10953798	Hydrogen_Bond_Donor_Count	0
3560	Hydrogen_Bond_Acceptor_Count	9
21696199	Non-hydrogen_Atom_Count	7
69967	Tautomer_Count	1
148350	Undefined_Bond_Stereo_Count	0
54014389	Mono_Isotopic_Weight	92.037448136
3378440	Hydrogen_Bond_Acceptor_Count	8
528143	Undefined_Atom_Stereo_Count	0
87292009	Total_Formal_Charge	0
9205	Non-hydrogen_Atom_Count	13
27891	Covalent_Unit_Count	2
107775	Undefined_Bond_Stereo_Count	0
61186	Rotatable_Bond_Count	3
71777705	Covalent_Unit_Count	1
3923	Hydrogen_Bond_Donor_Count	2
10689555	Hydrogen_Bond_Acceptor_Count	9
69362	Molecular_Weight	118.13
62669681	XLogP3-AA	1.6
57249823	Hydrogen_Bond_Donor_Count	0
62553	Exact_Mass	178.099379685
23696271	Isotope_Atom_Count	0
40553	Exact_Mass	313.0981898
20972	Defined_Atom_Stereo_Count	0
102148036	Exact_Mass	338.16304257
54548956	Exact_Mass	112.063662883
16395904	Isotope_Atom_Count	0
154731207	Undefined_Bond_Stereo_Count	0
107202	Tautomer_Count	1
11829	Isotope_Atom_Count	0
81416328	Undefined_Atom_Stereo_Count	2
90472753	Tautomer_Count	1
656628	Defined_Atom_Stereo_Count	1
12730529	Hydrogen_Bond_Donor_Count	1
17894357	XLogP3-AA	0.5
8408	Non-hydrogen_Atom_Count	15
67233382	Rotatable_Bond_Count	3
54080009	Covalent_Unit_Count	1
5489013	Tautomer_Count	2
8655	Isotope_Atom_Count	0
49087	Mono_Isotopic_Weight	353.2121570
20486	Mono_Isotopic_Weight	421.9782500
12757	Isotope_Atom_Count	0
635	Hydrogen_Bond_Donor_Count	4
3032279	Hydrogen_Bond_Acceptor_Count	7
138986956	Undefined_Atom_Stereo_Count	0
16214946	Structure_Complexity	759
11317	TPSA	0
34769	Total_Formal_Charge	0
2347	Exact_Mass	312.13615911
5102582	Total_Formal_Charge	1
68713	Defined_Bond_Stereo_Count	0
84531	Exact_Mass	152.120115130
14818493	Total_Formal_Charge	0
65670951	Hydrogen_Bond_Donor_Count	0
87823	Defined_Bond_Stereo_Count	0
9548620	Exact_Mass	373.05012353
3081561	Hydrogen_Bond_Acceptor_Count	51
60209141	Isotope_Atom_Count	0
99681	Rotatable_Bond_Count	2
546453	Exact_Mass	494.2235301
3495982	Mono_Isotopic_Weight	250.07759887
70884982	Mono_Isotopic_Weight	342.11621151
117190135	TPSA	61.3
66297	TPSA	0
18692	Mono_Isotopic_Weight	259.90475
9090	Molecular_Weight	160.3
16212687	Defined_Atom_Stereo_Count	2
9806229	TPSA	73.4
7012	Structure_Complexity	148
49798415	Isotope_Atom_Count	0
3045225	Molecular_Weight	243.30
71360	XLogP3-AA	4.1
15830	Hydrogen_Bond_Acceptor_Count	2
12208403	Hydrogen_Bond_Acceptor_Count	4
35922	Mono_Isotopic_Weight	301.14780704
23665411	Undefined_Bond_Stereo_Count	0
24473	Undefined_Atom_Stereo_Count	2
7343	Defined_Bond_Stereo_Count	0
4100	Rotatable_Bond_Count	1
12276020	Structure_Complexity	40.8
5289332	Hydrogen_Bond_Acceptor_Count	5
24352	Non-hydrogen_Atom_Count	24
25137873	Structure_Complexity	386
130600	TPSA	13.6
277694	Exact_Mass	500.016289
41092	TPSA	17.1
721947	Hydrogen_Bond_Donor_Count	0
10427712	Hydrogen_Bond_Acceptor_Count	8
540987	Mono_Isotopic_Weight	388.20971797
444006	Rotatable_Bond_Count	12
2922	Molecular_Weight	523.6
101973938	Structure_Complexity	772
11389	TPSA	25.8
88314154	Defined_Atom_Stereo_Count	0
17950293	Mono_Isotopic_Weight	102.0469501914
701	Total_Formal_Charge	0
6439420	Isotope_Atom_Count	0
210739	Exact_Mass	251.13438547
596	Exact_Mass	243.08552052
19809513	Mono_Isotopic_Weight	94.016712692
57713	Hydrogen_Bond_Donor_Count	4
2829432	Isotope_Atom_Count	0
23692128	Hydrogen_Bond_Donor_Count	3
54572793	Isotope_Atom_Count	0
5223	Undefined_Bond_Stereo_Count	4
219104	Hydrogen_Bond_Donor_Count	1
122903	Molecular_Weight	168.15
20033044	Non-hydrogen_Atom_Count	8
142559332	Undefined_Bond_Stereo_Count	0
7121	Defined_Bond_Stereo_Count	0
3437714	Non-hydrogen_Atom_Count	12
134694738	Defined_Bond_Stereo_Count	0
39622	Covalent_Unit_Count	1
5259916	Structure_Complexity	134
12672	Non-hydrogen_Atom_Count	6
10885665	Non-hydrogen_Atom_Count	35
9812772	Non-hydrogen_Atom_Count	8
5384293	Defined_Atom_Stereo_Count	0
91538	Defined_Atom_Stereo_Count	0
265776	Defined_Bond_Stereo_Count	0
440005	Defined_Atom_Stereo_Count	1
163201191	Defined_Atom_Stereo_Count	0
91861230	Undefined_Bond_Stereo_Count	0
5288725	TPSA	49.3
147577	Molecular_Weight	400.6
5372	Rotatable_Bond_Count	7
62235132	Rotatable_Bond_Count	2
101815861	Defined_Bond_Stereo_Count	0
54685920	Tautomer_Count	420
413534	Hydrogen_Bond_Donor_Count	0
35768	Hydrogen_Bond_Acceptor_Count	0
92043261	Mono_Isotopic_Weight	215.97756350
123291798	Covalent_Unit_Count	1
22238529	Covalent_Unit_Count	1
16659677	Isotope_Atom_Count	0
12901	Defined_Atom_Stereo_Count	0
583337	Exact_Mass	177.078978594
25114553	Undefined_Bond_Stereo_Count	0
17017	Rotatable_Bond_Count	3
9297	Defined_Atom_Stereo_Count	0
91556	TPSA	63.6
6918558	Hydrogen_Bond_Acceptor_Count	4
8342	Covalent_Unit_Count	1
57864687	Defined_Atom_Stereo_Count	0
6950	Structure_Complexity	298
88454	TPSA	26.3
459971	Defined_Bond_Stereo_Count	0
161830	Non-hydrogen_Atom_Count	10
85705001	Defined_Atom_Stereo_Count	0
16213711	Defined_Atom_Stereo_Count	0
70691405	Defined_Bond_Stereo_Count	0
70610	Undefined_Atom_Stereo_Count	0
138611145	Non-hydrogen_Atom_Count	43
441254	Structure_Complexity	141
66827369	Structure_Complexity	72.2
41505	Covalent_Unit_Count	1
4865	Covalent_Unit_Count	1
9926791	Defined_Bond_Stereo_Count	0
4849	Isotope_Atom_Count	0
8091	Defined_Atom_Stereo_Count	0
24197462	Exact_Mass	397.060151
107838	Rotatable_Bond_Count	0
12367843	Rotatable_Bond_Count	0
153142415	Defined_Bond_Stereo_Count	0
88266	Defined_Atom_Stereo_Count	0
3033673	Hydrogen_Bond_Donor_Count	2
60196301	Molecular_Weight	334.2
5978	Structure_Complexity	1750
6057875	Total_Formal_Charge	0
565623	Exact_Mass	336.26644501
441397	Exact_Mass	465.15697138
5389	XLogP3-AA	2.9
10909500	Defined_Bond_Stereo_Count	0
13718	Exact_Mass	221.141578849
23616699	Hydrogen_Bond_Acceptor_Count	5
30914	Exact_Mass	122.048012819
7762	Hydrogen_Bond_Donor_Count	0
7829	Molecular_Weight	230.30
88808	Non-hydrogen_Atom_Count	21
33134	Hydrogen_Bond_Donor_Count	0
9898814	Rotatable_Bond_Count	0
16129682	Undefined_Atom_Stereo_Count	34
439186	Non-hydrogen_Atom_Count	23
51402807	Exact_Mass	464.09547607
59107407	Covalent_Unit_Count	1
3457331	Defined_Atom_Stereo_Count	0
189003	Molecular_Weight	190.18
72163100	Non-hydrogen_Atom_Count	43
449328	Covalent_Unit_Count	1
21830223	Structure_Complexity	48.1
24860971	Undefined_Atom_Stereo_Count	0
24916942	Exact_Mass	654.27615838
9847721	Mono_Isotopic_Weight	474.19031994
141082	Rotatable_Bond_Count	3
9985155	Mono_Isotopic_Weight	555.23693578
16212939	Undefined_Atom_Stereo_Count	0
445319	Non-hydrogen_Atom_Count	7
72266	Total_Formal_Charge	0
35459	Non-hydrogen_Atom_Count	12
44144393	Undefined_Atom_Stereo_Count	2
54285331	Mono_Isotopic_Weight	96.057514874
11789150	Isotope_Atom_Count	0
22640249	Defined_Bond_Stereo_Count	0
3068840	Undefined_Bond_Stereo_Count	0
161764	Structure_Complexity	585
45120354	Hydrogen_Bond_Acceptor_Count	2
76631	Defined_Atom_Stereo_Count	0
1549097	Undefined_Bond_Stereo_Count	0
222516	Hydrogen_Bond_Donor_Count	2
6464	Rotatable_Bond_Count	3
88402732	Undefined_Bond_Stereo_Count	0
49865493	Exact_Mass	305.116426730
12905357	Undefined_Bond_Stereo_Count	0
6762	Total_Formal_Charge	0
57656833	Isotope_Atom_Count	0
738244	Non-hydrogen_Atom_Count	15
23270355	Undefined_Atom_Stereo_Count	0
11098017	Total_Formal_Charge	0
90777230	Total_Formal_Charge	0
304016	Structure_Complexity	177
16015	Structure_Complexity	724
14484	Tautomer_Count	2
11233	Rotatable_Bond_Count	3
136351428	Defined_Atom_Stereo_Count	0
90355769	Hydrogen_Bond_Donor_Count	1
137092	Defined_Bond_Stereo_Count	0
16170150	Exact_Mass	1882.07388791
66509091	Mono_Isotopic_Weight	915.51914999
31729	Exact_Mass	287.15214353
45588096	Tautomer_Count	1000
390986	Defined_Atom_Stereo_Count	0
317883	Mono_Isotopic_Weight	378.08518617
2816105	Undefined_Atom_Stereo_Count	0
18049	Tautomer_Count	1
3052762	Undefined_Bond_Stereo_Count	0
79446	Non-hydrogen_Atom_Count	7
27244	XLogP3	2.6
105970	Mono_Isotopic_Weight	245.98342370
564980	Exact_Mass	177.090211983
57397461	Molecular_Weight	409.9
10662	Covalent_Unit_Count	1
3055174	TPSA	93.1
3828	Rotatable_Bond_Count	2
129714937	Hydrogen_Bond_Donor_Count	0
11725	Undefined_Atom_Stereo_Count	0
25070195	Covalent_Unit_Count	1
101609	Covalent_Unit_Count	1
5468154	Total_Formal_Charge	0
24939268	Undefined_Atom_Stereo_Count	0
60196326	Undefined_Atom_Stereo_Count	0
3033943	Non-hydrogen_Atom_Count	32
44468216	Total_Formal_Charge	0
51556	Mono_Isotopic_Weight	437.9900194
73415798	Defined_Bond_Stereo_Count	3
12263095	Undefined_Atom_Stereo_Count	0
90109	Defined_Bond_Stereo_Count	0
14896	Mono_Isotopic_Weight	136.125200510
99923	Total_Formal_Charge	0
36027	Undefined_Bond_Stereo_Count	0
4141783	Mono_Isotopic_Weight	288.175224706
139356	Isotope_Atom_Count	0
90375453	Molecular_Weight	100.12
9837656	Undefined_Bond_Stereo_Count	0
45356876	Hydrogen_Bond_Acceptor_Count	8
2315	TPSA	135
6828	Undefined_Atom_Stereo_Count	0
86582	Molecular_Weight	188.31
91881846	Structure_Complexity	337
483	Structure_Complexity	428
6914152	Molecular_Weight	448.4
62655	Hydrogen_Bond_Acceptor_Count	8
39230	XLogP3	4.5
439551	Non-hydrogen_Atom_Count	25
139064747	Non-hydrogen_Atom_Count	24
14849721	Non-hydrogen_Atom_Count	8
18338555	Molecular_Weight	126.18
18776	Molecular_Weight	681.7
137218006	Hydrogen_Bond_Donor_Count	5
6857497	Molecular_Weight	227.34
8733	Defined_Atom_Stereo_Count	0
277694	Undefined_Bond_Stereo_Count	0
4068533	Covalent_Unit_Count	2
10197665	Defined_Atom_Stereo_Count	0
135491728	Total_Formal_Charge	0
16212746	Defined_Bond_Stereo_Count	0
8678	Mono_Isotopic_Weight	182.105527694
71305061	Hydrogen_Bond_Acceptor_Count	10
28361	Total_Formal_Charge	0
6971096	Covalent_Unit_Count	1
6349	Covalent_Unit_Count	3
90479276	Undefined_Atom_Stereo_Count	2
519218	Covalent_Unit_Count	2
131632024	XLogP3-AA	2.3
16155603	Rotatable_Bond_Count	65
21470197	Isotope_Atom_Count	0
11869222	Rotatable_Bond_Count	3
29773	Tautomer_Count	1
12240	Exact_Mass	116.120115130
33960	Undefined_Bond_Stereo_Count	0
19908673	Undefined_Bond_Stereo_Count	0
17672	Undefined_Bond_Stereo_Count	0
137224318	Hydrogen_Bond_Acceptor_Count	6
18314545	Exact_Mass	101.047678466
6769	Molecular_Weight	666.7
86088606	Isotope_Atom_Count	0
135209752	Defined_Bond_Stereo_Count	0
62105	Tautomer_Count	1
45055483	TPSA	364
699165	Non-hydrogen_Atom_Count	16
60921	Structure_Complexity	979
19810797	Molecular_Weight	116.16
3655	Hydrogen_Bond_Donor_Count	2
2336530	Total_Formal_Charge	0
6432709	Total_Formal_Charge	0
86912	Molecular_Weight	392.89
94973	Molecular_Weight	110.11
4419	Molecular_Weight	357.4
23182368	Defined_Atom_Stereo_Count	0
399	Undefined_Atom_Stereo_Count	0
119096	Molecular_Weight	292.33
23665730	Defined_Bond_Stereo_Count	1
11094575	Non-hydrogen_Atom_Count	8
32756	Tautomer_Count	2
12885796	Rotatable_Bond_Count	4
101744	Total_Formal_Charge	0
19789137	Defined_Atom_Stereo_Count	0
24875236	Exact_Mass	363.14839556
360	Hydrogen_Bond_Acceptor_Count	9
653817	Isotope_Atom_Count	0
57023262	Undefined_Bond_Stereo_Count	1
117488	Exact_Mass	502.45148287
49869312	Total_Formal_Charge	0
141168949	Rotatable_Bond_Count	1
84762050	TPSA	46.3
67246787	Structure_Complexity	652
23283068	Hydrogen_Bond_Donor_Count	0
296732	Defined_Atom_Stereo_Count	0
85032	Undefined_Atom_Stereo_Count	0
69146	Hydrogen_Bond_Donor_Count	0
11993	TPSA	0
24822135	Structure_Complexity	555
119032	Hydrogen_Bond_Acceptor_Count	7
124009720	Defined_Bond_Stereo_Count	0
3032572	Total_Formal_Charge	0
76997	Covalent_Unit_Count	1
56598471	Defined_Atom_Stereo_Count	0
23700188	Undefined_Atom_Stereo_Count	0
163326	Defined_Bond_Stereo_Count	0
9889823	Molecular_Weight	447.5
91365800	Structure_Complexity	96.3
9577230	Rotatable_Bond_Count	16
636401	Isotope_Atom_Count	0
8527	Covalent_Unit_Count	1
11519741	Structure_Complexity	647
68764493	Rotatable_Bond_Count	0
558359	Undefined_Atom_Stereo_Count	1
17155	Defined_Bond_Stereo_Count	0
134693315	Covalent_Unit_Count	1
4727	Defined_Bond_Stereo_Count	0
22149470	TPSA	29
68668153	Undefined_Atom_Stereo_Count	0
136502	Exact_Mass	96.068748264
13428	Exact_Mass	260.873189
4320774	Isotope_Atom_Count	0
10462	Undefined_Atom_Stereo_Count	0
3034811	Structure_Complexity	2.8
123659755	Undefined_Bond_Stereo_Count	0
151171	Hydrogen_Bond_Acceptor_Count	3
5228468	Non-hydrogen_Atom_Count	10
23677676	Defined_Atom_Stereo_Count	0
5230729	Structure_Complexity	262
135398735	Undefined_Bond_Stereo_Count	0
70977832	Undefined_Atom_Stereo_Count	4
12309460	Molecular_Weight	406.9
10044792	Molecular_Weight	372.4
9794203	Covalent_Unit_Count	1
7567	TPSA	6.5
8267	Hydrogen_Bond_Acceptor_Count	4
118008485	Isotope_Atom_Count	0
3715	Tautomer_Count	5
11858	Exact_Mass	164.0240218
12507028	Defined_Bond_Stereo_Count	0
59875983	Total_Formal_Charge	0
6552009	Covalent_Unit_Count	1
19830380	TPSA	60.7
65489	Isotope_Atom_Count	0
5311236	Total_Formal_Charge	0
40471	TPSA	0
12200749	Covalent_Unit_Count	1
51253	Hydrogen_Bond_Acceptor_Count	2
13042689	Mono_Isotopic_Weight	112.088815002
13647	Undefined_Atom_Stereo_Count	0
130224237	Undefined_Bond_Stereo_Count	0
16667738	Structure_Complexity	552
237766	Hydrogen_Bond_Donor_Count	0
359231	Structure_Complexity	96.6
61664	Tautomer_Count	3
5756	Total_Formal_Charge	0
45934310	Defined_Atom_Stereo_Count	4
5284549	Mono_Isotopic_Weight	324.02722052
448545	Rotatable_Bond_Count	6
21930509	Hydrogen_Bond_Donor_Count	1
4914117	Undefined_Bond_Stereo_Count	0
19262	Covalent_Unit_Count	1
21460	Total_Formal_Charge	0
139444	Hydrogen_Bond_Acceptor_Count	0
5344	Defined_Atom_Stereo_Count	0
136005230	Defined_Atom_Stereo_Count	0
128	Isotope_Atom_Count	0
171375	Hydrogen_Bond_Donor_Count	4
18603	Mono_Isotopic_Weight	243.87345
62705687	Mono_Isotopic_Weight	458.13142291
54332589	Hydrogen_Bond_Acceptor_Count	1
3708	Exact_Mass	342.03104260
440577	Isotope_Atom_Count	0
51021	Defined_Bond_Stereo_Count	0
131632024	Rotatable_Bond_Count	0
11269429	Undefined_Atom_Stereo_Count	0
8001	Mono_Isotopic_Weight	199.88363
13400858	Undefined_Atom_Stereo_Count	1
20056626	Mono_Isotopic_Weight	242.13002836
54681623	Structure_Complexity	600
23432895	Defined_Bond_Stereo_Count	0
69632	Undefined_Bond_Stereo_Count	0
5078	Defined_Atom_Stereo_Count	0
11210173	Isotope_Atom_Count	0
69204	Undefined_Atom_Stereo_Count	0
3014084	Exact_Mass	99.032028402
57123750	Structure_Complexity	2330
94543	Structure_Complexity	174
69507	Undefined_Atom_Stereo_Count	0
18600476	Molecular_Weight	362.42
8720	Mono_Isotopic_Weight	176.92948127
10888022	Tautomer_Count	1
84647732	Non-hydrogen_Atom_Count	8
53810451	Undefined_Bond_Stereo_Count	0
3032806	Defined_Atom_Stereo_Count	10
12844	Undefined_Atom_Stereo_Count	1
10017019	Isotope_Atom_Count	0
137090	Defined_Bond_Stereo_Count	0
10677836	XLogP3-AA	7.5
137782	TPSA	0
11550004	Non-hydrogen_Atom_Count	7
16678407	Structure_Complexity	552
22628836	XLogP3-AA	0.3
529389	Non-hydrogen_Atom_Count	8
16050551	Exact_Mass	367.22597718
31364	Non-hydrogen_Atom_Count	13
2733224	Non-hydrogen_Atom_Count	7
11017510	Mono_Isotopic_Weight	610.14628337
78847	TPSA	81.6
2775816	Mono_Isotopic_Weight	124.0403406
7195	Undefined_Atom_Stereo_Count	0
44144434	Defined_Atom_Stereo_Count	0
62656	Defined_Atom_Stereo_Count	0
8543	Non-hydrogen_Atom_Count	19
53314962	Rotatable_Bond_Count	4
86014	Rotatable_Bond_Count	0
18521	Defined_Bond_Stereo_Count	0
10909430	Exact_Mass	1421.74894144
202877	Isotope_Atom_Count	0
9387	TPSA	0
171284	Total_Formal_Charge	0
8499	Non-hydrogen_Atom_Count	12
5808	Rotatable_Bond_Count	4
15853200	Rotatable_Bond_Count	2
22574	Defined_Atom_Stereo_Count	0
5354280	XLogP3-AA	2.9
40467346	XLogP3-AA	5.7
16129620	TPSA	1470
45788576	Mono_Isotopic_Weight	111.068413911
550525	Molecular_Weight	338.60
524671	Non-hydrogen_Atom_Count	8
6335986	Hydrogen_Bond_Acceptor_Count	11
17818	TPSA	46.2
25522	Non-hydrogen_Atom_Count	24
60050	Rotatable_Bond_Count	3
3083444	Hydrogen_Bond_Acceptor_Count	49
67058	TPSA	55
38016	XLogP3	7.1
17754089	Isotope_Atom_Count	0
9920327	Isotope_Atom_Count	0
1549018	Hydrogen_Bond_Acceptor_Count	1
534324	Defined_Atom_Stereo_Count	0
5988	Structure_Complexity	395
5281080	TPSA	145
4745	Total_Formal_Charge	0
626	Molecular_Weight	180.16
60652	Defined_Atom_Stereo_Count	0
520540	Molecular_Weight	84.12
163304497	Mono_Isotopic_Weight	852.15113847
135449328	Exact_Mass	446.12600561
19773393	TPSA	25.2
63303	Total_Formal_Charge	1
5011	Defined_Atom_Stereo_Count	0
9881504	Tautomer_Count	2
2724411	Defined_Bond_Stereo_Count	0
23716436	Defined_Atom_Stereo_Count	0
447480	Rotatable_Bond_Count	4
13037934	Rotatable_Bond_Count	15
961	Non-hydrogen_Atom_Count	1
60196366	Defined_Bond_Stereo_Count	0
54173442	Undefined_Atom_Stereo_Count	0
81415695	Mono_Isotopic_Weight	112.088815002
14671576	Hydrogen_Bond_Donor_Count	0
67916	Undefined_Atom_Stereo_Count	0
8413	Non-hydrogen_Atom_Count	16
442993	Exact_Mass	305.16270821
9955534	Undefined_Bond_Stereo_Count	0
17218	Tautomer_Count	1
11250029	Mono_Isotopic_Weight	569.26381923
20393	Covalent_Unit_Count	1
107760	Rotatable_Bond_Count	9
122004	Exact_Mass	125.058911855
13334303	Covalent_Unit_Count	1
3155	Hydrogen_Bond_Acceptor_Count	2
13464501	Rotatable_Bond_Count	2
22091031	Exact_Mass	114.068079557
119489	TPSA	45.4
12074364	Defined_Atom_Stereo_Count	0
26618	Isotope_Atom_Count	0
321710	Undefined_Atom_Stereo_Count	0
423	Undefined_Atom_Stereo_Count	1
60678	Total_Formal_Charge	0
62484	Covalent_Unit_Count	1
101663894	TPSA	121
2779183	Hydrogen_Bond_Acceptor_Count	1
404422	Rotatable_Bond_Count	5
157350	Rotatable_Bond_Count	0
24648	Isotope_Atom_Count	0
89053264	Non-hydrogen_Atom_Count	8
34208	Covalent_Unit_Count	1
12959020	Rotatable_Bond_Count	0
94570	Non-hydrogen_Atom_Count	12
22934413	Isotope_Atom_Count	0
23278031	Isotope_Atom_Count	0
23940	Defined_Atom_Stereo_Count	0
3014827	Total_Formal_Charge	0
441409	Molecular_Weight	484.4
57286	Structure_Complexity	305
14679813	Molecular_Weight	645.8
3609	Total_Formal_Charge	0
13201	Tautomer_Count	1
826870	TPSA	20.3
156594090	Total_Formal_Charge	0
135400184	Non-hydrogen_Atom_Count	20
23666830	Undefined_Atom_Stereo_Count	1
5363095	Tautomer_Count	1
76819	Rotatable_Bond_Count	2
87869859	Covalent_Unit_Count	1
2724290	Undefined_Atom_Stereo_Count	0
6869	Molecular_Weight	350.4
49865972	Molecular_Weight	354.4
85117	Isotope_Atom_Count	0
123072	Non-hydrogen_Atom_Count	18
5328126	Hydrogen_Bond_Donor_Count	2
779642	Covalent_Unit_Count	1
2950	Undefined_Bond_Stereo_Count	0
1507	Total_Formal_Charge	1
135403647	TPSA	221
82400	Defined_Atom_Stereo_Count	5
25263111	Structure_Complexity	687
22475	Structure_Complexity	284
12704953	Isotope_Atom_Count	0
50895	Non-hydrogen_Atom_Count	24
159269	Defined_Atom_Stereo_Count	3
132917192	Covalent_Unit_Count	1
5281769	Defined_Atom_Stereo_Count	4
13594	Hydrogen_Bond_Donor_Count	0
135398678	Rotatable_Bond_Count	0
14534553	Structure_Complexity	649
18728	TPSA	0
93898	Rotatable_Bond_Count	0
66587017	Total_Formal_Charge	0
5311217	Isotope_Atom_Count	0
162349	Tautomer_Count	1
14830385	Defined_Atom_Stereo_Count	0
139062655	Defined_Bond_Stereo_Count	0
66906036	Undefined_Bond_Stereo_Count	0
961335	Exact_Mass	197.121592296
447534	Hydrogen_Bond_Acceptor_Count	4
501391	Exact_Mass	219.14705815
57396607	Defined_Bond_Stereo_Count	0
7792	Mono_Isotopic_Weight	158.167065321
6539038	Defined_Atom_Stereo_Count	0
29701	Defined_Atom_Stereo_Count	0
59703148	Non-hydrogen_Atom_Count	8
9884817	Non-hydrogen_Atom_Count	25
117717938	Undefined_Bond_Stereo_Count	0
3165	Structure_Complexity	364
5380876	Rotatable_Bond_Count	0
15671	Structure_Complexity	662
5284441	Isotope_Atom_Count	0
13163928	Exact_Mass	112.052429494
587	Mono_Isotopic_Weight	211.03580743
12260467	XLogP3-AA	1.3
18922	Rotatable_Bond_Count	0
7588	Non-hydrogen_Atom_Count	22
676454	Non-hydrogen_Atom_Count	10
124723	Hydrogen_Bond_Acceptor_Count	3
6433412	Undefined_Bond_Stereo_Count	0
788781	XLogP3-AA	4.3
3392	Defined_Atom_Stereo_Count	0
11365506	Non-hydrogen_Atom_Count	38
70697656	Undefined_Bond_Stereo_Count	0
4154719	Hydrogen_Bond_Donor_Count	1
6901	Mono_Isotopic_Weight	257.813116
11551	Defined_Atom_Stereo_Count	0
11650986	Undefined_Atom_Stereo_Count	0
58913258	Rotatable_Bond_Count	1
72402	Hydrogen_Bond_Acceptor_Count	6
23688976	Defined_Atom_Stereo_Count	0
444266	Molecular_Weight	116.07
156618034	Hydrogen_Bond_Acceptor_Count	11
24978514	TPSA	164
41020	Total_Formal_Charge	0
11618	Molecular_Weight	100.16
11219835	Undefined_Atom_Stereo_Count	0
15703	Undefined_Bond_Stereo_Count	0
6961	Hydrogen_Bond_Donor_Count	4
88045	Total_Formal_Charge	0
18179173	XLogP3-AA	0.6
1271	TPSA	101
52141942	Isotope_Atom_Count	0
337310	Undefined_Bond_Stereo_Count	0
25171662	XLogP3-AA	2.1
90993	Mono_Isotopic_Weight	244.121177757
594832	Structure_Complexity	193
101497	Total_Formal_Charge	0
272079	Undefined_Atom_Stereo_Count	0
89576913	Undefined_Bond_Stereo_Count	0
10633	Molecular_Weight	304.5
4441	Covalent_Unit_Count	1
40807	Undefined_Atom_Stereo_Count	0
127394	Structure_Complexity	389
12603472	Total_Formal_Charge	0
10457387	Undefined_Bond_Stereo_Count	0
51170	Structure_Complexity	209
135410914	Covalent_Unit_Count	1
524640	Structure_Complexity	96.6
84081492	Exact_Mass	114.104465066
16375	Structure_Complexity	48.1
22213349	Exact_Mass	102.079312947
33958	Hydrogen_Bond_Donor_Count	2
6454737	Isotope_Atom_Count	0
44531649	Covalent_Unit_Count	1
6992563	Tautomer_Count	4
28506	Non-hydrogen_Atom_Count	16
25005580	Rotatable_Bond_Count	7
9869877	Undefined_Atom_Stereo_Count	0
12554265	Defined_Bond_Stereo_Count	0
446156	Isotope_Atom_Count	0
8006	Defined_Bond_Stereo_Count	0
53466061	Defined_Bond_Stereo_Count	0
7628	Isotope_Atom_Count	0
22323434	Structure_Complexity	551
9861147	Non-hydrogen_Atom_Count	22
185617	Defined_Atom_Stereo_Count	5
80642	Tautomer_Count	1
18335911	XLogP3-AA	0.5
5388962	Mono_Isotopic_Weight	376.19982200
45238	Undefined_Bond_Stereo_Count	0
6433356	Total_Formal_Charge	0
851992	Isotope_Atom_Count	0
10031812	Undefined_Bond_Stereo_Count	0
57131946	Exact_Mass	180.115029749
135403802	Structure_Complexity	645
121493662	Defined_Bond_Stereo_Count	1
25008767	Hydrogen_Bond_Donor_Count	3
6102790	Hydrogen_Bond_Acceptor_Count	6
289460	Hydrogen_Bond_Donor_Count	2
6761	Undefined_Atom_Stereo_Count	0
70443535	Structure_Complexity	151
119259	Undefined_Bond_Stereo_Count	0
62725	Molecular_Weight	141.24
6837	Isotope_Atom_Count	0
9465	Exact_Mass	183.06955672
440728	Undefined_Bond_Stereo_Count	0
135860757	Hydrogen_Bond_Acceptor_Count	5
40933	Non-hydrogen_Atom_Count	27
142906448	Undefined_Bond_Stereo_Count	0
4205687	Rotatable_Bond_Count	1
14804	Covalent_Unit_Count	3
14872976	Mono_Isotopic_Weight	112.074896272
11237963	Exact_Mass	535.38862582
192826	Isotope_Atom_Count	0
68168755	Structure_Complexity	134
133121364	Undefined_Atom_Stereo_Count	3
3760	Total_Formal_Charge	0
162918376	XLogP3-AA	7.5
4361	Exact_Mass	327.256214676
580328	Covalent_Unit_Count	1
11063784	Isotope_Atom_Count	0
19873782	Hydrogen_Bond_Acceptor_Count	4
13134	Total_Formal_Charge	0
285366	Undefined_Bond_Stereo_Count	0
80278	Molecular_Weight	248.25
34127	Mono_Isotopic_Weight	513.99936503
135779804	Mono_Isotopic_Weight	249.0087234
59503407	Hydrogen_Bond_Donor_Count	5
6917972	Mono_Isotopic_Weight	247.963896
1312	Exact_Mass	451.02941569
50360	Hydrogen_Bond_Donor_Count	0
6536825	Non-hydrogen_Atom_Count	13
53387504	Defined_Atom_Stereo_Count	2
52949394	Undefined_Bond_Stereo_Count	0
66577116	Hydrogen_Bond_Donor_Count	12
85658	Molecular_Weight	336.5
85540	Structure_Complexity	499
53914181	Exact_Mass	94.041864811
43006	TPSA	89.7
905454	Molecular_Weight	247.33
122197	Mono_Isotopic_Weight	431.07575
55089	Non-hydrogen_Atom_Count	21
57396041	Undefined_Atom_Stereo_Count	0
93480	TPSA	9.2
117	Hydrogen_Bond_Donor_Count	3
45485695	Mono_Isotopic_Weight	583.2901736
45026	Mono_Isotopic_Weight	293.16270821
70480850	Non-hydrogen_Atom_Count	8
69188	Covalent_Unit_Count	1
23180086	Rotatable_Bond_Count	4
129860447	Defined_Bond_Stereo_Count	0
2793	Exact_Mass	480.2655895
439583	TPSA	110
25457	Hydrogen_Bond_Acceptor_Count	3
2319	Molecular_Weight	335.28
16600	Undefined_Bond_Stereo_Count	0
15732693	Undefined_Atom_Stereo_Count	1
711468	Isotope_Atom_Count	0
54255838	Total_Formal_Charge	0
10335364	Undefined_Atom_Stereo_Count	0
5283313	Mono_Isotopic_Weight	116.083729621
135431094	Structure_Complexity	2510
23663992	Defined_Bond_Stereo_Count	1
12642	Undefined_Atom_Stereo_Count	1
84179	Mono_Isotopic_Weight	163.099714038
5068775	Hydrogen_Bond_Acceptor_Count	2
11571	Rotatable_Bond_Count	0
94973	Hydrogen_Bond_Acceptor_Count	2
54178371	Rotatable_Bond_Count	1
5077	Non-hydrogen_Atom_Count	18
18520896	Molecular_Weight	124.10
6438372	Defined_Atom_Stereo_Count	1
16132350	Isotope_Atom_Count	0
185498	Total_Formal_Charge	2
11379626	Mono_Isotopic_Weight	247.099714038
46231499	Structure_Complexity	660
23630065	Defined_Atom_Stereo_Count	0
23679441	Tautomer_Count	28
439647	Total_Formal_Charge	0
17963199	Defined_Atom_Stereo_Count	0
662452	Exact_Mass	448.21442669
137347967	Covalent_Unit_Count	1
362828	Mono_Isotopic_Weight	297.11134135
129090013	Total_Formal_Charge	0
24867472	Defined_Atom_Stereo_Count	4
73921	Undefined_Atom_Stereo_Count	0
7150	Hydrogen_Bond_Acceptor_Count	2
11320921	Isotope_Atom_Count	0
3798	Covalent_Unit_Count	1
30921	Undefined_Atom_Stereo_Count	1
13867124	Isotope_Atom_Count	0
15820984	Covalent_Unit_Count	3
65093	Exact_Mass	220.01289061
14067296	Exact_Mass	94.041864811
18710462	Total_Formal_Charge	0
16050931	Non-hydrogen_Atom_Count	20
7201	Undefined_Atom_Stereo_Count	0
19829701	Structure_Complexity	107
14663555	Defined_Atom_Stereo_Count	0
2453	Mono_Isotopic_Weight	300.87379
67520	Isotope_Atom_Count	0
7916	Isotope_Atom_Count	0
21466713	Total_Formal_Charge	0
23683747	Molecular_Weight	201.24
12251	Tautomer_Count	1
29761	Molecular_Weight	329.4
5352133	Undefined_Bond_Stereo_Count	0
16945	Hydrogen_Bond_Acceptor_Count	0
71678916	Structure_Complexity	688
2214	Hydrogen_Bond_Donor_Count	1
153791162	Defined_Atom_Stereo_Count	0
11937	Total_Formal_Charge	0
129316724	XLogP3	2.9
11723971	Undefined_Atom_Stereo_Count	0
3034047	Tautomer_Count	1
145815	Defined_Bond_Stereo_Count	0
37366	TPSA	66.4
10592	TPSA	94.8
10572530	Rotatable_Bond_Count	4
4472	Covalent_Unit_Count	1
23385063	Non-hydrogen_Atom_Count	8
11007867	Rotatable_Bond_Count	0
81226	Defined_Atom_Stereo_Count	0
12632903	Structure_Complexity	67.3
269842	Structure_Complexity	362
12775	Molecular_Weight	136.19
50993725	Exact_Mass	377.1279474
157690	TPSA	143
54758307	TPSA	92.1
29359	Total_Formal_Charge	0
70255	Total_Formal_Charge	0
1603	TPSA	279
6420019	Hydrogen_Bond_Acceptor_Count	2
160024	Defined_Atom_Stereo_Count	2
14180	Covalent_Unit_Count	1
668263	Undefined_Bond_Stereo_Count	0
5287540	Undefined_Bond_Stereo_Count	0
54574891	Mono_Isotopic_Weight	99.104799419
118052411	Defined_Bond_Stereo_Count	0
68789	Undefined_Atom_Stereo_Count	1
1130	Isotope_Atom_Count	0
705645	Total_Formal_Charge	0
24458	Mono_Isotopic_Weight	125.872641
18213	Rotatable_Bond_Count	2
2130	Molecular_Weight	151.25
6433266	Structure_Complexity	343
20903	Total_Formal_Charge	0
578771	Defined_Atom_Stereo_Count	0
172309	Hydrogen_Bond_Donor_Count	0
529	TPSA	104
12481	Hydrogen_Bond_Donor_Count	1
129722292	Undefined_Atom_Stereo_Count	1
132192027	Covalent_Unit_Count	1
6509724	Exact_Mass	534.2132792
83966	Molecular_Weight	331.32
8783	Undefined_Bond_Stereo_Count	0
6438863	Exact_Mass	1316.1505
439196	TPSA	42.5
16760569	Rotatable_Bond_Count	11
86821	Undefined_Atom_Stereo_Count	9
74904	Defined_Bond_Stereo_Count	0
12349471	Undefined_Bond_Stereo_Count	0
23080901	Rotatable_Bond_Count	2
90488850	Non-hydrogen_Atom_Count	36
10384745	XLogP3-AA	1
163838	Exact_Mass	713.2632801
123467456	Rotatable_Bond_Count	1
21954776	TPSA	55.4
64715	TPSA	72.8
12395962	Undefined_Atom_Stereo_Count	0
5815	Isotope_Atom_Count	0
16141649	Non-hydrogen_Atom_Count	125
13593925	Isotope_Atom_Count	0
72805	Exact_Mass	262.18925731
131872	Hydrogen_Bond_Donor_Count	1
10257882	Molecular_Weight	592.8
5225092	Rotatable_Bond_Count	7
6675	TPSA	153
21817601	Isotope_Atom_Count	0
71427280	Mono_Isotopic_Weight	112.063662883
9889867	Isotope_Atom_Count	0
69803	Rotatable_Bond_Count	4
101988841	Hydrogen_Bond_Acceptor_Count	0
935707	Covalent_Unit_Count	1
70912	Exact_Mass	173.10519334
45278337	Mono_Isotopic_Weight	421.28983728
306917	Total_Formal_Charge	0
627254	Rotatable_Bond_Count	8
50701	Undefined_Bond_Stereo_Count	0
19352068	Total_Formal_Charge	0
98043899	Undefined_Bond_Stereo_Count	0
58221868	Hydrogen_Bond_Donor_Count	1
9912474	Undefined_Bond_Stereo_Count	0
18384	TPSA	46.5
70689444	Rotatable_Bond_Count	2
72494242	Covalent_Unit_Count	1
4346	Defined_Bond_Stereo_Count	0
12561666	Covalent_Unit_Count	1
6185	Rotatable_Bond_Count	2
24802	TPSA	138
6972	Total_Formal_Charge	0
57829	XLogP3-AA	3.1
58979809	Defined_Bond_Stereo_Count	0
10434	Undefined_Bond_Stereo_Count	0
6435801	TPSA	110
12452021	XLogP3-AA	1.2
44352909	Undefined_Bond_Stereo_Count	0
9845837	XLogP3-AA	2.7
21791633	Structure_Complexity	129
11917	Isotope_Atom_Count	0
146367450	Molecular_Weight	284.35
21709689	Molecular_Weight	304.12
38298	Exact_Mass	278.141913202
54753	Defined_Bond_Stereo_Count	0
6918653	XLogP3-AA	2.4
67246787	Hydrogen_Bond_Donor_Count	1
10105	Defined_Atom_Stereo_Count	0
15412227	Molecular_Weight	95.14
53476	Hydrogen_Bond_Acceptor_Count	4
71452498	Molecular_Weight	535.5
19013328	Molecular_Weight	110.11
150899	Exact_Mass	240.187800766
92764	Exact_Mass	254.109550447
21527	Non-hydrogen_Atom_Count	11
86439	Exact_Mass	433.0539994
31343	Undefined_Atom_Stereo_Count	1
3356829	Total_Formal_Charge	0
911	Hydrogen_Bond_Acceptor_Count	4
2435	Tautomer_Count	4
5311068	Mono_Isotopic_Weight	200.131348519
16551	Structure_Complexity	31.5
9830667	Undefined_Bond_Stereo_Count	0
122767	Structure_Complexity	354
88318	Total_Formal_Charge	0
86289378	Structure_Complexity	4390
57874	Tautomer_Count	2
21271257	Defined_Atom_Stereo_Count	0
45255110	Structure_Complexity	652
14049689	Tautomer_Count	1
6585	Mono_Isotopic_Weight	76.016043985
81309	Tautomer_Count	1
96312	Mono_Isotopic_Weight	297.10731860
76658	Isotope_Atom_Count	0
15430	Covalent_Unit_Count	1
81627	Structure_Complexity	185
9829523	Defined_Atom_Stereo_Count	4
73921	Molecular_Weight	207.23
5721	Non-hydrogen_Atom_Count	23
56841558	Molecular_Weight	1477.9
46854655	TPSA	46.5
3083540	Structure_Complexity	439
440141	Hydrogen_Bond_Acceptor_Count	14
71755913	TPSA	53.2
53321035	Defined_Bond_Stereo_Count	1
95578	Isotope_Atom_Count	0
91895934	Hydrogen_Bond_Donor_Count	5
6002	Defined_Atom_Stereo_Count	0
48104	Undefined_Atom_Stereo_Count	4
66840	Molecular_Weight	244.04
494023	Covalent_Unit_Count	1
3746	Total_Formal_Charge	1
193270	Defined_Atom_Stereo_Count	1
11977753	Defined_Atom_Stereo_Count	0
20581047	Undefined_Atom_Stereo_Count	2
43366	Hydrogen_Bond_Acceptor_Count	2
44183569	TPSA	168
4340561	Rotatable_Bond_Count	2
884462	Total_Formal_Charge	0
66855878	Undefined_Atom_Stereo_Count	1
91315907	Structure_Complexity	82.2
4712	Non-hydrogen_Atom_Count	27
615549	Defined_Atom_Stereo_Count	0
5246202	Rotatable_Bond_Count	7
118374185	TPSA	15.3
21405	Defined_Bond_Stereo_Count	0
8099	Exact_Mass	240.05936535
89402065	Isotope_Atom_Count	0
3035842	Non-hydrogen_Atom_Count	12
573744	Total_Formal_Charge	0
52942478	Covalent_Unit_Count	1
25352	TPSA	91.6
10920474	Hydrogen_Bond_Donor_Count	1
5771	TPSA	450
10753	Hydrogen_Bond_Acceptor_Count	6
599131	Defined_Atom_Stereo_Count	0
129627254	Undefined_Bond_Stereo_Count	0
34154	Non-hydrogen_Atom_Count	17
249266	XLogP3	4.5
1793	Total_Formal_Charge	0
84552	XLogP3-AA	0.8
16667736	Defined_Bond_Stereo_Count	2
618	TPSA	168
26721	Hydrogen_Bond_Acceptor_Count	5
54129211	Rotatable_Bond_Count	1
681	Molecular_Weight	153.18
146159249	Mono_Isotopic_Weight	373.22530847
5474229	Undefined_Atom_Stereo_Count	19
48207	Defined_Atom_Stereo_Count	0
317678	Non-hydrogen_Atom_Count	7
5310969	Undefined_Bond_Stereo_Count	0
14416477	XLogP3-AA	2.1
10784	Undefined_Bond_Stereo_Count	0
31877	Isotope_Atom_Count	0
11007859	Exact_Mass	114.042927438
136430	TPSA	24.1
52945793	Rotatable_Bond_Count	6
6537213	Structure_Complexity	548
473148	Structure_Complexity	226
42040	Total_Formal_Charge	0
89311461	Mono_Isotopic_Weight	114.079312947
824	Defined_Atom_Stereo_Count	0
90272	Molecular_Weight	262.69
79244	TPSA	37.4
141343693	Molecular_Weight	113.16
16070030	Undefined_Bond_Stereo_Count	0
7540	Molecular_Weight	310.3
11497983	Mono_Isotopic_Weight	587.20574689
696858	Total_Formal_Charge	0
154734173	Covalent_Unit_Count	1
23714647	Total_Formal_Charge	0
40855	Defined_Bond_Stereo_Count	0
172309	XLogP3-AA	3
64992731	TPSA	52.9
9425	Isotope_Atom_Count	0
10058	Non-hydrogen_Atom_Count	41
81767	Undefined_Bond_Stereo_Count	0
8017	Non-hydrogen_Atom_Count	5
132980806	Exact_Mass	1354.567399
10267191	Molecular_Weight	307.13
53853926	TPSA	42.2
3162	Total_Formal_Charge	0
533432	Rotatable_Bond_Count	0
9795434	Molecular_Weight	270.35
22459	Non-hydrogen_Atom_Count	6
92450317	Defined_Bond_Stereo_Count	2
8365	Defined_Atom_Stereo_Count	0
73282	TPSA	141
6412	Structure_Complexity	104
2010	Isotope_Atom_Count	0
3549191	Covalent_Unit_Count	1
77018	Defined_Bond_Stereo_Count	0
151092	Rotatable_Bond_Count	9
129674572	Hydrogen_Bond_Donor_Count	0
14325611	Mono_Isotopic_Weight	105.078978594
95902	Undefined_Atom_Stereo_Count	0
1082	Exact_Mass	337.09437113
10069991	Mono_Isotopic_Weight	407.0746777
12579106	Structure_Complexity	77.4
126843213	Undefined_Bond_Stereo_Count	0
14740383	Structure_Complexity	78.2
5488631	Hydrogen_Bond_Acceptor_Count	2
5284518	Covalent_Unit_Count	1
9964188	Undefined_Atom_Stereo_Count	2
363	Non-hydrogen_Atom_Count	4
14206225	Mono_Isotopic_Weight	100.052429494
135413554	Mono_Isotopic_Weight	266.0570533
2531445	Covalent_Unit_Count	1
136875	XLogP3-AA	0.7
11690378	Structure_Complexity	624
2734231	Rotatable_Bond_Count	15
508	Defined_Atom_Stereo_Count	0
10475633	Non-hydrogen_Atom_Count	28
754219	Mono_Isotopic_Weight	304.19509159
9903853	TPSA	67
19789137	Mono_Isotopic_Weight	144.115029749
6278	Mono_Isotopic_Weight	131.930033
6919003	Defined_Atom_Stereo_Count	0
60150330	Hydrogen_Bond_Acceptor_Count	2
83346	Non-hydrogen_Atom_Count	8
1246044	Structure_Complexity	365
13315542	Hydrogen_Bond_Donor_Count	0
53436961	Structure_Complexity	103
60196410	Exact_Mass	588.2463106
1548887	Isotope_Atom_Count	0
118972006	Rotatable_Bond_Count	1
9548611	Isotope_Atom_Count	0
283654	Isotope_Atom_Count	0
15273943	Covalent_Unit_Count	1
9949812	Total_Formal_Charge	0
95228	Structure_Complexity	225
12015095	Isotope_Atom_Count	0
25298	Molecular_Weight	104.15
21643653	Defined_Bond_Stereo_Count	0
54023308	Non-hydrogen_Atom_Count	7
6917860	Exact_Mass	554.05420021
23666342	Tautomer_Count	1
76223940	TPSA	21.9
122360911	Hydrogen_Bond_Acceptor_Count	6
81971	Mono_Isotopic_Weight	458.00663923
692791	Structure_Complexity	395
129860447	Exact_Mass	87.068413911
6670	Mono_Isotopic_Weight	223.03031432
135410702	Hydrogen_Bond_Acceptor_Count	10
23079882	Hydrogen_Bond_Acceptor_Count	6
129787717	Undefined_Atom_Stereo_Count	0
270624	Exact_Mass	100.052429494
59709	Covalent_Unit_Count	5
41268	Hydrogen_Bond_Donor_Count	1
825353	TPSA	129
23622607	Undefined_Atom_Stereo_Count	0
47670	Isotope_Atom_Count	0
20711973	Hydrogen_Bond_Acceptor_Count	0
56672298	Mono_Isotopic_Weight	405.12594604
129225	Mono_Isotopic_Weight	179.131014166
84393	Mono_Isotopic_Weight	205.9723768
11281445	Hydrogen_Bond_Donor_Count	4
644241	Undefined_Atom_Stereo_Count	0
624748	Rotatable_Bond_Count	0
11060	Rotatable_Bond_Count	9
24682	Rotatable_Bond_Count	0
146019527	Exact_Mass	691.061419
42601552	Isotope_Atom_Count	0
12648109	TPSA	20.2
87299033	Hydrogen_Bond_Donor_Count	3
10313077	Non-hydrogen_Atom_Count	7
101526739	Exact_Mass	940.42049858
5072	Defined_Atom_Stereo_Count	0
126280	Isotope_Atom_Count	0
79824	Structure_Complexity	125
8883	Undefined_Bond_Stereo_Count	0
160617	Hydrogen_Bond_Donor_Count	6
140511	Structure_Complexity	59.4
89143843	Covalent_Unit_Count	1
911	Exact_Mass	177.04596439
82322	Undefined_Atom_Stereo_Count	0
6915732	Hydrogen_Bond_Donor_Count	5
15842094	XLogP3-AA	8
9812772	Rotatable_Bond_Count	2
91575456	Total_Formal_Charge	0
74888	Covalent_Unit_Count	1
439867	Molecular_Weight	342.30
4538	Total_Formal_Charge	0
866077	Defined_Atom_Stereo_Count	0
9848818	TPSA	132
163501159	Covalent_Unit_Count	1
10239769	Rotatable_Bond_Count	14
37933	Structure_Complexity	414
48040	Mono_Isotopic_Weight	388.1917559
21580808	Structure_Complexity	330
10943	Molecular_Weight	147.00
8107	Non-hydrogen_Atom_Count	7
162904206	Total_Formal_Charge	0
12574	Non-hydrogen_Atom_Count	10
20429663	Undefined_Bond_Stereo_Count	0
54340209	Rotatable_Bond_Count	1
6956324	Hydrogen_Bond_Acceptor_Count	3
16135625	Exact_Mass	1410.67744153
15981895	Isotope_Atom_Count	0
439739	Non-hydrogen_Atom_Count	25
6442439	Molecular_Weight	166.22
27582	XLogP3	3.5
11717001	Molecular_Weight	334.4
135413554	Covalent_Unit_Count	1
5289534	TPSA	146
3058737	XLogP3	1.8
4497	Hydrogen_Bond_Acceptor_Count	8
100308	Defined_Atom_Stereo_Count	2
3956708	Mono_Isotopic_Weight	213.03338833
71317096	Molecular_Weight	182.17
6437063	Undefined_Atom_Stereo_Count	0
40703	Mono_Isotopic_Weight	589.14023
22836	Mono_Isotopic_Weight	368.2019266
6917941	Covalent_Unit_Count	3
14640738	Rotatable_Bond_Count	0
3712	Non-hydrogen_Atom_Count	11
17956339	Hydrogen_Bond_Acceptor_Count	8
22596604	Defined_Bond_Stereo_Count	0
75421	Total_Formal_Charge	0
5270576	Structure_Complexity	413
137224318	Exact_Mass	500.18484064
6662	Undefined_Bond_Stereo_Count	0
64560	Hydrogen_Bond_Donor_Count	0
122316	Total_Formal_Charge	0
23672325	Defined_Atom_Stereo_Count	0
2060890	Exact_Mass	342.0771200
4908365	Undefined_Bond_Stereo_Count	0
154013151	Molecular_Weight	116.11
83818	Mono_Isotopic_Weight	417.1584211
5288600	Molecular_Weight	311.3
23680518	Defined_Atom_Stereo_Count	7
4255	Undefined_Bond_Stereo_Count	0
14528849	XLogP3-AA	1
5281605	Rotatable_Bond_Count	1
67075257	Defined_Atom_Stereo_Count	0
132282752	Defined_Bond_Stereo_Count	0
259329	Total_Formal_Charge	0
12515628	Undefined_Bond_Stereo_Count	0
23674098	Undefined_Bond_Stereo_Count	0
9841834	XLogP3-AA	1.5
53977	Molecular_Weight	1162.8
5359596	Rotatable_Bond_Count	0
20767630	Total_Formal_Charge	0
54569113	Isotope_Atom_Count	0
136582	Tautomer_Count	1
16219160	Undefined_Bond_Stereo_Count	0
69392	Mono_Isotopic_Weight	72.057514874
85728	Hydrogen_Bond_Donor_Count	1
19727	Isotope_Atom_Count	0
5464111	TPSA	139
123976	XLogP3-AA	7.1
57406717	Non-hydrogen_Atom_Count	33
5311071	Undefined_Atom_Stereo_Count	0
86912	Structure_Complexity	256
439168	Exact_Mass	169.99802494
448011	Undefined_Bond_Stereo_Count	0
12576	Mono_Isotopic_Weight	166.03784206
11451	Molecular_Weight	174.18
44423248	Undefined_Bond_Stereo_Count	0
15691707	Non-hydrogen_Atom_Count	7
7646	Undefined_Bond_Stereo_Count	0
13584550	TPSA	17.1
68783	Exact_Mass	328.20384475
46897877	Isotope_Atom_Count	0
292661	Hydrogen_Bond_Donor_Count	3
68315	Defined_Atom_Stereo_Count	0
10207	Tautomer_Count	24
5497174	Isotope_Atom_Count	0
53323075	XLogP3-AA	2.6
71311204	Molecular_Weight	376.95
118897473	XLogP3-AA	6.9
13483371	Undefined_Atom_Stereo_Count	0
47419	Defined_Atom_Stereo_Count	2
10996972	Isotope_Atom_Count	0
135992859	XLogP3-AA	2
12231381	Undefined_Bond_Stereo_Count	0
23158703	Isotope_Atom_Count	0
2756	Hydrogen_Bond_Acceptor_Count	4
44563067	TPSA	105
70691388	Mono_Isotopic_Weight	3946.9206749
54583932	TPSA	54.3
91528	Hydrogen_Bond_Acceptor_Count	4
11711595	Isotope_Atom_Count	0
97869	Defined_Bond_Stereo_Count	0
5459124	Hydrogen_Bond_Donor_Count	1
10442251	Non-hydrogen_Atom_Count	13
6927356	XLogP3	2.6
13353092	Defined_Atom_Stereo_Count	0
57396213	Hydrogen_Bond_Donor_Count	2
22239085	Exact_Mass	372.16944839
21802862	Undefined_Atom_Stereo_Count	0
76487	TPSA	70.1
5460765	Hydrogen_Bond_Donor_Count	3
58969552	Covalent_Unit_Count	1
20782671	TPSA	9.2
183809	Rotatable_Bond_Count	4
95064	Molecular_Weight	211.34
71311382	Structure_Complexity	443
6433154	TPSA	43.4
547738	Undefined_Atom_Stereo_Count	1
68464	XLogP3-AA	3.5
93550	Non-hydrogen_Atom_Count	16
38350	Hydrogen_Bond_Acceptor_Count	5
413504	Defined_Bond_Stereo_Count	0
5315244	Hydrogen_Bond_Acceptor_Count	12
46877881	Defined_Bond_Stereo_Count	0
23690449	Total_Formal_Charge	0
122903	Defined_Bond_Stereo_Count	0
71248	Defined_Atom_Stereo_Count	0
70838	Covalent_Unit_Count	1
54392998	Isotope_Atom_Count	0
10801933	Undefined_Bond_Stereo_Count	0
10073773	Rotatable_Bond_Count	5
52944411	Exact_Mass	387.11946125
23649427	Isotope_Atom_Count	0
12511	Undefined_Bond_Stereo_Count	0
6442439	Undefined_Atom_Stereo_Count	0
120508	Rotatable_Bond_Count	7
138621	Total_Formal_Charge	0
10219763	Covalent_Unit_Count	1
71312306	Defined_Bond_Stereo_Count	0
65774	Hydrogen_Bond_Acceptor_Count	5
119057560	Rotatable_Bond_Count	7
44838	Defined_Atom_Stereo_Count	0
10909430	Defined_Bond_Stereo_Count	0
33630	Hydrogen_Bond_Acceptor_Count	7
10026	Defined_Atom_Stereo_Count	0
24756910	Covalent_Unit_Count	1
9862	Hydrogen_Bond_Acceptor_Count	1
9952	Exact_Mass	309.21040730
5311057	Undefined_Atom_Stereo_Count	0
148039025	Hydrogen_Bond_Acceptor_Count	1
59434	TPSA	46.5
24864718	Exact_Mass	487.1065616
107949	Total_Formal_Charge	0
5329098	Hydrogen_Bond_Donor_Count	2
3674	Molecular_Weight	311.3
44570343	Total_Formal_Charge	0
32593	Hydrogen_Bond_Donor_Count	0
11971580	Undefined_Atom_Stereo_Count	3
36272	Mono_Isotopic_Weight	439.21409234
50990393	Exact_Mass	923.48784986
75530316	Defined_Bond_Stereo_Count	0
20498	Undefined_Bond_Stereo_Count	0
59296041	Rotatable_Bond_Count	8
7619	Undefined_Bond_Stereo_Count	0
8386	Undefined_Atom_Stereo_Count	0
3878721	TPSA	176
4113127	Exact_Mass	104.094963011
9064	Rotatable_Bond_Count	1
73415809	Exact_Mass	380.13818736
1346	TPSA	24.5
67409219	XLogP3-AA	4.1
22934413	Non-hydrogen_Atom_Count	8
15664	Exact_Mass	184.100048391
6999971	Mono_Isotopic_Weight	114.02924926
57609	Tautomer_Count	16
15953353	Structure_Complexity	615
10041	Hydrogen_Bond_Acceptor_Count	0
3351	Mono_Isotopic_Weight	388.1189848
6918584	TPSA	995
19100334	Defined_Atom_Stereo_Count	0
11398092	Non-hydrogen_Atom_Count	35
129845	Defined_Bond_Stereo_Count	0
25164000	Defined_Bond_Stereo_Count	0
46231497	Exact_Mass	386.18550935
11954359	Defined_Bond_Stereo_Count	0
60196372	Undefined_Bond_Stereo_Count	0
139030973	Isotope_Atom_Count	0
11239	XLogP3-AA	2.2
91769	Hydrogen_Bond_Acceptor_Count	5
23724556	Undefined_Atom_Stereo_Count	7
11717831	Hydrogen_Bond_Donor_Count	2
77353	Undefined_Atom_Stereo_Count	0
14842942	Mono_Isotopic_Weight	202.99458
72200931	Exact_Mass	459.26813928
78031	Hydrogen_Bond_Donor_Count	1
644007	Undefined_Bond_Stereo_Count	0
71713950	Covalent_Unit_Count	1
131254	Rotatable_Bond_Count	11
55804	Molecular_Weight	217.69
89707354	Isotope_Atom_Count	0
16130278	Non-hydrogen_Atom_Count	114
15942890	Structure_Complexity	721
2816577	Undefined_Atom_Stereo_Count	0
57782	Undefined_Bond_Stereo_Count	0
23468439	Hydrogen_Bond_Donor_Count	0
19589	Total_Formal_Charge	0
9601896	Defined_Atom_Stereo_Count	0
71884	XLogP3	2.8
134688323	Total_Formal_Charge	0
689750	XLogP3-AA	2.1
671755	Hydrogen_Bond_Donor_Count	1
15657508	Non-hydrogen_Atom_Count	7
60192	Hydrogen_Bond_Acceptor_Count	4
535795	Isotope_Atom_Count	0
11954	Mono_Isotopic_Weight	135.068413911
59827440	Structure_Complexity	403
595999	Undefined_Atom_Stereo_Count	2
60196378	Covalent_Unit_Count	2
54078821	Molecular_Weight	212.24
369219	TPSA	20.3
6431226	Defined_Atom_Stereo_Count	2
9403	Non-hydrogen_Atom_Count	29
139113917	Exact_Mass	576.15109601
94228	Hydrogen_Bond_Donor_Count	2
445715	Undefined_Bond_Stereo_Count	0
5656	Molecular_Weight	277.4
3081078	Covalent_Unit_Count	1
263	Molecular_Weight	74.12
6327846	Covalent_Unit_Count	2
49985	Molecular_Weight	211.17
5494414	Isotope_Atom_Count	0
6323236	TPSA	161
122372096	Undefined_Bond_Stereo_Count	0
7793	Isotope_Atom_Count	0
3034394	Rotatable_Bond_Count	4
2633	TPSA	304
457126	XLogP3-AA	0.9
3068840	Non-hydrogen_Atom_Count	27
85307823	Mono_Isotopic_Weight	115.063328530
160243	Structure_Complexity	390
8823	Isotope_Atom_Count	0
6915	Mono_Isotopic_Weight	116.083729621
9847219	XLogP3-AA	4.8
39018	Defined_Atom_Stereo_Count	0
16732454	Hydrogen_Bond_Donor_Count	2
5463081	Rotatable_Bond_Count	0
69393	Molecular_Weight	70.09
317053	Hydrogen_Bond_Acceptor_Count	2
641001	Defined_Atom_Stereo_Count	0
88707373	Total_Formal_Charge	0
9874875	Hydrogen_Bond_Acceptor_Count	4
94972	Rotatable_Bond_Count	3
118701016	Structure_Complexity	3150
102004571	Structure_Complexity	914
96289	Structure_Complexity	133
24186254	Undefined_Atom_Stereo_Count	0
13424661	Covalent_Unit_Count	1
3239235	Structure_Complexity	414
11545958	XLogP3-AA	3.1
44358318	Mono_Isotopic_Weight	450.15421043
6273	Hydrogen_Bond_Donor_Count	0
6427079	Undefined_Bond_Stereo_Count	0
726050	Exact_Mass	271.10308534
683253	Non-hydrogen_Atom_Count	19
96327588	Exact_Mass	527.23263824
67210	Undefined_Atom_Stereo_Count	0
137331882	Covalent_Unit_Count	2
57768583	Isotope_Atom_Count	0
8961	Hydrogen_Bond_Donor_Count	1
147707442	TPSA	190
124510	Non-hydrogen_Atom_Count	7
15442507	XLogP3-AA	0.7
91365800	Covalent_Unit_Count	1
72149	Molecular_Weight	382.5
15090448	Mono_Isotopic_Weight	114.068079557
91670	Undefined_Bond_Stereo_Count	0
525065	XLogP3-AA	3.1
54602908	Mono_Isotopic_Weight	426.139632
122672143	Molecular_Weight	112.17
294864	Exact_Mass	104.047344113
134338399	Molecular_Weight	108.10
6450	TPSA	92.2
91116427	Non-hydrogen_Atom_Count	7
808	Covalent_Unit_Count	1
53317131	TPSA	78.3
35384	Defined_Atom_Stereo_Count	0
12207122	Undefined_Bond_Stereo_Count	0
115208	TPSA	72.9
10568	Non-hydrogen_Atom_Count	6
11234351	Molecular_Weight	380.4
15077409	Defined_Bond_Stereo_Count	0
573598	Total_Formal_Charge	0
131411054	Hydrogen_Bond_Acceptor_Count	1
9571080	Defined_Bond_Stereo_Count	1
573612	Undefined_Atom_Stereo_Count	0
16978	Hydrogen_Bond_Donor_Count	1
130354549	Defined_Bond_Stereo_Count	0
24648	Defined_Atom_Stereo_Count	0
21676144	Hydrogen_Bond_Donor_Count	1
18487	Hydrogen_Bond_Acceptor_Count	1
14205677	Undefined_Atom_Stereo_Count	0
6788	Covalent_Unit_Count	1
50923	Isotope_Atom_Count	0
1708	XLogP3-AA	1.6
5459958	Structure_Complexity	136
45488116	Covalent_Unit_Count	1
393037	Defined_Bond_Stereo_Count	0
124426476	Defined_Atom_Stereo_Count	8
11957515	Structure_Complexity	380
139356	Defined_Atom_Stereo_Count	0
63119	Total_Formal_Charge	0
138860	XLogP3-AA	1.6
21426352	Undefined_Atom_Stereo_Count	1
66602	Covalent_Unit_Count	1
5280878	Structure_Complexity	706
77286	Covalent_Unit_Count	1
13224	Structure_Complexity	160
4284	Hydrogen_Bond_Donor_Count	0
138107644	Total_Formal_Charge	0
101603227	Non-hydrogen_Atom_Count	52
12394645	Hydrogen_Bond_Acceptor_Count	1
8911	Total_Formal_Charge	0
66073187	Hydrogen_Bond_Acceptor_Count	2
71389631	Molecular_Weight	108.14
25100590	Undefined_Bond_Stereo_Count	0
74760	Hydrogen_Bond_Acceptor_Count	2
129721137	Covalent_Unit_Count	1
7848	Hydrogen_Bond_Donor_Count	1
5462350	Defined_Atom_Stereo_Count	4
23678874	Tautomer_Count	1
3715	Defined_Bond_Stereo_Count	0
12984	Hydrogen_Bond_Acceptor_Count	0
5282387	Undefined_Bond_Stereo_Count	0
128820	Defined_Atom_Stereo_Count	0
57393918	Exact_Mass	389.9996542
15666	Hydrogen_Bond_Acceptor_Count	2
16106	XLogP3-AA	2.8
80710	Mono_Isotopic_Weight	585.02524542
56991328	Defined_Atom_Stereo_Count	0
22706689	Hydrogen_Bond_Acceptor_Count	0
2826731	Mono_Isotopic_Weight	255.0784668
76013	Defined_Bond_Stereo_Count	0
1150897	Defined_Bond_Stereo_Count	0
2781	Rotatable_Bond_Count	6
456204	XLogP3-AA	1.9
154685136	Defined_Atom_Stereo_Count	0
86063	Undefined_Atom_Stereo_Count	1
436520	XLogP3-AA	8.7
36188	Exact_Mass	325.880439
40855	Isotope_Atom_Count	0
96865	TPSA	29.1
11502243	Structure_Complexity	552
71346048	Hydrogen_Bond_Donor_Count	0
87357201	Covalent_Unit_Count	2
135476784	Rotatable_Bond_Count	2
5280497	Defined_Atom_Stereo_Count	5
208922	Isotope_Atom_Count	0
4019563	Molecular_Weight	420.4
21872002	Rotatable_Bond_Count	3
71112644	Covalent_Unit_Count	1
13355	Rotatable_Bond_Count	1
3016570	Isotope_Atom_Count	0
932	Molecular_Weight	272.25
21749233	Non-hydrogen_Atom_Count	8
10953434	Structure_Complexity	76.1
67472	Defined_Atom_Stereo_Count	0
319954	Defined_Atom_Stereo_Count	0
72424	Mono_Isotopic_Weight	830.22828114
118388035	TPSA	104
23080859	Hydrogen_Bond_Donor_Count	1
126011	Mono_Isotopic_Weight	390.16785316
57514685	Undefined_Bond_Stereo_Count	0
137699165	XLogP3-AA	4.3
11518241	Undefined_Atom_Stereo_Count	0
21618092	Exact_Mass	111.104799419
11083834	Defined_Bond_Stereo_Count	0
52943718	Mono_Isotopic_Weight	404.0873882
9577986	Mono_Isotopic_Weight	420.20088463
46934729	Exact_Mass	264.10111102
11789186	Exact_Mass	118.062994177
12559	Exact_Mass	1017.73277158
10866300	Covalent_Unit_Count	1
75059709	Isotope_Atom_Count	0
138506	Structure_Complexity	266
21326740	Undefined_Atom_Stereo_Count	0
19707	Defined_Atom_Stereo_Count	0
5364971	Covalent_Unit_Count	1
205	Defined_Atom_Stereo_Count	0
8923	Non-hydrogen_Atom_Count	14
13437467	Structure_Complexity	72.1
75502	XLogP3	7.5
17360	Isotope_Atom_Count	0
11126189	Exact_Mass	100.052429494
72860	Defined_Bond_Stereo_Count	0
25203400	Mono_Isotopic_Weight	136.112624451
3033856	Non-hydrogen_Atom_Count	22
375860	Covalent_Unit_Count	1
3173542	Undefined_Bond_Stereo_Count	0
52945646	Rotatable_Bond_Count	5
58714	Mono_Isotopic_Weight	197.116426730
6436138	Mono_Isotopic_Weight	424.0938327
22221739	Defined_Atom_Stereo_Count	0
146159775	Total_Formal_Charge	0
301520	Defined_Bond_Stereo_Count	0
87870897	Undefined_Atom_Stereo_Count	0
11206059	Rotatable_Bond_Count	4
135408770	Tautomer_Count	10
38904	Undefined_Atom_Stereo_Count	0
2741	Defined_Atom_Stereo_Count	0
5103	Covalent_Unit_Count	1
18736159	Structure_Complexity	98.6
20553	Molecular_Weight	85.10
71450114	Undefined_Bond_Stereo_Count	0
534959	Isotope_Atom_Count	0
439286	Tautomer_Count	2
54594622	Total_Formal_Charge	0
94791	Total_Formal_Charge	0
63826	Total_Formal_Charge	0
84647611	Defined_Bond_Stereo_Count	0
16005262	Non-hydrogen_Atom_Count	7
9046	Structure_Complexity	613
54120990	Molecular_Weight	112.09
57515976	Rotatable_Bond_Count	1
11267045	Non-hydrogen_Atom_Count	23
245	Undefined_Atom_Stereo_Count	10
10486806	Undefined_Atom_Stereo_Count	1
6335507	Rotatable_Bond_Count	10
11159354	Structure_Complexity	134
65340	Exact_Mass	189.0556563
4740	Defined_Bond_Stereo_Count	0
13761354	Undefined_Atom_Stereo_Count	1
37906	Hydrogen_Bond_Acceptor_Count	3
118984396	Hydrogen_Bond_Donor_Count	1
90771502	Non-hydrogen_Atom_Count	8
168963	Isotope_Atom_Count	0
21275073	Mono_Isotopic_Weight	80.026214747
9583	Isotope_Atom_Count	0
19044091	Isotope_Atom_Count	0
10470475	Undefined_Atom_Stereo_Count	0
752609	Exact_Mass	320.13722174
165685	Hydrogen_Bond_Acceptor_Count	5
13813928	Total_Formal_Charge	0
123597800	Covalent_Unit_Count	1
21517	Defined_Atom_Stereo_Count	0
6597	Exact_Mass	127.9431847
66036956	XLogP3-AA	0
91807240	Undefined_Atom_Stereo_Count	2
129849349	Undefined_Atom_Stereo_Count	2
71449567	Mono_Isotopic_Weight	375.19804835
12444324	Exact_Mass	136.125200510
1548986	TPSA	56.8
10197657	Total_Formal_Charge	0
138128	XLogP3-AA	0.5
656321	Hydrogen_Bond_Donor_Count	1
39421	Structure_Complexity	569
9980241	Tautomer_Count	6
5281116	Molecular_Weight	338.6
11674455	Defined_Bond_Stereo_Count	0
5742590	Defined_Bond_Stereo_Count	0
9908927	XLogP3-AA	5
10176084	Isotope_Atom_Count	0
12066842	Non-hydrogen_Atom_Count	7
10638446	Undefined_Atom_Stereo_Count	0
23697816	TPSA	88.3
12310	Hydrogen_Bond_Acceptor_Count	0
19674	XLogP3-AA	3.9
27934	Mono_Isotopic_Weight	222.115698455
45375806	Defined_Bond_Stereo_Count	0
10419146	Hydrogen_Bond_Acceptor_Count	1
21962683	TPSA	0
5017	Isotope_Atom_Count	0
19202	Undefined_Atom_Stereo_Count	0
10909515	Molecular_Weight	107.11
123630	Isotope_Atom_Count	0
4211	Covalent_Unit_Count	1
17754081	Structure_Complexity	98
68494	Exact_Mass	286.05897142
7020657	Exact_Mass	198.079312947
13658	TPSA	46.5
6420041	Covalent_Unit_Count	4
20782671	Non-hydrogen_Atom_Count	8
69342090	Non-hydrogen_Atom_Count	8
11850899	Covalent_Unit_Count	1
4045	Isotope_Atom_Count	0
4846	Non-hydrogen_Atom_Count	23
86821	Molecular_Weight	414.7
13165124	Isotope_Atom_Count	0
69317	Mono_Isotopic_Weight	246.05369279
11787114	XLogP3-AA	1.6
57800	Rotatable_Bond_Count	5
54581775	Molecular_Weight	372.3
53696	Tautomer_Count	1
18356755	Defined_Bond_Stereo_Count	0
57077346	Hydrogen_Bond_Donor_Count	0
59757974	Defined_Atom_Stereo_Count	0
68696	XLogP3-AA	3.3
6326719	Structure_Complexity	1940
3877	Hydrogen_Bond_Acceptor_Count	4
56615438	Undefined_Atom_Stereo_Count	0
115811143	Defined_Atom_Stereo_Count	0
688691	Non-hydrogen_Atom_Count	12
17753880	Hydrogen_Bond_Acceptor_Count	4
37542	Hydrogen_Bond_Donor_Count	4
23543714	Mono_Isotopic_Weight	112.027277375
9835852	TPSA	67.6
88153493	Hydrogen_Bond_Donor_Count	2
9022	Undefined_Atom_Stereo_Count	0
29742	Tautomer_Count	13
71905	Hydrogen_Bond_Acceptor_Count	5
127382	TPSA	92.7
3289	XLogP3	3.6
90408860	Hydrogen_Bond_Donor_Count	0
5323976	TPSA	41.9
119081	Covalent_Unit_Count	1
12855	Undefined_Atom_Stereo_Count	0
141681	Tautomer_Count	1
66769579	Rotatable_Bond_Count	0
8272	Undefined_Atom_Stereo_Count	0
2014	Molecular_Weight	288.73
123874	Mono_Isotopic_Weight	215.05587416
5460364	Mono_Isotopic_Weight	115.039519081
2657	TPSA	288
8672	TPSA	64.9
3372845	Covalent_Unit_Count	1
71777654	Structure_Complexity	151
15752282	Mono_Isotopic_Weight	111.068413911
23672329	Isotope_Atom_Count	0
101670359	Undefined_Bond_Stereo_Count	0
68809	Defined_Bond_Stereo_Count	0
12715	Defined_Atom_Stereo_Count	0
3087722	Isotope_Atom_Count	0
98181817	Covalent_Unit_Count	1
30999	Undefined_Bond_Stereo_Count	0
10154017	Non-hydrogen_Atom_Count	7
54677977	Rotatable_Bond_Count	2
44352968	Undefined_Bond_Stereo_Count	0
65535	Covalent_Unit_Count	1
118	TPSA	43.1
67292089	Non-hydrogen_Atom_Count	35
71321	Undefined_Bond_Stereo_Count	0
13034936	Tautomer_Count	1
69507	Molecular_Weight	260.14
21996048	Structure_Complexity	88.4
15570483	Molecular_Weight	94.15
13199930	Hydrogen_Bond_Acceptor_Count	2
11815296	Isotope_Atom_Count	0
32816	Isotope_Atom_Count	0
115817	Mono_Isotopic_Weight	412.0262629
31239	Covalent_Unit_Count	2
25141092	Isotope_Atom_Count	0
13611194	Hydrogen_Bond_Donor_Count	0
11161534	Covalent_Unit_Count	1
3647458	TPSA	41.1
521226	TPSA	0
133637885	Isotope_Atom_Count	0
66540	Exact_Mass	334.21440943
2329	XLogP3-AA	3.3
70280758	Exact_Mass	443.19911098
53661221	Molecular_Weight	99.17
170249	Total_Formal_Charge	0
442021	Non-hydrogen_Atom_Count	29
9966051	Tautomer_Count	4
97414	Mono_Isotopic_Weight	227.07284784
24743471	Non-hydrogen_Atom_Count	28
58376271	Rotatable_Bond_Count	3
56623654	Covalent_Unit_Count	1
5372683	Hydrogen_Bond_Donor_Count	1
122903	Isotope_Atom_Count	0
12524130	Mono_Isotopic_Weight	110.073164938
11953931	Undefined_Atom_Stereo_Count	1
4707	Defined_Atom_Stereo_Count	0
69777	Hydrogen_Bond_Acceptor_Count	6
24181110	Tautomer_Count	2
60822	Isotope_Atom_Count	0
13398	Defined_Atom_Stereo_Count	0
11170938	Mono_Isotopic_Weight	112.074896272
6437801	Hydrogen_Bond_Donor_Count	0
117846020	Isotope_Atom_Count	0
54687420	Undefined_Bond_Stereo_Count	0
164252	Defined_Atom_Stereo_Count	1
11240438	Defined_Atom_Stereo_Count	0
2678	Undefined_Bond_Stereo_Count	0
3034336	Structure_Complexity	101
164106781	TPSA	101
74867	Exact_Mass	220.088815002
14968895	Non-hydrogen_Atom_Count	8
98949	Undefined_Atom_Stereo_Count	3
5281065	Tautomer_Count	1
12434511	Hydrogen_Bond_Acceptor_Count	2
9576811	Tautomer_Count	8
139171227	Covalent_Unit_Count	1
2151	Hydrogen_Bond_Donor_Count	1
22612	XLogP3-AA	1
67214459	Isotope_Atom_Count	0
137843	Hydrogen_Bond_Acceptor_Count	0
21026	Non-hydrogen_Atom_Count	11
134824657	Mono_Isotopic_Weight	529.21726296
99646540	Undefined_Atom_Stereo_Count	0
9877746	Covalent_Unit_Count	1
4020	Defined_Atom_Stereo_Count	0
5829	Isotope_Atom_Count	0
11916	Rotatable_Bond_Count	1
6918140	TPSA	87
135434911	Hydrogen_Bond_Acceptor_Count	5
360129	Covalent_Unit_Count	1
6433266	Covalent_Unit_Count	1
53466061	Structure_Complexity	650
3023	Undefined_Bond_Stereo_Count	0
388136	Hydrogen_Bond_Donor_Count	1
53434235	Exact_Mass	93.057849228
72571	Structure_Complexity	675
40473182	Hydrogen_Bond_Acceptor_Count	5
24763119	Undefined_Atom_Stereo_Count	0
445318	Molecular_Weight	292.37
506605	Covalent_Unit_Count	1
44392124	Structure_Complexity	620
12296	XLogP3-AA	1.6
83717	Covalent_Unit_Count	1
40473182	Structure_Complexity	179
15569631	Isotope_Atom_Count	0
84979	Exact_Mass	126.90308
96395	Total_Formal_Charge	0
69391	XLogP3-AA	0.4
98043897	Structure_Complexity	688
2283	Undefined_Atom_Stereo_Count	15
66972027	Isotope_Atom_Count	0
53320114	TPSA	25.4
19354670	Mono_Isotopic_Weight	86.084398327
56665393	Defined_Atom_Stereo_Count	0
18730068	Undefined_Bond_Stereo_Count	0
9470	TPSA	45.2
456389	Defined_Bond_Stereo_Count	0
8820	Total_Formal_Charge	0
6471	Exact_Mass	261.172878976
160796	Exact_Mass	295.0894550
142383	Defined_Atom_Stereo_Count	0
12630477	Rotatable_Bond_Count	0
5355853	Total_Formal_Charge	0
6693	Undefined_Bond_Stereo_Count	0
7181	XLogP3	1
148546849	Defined_Bond_Stereo_Count	0
433604	Structure_Complexity	142
551778	Total_Formal_Charge	0
11403482	Exact_Mass	287.0349209
968	Undefined_Bond_Stereo_Count	0
91591	Exact_Mass	143.0137915
20996	Hydrogen_Bond_Acceptor_Count	0
52945793	Hydrogen_Bond_Donor_Count	1
249502	Structure_Complexity	127
93285	Defined_Bond_Stereo_Count	0
5152	Total_Formal_Charge	0
526950	Undefined_Bond_Stereo_Count	0
12270070	Mono_Isotopic_Weight	87.068413911
56972665	Hydrogen_Bond_Donor_Count	0
10399	Covalent_Unit_Count	1
70291	Non-hydrogen_Atom_Count	11
66673773	Molecular_Weight	114.08
14045186	Hydrogen_Bond_Acceptor_Count	2
210320	Structure_Complexity	448
71402	Covalent_Unit_Count	1
19536	Hydrogen_Bond_Donor_Count	0
47024	Exact_Mass	378.08043
71517531	XLogP3-AA	3.1
13432441	Mono_Isotopic_Weight	103.099714038
39494	Exact_Mass	345.1607901
8067	Tautomer_Count	1
25166913	Isotope_Atom_Count	0
24180695	Molecular_Weight	209.24
442482	Rotatable_Bond_Count	1
70813	Mono_Isotopic_Weight	216.00674260
78590	Undefined_Atom_Stereo_Count	0
12540922	Exact_Mass	112.088815002
128872	Defined_Atom_Stereo_Count	0
65724	Total_Formal_Charge	0
5484	Hydrogen_Bond_Donor_Count	0
6382	Molecular_Weight	209.82
59172784	Molecular_Weight	95.14
74601	Structure_Complexity	135
148350	Undefined_Atom_Stereo_Count	1
138772	Total_Formal_Charge	0
11325699	Rotatable_Bond_Count	6
7857	Hydrogen_Bond_Donor_Count	1
55291103	Mono_Isotopic_Weight	114.042927438
17159	Hydrogen_Bond_Donor_Count	0
10975431	TPSA	20.2
25070195	Hydrogen_Bond_Acceptor_Count	5
16989	Total_Formal_Charge	0
12507028	XLogP3-AA	1.4
22097456	Mono_Isotopic_Weight	112.063662883
7919	Total_Formal_Charge	0
12317358	XLogP3-AA	0
10240761	Covalent_Unit_Count	1
64032	Exact_Mass	332.0806812
10405318	Undefined_Atom_Stereo_Count	0
15239355	Structure_Complexity	69.2
3191	XLogP3-AA	7.2
59392023	Isotope_Atom_Count	0
51357128	Hydrogen_Bond_Acceptor_Count	7
138718771	Mono_Isotopic_Weight	100.100048391
123891134	Undefined_Atom_Stereo_Count	4
135398737	Defined_Atom_Stereo_Count	0
4924	Exact_Mass	219.02319428
133886	Tautomer_Count	7
6651	Structure_Complexity	155
4786	Hydrogen_Bond_Donor_Count	2
12877	Undefined_Atom_Stereo_Count	0
376375	Covalent_Unit_Count	1
430795	Exact_Mass	202.21574685
11907	Total_Formal_Charge	0
3000346	Hydrogen_Bond_Donor_Count	3
551191	Hydrogen_Bond_Acceptor_Count	1
84878	Exact_Mass	29.997988624
5459910	TPSA	38.8
17162	XLogP3-AA	2.9
92765	TPSA	30.9
123415454	Exact_Mass	97.089149355
11201358	Rotatable_Bond_Count	2
69286	Undefined_Atom_Stereo_Count	0
636405	Mono_Isotopic_Weight	612.12093748
146675212	Structure_Complexity	2510
10205	Total_Formal_Charge	0
8658	TPSA	26.3
5087	Defined_Bond_Stereo_Count	0
10657742	Structure_Complexity	315
57357013	Hydrogen_Bond_Donor_Count	1
25066467	Isotope_Atom_Count	0
72604488	Total_Formal_Charge	0
103392307	Hydrogen_Bond_Acceptor_Count	1
20192394	Structure_Complexity	139
58168922	Exact_Mass	101.084063974
560	Undefined_Atom_Stereo_Count	2
25008593	Isotope_Atom_Count	0
140159201	Structure_Complexity	52
83123	Non-hydrogen_Atom_Count	14
18303	TPSA	26.3
36332	Non-hydrogen_Atom_Count	12
11485687	Mono_Isotopic_Weight	376.10347683
1615208	Covalent_Unit_Count	1
25142310	Defined_Bond_Stereo_Count	0
24314	Covalent_Unit_Count	1
85538	Hydrogen_Bond_Donor_Count	2
53393621	Isotope_Atom_Count	0
16682746	TPSA	9.2
31279	Undefined_Atom_Stereo_Count	0
140996483	Defined_Bond_Stereo_Count	0
449331	Undefined_Bond_Stereo_Count	0
27307547	Hydrogen_Bond_Donor_Count	0
72200110	Covalent_Unit_Count	1
5289531	Defined_Bond_Stereo_Count	0
41257	Tautomer_Count	1
9043	Undefined_Bond_Stereo_Count	0
25154200	Molecular_Weight	397.3
137941	Defined_Bond_Stereo_Count	0
48000	Rotatable_Bond_Count	16
58460047	TPSA	98
3053755	Defined_Bond_Stereo_Count	0
4479	Undefined_Atom_Stereo_Count	9
88133875	Structure_Complexity	75.7
28125489	Non-hydrogen_Atom_Count	17
24855	Covalent_Unit_Count	1
165542295	Undefined_Atom_Stereo_Count	2
6466	Non-hydrogen_Atom_Count	25
38141	Mono_Isotopic_Weight	371.1764402
18323753	Exact_Mass	108.032362755
13415147	Rotatable_Bond_Count	2
315	Isotope_Atom_Count	0
10709065	Hydrogen_Bond_Acceptor_Count	4
67811115	Defined_Atom_Stereo_Count	0
49170	Tautomer_Count	5
98330	Defined_Atom_Stereo_Count	0
101115582	Structure_Complexity	94.6
14949721	Mono_Isotopic_Weight	99.104799419
62336	Hydrogen_Bond_Acceptor_Count	2
34481	Structure_Complexity	426
5351564	Molecular_Weight	400.3
10039	Defined_Atom_Stereo_Count	0
73455777	Mono_Isotopic_Weight	112.088815002
164667083	Undefined_Bond_Stereo_Count	0
124744578	Molecular_Weight	843.1
57372628	Total_Formal_Charge	0
297618	Undefined_Atom_Stereo_Count	2
60574	Undefined_Atom_Stereo_Count	1
270010	Undefined_Atom_Stereo_Count	0
78324	Defined_Bond_Stereo_Count	0
447407	Covalent_Unit_Count	1
6890	Covalent_Unit_Count	1
24765417	Non-hydrogen_Atom_Count	19
12444324	Undefined_Atom_Stereo_Count	0
60496	Rotatable_Bond_Count	11
121290450	Mono_Isotopic_Weight	112.052429494
84032542	Exact_Mass	113.047678466
74616	Isotope_Atom_Count	0
5246420	Molecular_Weight	280.50
18521191	Molecular_Weight	97.16
1899	Covalent_Unit_Count	1
14325610	Structure_Complexity	40.7
5284447	Non-hydrogen_Atom_Count	47
12749	XLogP3	0.2
3781988	Rotatable_Bond_Count	6
73950789	Defined_Bond_Stereo_Count	0
21579142	Covalent_Unit_Count	1
2835211	Isotope_Atom_Count	0
197942	Defined_Bond_Stereo_Count	0
6775	Isotope_Atom_Count	0
101589314	Undefined_Atom_Stereo_Count	2
23670770	Non-hydrogen_Atom_Count	27
74180	Non-hydrogen_Atom_Count	20
13884	Total_Formal_Charge	0
53846421	Molecular_Weight	416.6
101249755	Non-hydrogen_Atom_Count	25
60867	Molecular_Weight	280.28
135401234	Hydrogen_Bond_Acceptor_Count	8
118177912	Hydrogen_Bond_Acceptor_Count	1
7017101	Molecular_Weight	124.14
41625	Hydrogen_Bond_Acceptor_Count	4
533909	TPSA	35.2
91490309	Hydrogen_Bond_Acceptor_Count	3
71221	Undefined_Bond_Stereo_Count	0
66708587	Covalent_Unit_Count	1
9590	TPSA	45.8
5116	Molecular_Weight	333.2
89138978	Molecular_Weight	102.14
13593931	Defined_Bond_Stereo_Count	0
73698	Mono_Isotopic_Weight	236.083729621
122188	Undefined_Bond_Stereo_Count	0
9855795	Molecular_Weight	204.35
681950	Structure_Complexity	285
87503479	Undefined_Bond_Stereo_Count	0
8226	Undefined_Atom_Stereo_Count	0
46936772	Non-hydrogen_Atom_Count	42
18160	Hydrogen_Bond_Donor_Count	0
18615953	Mono_Isotopic_Weight	116.058577502
11517780	Non-hydrogen_Atom_Count	29
21972427	TPSA	60.1
6441265	Covalent_Unit_Count	1
8336	XLogP3-AA	0
517859	Non-hydrogen_Atom_Count	8
55288974	Mono_Isotopic_Weight	111.068413911
10440976	Total_Formal_Charge	0
76118878	Hydrogen_Bond_Acceptor_Count	2
1130	Defined_Atom_Stereo_Count	0
135013065	TPSA	31.2
75634	Defined_Bond_Stereo_Count	0
15098633	Covalent_Unit_Count	1
54	Undefined_Atom_Stereo_Count	6
75705	Undefined_Bond_Stereo_Count	0
15482943	XLogP3-AA	1.1
9566269	Isotope_Atom_Count	0
117774578	Hydrogen_Bond_Acceptor_Count	2
67522	Total_Formal_Charge	0
20511	Isotope_Atom_Count	0
98047376	Hydrogen_Bond_Donor_Count	1
3784	Tautomer_Count	5
53993017	Undefined_Bond_Stereo_Count	0
13551	Undefined_Bond_Stereo_Count	0
10991686	Undefined_Atom_Stereo_Count	0
129628370	Rotatable_Bond_Count	0
3108	Structure_Complexity	561
51030053	Defined_Atom_Stereo_Count	0
8594	Molecular_Weight	291.3
6935	Covalent_Unit_Count	1
45452	Defined_Bond_Stereo_Count	0
70385	Isotope_Atom_Count	0
444837	Non-hydrogen_Atom_Count	63
5284579	Isotope_Atom_Count	0
5352693	Total_Formal_Charge	0
119202	Tautomer_Count	5
13376	XLogP3-AA	0.8
73742	XLogP3	1.9
89129308	Molecular_Weight	114.19
12146767	Hydrogen_Bond_Acceptor_Count	1
139595130	Hydrogen_Bond_Acceptor_Count	16
46835136	Total_Formal_Charge	0
54408458	Total_Formal_Charge	0
64617	Covalent_Unit_Count	1
60995	Isotope_Atom_Count	0
15271454	Exact_Mass	95.037113783
681701	Undefined_Bond_Stereo_Count	1
22022636	Defined_Bond_Stereo_Count	0
233979	Covalent_Unit_Count	1
119921	Isotope_Atom_Count	0
76592	Undefined_Bond_Stereo_Count	0
16129675	Molecular_Weight	1352.4
11957621	Structure_Complexity	130
534362	Defined_Atom_Stereo_Count	0
65918814	Isotope_Atom_Count	0
71777654	Undefined_Bond_Stereo_Count	0
87237616	Defined_Atom_Stereo_Count	0
3082754	Isotope_Atom_Count	0
92765	Tautomer_Count	1
2733245	Undefined_Atom_Stereo_Count	0
6919051	Hydrogen_Bond_Acceptor_Count	6
20470942	Hydrogen_Bond_Acceptor_Count	2
60196425	Isotope_Atom_Count	0
53875238	Undefined_Atom_Stereo_Count	1
91419082	Undefined_Bond_Stereo_Count	0
153884978	Mono_Isotopic_Weight	113.058911855
17259	Exact_Mass	156.115029749
44310852	TPSA	64.1
136219154	Total_Formal_Charge	0
11428	Rotatable_Bond_Count	2
58143010	Undefined_Atom_Stereo_Count	0
18622352	XLogP3-AA	0.3
644109	Defined_Atom_Stereo_Count	5
54193461	Hydrogen_Bond_Donor_Count	0
25271818	Non-hydrogen_Atom_Count	25
6713368	Hydrogen_Bond_Acceptor_Count	1
89822	Defined_Atom_Stereo_Count	0
10870	Exact_Mass	134.109550447
10099005	Structure_Complexity	983
69333875	Undefined_Atom_Stereo_Count	0
51200	Mono_Isotopic_Weight	236.094963011
5460221	Structure_Complexity	228
107250	Defined_Bond_Stereo_Count	0
96191	Isotope_Atom_Count	0
101437085	Mono_Isotopic_Weight	489.15256851
132451761	Non-hydrogen_Atom_Count	293
65584	Non-hydrogen_Atom_Count	12
97617	Rotatable_Bond_Count	0
448513	Defined_Bond_Stereo_Count	0
31639	Non-hydrogen_Atom_Count	14
358996	Undefined_Bond_Stereo_Count	0
19350299	Rotatable_Bond_Count	3
1969	Tautomer_Count	1
14917	Non-hydrogen_Atom_Count	1
84221363	Isotope_Atom_Count	0
4961971	Structure_Complexity	62.7
6970	Isotope_Atom_Count	0
135554980	Exact_Mass	87.006876283
52946545	Defined_Atom_Stereo_Count	1
70122	Undefined_Atom_Stereo_Count	0
24848341	Mono_Isotopic_Weight	285.14254485
24877326	Isotope_Atom_Count	0
18518868	Isotope_Atom_Count	0
6509753	Total_Formal_Charge	0
91463	Tautomer_Count	1
12902	TPSA	20.2
517072	Rotatable_Bond_Count	0
142959	Hydrogen_Bond_Acceptor_Count	4
141	Defined_Bond_Stereo_Count	0
87064	Mono_Isotopic_Weight	195.162314293
5455	Rotatable_Bond_Count	3
446934	Molecular_Weight	292.5
3036261	Hydrogen_Bond_Donor_Count	4
11154711	Exact_Mass	432.08136409
135527345	Defined_Bond_Stereo_Count	0
903675	Undefined_Atom_Stereo_Count	0
77794	Undefined_Atom_Stereo_Count	0
102601177	Undefined_Atom_Stereo_Count	1
67656913	Isotope_Atom_Count	0
20526784	Hydrogen_Bond_Donor_Count	2
123504	Hydrogen_Bond_Acceptor_Count	2
27465	Total_Formal_Charge	0
85663349	Hydrogen_Bond_Acceptor_Count	1
58468319	Molecular_Weight	114.19
643209	Isotope_Atom_Count	0
11017	Hydrogen_Bond_Acceptor_Count	7
137326482	Defined_Bond_Stereo_Count	0
14184222	Covalent_Unit_Count	1
21106	Undefined_Bond_Stereo_Count	0
153932472	XLogP3-AA	1.2
29079	Mono_Isotopic_Weight	240.03823598
54682536	Hydrogen_Bond_Acceptor_Count	14
164106781	Non-hydrogen_Atom_Count	8
54583932	Hydrogen_Bond_Acceptor_Count	4
59939847	Undefined_Atom_Stereo_Count	1
7608	Hydrogen_Bond_Donor_Count	1
18793	Structure_Complexity	166
6125184	Non-hydrogen_Atom_Count	24
8250	Structure_Complexity	303
135492	Covalent_Unit_Count	1
11964036	XLogP3-AA	4.9
443210	Undefined_Bond_Stereo_Count	0
13208114	Total_Formal_Charge	0
33919	Isotope_Atom_Count	0
20691661	Hydrogen_Bond_Donor_Count	2
4195	Undefined_Bond_Stereo_Count	0
101778159	Covalent_Unit_Count	1
57751150	Hydrogen_Bond_Acceptor_Count	3
143342009	Structure_Complexity	115
517057	Tautomer_Count	1
2604	Non-hydrogen_Atom_Count	20
24779724	Defined_Bond_Stereo_Count	0
10331863	Mono_Isotopic_Weight	240.10627659
55299744	XLogP3-AA	1
249502	Exact_Mass	192.151415257
9928016	Hydrogen_Bond_Acceptor_Count	4
23480	Hydrogen_Bond_Donor_Count	1
4369414	Hydrogen_Bond_Acceptor_Count	8
101401747	Rotatable_Bond_Count	3
10176082	TPSA	3
14669	Rotatable_Bond_Count	4
25209	Exact_Mass	196.219100893
69488026	Rotatable_Bond_Count	0
153929434	Structure_Complexity	99.9
27944	Defined_Atom_Stereo_Count	1
637932	Mono_Isotopic_Weight	84.05512859
815404	Hydrogen_Bond_Donor_Count	0
10301	Molecular_Weight	136.15
87642	Defined_Atom_Stereo_Count	5
5362736	Defined_Atom_Stereo_Count	0
46085	Defined_Bond_Stereo_Count	0
141024055	Mono_Isotopic_Weight	108.068748264
10975450	Undefined_Atom_Stereo_Count	0
10286	Defined_Bond_Stereo_Count	0
5376733	Mono_Isotopic_Weight	232.125200510
11169170	TPSA	162
538774	Defined_Atom_Stereo_Count	0
83960	Molecular_Weight	499.2
18696583	Defined_Atom_Stereo_Count	0
29637	Non-hydrogen_Atom_Count	13
53701126	Molecular_Weight	109.17
40589	Tautomer_Count	1
256539	Structure_Complexity	345
20056743	Defined_Atom_Stereo_Count	0
4518	Total_Formal_Charge	0
548185	Mono_Isotopic_Weight	139.03031432
8264	Exact_Mass	154.06712817
91693	Molecular_Weight	284.18
11105310	Hydrogen_Bond_Acceptor_Count	1
83322	Undefined_Bond_Stereo_Count	0
63996	Molecular_Weight	308.3
78201192	Hydrogen_Bond_Acceptor_Count	2
65370	Mono_Isotopic_Weight	563.28025714
2733525	Hydrogen_Bond_Donor_Count	4
98053103	XLogP3-AA	2.8
6399027	Covalent_Unit_Count	1
9954082	Non-hydrogen_Atom_Count	29
118210808	Undefined_Atom_Stereo_Count	2
16051971	Rotatable_Bond_Count	9
439918	Exact_Mass	175.05930578
59704100	XLogP3-AA	0.4
6437380	Isotope_Atom_Count	0
108157	Hydrogen_Bond_Donor_Count	1
3392460	Isotope_Atom_Count	0
11319223	Isotope_Atom_Count	0
638105	XLogP3-AA	0.1
854019	Isotope_Atom_Count	0
129653817	Exact_Mass	134.080169959
68396	Rotatable_Bond_Count	0
28692	Undefined_Bond_Stereo_Count	0
538141	TPSA	35.3
11430856	Undefined_Atom_Stereo_Count	0
46782912	TPSA	62.3
5773	Mono_Isotopic_Weight	415.06604838
11526696	Hydrogen_Bond_Donor_Count	3
54236240	Defined_Atom_Stereo_Count	0
154141939	Hydrogen_Bond_Acceptor_Count	3
9549303	Defined_Bond_Stereo_Count	0
39507	Exact_Mass	370.25079494
5282474	Hydrogen_Bond_Acceptor_Count	9
44570889	Hydrogen_Bond_Donor_Count	2
10254700	Structure_Complexity	506
135398558	Rotatable_Bond_Count	7
864	XLogP3-AA	1.7
225711	Mono_Isotopic_Weight	102.068079557
11341	Hydrogen_Bond_Acceptor_Count	2
444097	Exact_Mass	616.177291
8291	Exact_Mass	264.05514589
927764	TPSA	73.5
53728104	Undefined_Bond_Stereo_Count	0
19646	Hydrogen_Bond_Acceptor_Count	6
60201425	Hydrogen_Bond_Donor_Count	2
56033	Tautomer_Count	5
107689	Structure_Complexity	59.1
3667129	Rotatable_Bond_Count	2
22715990	Defined_Bond_Stereo_Count	0
4952	Total_Formal_Charge	0
13568501	Mono_Isotopic_Weight	111.079647300
56834577	TPSA	102
135445749	TPSA	204
56672297	Exact_Mass	410.16666561
456410	Non-hydrogen_Atom_Count	20
54278701	Defined_Atom_Stereo_Count	0
3032576	Mono_Isotopic_Weight	324.183778013
6857474	Hydrogen_Bond_Donor_Count	2
15559706	Hydrogen_Bond_Donor_Count	0
10301884	XLogP3-AA	5.1
1519487	Structure_Complexity	32.5
87359450	TPSA	30.9
138107735	Defined_Atom_Stereo_Count	4
74448	Hydrogen_Bond_Donor_Count	0
23080912	Total_Formal_Charge	0
123600	Structure_Complexity	227
13889162	Defined_Atom_Stereo_Count	0
3449165	Hydrogen_Bond_Acceptor_Count	5
18517118	Hydrogen_Bond_Donor_Count	1
137720	Hydrogen_Bond_Acceptor_Count	2
16663248	Total_Formal_Charge	0
91618345	Non-hydrogen_Atom_Count	8
65856	Hydrogen_Bond_Acceptor_Count	4
161218	Structure_Complexity	580
153274329	Hydrogen_Bond_Donor_Count	4
55855	Exact_Mass	280.157563266
524682	Hydrogen_Bond_Donor_Count	0
4838	Molecular_Weight	165.21
5375	Defined_Atom_Stereo_Count	0
29455	Hydrogen_Bond_Acceptor_Count	1
22559336	Hydrogen_Bond_Donor_Count	0
52945780	Structure_Complexity	671
4969	Tautomer_Count	10
62485	Undefined_Atom_Stereo_Count	0
57270176	Defined_Bond_Stereo_Count	0
9885355	Hydrogen_Bond_Donor_Count	2
58654632	Defined_Bond_Stereo_Count	0
6436138	Structure_Complexity	499
6454351	Covalent_Unit_Count	1
8730	Undefined_Atom_Stereo_Count	0
47547	Isotope_Atom_Count	0
91756	Molecular_Weight	410.4
81592	Hydrogen_Bond_Acceptor_Count	2
129870262	Rotatable_Bond_Count	0
79154	Hydrogen_Bond_Acceptor_Count	2
69632065	Non-hydrogen_Atom_Count	8
71849	Hydrogen_Bond_Acceptor_Count	2
12927948	Total_Formal_Charge	0
53910938	XLogP3-AA	3
6473	Covalent_Unit_Count	1
69946325	Isotope_Atom_Count	0
3803614	XLogP3-AA	0.6
15054176	Undefined_Atom_Stereo_Count	0
19801	Mono_Isotopic_Weight	154.135765193
14120	Isotope_Atom_Count	0
23688976	Exact_Mass	229.07485883
4609	Structure_Complexity	191
441242	Defined_Atom_Stereo_Count	2
721	Covalent_Unit_Count	1
18924037	Covalent_Unit_Count	1
21770	Structure_Complexity	370
19910150	XLogP3-AA	0.5
9853710	Tautomer_Count	24
8124	Covalent_Unit_Count	1
202877	TPSA	132
154496863	TPSA	190
139586083	Hydrogen_Bond_Donor_Count	16
11543	Structure_Complexity	48.1
53319416	Exact_Mass	484.0956626
450484	Undefined_Atom_Stereo_Count	0
29051	Non-hydrogen_Atom_Count	76
159889	Structure_Complexity	315
5282200	Hydrogen_Bond_Donor_Count	10
21914607	Molecular_Weight	99.17
16663248	Non-hydrogen_Atom_Count	28
24268	Hydrogen_Bond_Acceptor_Count	3
60753	XLogP3-AA	4
152257	Hydrogen_Bond_Donor_Count	1
9925	Tautomer_Count	2
57397776	Covalent_Unit_Count	1
56955071	Molecular_Weight	339.4
447199	Molecular_Weight	267.24
3262020	Mono_Isotopic_Weight	135.01159025
637760	Hydrogen_Bond_Donor_Count	0
31018	Hydrogen_Bond_Acceptor_Count	2
5361309	Exact_Mass	434.16647101
136585	TPSA	0
21107383	XLogP3-AA	3.5
28674	Isotope_Atom_Count	0
53413800	XLogP3-AA	0.4
11375895	Undefined_Bond_Stereo_Count	0
2966	Mono_Isotopic_Weight	175.110947427
49864506	Non-hydrogen_Atom_Count	20
26033	Hydrogen_Bond_Acceptor_Count	8
4013	Covalent_Unit_Count	1
9800972	Isotope_Atom_Count	0
2724279	Hydrogen_Bond_Acceptor_Count	3
86673	Mono_Isotopic_Weight	206.09027155
5288453	Isotope_Atom_Count	0
87504	Exact_Mass	677.49955525
524643	Non-hydrogen_Atom_Count	7
10441670	Total_Formal_Charge	0
176155	Mono_Isotopic_Weight	377.09981148
4376	Covalent_Unit_Count	1
12599129	Undefined_Atom_Stereo_Count	0
5738	Undefined_Bond_Stereo_Count	0
7470	XLogP3	2.3
73174	Covalent_Unit_Count	1
33637	Hydrogen_Bond_Donor_Count	0
69829	Exact_Mass	96.093900383
71296969	Covalent_Unit_Count	2
98181815	Hydrogen_Bond_Donor_Count	1
2733484	Molecular_Weight	376.9
57784	Hydrogen_Bond_Acceptor_Count	6
913	Molecular_Weight	151.21
146156434	Rotatable_Bond_Count	9
78494	Exact_Mass	136.052429494
610072	Molecular_Weight	222.37
71433133	Covalent_Unit_Count	1
676166	Defined_Bond_Stereo_Count	0
139064747	Undefined_Atom_Stereo_Count	0
669019	TPSA	54.6
25660	Hydrogen_Bond_Acceptor_Count	2
146159626	Hydrogen_Bond_Acceptor_Count	6
15983550	Exact_Mass	467.21686904
439756	Defined_Atom_Stereo_Count	1
5572	Hydrogen_Bond_Donor_Count	1
12350	TPSA	0
12378	Undefined_Atom_Stereo_Count	0
80478	Structure_Complexity	298
25185057	Exact_Mass	507.30184471
25612	Isotope_Atom_Count	0
144793800	Mono_Isotopic_Weight	102.079312947
1894	Total_Formal_Charge	0
16218739	Undefined_Bond_Stereo_Count	0
11326613	Isotope_Atom_Count	0
129317062	Undefined_Atom_Stereo_Count	1
23724827	Hydrogen_Bond_Donor_Count	3
51003592	Covalent_Unit_Count	1
6450173	Hydrogen_Bond_Donor_Count	3
40521	Exact_Mass	335.0724492
60960	Covalent_Unit_Count	2
12202794	Hydrogen_Bond_Donor_Count	1
11560	Undefined_Atom_Stereo_Count	0
965784	XLogP3-AA	4
45110509	Undefined_Bond_Stereo_Count	0
42608371	Isotope_Atom_Count	0
6908	XLogP3	4.6
7566942	Mono_Isotopic_Weight	342.11621151
23721821	Hydrogen_Bond_Acceptor_Count	9
53651707	Hydrogen_Bond_Acceptor_Count	3
25127299	Hydrogen_Bond_Donor_Count	1
20912	Mono_Isotopic_Weight	81.057849228
448503	Mono_Isotopic_Weight	118.098037015
96389	XLogP3	2.2
71270	Undefined_Atom_Stereo_Count	2
95010	Tautomer_Count	1
44418576	Undefined_Atom_Stereo_Count	0
15020	Undefined_Atom_Stereo_Count	0
71572	Rotatable_Bond_Count	1
30199	Tautomer_Count	2
92416	Hydrogen_Bond_Acceptor_Count	4
40998	Rotatable_Bond_Count	13
44310254	Mono_Isotopic_Weight	382.1578689
44339779	Total_Formal_Charge	0
71484	Covalent_Unit_Count	3
117841973	TPSA	45.6
96338	TPSA	29.1
25094630	Structure_Complexity	522
4110	XLogP3-AA	4.7
52948843	Non-hydrogen_Atom_Count	25
155893809	Covalent_Unit_Count	1
86388	Non-hydrogen_Atom_Count	25
51371222	Molecular_Weight	392.18
138493	Defined_Atom_Stereo_Count	0
91168430	Defined_Bond_Stereo_Count	0
25835	TPSA	0
3425	Isotope_Atom_Count	0
7757	Non-hydrogen_Atom_Count	8
28230148	TPSA	93.2
12943708	Hydrogen_Bond_Acceptor_Count	1
6537488	Mono_Isotopic_Weight	199.04807239
5288499	Covalent_Unit_Count	1
92374	Defined_Atom_Stereo_Count	0
130114929	Molecular_Weight	82.10
54572793	TPSA	45.1
142518	Undefined_Bond_Stereo_Count	0
7023411	Undefined_Bond_Stereo_Count	0
53672	Hydrogen_Bond_Acceptor_Count	10
17318	Defined_Atom_Stereo_Count	0
41097873	Rotatable_Bond_Count	0
499988	Non-hydrogen_Atom_Count	30
637541	Undefined_Atom_Stereo_Count	0
44310763	XLogP3-AA	3.8
51340308	Defined_Atom_Stereo_Count	0
57345537	XLogP3-AA	1.6
31255	Defined_Atom_Stereo_Count	0
3628	Total_Formal_Charge	0
7252	Rotatable_Bond_Count	0
5371993	Defined_Bond_Stereo_Count	2
12715	Mono_Isotopic_Weight	116.094963011
649230	Hydrogen_Bond_Donor_Count	0
58506875	Total_Formal_Charge	0
12578535	Defined_Bond_Stereo_Count	0
11051586	Rotatable_Bond_Count	2
71237	Hydrogen_Bond_Acceptor_Count	8
77530	Hydrogen_Bond_Donor_Count	0
688803	Undefined_Bond_Stereo_Count	0
3777159	Rotatable_Bond_Count	3
148201	Undefined_Atom_Stereo_Count	0
10061651	Hydrogen_Bond_Acceptor_Count	2
76476	Mono_Isotopic_Weight	255.12907007
21917899	Non-hydrogen_Atom_Count	13
4171	Non-hydrogen_Atom_Count	19
143060	Rotatable_Bond_Count	1
88481084	XLogP3-AA	5.1
22291085	Mono_Isotopic_Weight	522.22670545
2826731	Defined_Atom_Stereo_Count	0
714222	Defined_Bond_Stereo_Count	0
37427	Rotatable_Bond_Count	4
290807	Exact_Mass	115.099714038
12385939	Structure_Complexity	111
135121698	Structure_Complexity	258
91143491	Exact_Mass	99.068413911
122051	Hydrogen_Bond_Acceptor_Count	1
22831357	Mono_Isotopic_Weight	154.135765193
70447162	Defined_Atom_Stereo_Count	0
75321	Defined_Bond_Stereo_Count	0
79828	Exact_Mass	157.93523489
9832447	Molecular_Weight	502.6
391138	XLogP3-AA	2.9
448653	Defined_Bond_Stereo_Count	2
188583	Covalent_Unit_Count	1
87254011	XLogP3-AA	1.9
56950301	Structure_Complexity	732
160154	Hydrogen_Bond_Acceptor_Count	3
136499	Rotatable_Bond_Count	0
114743	Undefined_Atom_Stereo_Count	0
3571	Undefined_Bond_Stereo_Count	0
16221343	Total_Formal_Charge	0
2724564	Structure_Complexity	96.6
69341308	Defined_Bond_Stereo_Count	0
11446863	Tautomer_Count	2
161105	Defined_Bond_Stereo_Count	0
96517	Structure_Complexity	436
824060	TPSA	71.9
69627068	Non-hydrogen_Atom_Count	8
123217479	Molecular_Weight	92.14
130429734	Undefined_Bond_Stereo_Count	0
10996972	XLogP3-AA	1.4
5224	TPSA	214
5489012	Tautomer_Count	2
71713951	Covalent_Unit_Count	1
5158	TPSA	431
17652	Non-hydrogen_Atom_Count	11
945090	Structure_Complexity	369
162908	Defined_Bond_Stereo_Count	0
65755	Rotatable_Bond_Count	7
12417	Isotope_Atom_Count	0
6921	Structure_Complexity	132
13393280	Covalent_Unit_Count	1
9958995	Structure_Complexity	1310
10302451	Undefined_Atom_Stereo_Count	0
7594067	Structure_Complexity	458
37464	Total_Formal_Charge	0
153665501	TPSA	0
44230575	Undefined_Bond_Stereo_Count	0
9963516	TPSA	60.7
67258704	XLogP3-AA	0.7
55891	Defined_Bond_Stereo_Count	0
57370827	Rotatable_Bond_Count	0
9902908	TPSA	139
71584401	Rotatable_Bond_Count	8
4068533	Exact_Mass	94.00307362
28810	Hydrogen_Bond_Donor_Count	1
642163	Defined_Atom_Stereo_Count	1
15788279	Hydrogen_Bond_Acceptor_Count	2
10351178	Covalent_Unit_Count	1
92337	Defined_Bond_Stereo_Count	0
3068367	Hydrogen_Bond_Acceptor_Count	16
7491	Undefined_Atom_Stereo_Count	0
883785	Structure_Complexity	248
71457269	Hydrogen_Bond_Donor_Count	2
5282199	Structure_Complexity	482
88867195	Exact_Mass	113.120449483
81577	TPSA	45.8
1009	Mono_Isotopic_Weight	720.01216123
84834	Exact_Mass	124.01941529
57780676	Molecular_Weight	102.14
11061169	Total_Formal_Charge	0
5054	Mono_Isotopic_Weight	110.036779430
5942099	Exact_Mass	306.13280507
8480	Hydrogen_Bond_Donor_Count	4
9874838	Defined_Atom_Stereo_Count	0
12794201	Exact_Mass	97.052763847
14988399	TPSA	26
638132	Covalent_Unit_Count	1
130881	Molecular_Weight	558.6
5311283	Rotatable_Bond_Count	9
139087298	TPSA	89.7
164584	Undefined_Bond_Stereo_Count	0
2724588	Undefined_Bond_Stereo_Count	0
22385728	Undefined_Bond_Stereo_Count	0
22129001	Covalent_Unit_Count	1
53894233	TPSA	17.1
999	Hydrogen_Bond_Donor_Count	1
44392137	Structure_Complexity	820
91895934	Undefined_Atom_Stereo_Count	0
17439	Defined_Atom_Stereo_Count	0
6451	TPSA	92.2
58781694	Exact_Mass	115.063328530
6386307	Molecular_Weight	354.5
751341	Molecular_Weight	301.29
3763	Mono_Isotopic_Weight	183.9714332
22507733	TPSA	21.3
16682953	Defined_Bond_Stereo_Count	0
369401	Molecular_Weight	248.28
1560	Total_Formal_Charge	0
87953	Rotatable_Bond_Count	17
5291	Exact_Mass	493.25900864
53973376	TPSA	44
36976	Covalent_Unit_Count	1
12386877	Undefined_Bond_Stereo_Count	0
14362	Structure_Complexity	372
46205733	Non-hydrogen_Atom_Count	42
444266	Rotatable_Bond_Count	2
19016	TPSA	32.1
29356	Rotatable_Bond_Count	6
4921934	Total_Formal_Charge	1
2733928	Structure_Complexity	219
9864202	Total_Formal_Charge	0
23638	Undefined_Bond_Stereo_Count	0
14265921	Total_Formal_Charge	0
18601660	Defined_Atom_Stereo_Count	5
21180574	Defined_Bond_Stereo_Count	0
87428	Structure_Complexity	143
35120	XLogP3-AA	5.6
129508	Non-hydrogen_Atom_Count	26
225688	Undefined_Bond_Stereo_Count	0
446	Hydrogen_Bond_Donor_Count	2
10048368	Exact_Mass	431.07575
36303	Isotope_Atom_Count	0
93074	Hydrogen_Bond_Donor_Count	1
6496	Hydrogen_Bond_Donor_Count	0
14866	XLogP3	2.1
5574	Total_Formal_Charge	0
65399	Total_Formal_Charge	0
24642	Defined_Atom_Stereo_Count	0
69647192	Mono_Isotopic_Weight	113.047678466
50293	Hydrogen_Bond_Acceptor_Count	1
12443367	Exact_Mass	82.027946081
10887879	Molecular_Weight	118.17
10932	Molecular_Weight	103.12
3132	Hydrogen_Bond_Acceptor_Count	4
133083907	TPSA	70
6606	Non-hydrogen_Atom_Count	31
51042	Total_Formal_Charge	0
60794	Mono_Isotopic_Weight	814.2185717
123779724	Defined_Bond_Stereo_Count	0
52922056	Undefined_Atom_Stereo_Count	0
23687810	Structure_Complexity	118
54054	Total_Formal_Charge	0
54757630	Rotatable_Bond_Count	8
5282168	Rotatable_Bond_Count	10
13978	Tautomer_Count	3
2367	Hydrogen_Bond_Acceptor_Count	9
888374	Hydrogen_Bond_Donor_Count	0
54594881	Isotope_Atom_Count	0
3052776	Exact_Mass	171.104799419
9708	Undefined_Atom_Stereo_Count	0
163866164	Defined_Atom_Stereo_Count	0
10407	Exact_Mass	204.187800766
12573513	Isotope_Atom_Count	0
44838	Hydrogen_Bond_Donor_Count	0
12381421	Exact_Mass	96.057514874
91566861	Total_Formal_Charge	0
118972006	Total_Formal_Charge	0
89525526	Molecular_Weight	136.19
6609	Defined_Atom_Stereo_Count	0
67782238	Isotope_Atom_Count	0
10031812	XLogP3-AA	5.1
816	Isotope_Atom_Count	0
2898	Total_Formal_Charge	0
3032282	TPSA	108
83864777	Rotatable_Bond_Count	0
1494	Defined_Bond_Stereo_Count	0
442113	Exact_Mass	262.13174244
70241	Structure_Complexity	316
143723227	Defined_Bond_Stereo_Count	0
9805430	XLogP3-AA	0.8
67054	Hydrogen_Bond_Donor_Count	2
12048	Rotatable_Bond_Count	3
5353521	Total_Formal_Charge	0
138753050	Structure_Complexity	457
14584	Non-hydrogen_Atom_Count	16
94818	Hydrogen_Bond_Donor_Count	1
10329254	XLogP3-AA	1.2
20949	Isotope_Atom_Count	0
52355	Defined_Bond_Stereo_Count	0
18955278	Hydrogen_Bond_Donor_Count	0
76241	Total_Formal_Charge	0
41465	Exact_Mass	256.240230259
3034023	Total_Formal_Charge	0
10909617	Molecular_Weight	134.22
108059	Undefined_Atom_Stereo_Count	0
9851505	Structure_Complexity	141
57406717	Total_Formal_Charge	0
13184286	Total_Formal_Charge	0
20872204	Defined_Bond_Stereo_Count	0
60983	TPSA	34.1
3080818	TPSA	59.4
3047803	Defined_Atom_Stereo_Count	2
451415	Covalent_Unit_Count	1
9285	Tautomer_Count	1
4355	Isotope_Atom_Count	0
11657	TPSA	0
853433	Non-hydrogen_Atom_Count	12
33944	Rotatable_Bond_Count	2
12232989	Exact_Mass	97.089149355
94647	Defined_Bond_Stereo_Count	0
19651	Exact_Mass	529.953300
19428628	Isotope_Atom_Count	0
71567	Rotatable_Bond_Count	3
63992	Undefined_Atom_Stereo_Count	1
2423	Defined_Atom_Stereo_Count	0
2812	Rotatable_Bond_Count	4
23725051	Undefined_Atom_Stereo_Count	1
117791079	Defined_Atom_Stereo_Count	0
123924	XLogP3-AA	4.9
97127	Undefined_Atom_Stereo_Count	0
70683091	Mono_Isotopic_Weight	488.21475861
12278607	Total_Formal_Charge	0
155971294	Covalent_Unit_Count	1
137704528	TPSA	195
128882	Structure_Complexity	794
11116540	Molecular_Weight	173.33
54063593	Total_Formal_Charge	0
12648080	Molecular_Weight	154.16
99010	Isotope_Atom_Count	0
380611	Defined_Atom_Stereo_Count	0
10149311	Total_Formal_Charge	0
46936192	Isotope_Atom_Count	0
10093379	Undefined_Bond_Stereo_Count	0
129833854	Molecular_Weight	353.08
11008865	Molecular_Weight	196.29
16124688	Mono_Isotopic_Weight	376.10347683
18529	Total_Formal_Charge	0
13240377	Rotatable_Bond_Count	3
53960	Mono_Isotopic_Weight	296.1655411
537142	Undefined_Bond_Stereo_Count	0
123373475	Undefined_Bond_Stereo_Count	0
137031	Undefined_Atom_Stereo_Count	0
4560140	Rotatable_Bond_Count	2
61207	Tautomer_Count	1
11539562	Rotatable_Bond_Count	4
54111	Molecular_Weight	290.12
94617	Hydrogen_Bond_Donor_Count	0
6114	Isotope_Atom_Count	0
23679632	Isotope_Atom_Count	0
254656	Covalent_Unit_Count	1
9970626	Molecular_Weight	275.3
13283	Non-hydrogen_Atom_Count	17
51397976	TPSA	135
124486	Hydrogen_Bond_Acceptor_Count	5
116701105	Defined_Bond_Stereo_Count	0
53667465	XLogP3-AA	2.3
19864017	Tautomer_Count	3
24456	Hydrogen_Bond_Acceptor_Count	8
974	Rotatable_Bond_Count	1
25227462	Undefined_Bond_Stereo_Count	0
686807	Isotope_Atom_Count	0
7897	Defined_Atom_Stereo_Count	0
2723704	Hydrogen_Bond_Acceptor_Count	1
4350	Defined_Bond_Stereo_Count	0
60196407	Defined_Atom_Stereo_Count	1
11574638	Defined_Bond_Stereo_Count	0
11590255	Undefined_Atom_Stereo_Count	0
1443	Non-hydrogen_Atom_Count	23
58375	Defined_Bond_Stereo_Count	0
13444042	Molecular_Weight	108.14
98703	TPSA	41.1
25263480	Defined_Atom_Stereo_Count	1
2808977	Hydrogen_Bond_Donor_Count	1
6957672	XLogP3-AA	3.9
6440180	Exact_Mass	429.06010
22902239	Hydrogen_Bond_Acceptor_Count	2
10672195	Covalent_Unit_Count	1
122404566	Rotatable_Bond_Count	4
5250834	Hydrogen_Bond_Acceptor_Count	0
9528	Tautomer_Count	1
69949	TPSA	34.1
60825	Total_Formal_Charge	0
2734687	Hydrogen_Bond_Donor_Count	4
140732872	Undefined_Atom_Stereo_Count	2
54016283	Undefined_Bond_Stereo_Count	0
97536	Defined_Atom_Stereo_Count	2
80293	Undefined_Atom_Stereo_Count	0
5329056	Covalent_Unit_Count	1
3791919	Hydrogen_Bond_Acceptor_Count	2
85296	Non-hydrogen_Atom_Count	9
442501	Tautomer_Count	1
55900	Defined_Bond_Stereo_Count	0
3595	Non-hydrogen_Atom_Count	27
299	TPSA	17.1
25102937	Defined_Atom_Stereo_Count	1
129852452	Covalent_Unit_Count	1
4342487	Hydrogen_Bond_Donor_Count	0
6058	Defined_Bond_Stereo_Count	0
6604796	Rotatable_Bond_Count	2
138813	Exact_Mass	96.057514874
66354	Mono_Isotopic_Weight	83.048347172
4829	Defined_Bond_Stereo_Count	0
5282321	Hydrogen_Bond_Donor_Count	3
11815284	TPSA	21.3
66561	Covalent_Unit_Count	1
86138	Mono_Isotopic_Weight	336.1141743
123840	Molecular_Weight	360.9
23310226	Hydrogen_Bond_Donor_Count	0
18668047	Hydrogen_Bond_Donor_Count	1
14017587	Structure_Complexity	386
557502	Hydrogen_Bond_Donor_Count	1
44383	Structure_Complexity	544
139584807	Undefined_Atom_Stereo_Count	0
404566	Rotatable_Bond_Count	5
13379958	TPSA	17.1
13214429	TPSA	50.6
65963	Defined_Bond_Stereo_Count	0
135398735	Defined_Atom_Stereo_Count	9
246476	TPSA	150
72736	XLogP3-AA	4.7
66545759	Structure_Complexity	880
91711338	Hydrogen_Bond_Acceptor_Count	2
122553	XLogP3-AA	2.7
347475	Total_Formal_Charge	0
31721	TPSA	35.2
18990949	Exact_Mass	101.047678466
13654	Total_Formal_Charge	0
62512	TPSA	40.5
62546	Defined_Bond_Stereo_Count	0
56622517	Covalent_Unit_Count	1
44393	XLogP3-AA	7
124085867	Structure_Complexity	779
71873	Tautomer_Count	1
47824	Hydrogen_Bond_Acceptor_Count	4
317457	Defined_Bond_Stereo_Count	0
90509	Defined_Atom_Stereo_Count	0
16132269	Hydrogen_Bond_Acceptor_Count	17
19600405	Hydrogen_Bond_Donor_Count	0
154183660	Rotatable_Bond_Count	2
9828911	Total_Formal_Charge	0
61008	Defined_Atom_Stereo_Count	0
141770945	Defined_Atom_Stereo_Count	0
70627	Structure_Complexity	236
21263	Mono_Isotopic_Weight	100.052429494
11993	Exact_Mass	237.90463
6009	TPSA	26.8
75211	Rotatable_Bond_Count	10
4992	Covalent_Unit_Count	1
10193406	Hydrogen_Bond_Acceptor_Count	4
146159752	Undefined_Atom_Stereo_Count	5
38306	Covalent_Unit_Count	1
10357919	Structure_Complexity	390
6993349	Molecular_Weight	165.28
10813807	Undefined_Bond_Stereo_Count	0
22313123	Structure_Complexity	297
11291932	Covalent_Unit_Count	1
153254665	Molecular_Weight	111.18
90754	Covalent_Unit_Count	1
638105	Molecular_Weight	80.08
66187	Total_Formal_Charge	0
1072	Isotope_Atom_Count	0
13598997	Undefined_Atom_Stereo_Count	0
11185559	TPSA	56.7
131668531	Structure_Complexity	1850
2735078	Covalent_Unit_Count	1
16760285	Non-hydrogen_Atom_Count	15
11485	Hydrogen_Bond_Acceptor_Count	1
15474	Defined_Bond_Stereo_Count	0
121396	Hydrogen_Bond_Acceptor_Count	5
55289700	Molecular_Weight	114.15
14476155	Mono_Isotopic_Weight	324.14739250
637858	XLogP3-AA	2.1
82740	Isotope_Atom_Count	0
2041326	Covalent_Unit_Count	1
24892716	Non-hydrogen_Atom_Count	109
17788563	Covalent_Unit_Count	1
12150354	Structure_Complexity	46.8
25022354	Structure_Complexity	558
2735362	Undefined_Bond_Stereo_Count	0
36014	Tautomer_Count	1
54099616	Defined_Bond_Stereo_Count	0
5608	TPSA	306
83287	XLogP3-AA	3.6
404291	Structure_Complexity	375
123248	Mono_Isotopic_Weight	70.041864811
9094	Molecular_Weight	158.26
9962911	Mono_Isotopic_Weight	908.38775915
138950	Defined_Atom_Stereo_Count	0
44571147	TPSA	74.5
5365125	Covalent_Unit_Count	1
2774635	Tautomer_Count	1
87877	Hydrogen_Bond_Acceptor_Count	1
11700495	TPSA	107
73707513	Hydrogen_Bond_Acceptor_Count	10
12308	Hydrogen_Bond_Acceptor_Count	1
5976	Undefined_Bond_Stereo_Count	0
443111	Total_Formal_Charge	0
3246605	XLogP3-AA	4.6
454202	Tautomer_Count	2
3081304	Exact_Mass	404.9865439
25025505	Rotatable_Bond_Count	7
72253	Defined_Bond_Stereo_Count	0
54071	Rotatable_Bond_Count	5
65452	Total_Formal_Charge	0
129474	Exact_Mass	291.18344366
94233	Defined_Atom_Stereo_Count	0
11867	Rotatable_Bond_Count	1
33625	Exact_Mass	347.199762429
124316	Hydrogen_Bond_Acceptor_Count	7
52553	Total_Formal_Charge	0
124655	XLogP3-AA	1.6
21917899	Molecular_Weight	180.20
21784	Covalent_Unit_Count	3
12551763	Isotope_Atom_Count	0
34794	Covalent_Unit_Count	2
104163	Hydrogen_Bond_Donor_Count	2
5282494	Exact_Mass	446.26683893
160419	Non-hydrogen_Atom_Count	8
444006	Isotope_Atom_Count	0
98026	Undefined_Atom_Stereo_Count	2
11266523	Undefined_Bond_Stereo_Count	0
3011155	Undefined_Atom_Stereo_Count	0
12245073	Structure_Complexity	62.7
23681909	Mono_Isotopic_Weight	886.0546507
56679113	Total_Formal_Charge	0
71007	Rotatable_Bond_Count	1
67175581	Total_Formal_Charge	0
595999	Isotope_Atom_Count	0
26124	Undefined_Atom_Stereo_Count	0
54022694	Non-hydrogen_Atom_Count	8
34388	Total_Formal_Charge	0
97065	XLogP3-AA	4
61896	Undefined_Atom_Stereo_Count	0
6918524	Defined_Bond_Stereo_Count	0
35378	Covalent_Unit_Count	1
67214459	Defined_Atom_Stereo_Count	0
59330719	Undefined_Bond_Stereo_Count	0
10046162	Undefined_Atom_Stereo_Count	0
102678	Non-hydrogen_Atom_Count	38
6424	Exact_Mass	309.80265
69582	Non-hydrogen_Atom_Count	10
588352	Structure_Complexity	296
24268	Non-hydrogen_Atom_Count	5
9547222	Exact_Mass	270.161979940
46891563	Total_Formal_Charge	0
13445118	Molecular_Weight	116.16
4514	Exact_Mass	412.1302182
19065710	TPSA	57.5
1434	Isotope_Atom_Count	0
15991574	Hydrogen_Bond_Acceptor_Count	5
56962215	TPSA	29.5
20670051	Hydrogen_Bond_Donor_Count	2
43815	Hydrogen_Bond_Donor_Count	1
18766934	Undefined_Atom_Stereo_Count	2
542352	Exact_Mass	100.088815002
8388	Covalent_Unit_Count	1
6537499	Exact_Mass	616.36113323
64658	Structure_Complexity	387
54580845	TPSA	34.2
905454	Isotope_Atom_Count	0
9870785	Molecular_Weight	505.0
6922967	Exact_Mass	166.123189134
5497143	Molecular_Weight	835.6
156412638	Molecular_Weight	110.12
154803918	Defined_Atom_Stereo_Count	0
13081	Structure_Complexity	263
3000226	Mono_Isotopic_Weight	516.34508925
5301	Rotatable_Bond_Count	4
3034424	Undefined_Bond_Stereo_Count	0
23690943	Hydrogen_Bond_Acceptor_Count	19
7964	Rotatable_Bond_Count	0
13149570	Non-hydrogen_Atom_Count	8
11018809	Molecular_Weight	95.10
5814	TPSA	86.7
71450115	Hydrogen_Bond_Donor_Count	2
56082	XLogP3-AA	3.6
3489	Hydrogen_Bond_Acceptor_Count	6
12186	Structure_Complexity	50.3
10047003	Structure_Complexity	533
55285315	Molecular_Weight	125.13
38972	Undefined_Bond_Stereo_Count	0
47289	Covalent_Unit_Count	1
121493662	Mono_Isotopic_Weight	1663.4923528
71533242	Mono_Isotopic_Weight	466.14751164
2733352	Undefined_Bond_Stereo_Count	0
163050681	Undefined_Atom_Stereo_Count	1
10470290	Defined_Atom_Stereo_Count	0
75989941	Undefined_Atom_Stereo_Count	2
44814409	XLogP3-AA	3.9
87035	Exact_Mass	192.126263138
73943	Mono_Isotopic_Weight	154.02416388
12304613	Structure_Complexity	207
53484567	Non-hydrogen_Atom_Count	8
23678	Structure_Complexity	146
14020430	XLogP3-AA	0.4
13704589	Hydrogen_Bond_Donor_Count	1
23219736	Rotatable_Bond_Count	2
5228468	Total_Formal_Charge	0
10058	Total_Formal_Charge	0
10865248	Undefined_Bond_Stereo_Count	0
147570519	TPSA	3.2
556035	Undefined_Atom_Stereo_Count	2
20056626	Undefined_Atom_Stereo_Count	1
1326	Total_Formal_Charge	0
2794575	Isotope_Atom_Count	0
8069	Defined_Atom_Stereo_Count	0
18387020	Hydrogen_Bond_Donor_Count	0
4075158	Molecular_Weight	227.36
23	Defined_Bond_Stereo_Count	0
96268	Undefined_Bond_Stereo_Count	0
461128	Rotatable_Bond_Count	2
13422580	Mono_Isotopic_Weight	940.42049858
49170	Defined_Bond_Stereo_Count	0
5324	Rotatable_Bond_Count	2
125183302	Rotatable_Bond_Count	13
11979535	Isotope_Atom_Count	0
131414	Mono_Isotopic_Weight	218.094294304
13568501	Non-hydrogen_Atom_Count	8
19868281	Hydrogen_Bond_Donor_Count	2
3034287	Mono_Isotopic_Weight	270.0883534
124149361	Covalent_Unit_Count	1
25608	Isotope_Atom_Count	0
10045495	Molecular_Weight	383.4
6445786	Mono_Isotopic_Weight	326.0952687
7166	Molecular_Weight	162.18
129866077	Hydrogen_Bond_Donor_Count	11
3242895	Exact_Mass	374.22055744
18954572	Isotope_Atom_Count	0
6443803	Undefined_Atom_Stereo_Count	0
70837736	Isotope_Atom_Count	0
4974205	Covalent_Unit_Count	1
20653311	Non-hydrogen_Atom_Count	16
13863534	Defined_Atom_Stereo_Count	0
34338	Isotope_Atom_Count	0
79016	Undefined_Atom_Stereo_Count	1
44358318	Molecular_Weight	450.4
9841863	XLogP3-AA	4.6
17963332	Mono_Isotopic_Weight	541.1204976
5081	Non-hydrogen_Atom_Count	24
60992	Hydrogen_Bond_Acceptor_Count	2
1804	Undefined_Atom_Stereo_Count	0
223866	Hydrogen_Bond_Donor_Count	3
67172	Molecular_Weight	410.5
1486	Defined_Bond_Stereo_Count	0
1123	Undefined_Atom_Stereo_Count	0
19905962	Undefined_Bond_Stereo_Count	0
46907953	Non-hydrogen_Atom_Count	10
93301	Total_Formal_Charge	0
66073187	Molecular_Weight	113.16
7017101	Mono_Isotopic_Weight	124.063662883
154101	Covalent_Unit_Count	1
24825261	Mono_Isotopic_Weight	545.12659777
49765077	Mono_Isotopic_Weight	356.15584919
12892785	Structure_Complexity	101
332389	Total_Formal_Charge	0
2562	Exact_Mass	333.23039385
9908880	Covalent_Unit_Count	1
67473	XLogP3	2.5
229	Non-hydrogen_Atom_Count	10
142034647	Hydrogen_Bond_Acceptor_Count	2
21051076	Defined_Bond_Stereo_Count	0
9823454	Structure_Complexity	692
9460	Exact_Mass	225.126597491
21304401	Total_Formal_Charge	0
7707	Defined_Atom_Stereo_Count	0
136591997	Non-hydrogen_Atom_Count	7
55362	Defined_Bond_Stereo_Count	0
518	Non-hydrogen_Atom_Count	64
11062312	XLogP3-AA	1.1
93009	XLogP3	3.3
13538	Isotope_Atom_Count	0
160435	Hydrogen_Bond_Acceptor_Count	2
6580	Mono_Isotopic_Weight	92.9981414
7522	Exact_Mass	104.037448136
73653998	Undefined_Atom_Stereo_Count	1
5282375	Undefined_Atom_Stereo_Count	0
20056814	Hydrogen_Bond_Donor_Count	1
66494	Total_Formal_Charge	0
139383946	Mono_Isotopic_Weight	112.063662883
66082	Total_Formal_Charge	0
22157549	Hydrogen_Bond_Donor_Count	0
6991	Structure_Complexity	153
86018330	Undefined_Atom_Stereo_Count	0
188219	Hydrogen_Bond_Acceptor_Count	16
138517092	Undefined_Atom_Stereo_Count	0
2734996	Mono_Isotopic_Weight	360.833646
11633344	Molecular_Weight	429.6
11908488	TPSA	190
104865206	Defined_Atom_Stereo_Count	0
729483	Defined_Bond_Stereo_Count	0
91805	TPSA	40.9
3881	Defined_Bond_Stereo_Count	0
79813	Covalent_Unit_Count	1
19693	Total_Formal_Charge	0
10909485	Undefined_Bond_Stereo_Count	0
6450232	Total_Formal_Charge	0
359	Covalent_Unit_Count	1
136889	Defined_Atom_Stereo_Count	0
10145345	Covalent_Unit_Count	1
11496886	Molecular_Weight	493.24
10232719	Undefined_Bond_Stereo_Count	0
102004607	Molecular_Weight	1229.3
148931549	Total_Formal_Charge	0
163284980	Total_Formal_Charge	0
16040270	XLogP3-AA	2.6
138005	Isotope_Atom_Count	0
1785	Molecular_Weight	392.5
99564	Tautomer_Count	1
10442	Undefined_Bond_Stereo_Count	0
87215	Defined_Atom_Stereo_Count	0
164685	Exact_Mass	493.98641756
54480591	Defined_Atom_Stereo_Count	0
69656	Non-hydrogen_Atom_Count	6
25094903	Hydrogen_Bond_Donor_Count	3
5169496	Non-hydrogen_Atom_Count	11
1095	Mono_Isotopic_Weight	254.01915430
20394923	TPSA	46.2
80971	Total_Formal_Charge	0
60156	Molecular_Weight	303.8
12580406	Hydrogen_Bond_Donor_Count	2
11693901	Defined_Bond_Stereo_Count	0
6681	Undefined_Atom_Stereo_Count	0
146356470	Defined_Bond_Stereo_Count	0
447405	TPSA	125
6962	Tautomer_Count	1
156838775	Rotatable_Bond_Count	0
167297	Molecular_Weight	660.7
129712078	Undefined_Atom_Stereo_Count	2
134694008	Rotatable_Bond_Count	14
749823	Defined_Bond_Stereo_Count	0
722799	Exact_Mass	306.09168915
10545	Non-hydrogen_Atom_Count	12
197839	Covalent_Unit_Count	1
522446	Hydrogen_Bond_Acceptor_Count	1
2736527	Tautomer_Count	2
520942	TPSA	9.2
5274271	Undefined_Bond_Stereo_Count	0
517000	Exact_Mass	388.07290741
62946	Undefined_Atom_Stereo_Count	0
61029	Structure_Complexity	366
20549002	Hydrogen_Bond_Donor_Count	0
9939594	TPSA	231
1550213	Isotope_Atom_Count	0
16134490	XLogP3-AA	4.5
20798667	Hydrogen_Bond_Donor_Count	0
5311037	XLogP3-AA	2.5
145994360	Hydrogen_Bond_Acceptor_Count	11
3727	Total_Formal_Charge	0
12905096	Rotatable_Bond_Count	1
10177255	Hydrogen_Bond_Donor_Count	2
24450	Mono_Isotopic_Weight	173.88865848
160692	Mono_Isotopic_Weight	251.094628657
13757963	Covalent_Unit_Count	1
11977152	Defined_Atom_Stereo_Count	0
529281	Structure_Complexity	109
20348168	XLogP3-AA	0.2
3806	TPSA	54.4
70400351	Non-hydrogen_Atom_Count	7
51047	Hydrogen_Bond_Acceptor_Count	3
71946	Hydrogen_Bond_Acceptor_Count	6
12607503	Covalent_Unit_Count	1
86380	Covalent_Unit_Count	1
90687044	Molecular_Weight	109.13
4816	Covalent_Unit_Count	1
130037140	Covalent_Unit_Count	1
687034	XLogP3-AA	3.7
21864086	Undefined_Bond_Stereo_Count	0
3696	Tautomer_Count	9
101944071	Non-hydrogen_Atom_Count	22
17142	Mono_Isotopic_Weight	297.09608521
66000	XLogP3-AA	1.5
71027	TPSA	17.1
42471	Molecular_Weight	382.0
17100	Rotatable_Bond_Count	1
5362376	Undefined_Atom_Stereo_Count	0
43704	TPSA	98.4
565962	Covalent_Unit_Count	1
226102	Undefined_Atom_Stereo_Count	0
15728264	Hydrogen_Bond_Acceptor_Count	4
14764322	Defined_Bond_Stereo_Count	0
87990	Isotope_Atom_Count	0
16217634	Hydrogen_Bond_Acceptor_Count	0
581676	Covalent_Unit_Count	1
11072675	Defined_Bond_Stereo_Count	0
81920	Total_Formal_Charge	0
11159325	Hydrogen_Bond_Acceptor_Count	3
24087	Undefined_Atom_Stereo_Count	0
5365642	Total_Formal_Charge	0
17806836	Defined_Bond_Stereo_Count	0
81217	Tautomer_Count	1
130143669	Non-hydrogen_Atom_Count	8
4320947	Undefined_Atom_Stereo_Count	3
137783	XLogP3-AA	0.5
10307850	Defined_Atom_Stereo_Count	0
22624610	Exact_Mass	94.016712692
6053	Defined_Bond_Stereo_Count	0
89578867	Hydrogen_Bond_Acceptor_Count	2
53262295	Covalent_Unit_Count	2
18781684	Covalent_Unit_Count	1
41881	Undefined_Atom_Stereo_Count	0
12953697	Covalent_Unit_Count	1
5363229	Tautomer_Count	5
13348005	Covalent_Unit_Count	1
549138	Covalent_Unit_Count	1
57394609	Non-hydrogen_Atom_Count	30
69020	Defined_Atom_Stereo_Count	0
91563	Mono_Isotopic_Weight	74.036779430
587348	Defined_Atom_Stereo_Count	0
131125742	Molecular_Weight	95.14
153085381	Covalent_Unit_Count	1
53803945	XLogP3-AA	3
101684738	Total_Formal_Charge	0
58024825	Undefined_Atom_Stereo_Count	0
54144903	Molecular_Weight	101.15
144567671	Exact_Mass	108.093900383
18424759	Hydrogen_Bond_Donor_Count	1
3048339	Rotatable_Bond_Count	0
3037	Rotatable_Bond_Count	2
11469444	Rotatable_Bond_Count	1
2723704	Mono_Isotopic_Weight	90.02516937
6537	Defined_Atom_Stereo_Count	0
12870232	Undefined_Atom_Stereo_Count	0
11712649	Defined_Atom_Stereo_Count	0
15016062	Hydrogen_Bond_Donor_Count	1
56928166	Undefined_Bond_Stereo_Count	0
143562	Covalent_Unit_Count	1
51375035	Covalent_Unit_Count	1
67128499	Total_Formal_Charge	0
5527	Structure_Complexity	464
31298	Total_Formal_Charge	0
82047	Isotope_Atom_Count	0
25196164	Defined_Bond_Stereo_Count	0
90432	Isotope_Atom_Count	0
159678	Molecular_Weight	324.27
12519677	Hydrogen_Bond_Donor_Count	2
49427	Non-hydrogen_Atom_Count	22
73425066	Undefined_Atom_Stereo_Count	0
9862076	Hydrogen_Bond_Acceptor_Count	5
3316	Total_Formal_Charge	0
23080868	Undefined_Bond_Stereo_Count	0
85874	TPSA	44.5
5877292	TPSA	26.3
37873	Non-hydrogen_Atom_Count	6
179344	Defined_Bond_Stereo_Count	0
3336	Covalent_Unit_Count	1
62351	Exact_Mass	147.01764164
91750	Isotope_Atom_Count	0
6437356	Isotope_Atom_Count	0
5362440	Defined_Bond_Stereo_Count	0
3151	Covalent_Unit_Count	1
123904644	Undefined_Atom_Stereo_Count	3
9847241	Undefined_Bond_Stereo_Count	0
13788048	Structure_Complexity	520
883785	Defined_Bond_Stereo_Count	0
10678209	Molecular_Weight	114.14
3605	Molecular_Weight	865.7
28114	XLogP3-AA	0.1
518818	Non-hydrogen_Atom_Count	8
93131	Isotope_Atom_Count	0
38910	TPSA	0
456222	Undefined_Bond_Stereo_Count	0
92333	TPSA	99.4
5281235	Exact_Mass	552.433116406
12510987	Hydrogen_Bond_Acceptor_Count	2
705715	Undefined_Bond_Stereo_Count	0
9874248	Undefined_Bond_Stereo_Count	0
55917	Undefined_Atom_Stereo_Count	0
66783827	Undefined_Atom_Stereo_Count	2
6918545	Covalent_Unit_Count	5
12546498	Hydrogen_Bond_Donor_Count	0
4451502	Mono_Isotopic_Weight	88.016043985
439196	Hydrogen_Bond_Acceptor_Count	4
183797	Structure_Complexity	671
91230338	Isotope_Atom_Count	0
73356082	Rotatable_Bond_Count	118
3085106	Covalent_Unit_Count	2
71970	Hydrogen_Bond_Donor_Count	2
87071867	Undefined_Atom_Stereo_Count	3
10197636	Exact_Mass	100.052429494
89789591	Undefined_Bond_Stereo_Count	0
12353957	Undefined_Atom_Stereo_Count	2
66931399	Defined_Bond_Stereo_Count	0
56020	TPSA	55.6
19738210	Hydrogen_Bond_Donor_Count	1
5284557	Hydrogen_Bond_Acceptor_Count	2
3610	Rotatable_Bond_Count	5
118176200	Defined_Bond_Stereo_Count	0
2803172	Total_Formal_Charge	0
46241268	Total_Formal_Charge	0
58806244	Isotope_Atom_Count	0
129674754	Mono_Isotopic_Weight	219.05315777
15446403	Exact_Mass	96.057514874
27461	Rotatable_Bond_Count	7
67901	Mono_Isotopic_Weight	116.00851382
12358803	Isotope_Atom_Count	0
80618	TPSA	157
65050	Rotatable_Bond_Count	2
18356755	Defined_Atom_Stereo_Count	0
122433	Total_Formal_Charge	0
73513	Isotope_Atom_Count	0
45259044	Hydrogen_Bond_Acceptor_Count	4
3018598	Isotope_Atom_Count	0
62232962	Exact_Mass	112.052429494
9257	Undefined_Bond_Stereo_Count	0
12536263	Covalent_Unit_Count	1
73351	Exact_Mass	278.96496419
31515	Undefined_Bond_Stereo_Count	0
5364901	Defined_Bond_Stereo_Count	0
68938028	TPSA	53
153856780	Undefined_Atom_Stereo_Count	0
15595455	Undefined_Bond_Stereo_Count	0
8306	Defined_Atom_Stereo_Count	0
5564	Mono_Isotopic_Weight	287.951163
139070837	Non-hydrogen_Atom_Count	24
96373	Undefined_Bond_Stereo_Count	0
711656	Total_Formal_Charge	0
11819049	Mono_Isotopic_Weight	100.088815002
154982320	Hydrogen_Bond_Acceptor_Count	1
131839562	Hydrogen_Bond_Acceptor_Count	13
54014222	Covalent_Unit_Count	1
51387014	Rotatable_Bond_Count	7
222536	Hydrogen_Bond_Donor_Count	0
9803963	Defined_Atom_Stereo_Count	0
65920	Tautomer_Count	9
31132	Undefined_Bond_Stereo_Count	0
153772784	Defined_Atom_Stereo_Count	0
44521018	Structure_Complexity	427
3668	XLogP3-AA	0.9
10560336	Mono_Isotopic_Weight	173.107873423
4043	Molecular_Weight	344.5
53665290	Exact_Mass	108.043596145
91770	Defined_Bond_Stereo_Count	0
6337614	Non-hydrogen_Atom_Count	22
14683451	Mono_Isotopic_Weight	100.063662883
97627066	Covalent_Unit_Count	1
7561	Rotatable_Bond_Count	3
25010556	Non-hydrogen_Atom_Count	26
6877	Defined_Atom_Stereo_Count	0
5702238	Hydrogen_Bond_Acceptor_Count	3
98771	Hydrogen_Bond_Acceptor_Count	4
56973549	TPSA	114
21492268	Defined_Atom_Stereo_Count	0
101525	Total_Formal_Charge	0
6092	Non-hydrogen_Atom_Count	14
167451	TPSA	27.8
6918204	Hydrogen_Bond_Donor_Count	14
61141	Undefined_Bond_Stereo_Count	0
55290981	Structure_Complexity	121
95416	Structure_Complexity	312
321054	Defined_Bond_Stereo_Count	0
73415830	Molecular_Weight	360.56
75057	Total_Formal_Charge	1
12836334	Non-hydrogen_Atom_Count	8
8386	Undefined_Bond_Stereo_Count	0
5360696	Molecular_Weight	271.4
22308	Structure_Complexity	404
16399	Hydrogen_Bond_Acceptor_Count	1
4875	Hydrogen_Bond_Acceptor_Count	1
76344	Total_Formal_Charge	0
22591	Defined_Bond_Stereo_Count	0
16210995	TPSA	74.4
2909	Total_Formal_Charge	0
43389	Structure_Complexity	63.5
129859073	Defined_Bond_Stereo_Count	0
6539005	Hydrogen_Bond_Acceptor_Count	7
45238	TPSA	29.5
21187633	Isotope_Atom_Count	0
61832	Isotope_Atom_Count	0
36613	TPSA	18.5
129722163	TPSA	127
4496	Hydrogen_Bond_Acceptor_Count	4
14717865	Undefined_Bond_Stereo_Count	0
91867648	Molecular_Weight	13.005739
62369	Non-hydrogen_Atom_Count	20
233706	Defined_Atom_Stereo_Count	2
75982	Structure_Complexity	28.9
15681692	Covalent_Unit_Count	1
24884255	Non-hydrogen_Atom_Count	22
7896	Undefined_Atom_Stereo_Count	1
134693629	Defined_Bond_Stereo_Count	0
49838879	Hydrogen_Bond_Acceptor_Count	7
42645248	Defined_Bond_Stereo_Count	0
68009306	Total_Formal_Charge	0
44229138	Structure_Complexity	317
135539121	Total_Formal_Charge	0
73759973	Molecular_Weight	544.5
7582	Undefined_Bond_Stereo_Count	0
22843	Defined_Bond_Stereo_Count	0
82505	Defined_Atom_Stereo_Count	0
162247	Mono_Isotopic_Weight	116.131348519
168447	Structure_Complexity	116
10282517	Exact_Mass	615.18616351
37137	Isotope_Atom_Count	0
133169	Isotope_Atom_Count	0
7853	Isotope_Atom_Count	0
14842942	Undefined_Atom_Stereo_Count	0
415984	TPSA	52.6
5318	Non-hydrogen_Atom_Count	24
9862	Rotatable_Bond_Count	3
883785	Isotope_Atom_Count	0
557579	Undefined_Bond_Stereo_Count	0
10236037	Molecular_Weight	173.25
156816292	Non-hydrogen_Atom_Count	8
131750205	Exact_Mass	1103.80140071
12412266	Undefined_Bond_Stereo_Count	0
41990	Undefined_Bond_Stereo_Count	0
3032296	Undefined_Atom_Stereo_Count	0
7261	XLogP3	0.1
123178351	Rotatable_Bond_Count	3
14120372	Molecular_Weight	120.15
93740	Non-hydrogen_Atom_Count	21
15394	Undefined_Atom_Stereo_Count	0
9554809	Undefined_Atom_Stereo_Count	0
282471	Undefined_Bond_Stereo_Count	0
13163973	Structure_Complexity	88.5
3420996	XLogP3-AA	3.9
18290	TPSA	41.6
163701	Covalent_Unit_Count	2
86811257	Structure_Complexity	110
18139	Undefined_Bond_Stereo_Count	0
12504793	TPSA	20.2
14181658	Mono_Isotopic_Weight	487.22782765
1550887	Molecular_Weight	264.3
53869158	Undefined_Atom_Stereo_Count	0
1488444	Structure_Complexity	519
314582	Defined_Atom_Stereo_Count	0
3041260	Molecular_Weight	350.5
11149862	Defined_Atom_Stereo_Count	0
12315	Covalent_Unit_Count	1
251504	Exact_Mass	113.047678466
10040	Defined_Atom_Stereo_Count	0
11454753	Hydrogen_Bond_Acceptor_Count	6
134694302	Defined_Bond_Stereo_Count	0
78073889	Non-hydrogen_Atom_Count	88
9518	Hydrogen_Bond_Donor_Count	0
151193	Mono_Isotopic_Weight	464.1251329
5702609	Undefined_Bond_Stereo_Count	0
54260	Hydrogen_Bond_Acceptor_Count	2
104416	Undefined_Bond_Stereo_Count	0
6538995	TPSA	82.5
23352408	Structure_Complexity	96.6
3086172	Molecular_Weight	416.3
4260	Hydrogen_Bond_Acceptor_Count	4
25171662	TPSA	117
71518	Exact_Mass	441.08009
150736	Undefined_Bond_Stereo_Count	0
3330	Defined_Atom_Stereo_Count	0
441558	Structure_Complexity	147
7702	Exact_Mass	150.104465066
17995818	Undefined_Atom_Stereo_Count	0
76961009	Isotope_Atom_Count	0
628949	Tautomer_Count	3
3037233	Non-hydrogen_Atom_Count	32
54120934	Isotope_Atom_Count	0
9954082	Tautomer_Count	2
3453	Defined_Atom_Stereo_Count	0
45923684	Exact_Mass	112.074896272
5599	Non-hydrogen_Atom_Count	15
17921988	Undefined_Atom_Stereo_Count	1
123298319	Non-hydrogen_Atom_Count	7
147226284	Non-hydrogen_Atom_Count	8
23520950	Non-hydrogen_Atom_Count	8
593919	TPSA	50.2
11670	Covalent_Unit_Count	1
44338969	Total_Formal_Charge	0
140682152	Rotatable_Bond_Count	6
58221870	Isotope_Atom_Count	0
92154	Rotatable_Bond_Count	1
9931954	Rotatable_Bond_Count	3
705145	Molecular_Weight	349.4
182339	Hydrogen_Bond_Donor_Count	1
46936560	TPSA	44.4
8363	Mono_Isotopic_Weight	228.078644241
8502	Molecular_Weight	185.56
2284259	Defined_Bond_Stereo_Count	0
31348	Hydrogen_Bond_Acceptor_Count	7
123609380	Defined_Atom_Stereo_Count	0
16667743	Undefined_Atom_Stereo_Count	0
139906410	Covalent_Unit_Count	1
135484549	TPSA	184
17525	Rotatable_Bond_Count	8
101348253	Exact_Mass	192.126263138
12339648	Covalent_Unit_Count	1
46173707	Hydrogen_Bond_Donor_Count	11
5771	Defined_Bond_Stereo_Count	0
53835276	Covalent_Unit_Count	1
165491	Molecular_Weight	665.4
11081093	Non-hydrogen_Atom_Count	33
11742	Isotope_Atom_Count	0
54739	Tautomer_Count	3
58024825	Structure_Complexity	705
6957673	Molecular_Weight	404.4
5830	Rotatable_Bond_Count	3
59296066	Molecular_Weight	487.9
48104	Structure_Complexity	276
75258	Hydrogen_Bond_Acceptor_Count	10
20662793	Hydrogen_Bond_Acceptor_Count	1
22608833	Defined_Bond_Stereo_Count	0
73820465	Mono_Isotopic_Weight	482.15768240
10176115	Defined_Bond_Stereo_Count	0
636367	Mono_Isotopic_Weight	193.05863707
535857	TPSA	46
10200589	Molecular_Weight	393.4
77160509	Mono_Isotopic_Weight	85.089149355
11059434	Rotatable_Bond_Count	5
118797622	Non-hydrogen_Atom_Count	12
61534	Mono_Isotopic_Weight	91.940821
2734233	Isotope_Atom_Count	0
656777	Undefined_Atom_Stereo_Count	0
34359	Rotatable_Bond_Count	4
61309780	Isotope_Atom_Count	0
66124	Defined_Atom_Stereo_Count	1
71587831	Undefined_Bond_Stereo_Count	0
5487426	Undefined_Atom_Stereo_Count	0
2955894	XLogP3-AA	3.6
102242605	Undefined_Atom_Stereo_Count	0
2778	Undefined_Atom_Stereo_Count	17
587322	Hydrogen_Bond_Donor_Count	0
10241	Structure_Complexity	222
126968951	Undefined_Atom_Stereo_Count	1
132277953	Isotope_Atom_Count	0
8640	Undefined_Bond_Stereo_Count	0
68651	Non-hydrogen_Atom_Count	19
154825540	Hydrogen_Bond_Donor_Count	3
11091168	Defined_Bond_Stereo_Count	0
15109863	Hydrogen_Bond_Acceptor_Count	1
529264	Covalent_Unit_Count	1
3032536	Covalent_Unit_Count	3
439691	Exact_Mass	103.063328530
24839546	Total_Formal_Charge	0
51030984	XLogP3-AA	2
19352565	Defined_Bond_Stereo_Count	0
1202	Covalent_Unit_Count	1
25072736	Defined_Bond_Stereo_Count	0
49831411	Molecular_Weight	660.7
6722	Total_Formal_Charge	0
23985	Defined_Atom_Stereo_Count	0
3267	Defined_Atom_Stereo_Count	0
99378	TPSA	29.5
135528917	Exact_Mass	444.16966468
5486198	Covalent_Unit_Count	1
14444485	Hydrogen_Bond_Acceptor_Count	7
20713453	Structure_Complexity	118
49853406	Undefined_Bond_Stereo_Count	0
20140931	Isotope_Atom_Count	0
16722126	Defined_Bond_Stereo_Count	0
91754427	Covalent_Unit_Count	4
541660	Covalent_Unit_Count	1
123969077	Structure_Complexity	90.6
25419	Undefined_Atom_Stereo_Count	0
101082	Defined_Bond_Stereo_Count	0
10138259	Isotope_Atom_Count	0
23695767	Covalent_Unit_Count	2
6918457	Hydrogen_Bond_Acceptor_Count	7
228131	Non-hydrogen_Atom_Count	12
6059187	Hydrogen_Bond_Acceptor_Count	3
33845	Defined_Bond_Stereo_Count	0
2795	TPSA	23.5
18442764	Total_Formal_Charge	0
8924	Exact_Mass	215.236147938
16120	Total_Formal_Charge	0
67329	Hydrogen_Bond_Acceptor_Count	6
4875	Molecular_Weight	166.0028
72200930	Defined_Bond_Stereo_Count	0
108352	Undefined_Bond_Stereo_Count	0
439544	Rotatable_Bond_Count	6
163900	Defined_Atom_Stereo_Count	0
6540262	Hydrogen_Bond_Acceptor_Count	2
118723025	Rotatable_Bond_Count	6
141772581	Hydrogen_Bond_Acceptor_Count	1
53867497	Molecular_Weight	261.10
834519	Isotope_Atom_Count	0
22349965	Covalent_Unit_Count	1
7043897	Structure_Complexity	151
2846	Non-hydrogen_Atom_Count	48
9930048	Defined_Atom_Stereo_Count	3
4730	Undefined_Atom_Stereo_Count	3
10877051	Covalent_Unit_Count	1
582708	Defined_Bond_Stereo_Count	0
24900749	Undefined_Atom_Stereo_Count	0
31398	Hydrogen_Bond_Donor_Count	0
443067	Tautomer_Count	4
73603	Undefined_Atom_Stereo_Count	1
28615	Defined_Atom_Stereo_Count	0
118574	Covalent_Unit_Count	1
3795601	Defined_Atom_Stereo_Count	0
5280795	Defined_Bond_Stereo_Count	2
14805639	XLogP3-AA	1.6
11604	Mono_Isotopic_Weight	81.057849228
184644	Defined_Atom_Stereo_Count	12
68323	Hydrogen_Bond_Acceptor_Count	1
146157736	XLogP3-AA	0.6
21973769	Isotope_Atom_Count	0
8030	Covalent_Unit_Count	1
8759	Exact_Mass	336.05455397
4191617	XLogP3	2.1
6918026	TPSA	401
90488724	Mono_Isotopic_Weight	1671.90967533
70002683	Undefined_Bond_Stereo_Count	0
19143	XLogP3	2.6
1549097	Undefined_Atom_Stereo_Count	0
95713	TPSA	26.8
841083	Mono_Isotopic_Weight	250.0509053
46943432	Hydrogen_Bond_Acceptor_Count	5
2431	Hydrogen_Bond_Donor_Count	0
15273916	TPSA	21.6
3604	Mono_Isotopic_Weight	202.240898965
135554980	Hydrogen_Bond_Acceptor_Count	4
71380	TPSA	0
13177193	Undefined_Bond_Stereo_Count	0
15066029	TPSA	18.5
53683458	Covalent_Unit_Count	1
398635	Mono_Isotopic_Weight	361.0730377
19734140	Defined_Atom_Stereo_Count	0
73415830	Defined_Bond_Stereo_Count	0
9908927	Mono_Isotopic_Weight	396.77711
21874242	Structure_Complexity	1720
4873	Hydrogen_Bond_Donor_Count	0
9227	Defined_Bond_Stereo_Count	0
10250	Structure_Complexity	230
68478	Hydrogen_Bond_Acceptor_Count	2
475341	Hydrogen_Bond_Acceptor_Count	3
178787	Hydrogen_Bond_Acceptor_Count	6
5288631	Undefined_Atom_Stereo_Count	0
159326	Structure_Complexity	516
417875	Molecular_Weight	112.09
5311505	Molecular_Weight	449.6
557816	Mono_Isotopic_Weight	112.052429494
2723790	Molecular_Weight	76.12
136730	Mono_Isotopic_Weight	110.048012819
24916897	Mono_Isotopic_Weight	508.24160744
12015095	Hydrogen_Bond_Donor_Count	0
3089	Defined_Atom_Stereo_Count	0
13382623	Covalent_Unit_Count	1
23689980	Molecular_Weight	118.09
3052762	Undefined_Atom_Stereo_Count	0
10407447	Hydrogen_Bond_Acceptor_Count	1
139593469	Hydrogen_Bond_Acceptor_Count	20
702695	Defined_Bond_Stereo_Count	1
53484518	Covalent_Unit_Count	1
14671256	Rotatable_Bond_Count	4
14013	Mono_Isotopic_Weight	79.026943022
134688091	Exact_Mass	446.26683893
15842092	Isotope_Atom_Count	0
17455	TPSA	74.6
40826	Hydrogen_Bond_Acceptor_Count	4
12248	Non-hydrogen_Atom_Count	6
23269081	TPSA	0
6862	Exact_Mass	186.068079557
868031	Total_Formal_Charge	0
75548	Molecular_Weight	130.19
17235	Defined_Atom_Stereo_Count	0
984396	Structure_Complexity	598
5284382	Undefined_Atom_Stereo_Count	0
62878	Isotope_Atom_Count	0
117933221	Rotatable_Bond_Count	0
11396600	Isotope_Atom_Count	0
18510	Mono_Isotopic_Weight	226.193280068
98615047	Hydrogen_Bond_Donor_Count	0
18542107	Covalent_Unit_Count	1
9818479	Total_Formal_Charge	0
3383476	Hydrogen_Bond_Acceptor_Count	12
73082918	Total_Formal_Charge	0
107640	Molecular_Weight	682.8
6420039	Mono_Isotopic_Weight	315.1601214
162172	Non-hydrogen_Atom_Count	20
59966656	Rotatable_Bond_Count	6
92764	TPSA	0
169682	TPSA	94.6
60839	Structure_Complexity	406
56520	Hydrogen_Bond_Acceptor_Count	3
23335676	Tautomer_Count	3
8	Undefined_Atom_Stereo_Count	2
6453994	TPSA	29.1
636345	Exact_Mass	880.1479789
23677829	Defined_Atom_Stereo_Count	0
18941761	Total_Formal_Charge	0
55289472	Non-hydrogen_Atom_Count	7
10276962	XLogP3-AA	4.3
487101	Non-hydrogen_Atom_Count	30
4983738	Undefined_Bond_Stereo_Count	0
13095	Defined_Bond_Stereo_Count	0
72022	Defined_Bond_Stereo_Count	0
5354499	Hydrogen_Bond_Donor_Count	0
6211	Defined_Bond_Stereo_Count	0
139283	Mono_Isotopic_Weight	65.97882412
9874874	Exact_Mass	697.38259695
8642	Non-hydrogen_Atom_Count	21
17778639	Isotope_Atom_Count	0
89908	Total_Formal_Charge	0
135527764	Hydrogen_Bond_Acceptor_Count	4
56672299	Total_Formal_Charge	0
20392120	Defined_Atom_Stereo_Count	0
44563111	Structure_Complexity	484
90864	Covalent_Unit_Count	1
56972160	Total_Formal_Charge	0
26248	TPSA	124
5282367	Undefined_Atom_Stereo_Count	0
181978	Undefined_Bond_Stereo_Count	0
129846269	Molecular_Weight	368.3
136729	XLogP3-AA	3.8
21225563	Isotope_Atom_Count	0
236114	Undefined_Atom_Stereo_Count	2
71517528	Covalent_Unit_Count	1
10146470	Tautomer_Count	2
70545463	Defined_Atom_Stereo_Count	0
1738	Rotatable_Bond_Count	3
6431301	Hydrogen_Bond_Acceptor_Count	2
88481085	Mono_Isotopic_Weight	424.37925923
19828862	Undefined_Atom_Stereo_Count	0
23010495	Mono_Isotopic_Weight	284.16237386
82291	Molecular_Weight	93.55
11137118	Molecular_Weight	109.13
1957	Molecular_Weight	381.5
73441	Non-hydrogen_Atom_Count	35
21401558	Covalent_Unit_Count	1
25191022	Non-hydrogen_Atom_Count	36
192004	Covalent_Unit_Count	3
153974	Hydrogen_Bond_Acceptor_Count	5
46911956	Total_Formal_Charge	0
2830832	TPSA	116
104764	Isotope_Atom_Count	0
86100	Hydrogen_Bond_Acceptor_Count	8
13032471	Covalent_Unit_Count	1
149229	Defined_Bond_Stereo_Count	0
19757680	TPSA	94.8
109014	Defined_Atom_Stereo_Count	0
6918483	Hydrogen_Bond_Acceptor_Count	5
91649	Tautomer_Count	2
9884817	Undefined_Bond_Stereo_Count	0
101059324	XLogP3-AA	6.1
5280793	Molecular_Weight	396.6
141543352	XLogP3-AA	1.1
15586	Tautomer_Count	1
141697522	TPSA	110
140334	Non-hydrogen_Atom_Count	14
9808235	Tautomer_Count	1
151419	Undefined_Atom_Stereo_Count	0
130150414	Molecular_Weight	118.09
20194	Structure_Complexity	494
7443	Undefined_Bond_Stereo_Count	0
19828393	XLogP3-AA	0.9
5283377	Structure_Complexity	204
86088629	Hydrogen_Bond_Donor_Count	0
123892631	TPSA	37.3
16	Hydrogen_Bond_Donor_Count	2
11670	XLogP3-AA	1.5
9650	Undefined_Bond_Stereo_Count	0
16694	Molecular_Weight	132.20
122174048	Structure_Complexity	1010
3973230	Defined_Bond_Stereo_Count	0
41872	Rotatable_Bond_Count	2
14843	Structure_Complexity	502
26197	Undefined_Bond_Stereo_Count	0
115017	Exact_Mass	152.062600255
82202	Exact_Mass	115.97544247
55285775	Defined_Atom_Stereo_Count	0
72462	Hydrogen_Bond_Acceptor_Count	6
125042028	Hydrogen_Bond_Acceptor_Count	1
3337411	Defined_Atom_Stereo_Count	0
9898619	XLogP3-AA	0.6
969108	Hydrogen_Bond_Acceptor_Count	3
6560	Undefined_Bond_Stereo_Count	0
7274	Defined_Atom_Stereo_Count	0
4244	Rotatable_Bond_Count	9
12433	Defined_Atom_Stereo_Count	0
123462301	Covalent_Unit_Count	1
83156	XLogP3-AA	0.2
47714	Isotope_Atom_Count	0
156412638	Hydrogen_Bond_Donor_Count	1
1834	Defined_Atom_Stereo_Count	0
580566	Molecular_Weight	140.26
12753	Structure_Complexity	50
656604	Mono_Isotopic_Weight	223.03368562
102233553	Covalent_Unit_Count	1
76191	Non-hydrogen_Atom_Count	11
86062	Isotope_Atom_Count	0
666673	Defined_Bond_Stereo_Count	0
20654321	Undefined_Bond_Stereo_Count	0
9263	Structure_Complexity	26.5
839431	Hydrogen_Bond_Donor_Count	2
10029385	Structure_Complexity	1030
51622	Total_Formal_Charge	0
121249	Defined_Bond_Stereo_Count	0
25138203	Mono_Isotopic_Weight	354.11504700
85689	Total_Formal_Charge	0
115234	Hydrogen_Bond_Donor_Count	1
66545764	Structure_Complexity	880
38316	Molecular_Weight	191.23
332226	Undefined_Atom_Stereo_Count	0
24762228	Undefined_Bond_Stereo_Count	0
58391580	Exact_Mass	315.19467705
64212	Covalent_Unit_Count	1
3317081	Undefined_Bond_Stereo_Count	0
69537	Isotope_Atom_Count	0
17019	Molecular_Weight	271.15
3192	Defined_Bond_Stereo_Count	0
193653	Total_Formal_Charge	0
197	Undefined_Atom_Stereo_Count	4
10930422	Total_Formal_Charge	0
616631	Exact_Mass	235.12084340
70715	Total_Formal_Charge	0
6433588	TPSA	89.8
5328017	Total_Formal_Charge	0
1483	Undefined_Bond_Stereo_Count	0
6433513	Covalent_Unit_Count	3
129629095	Total_Formal_Charge	0
6957673	XLogP3-AA	3.3
82727	Molecular_Weight	102.18
90472752	Exact_Mass	181.06674293
3033988	Undefined_Atom_Stereo_Count	0
24848260	Hydrogen_Bond_Acceptor_Count	2
24825271	Hydrogen_Bond_Donor_Count	1
34885	Hydrogen_Bond_Donor_Count	0
108054	Hydrogen_Bond_Acceptor_Count	1
135414248	Defined_Atom_Stereo_Count	0
53896476	Hydrogen_Bond_Acceptor_Count	1
70314955	Exact_Mass	112.027277375
18016	Isotope_Atom_Count	0
12819963	Hydrogen_Bond_Acceptor_Count	1
195	Isotope_Atom_Count	0
55624	Structure_Complexity	581
17945614	Undefined_Bond_Stereo_Count	0
8012	Molecular_Weight	90.19
16052011	Molecular_Weight	1329.5
205586	Covalent_Unit_Count	1
135391144	Defined_Atom_Stereo_Count	20
14805	Total_Formal_Charge	0
52949465	Undefined_Atom_Stereo_Count	0
9934492	Covalent_Unit_Count	2
9798	Rotatable_Bond_Count	0
71094775	Mono_Isotopic_Weight	342.11621151
8390	Isotope_Atom_Count	0
6475274	Isotope_Atom_Count	0
126969212	Covalent_Unit_Count	1
69787	Undefined_Atom_Stereo_Count	0
446947	Molecular_Weight	216.08
5148195	Total_Formal_Charge	0
545093	Rotatable_Bond_Count	1
34377	Tautomer_Count	2
151039	Mono_Isotopic_Weight	100.088815002
54708299	Undefined_Atom_Stereo_Count	2
140732872	Defined_Bond_Stereo_Count	0
85057	Molecular_Weight	452.4
12472	Defined_Bond_Stereo_Count	0
123448160	Defined_Atom_Stereo_Count	0
593843	Hydrogen_Bond_Acceptor_Count	3
18369938	Hydrogen_Bond_Acceptor_Count	3
512138	Hydrogen_Bond_Donor_Count	3
142403638	Rotatable_Bond_Count	1
39066	XLogP3-AA	5.2
9548637	Structure_Complexity	496
12870	Covalent_Unit_Count	1
75614	Isotope_Atom_Count	0
23678979	TPSA	40.1
5283393	Molecular_Weight	303.5
13159	Rotatable_Bond_Count	2
616236	Defined_Atom_Stereo_Count	0
4253	Molecular_Weight	285.34
8698	Non-hydrogen_Atom_Count	13
57586319	Undefined_Bond_Stereo_Count	0
13628993	Hydrogen_Bond_Acceptor_Count	2
527559	Total_Formal_Charge	0
70447162	Hydrogen_Bond_Donor_Count	0
235713	Isotope_Atom_Count	0
3085401	XLogP3	3.1
5478933	Mono_Isotopic_Weight	473.26381923
38666	Molecular_Weight	370.1
10898648	Mono_Isotopic_Weight	97.052763847
5232201	Molecular_Weight	110.14
1189	Hydrogen_Bond_Donor_Count	5
61059	Mono_Isotopic_Weight	210.00205114
16220118	Non-hydrogen_Atom_Count	21
535623	Rotatable_Bond_Count	0
223866	Mono_Isotopic_Weight	408.20490738
68712	Exact_Mass	180.126263138
543096	Rotatable_Bond_Count	1
39272	Undefined_Bond_Stereo_Count	0
94021	Mono_Isotopic_Weight	212.14124450
23680486	Rotatable_Bond_Count	7
68072	Hydrogen_Bond_Acceptor_Count	4
21028424	Defined_Atom_Stereo_Count	0
9387	Non-hydrogen_Atom_Count	26
22811	Hydrogen_Bond_Acceptor_Count	2
72199432	Mono_Isotopic_Weight	581.27976659
70678590	Molecular_Weight	1355.4
57265913	Undefined_Atom_Stereo_Count	2
30997	Total_Formal_Charge	0
67641738	Mono_Isotopic_Weight	180.06338810
13658	Defined_Atom_Stereo_Count	0
91490	Defined_Bond_Stereo_Count	0
54331	Hydrogen_Bond_Acceptor_Count	7
20132002	Hydrogen_Bond_Donor_Count	1
9823887	Rotatable_Bond_Count	7
433294	Total_Formal_Charge	0
67849	Isotope_Atom_Count	0
6444037	Rotatable_Bond_Count	22
94154	Undefined_Atom_Stereo_Count	0
6702	Mono_Isotopic_Weight	237.078978594
137719	Rotatable_Bond_Count	2
3480590	Defined_Bond_Stereo_Count	0
19159	Defined_Atom_Stereo_Count	0
70374	Non-hydrogen_Atom_Count	16
101010	Exact_Mass	160.09218630
5708528	Non-hydrogen_Atom_Count	10
82129	Covalent_Unit_Count	1
657308	Rotatable_Bond_Count	6
131167766	Hydrogen_Bond_Donor_Count	0
5460183	Mono_Isotopic_Weight	1328.564325
21703153	Hydrogen_Bond_Donor_Count	1
12636118	Defined_Bond_Stereo_Count	0
69986	Defined_Bond_Stereo_Count	0
41245	Mono_Isotopic_Weight	318.230728204
9723	Hydrogen_Bond_Donor_Count	2
147193	Molecular_Weight	199.04
3180466	Defined_Atom_Stereo_Count	0
23675747	Structure_Complexity	454
16710	Rotatable_Bond_Count	7
137704662	Undefined_Bond_Stereo_Count	0
32607	Hydrogen_Bond_Donor_Count	1
6279	Mono_Isotopic_Weight	386.24570956
13408391	Structure_Complexity	314
12383043	Defined_Atom_Stereo_Count	0
229075	Exact_Mass	110.059246208
18924154	Covalent_Unit_Count	1
123650722	Defined_Atom_Stereo_Count	12
23677960	Total_Formal_Charge	0
40390	Covalent_Unit_Count	2
91805	XLogP3-AA	1.7
134692352	Exact_Mass	453.22637110
29373	TPSA	37.3
11565240	Molecular_Weight	268.31
46202081	Defined_Bond_Stereo_Count	0
64805	Hydrogen_Bond_Acceptor_Count	3
97983	Mono_Isotopic_Weight	82.041864811
471360	Non-hydrogen_Atom_Count	13
44567678	Exact_Mass	1814.6085580
347590	XLogP3	2.4
5289158	Covalent_Unit_Count	1
5201	Defined_Atom_Stereo_Count	0
97617	Undefined_Atom_Stereo_Count	0
6946312	Non-hydrogen_Atom_Count	10
23235	Tautomer_Count	1
9830615	Structure_Complexity	1060
6213	Exact_Mass	94.00885060
436497	Hydrogen_Bond_Acceptor_Count	3
21106	Undefined_Atom_Stereo_Count	1
6387	Isotope_Atom_Count	0
107994	Undefined_Atom_Stereo_Count	0
239377	TPSA	29.5
93154	Structure_Complexity	390
10269854	TPSA	107
13401998	Hydrogen_Bond_Donor_Count	1
11815284	Defined_Atom_Stereo_Count	0
168088	Hydrogen_Bond_Donor_Count	1
12559	Hydrogen_Bond_Acceptor_Count	16
62656	Mono_Isotopic_Weight	125.90349
701621	Mono_Isotopic_Weight	329.08634960
44241626	Molecular_Weight	499.9
5352428	Undefined_Bond_Stereo_Count	0
135480785	Hydrogen_Bond_Donor_Count	7
96462	Rotatable_Bond_Count	9
5280880	Covalent_Unit_Count	1
252139	TPSA	48.8
11423566	Defined_Bond_Stereo_Count	0
65780	Defined_Atom_Stereo_Count	0
5483631	Non-hydrogen_Atom_Count	1
2779183	Isotope_Atom_Count	0
73442840	Total_Formal_Charge	0
84658	TPSA	28.7
104904	Non-hydrogen_Atom_Count	14
23158703	Exact_Mass	387.15426879
447360	XLogP3-AA	2.1
157455	Isotope_Atom_Count	0
17185	Rotatable_Bond_Count	7
21865526	Mono_Isotopic_Weight	414.20423867
887830	Rotatable_Bond_Count	3
4639	Defined_Atom_Stereo_Count	0
6378649	Undefined_Bond_Stereo_Count	0
62495	Mono_Isotopic_Weight	325.16779360
20673	Covalent_Unit_Count	2
70848	Undefined_Atom_Stereo_Count	0
140789	Defined_Atom_Stereo_Count	0
13728301	Undefined_Atom_Stereo_Count	2
841083	Total_Formal_Charge	0
780	Rotatable_Bond_Count	2
66254	Rotatable_Bond_Count	4
6989	Non-hydrogen_Atom_Count	11
522731	Undefined_Bond_Stereo_Count	1
137699188	Total_Formal_Charge	0
18601660	Hydrogen_Bond_Donor_Count	5
7447	Hydrogen_Bond_Acceptor_Count	4
445455	Undefined_Atom_Stereo_Count	0
1033	Rotatable_Bond_Count	21
15604015	Defined_Atom_Stereo_Count	0
19883347	Defined_Bond_Stereo_Count	0
164282	Isotope_Atom_Count	0
12423177	TPSA	33
5003	Defined_Atom_Stereo_Count	0
25246274	Covalent_Unit_Count	1
122308	Defined_Atom_Stereo_Count	0
164135990	Total_Formal_Charge	0
3293	Hydrogen_Bond_Donor_Count	1
1712087	XLogP3-AA	2.9
10890	Structure_Complexity	99.7
439196	Mono_Isotopic_Weight	154.01222190
53632493	Undefined_Atom_Stereo_Count	2
7870	XLogP3-AA	0.3
257950	Mono_Isotopic_Weight	162.068079557
12873460	Tautomer_Count	28
84072504	Defined_Atom_Stereo_Count	0
9420	Defined_Bond_Stereo_Count	0
86305	Covalent_Unit_Count	1
38855	Defined_Atom_Stereo_Count	0
22269415	Rotatable_Bond_Count	0
65240	Molecular_Weight	569.6
11231942	Hydrogen_Bond_Acceptor_Count	2
7910	Isotope_Atom_Count	0
4369413	Hydrogen_Bond_Donor_Count	1
20259182	Isotope_Atom_Count	0
180624	Defined_Bond_Stereo_Count	0
11676981	Defined_Bond_Stereo_Count	0
26560	XLogP3-AA	4.1
517859	Molecular_Weight	110.15
4423	Mono_Isotopic_Weight	311.15214353
157727	Undefined_Atom_Stereo_Count	0
5375785	Hydrogen_Bond_Donor_Count	0
77875900	TPSA	55.1
546259	Hydrogen_Bond_Acceptor_Count	1
60149	Covalent_Unit_Count	1
18541939	Tautomer_Count	9
136582	Exact_Mass	100.088815002
6917681	Hydrogen_Bond_Donor_Count	3
159952	Covalent_Unit_Count	2
49869172	Exact_Mass	404.22122615
20033044	Defined_Bond_Stereo_Count	0
129752646	Rotatable_Bond_Count	12
156963344	Covalent_Unit_Count	1
5288674	Undefined_Bond_Stereo_Count	0
53477781	Molecular_Weight	368.5
78137800	Hydrogen_Bond_Acceptor_Count	2
6478	Molecular_Weight	272.8
264090	TPSA	51.8
90472388	Covalent_Unit_Count	2
53316385	Mono_Isotopic_Weight	603.1691619
146027509	Molecular_Weight	527.5
41384	Undefined_Atom_Stereo_Count	0
131966764	Isotope_Atom_Count	0
22135	Defined_Bond_Stereo_Count	0
144021791	Non-hydrogen_Atom_Count	8
46780884	Molecular_Weight	562.5
441451	Total_Formal_Charge	0
84363	Undefined_Atom_Stereo_Count	0
14691612	Total_Formal_Charge	0
105746	Total_Formal_Charge	0
1139	Molecular_Weight	322.21
19032309	Hydrogen_Bond_Donor_Count	2
71249967	Covalent_Unit_Count	1
65659	Total_Formal_Charge	0
9964065	Tautomer_Count	2
21133161	Structure_Complexity	261
8581	Mono_Isotopic_Weight	665.15868546
403803	Structure_Complexity	1040
7118	Total_Formal_Charge	0
14885960	Hydrogen_Bond_Acceptor_Count	6
36933	Hydrogen_Bond_Donor_Count	1
60148380	Defined_Bond_Stereo_Count	0
594832	Defined_Bond_Stereo_Count	0
76735	TPSA	139
13710589	Exact_Mass	78.01393598
5280343	Total_Formal_Charge	0
5359327	Undefined_Bond_Stereo_Count	0
10298	Defined_Atom_Stereo_Count	0
6947362	Covalent_Unit_Count	1
14342	Mono_Isotopic_Weight	343.918158
20693488	XLogP3-AA	0.6
535824	Covalent_Unit_Count	1
4110039	Non-hydrogen_Atom_Count	8
58595959	Defined_Bond_Stereo_Count	0
3041256	Hydrogen_Bond_Donor_Count	1
6274	Total_Formal_Charge	0
155903755	Non-hydrogen_Atom_Count	128
1069	Total_Formal_Charge	0
140920	TPSA	53.2
2973198	Hydrogen_Bond_Acceptor_Count	4
14074	Exact_Mass	87.068413911
69672	Defined_Bond_Stereo_Count	0
44629601	Defined_Atom_Stereo_Count	2
8038	Hydrogen_Bond_Acceptor_Count	2
123249	Hydrogen_Bond_Donor_Count	0
5402	Isotope_Atom_Count	0
3482	Mono_Isotopic_Weight	193.05863707
3716971	Exact_Mass	88.98748351
225612	TPSA	98
69488026	TPSA	43.3
69819	Covalent_Unit_Count	1
13042689	Isotope_Atom_Count	0
100165	Rotatable_Bond_Count	0
11228775	Molecular_Weight	111.14
656917	Defined_Bond_Stereo_Count	0
87612217	Undefined_Bond_Stereo_Count	0
139088888	Undefined_Atom_Stereo_Count	0
70258	Rotatable_Bond_Count	0
3246	Hydrogen_Bond_Acceptor_Count	2
7652	Total_Formal_Charge	0
11186829	Defined_Bond_Stereo_Count	0
18984686	Mono_Isotopic_Weight	99.032028402
230976	Molecular_Weight	193.11
16441	Isotope_Atom_Count	0
88520001	Exact_Mass	422.36670574
52946076	Total_Formal_Charge	0
2370	Hydrogen_Bond_Acceptor_Count	2
4092621	Non-hydrogen_Atom_Count	15
11773	Non-hydrogen_Atom_Count	19
102601816	Defined_Bond_Stereo_Count	0
85456	Structure_Complexity	422
48011	Rotatable_Bond_Count	12
5356789	Isotope_Atom_Count	0
4205687	Undefined_Atom_Stereo_Count	0
23219736	TPSA	49.7
148119	Covalent_Unit_Count	1
92753	Undefined_Bond_Stereo_Count	0
11692123	Hydrogen_Bond_Acceptor_Count	8
90903483	Undefined_Bond_Stereo_Count	0
518740	Total_Formal_Charge	0
9865514	Non-hydrogen_Atom_Count	30
32040	Rotatable_Bond_Count	5
73707340	Exact_Mass	326.272199093
71307	Undefined_Bond_Stereo_Count	0
11716665	Hydrogen_Bond_Donor_Count	1
13000487	Structure_Complexity	0
51358375	Undefined_Bond_Stereo_Count	0
5310985	Molecular_Weight	308.4
21881166	Undefined_Atom_Stereo_Count	0
5259916	Total_Formal_Charge	0
11600	Structure_Complexity	48.4
5281066	Non-hydrogen_Atom_Count	38
11510932	Non-hydrogen_Atom_Count	31
224244	Exact_Mass	112.088815002
7658	Hydrogen_Bond_Acceptor_Count	2
9874591	TPSA	195
855556	Non-hydrogen_Atom_Count	20
35023	Mono_Isotopic_Weight	246.11167570
480785	Rotatable_Bond_Count	5
5363234	Structure_Complexity	362
87868	Undefined_Atom_Stereo_Count	0
7230	Exact_Mass	238.05984080
135846130	Hydrogen_Bond_Acceptor_Count	19
12339044	Isotope_Atom_Count	0
10267	Mono_Isotopic_Weight	339.99604987
70789197	Total_Formal_Charge	0
16135	Tautomer_Count	1
21828691	Rotatable_Bond_Count	1
3286	Non-hydrogen_Atom_Count	19
60285	Total_Formal_Charge	0
7770	Defined_Atom_Stereo_Count	0
56841596	Undefined_Atom_Stereo_Count	7
54698175	Structure_Complexity	915
135398638	Molecular_Weight	136.11
44562492	Mono_Isotopic_Weight	389.10856464
7096	Hydrogen_Bond_Donor_Count	1
253193	Covalent_Unit_Count	1
2443	Non-hydrogen_Atom_Count	43
5251896	Exact_Mass	303.19467705
6951123	Exact_Mass	145.110278721
9688	Defined_Bond_Stereo_Count	0
441757	Rotatable_Bond_Count	2
6163	Molecular_Weight	154.19
26033	Non-hydrogen_Atom_Count	24
55287853	Structure_Complexity	89.5
7844	Hydrogen_Bond_Acceptor_Count	0
313215	Covalent_Unit_Count	1
129146	Hydrogen_Bond_Donor_Count	2
10007	Undefined_Bond_Stereo_Count	0
4195974	Rotatable_Bond_Count	2
5735	Covalent_Unit_Count	1
11538592	Rotatable_Bond_Count	4
6435500	Total_Formal_Charge	0
139134	Mono_Isotopic_Weight	105.032697108
53846435	Covalent_Unit_Count	1
21828691	Undefined_Bond_Stereo_Count	0
152986859	Covalent_Unit_Count	1
14416477	Hydrogen_Bond_Acceptor_Count	7
44925	XLogP3-AA	4
31528	Isotope_Atom_Count	0
5281878	Undefined_Bond_Stereo_Count	0
721947	Mono_Isotopic_Weight	332.9838118
1971	Isotope_Atom_Count	0
16015	Rotatable_Bond_Count	2
53565	Total_Formal_Charge	0
18622366	Undefined_Bond_Stereo_Count	0
8153	Hydrogen_Bond_Donor_Count	0
62753	Total_Formal_Charge	0
524766	Mono_Isotopic_Weight	95.073499291
23677927	TPSA	65.6
23010495	Undefined_Atom_Stereo_Count	4
3603	Structure_Complexity	363
170249	Non-hydrogen_Atom_Count	10
5372131	Defined_Atom_Stereo_Count	0
5288783	Non-hydrogen_Atom_Count	30
171296	Mono_Isotopic_Weight	291.1138399
24176	Total_Formal_Charge	0
428338	Rotatable_Bond_Count	2
2201	Rotatable_Bond_Count	1
24847750	Rotatable_Bond_Count	1
3383	Defined_Bond_Stereo_Count	0
54325138	Total_Formal_Charge	0
146396	Isotope_Atom_Count	0
13183276	Covalent_Unit_Count	1
15284838	Non-hydrogen_Atom_Count	12
5736	Undefined_Bond_Stereo_Count	0
264891	Rotatable_Bond_Count	11
26139	Structure_Complexity	239
324379	Undefined_Bond_Stereo_Count	0
49659	Defined_Bond_Stereo_Count	0
14502976	Structure_Complexity	205
88051007	Covalent_Unit_Count	1
160312	XLogP3-AA	3.7
76989	Hydrogen_Bond_Acceptor_Count	0
528612	Covalent_Unit_Count	1
2723650	TPSA	56.2
203433	Total_Formal_Charge	0
7594067	Covalent_Unit_Count	1
73110	TPSA	146
8115	TPSA	9.2
4132	Molecular_Weight	492.5
138950	Hydrogen_Bond_Donor_Count	0
5311	Tautomer_Count	12
147684232	Defined_Atom_Stereo_Count	0
96568	Structure_Complexity	216
55285488	Isotope_Atom_Count	0
11592	Covalent_Unit_Count	1
232446	XLogP3-AA	5.4
2201	Undefined_Bond_Stereo_Count	0
133667882	Isotope_Atom_Count	0
52944109	Molecular_Weight	415.4
11423563	Non-hydrogen_Atom_Count	7
3758	Structure_Complexity	318
69578	Undefined_Bond_Stereo_Count	0
59660022	Mono_Isotopic_Weight	96.057514874
84715998	Isotope_Atom_Count	0
12513420	XLogP3-AA	0.9
656954	Rotatable_Bond_Count	2
162955681	Non-hydrogen_Atom_Count	23
98266	Mono_Isotopic_Weight	130.135765193
61101	Mono_Isotopic_Weight	208.06953611
11020241	Structure_Complexity	232
92043424	Hydrogen_Bond_Acceptor_Count	50
22833454	Molecular_Weight	199.38
77195	Structure_Complexity	46.1
51585	Mono_Isotopic_Weight	224.08710092
75310475	Rotatable_Bond_Count	10
5257090	TPSA	80.5
102504	Hydrogen_Bond_Donor_Count	2
55185	Hydrogen_Bond_Acceptor_Count	14
176453	Hydrogen_Bond_Acceptor_Count	4
2610	Defined_Atom_Stereo_Count	0
5702220	Defined_Atom_Stereo_Count	0
98174	Total_Formal_Charge	0
58498	Defined_Atom_Stereo_Count	0
95162411	Isotope_Atom_Count	0
7566539	Isotope_Atom_Count	0
12097375	Undefined_Atom_Stereo_Count	1
674917	TPSA	38.3
5281107	Tautomer_Count	1
53763274	Mono_Isotopic_Weight	94.078250319
10027781	Covalent_Unit_Count	1
156618026	Structure_Complexity	382
142123799	Covalent_Unit_Count	1
2347	Defined_Bond_Stereo_Count	0
221511	Total_Formal_Charge	0
28852	Covalent_Unit_Count	1
382	Isotope_Atom_Count	0
3000	Hydrogen_Bond_Donor_Count	2
90818	Defined_Atom_Stereo_Count	0
11681588	Molecular_Weight	337.4
92907	Defined_Atom_Stereo_Count	1
12088	Covalent_Unit_Count	1
12471	Exact_Mass	194.940932
63390	Defined_Bond_Stereo_Count	0
6432434	Mono_Isotopic_Weight	332.23514488
285402	Structure_Complexity	292
167659	Molecular_Weight	172.15
528407	TPSA	26
65940	Hydrogen_Bond_Acceptor_Count	7
12304109	Hydrogen_Bond_Acceptor_Count	2
8738	Mono_Isotopic_Weight	146.094294304
641496	Covalent_Unit_Count	1
135398645	Molecular_Weight	457.4
11054	Isotope_Atom_Count	0
24868273	Undefined_Bond_Stereo_Count	0
3855171	XLogP3	0.4
10698	Isotope_Atom_Count	0
56663314	Hydrogen_Bond_Donor_Count	1
17174	Isotope_Atom_Count	0
164702	Molecular_Weight	100.12
151114	Rotatable_Bond_Count	1
23661014	Defined_Bond_Stereo_Count	0
13743295	Rotatable_Bond_Count	0
638021	TPSA	12
10892838	Hydrogen_Bond_Donor_Count	1
20191	Molecular_Weight	380.3
628127	Undefined_Atom_Stereo_Count	0
15627	TPSA	0
12744661	Hydrogen_Bond_Acceptor_Count	1
250074	Defined_Atom_Stereo_Count	0
21751982	Undefined_Atom_Stereo_Count	0
69332464	Undefined_Bond_Stereo_Count	0
6786	Defined_Bond_Stereo_Count	0
104798	Structure_Complexity	0
86790	Hydrogen_Bond_Donor_Count	0
3776755	Isotope_Atom_Count	0
6839	Defined_Bond_Stereo_Count	0
67711	Covalent_Unit_Count	1
55653	Molecular_Weight	263.16
3722	Total_Formal_Charge	0
57716	Defined_Bond_Stereo_Count	0
14866914	Molecular_Weight	102.09
67619	Molecular_Weight	206.06
12102	Rotatable_Bond_Count	1
40854	Molecular_Weight	315.3
14739174	Non-hydrogen_Atom_Count	8
9548590	Defined_Atom_Stereo_Count	10
96088	Defined_Bond_Stereo_Count	0
122706529	Hydrogen_Bond_Donor_Count	6
1013	Undefined_Bond_Stereo_Count	0
77922	Exact_Mass	117.078978594
10567	Defined_Atom_Stereo_Count	0
131954786	Molecular_Weight	3357.9
6992041	TPSA	160
14711688	Structure_Complexity	76.6
20239	Covalent_Unit_Count	1
21357280	Covalent_Unit_Count	1
14342	Undefined_Bond_Stereo_Count	0
6992020	Hydrogen_Bond_Donor_Count	0
2723766	Undefined_Bond_Stereo_Count	0
98266	Defined_Bond_Stereo_Count	0
75496	Defined_Bond_Stereo_Count	0
211468	Total_Formal_Charge	0
591	Mono_Isotopic_Weight	893.20709926
135564773	Undefined_Atom_Stereo_Count	0
13129031	Structure_Complexity	111
84605	Structure_Complexity	129
12699282	TPSA	9.2
80037	Undefined_Bond_Stereo_Count	0
50964	TPSA	27.7
123642	Hydrogen_Bond_Acceptor_Count	4
19933060	Rotatable_Bond_Count	3
6713443	Rotatable_Bond_Count	1
8566	Molecular_Weight	809.1
1069125	Defined_Bond_Stereo_Count	0
11062308	Undefined_Atom_Stereo_Count	0
57403154	Hydrogen_Bond_Donor_Count	4
78960	Hydrogen_Bond_Donor_Count	0
5363548	Undefined_Atom_Stereo_Count	0
51371222	TPSA	91.2
50491	Undefined_Bond_Stereo_Count	0
50	Total_Formal_Charge	0
13925935	Covalent_Unit_Count	1
1505	Covalent_Unit_Count	1
292661	TPSA	104
175988	Total_Formal_Charge	0
60196383	Hydrogen_Bond_Acceptor_Count	6
6321330	Hydrogen_Bond_Acceptor_Count	6
71509158	TPSA	166
9800285	Defined_Atom_Stereo_Count	1
18687754	Exact_Mass	348.00794255
10766	Structure_Complexity	247
12637126	Covalent_Unit_Count	1
13858	Defined_Atom_Stereo_Count	0
135214	Covalent_Unit_Count	1
118459248	Covalent_Unit_Count	1
57174138	Rotatable_Bond_Count	2
5625	Structure_Complexity	749
20486	Defined_Bond_Stereo_Count	0
54502555	Undefined_Bond_Stereo_Count	0
76380	Exact_Mass	350.15180918
22134406	Hydrogen_Bond_Acceptor_Count	3
23540330	Hydrogen_Bond_Acceptor_Count	2
4755801	Undefined_Atom_Stereo_Count	0
137550	Isotope_Atom_Count	0
4748	Exact_Mass	403.1485113
46902102	Mono_Isotopic_Weight	1114.49035070
92626	Hydrogen_Bond_Donor_Count	1
6530	Total_Formal_Charge	0
9799	Covalent_Unit_Count	1
20056440	Rotatable_Bond_Count	4
22288608	Exact_Mass	106.053098200
137705128	Hydrogen_Bond_Acceptor_Count	14
138195	Mono_Isotopic_Weight	126.068079557
11517780	Hydrogen_Bond_Acceptor_Count	7
674701	Defined_Bond_Stereo_Count	0
23688976	Defined_Bond_Stereo_Count	0
21331354	Undefined_Atom_Stereo_Count	1
907457	Total_Formal_Charge	0
449015	Covalent_Unit_Count	1
124249128	Hydrogen_Bond_Donor_Count	1
10057444	Structure_Complexity	58.6
71457270	Mono_Isotopic_Weight	553.2343490
961335	Hydrogen_Bond_Acceptor_Count	3
46830239	Isotope_Atom_Count	0
110635	Defined_Atom_Stereo_Count	2
244030	Structure_Complexity	159
54550804	Exact_Mass	109.052763847
77541	Defined_Bond_Stereo_Count	0
5359541	Non-hydrogen_Atom_Count	7
3267139	Rotatable_Bond_Count	6
80622	Non-hydrogen_Atom_Count	7
156599239	Hydrogen_Bond_Acceptor_Count	3
449242	Molecular_Weight	360.26
3328	Rotatable_Bond_Count	10
45358438	Total_Formal_Charge	0
125286695	Undefined_Bond_Stereo_Count	0
3678	Structure_Complexity	214
10464312	TPSA	34.1
11169	Rotatable_Bond_Count	0
60196363	Exact_Mass	415.21474379
139062042	Defined_Atom_Stereo_Count	1
3718	Defined_Bond_Stereo_Count	0
17931	Structure_Complexity	403
133635911	XLogP3-AA	4
267449	Hydrogen_Bond_Donor_Count	1
23000221	Covalent_Unit_Count	1
10375	Isotope_Atom_Count	0
118318030	Covalent_Unit_Count	1
926	Exact_Mass	664.11694759
140152869	Undefined_Bond_Stereo_Count	1
104774	Undefined_Atom_Stereo_Count	0
44149909	Mono_Isotopic_Weight	691.39449905
5462508	TPSA	61.7
135418940	Structure_Complexity	505
49865859	Defined_Bond_Stereo_Count	0
55146	Tautomer_Count	2
90957864	Total_Formal_Charge	0
58420421	Defined_Bond_Stereo_Count	0
49866505	TPSA	84.5
136836	Undefined_Bond_Stereo_Count	0
5281544	Total_Formal_Charge	0
49852363	Structure_Complexity	260
43853	Mono_Isotopic_Weight	303.97114494
2762874	Undefined_Atom_Stereo_Count	0
821629	Rotatable_Bond_Count	2
30493	Isotope_Atom_Count	0
30951	Exact_Mass	226.0396719
1068	XLogP3-AA	0.9
66749731	Hydrogen_Bond_Donor_Count	2
129980649	Exact_Mass	100.052429494
6221	Exact_Mass	384.339216023
688323	TPSA	41.1
86083878	Mono_Isotopic_Weight	94.078250319
72187525	Defined_Bond_Stereo_Count	5
520383	Undefined_Atom_Stereo_Count	1
3085156	Exact_Mass	226.11398438
21843641	Isotope_Atom_Count	0
67247971	Molecular_Weight	406.4
5353636	Mono_Isotopic_Weight	225.03857033
13878035	Non-hydrogen_Atom_Count	28
19606817	Defined_Bond_Stereo_Count	0
1367	Defined_Atom_Stereo_Count	0
4382	Hydrogen_Bond_Acceptor_Count	3
198061	TPSA	49.8
129860447	Structure_Complexity	42.8
439661	Molecular_Weight	172.23
123664	Total_Formal_Charge	0
152754843	Undefined_Bond_Stereo_Count	0
102020084	Undefined_Atom_Stereo_Count	0
14416018	Structure_Complexity	115
426	Tautomer_Count	2
883476	Hydrogen_Bond_Donor_Count	1
13123	Defined_Bond_Stereo_Count	0
68727	Hydrogen_Bond_Acceptor_Count	2
67247849	Defined_Bond_Stereo_Count	0
493949	Mono_Isotopic_Weight	201.98883880
10057444	Exact_Mass	86.036779430
11315	Structure_Complexity	523
76030824	Defined_Atom_Stereo_Count	0
7060	Undefined_Bond_Stereo_Count	0
60199965	Molecular_Weight	476.5
12202794	Mono_Isotopic_Weight	115.063328530
123888456	Rotatable_Bond_Count	1
5360134	TPSA	31.2
91768	Tautomer_Count	1
91231076	Undefined_Bond_Stereo_Count	0
20912	Structure_Complexity	93.8
18728219	Rotatable_Bond_Count	1
54680694	Molecular_Weight	527.6
10701	Tautomer_Count	1
102358067	Isotope_Atom_Count	0
137895	Defined_Atom_Stereo_Count	0
74319	Structure_Complexity	201
439507	Isotope_Atom_Count	0
117781134	Defined_Atom_Stereo_Count	2
23409	Undefined_Bond_Stereo_Count	0
31278	Defined_Bond_Stereo_Count	0
12233709	Hydrogen_Bond_Donor_Count	0
132252	Mono_Isotopic_Weight	383.0820006
68322184	Exact_Mass	354.14920402
431097	Undefined_Bond_Stereo_Count	0
9690	Exact_Mass	277.07144843
1331	Exact_Mass	282.09728894
57399125	Defined_Bond_Stereo_Count	0
97469	Hydrogen_Bond_Acceptor_Count	2
54870	Undefined_Atom_Stereo_Count	1
57399614	Molecular_Weight	543.6
14791281	Defined_Bond_Stereo_Count	0
75005	Hydrogen_Bond_Donor_Count	0
6866	Mono_Isotopic_Weight	196.9799046
135403630	Mono_Isotopic_Weight	247.10692467
37822	Total_Formal_Charge	0
119202	Structure_Complexity	725
90863152	Rotatable_Bond_Count	0
228506	Covalent_Unit_Count	1
5266	Isotope_Atom_Count	0
34800	Hydrogen_Bond_Acceptor_Count	2
65040	Undefined_Bond_Stereo_Count	0
14197	XLogP3	2.2
85663349	Rotatable_Bond_Count	3
56974851	Hydrogen_Bond_Acceptor_Count	3
561861	Molecular_Weight	194.23
2037	Undefined_Bond_Stereo_Count	0
8340	Mono_Isotopic_Weight	353.12632271
11213	Defined_Bond_Stereo_Count	0
131751341	Hydrogen_Bond_Donor_Count	8
170366	Undefined_Atom_Stereo_Count	2
47455	Non-hydrogen_Atom_Count	21
9236	Defined_Atom_Stereo_Count	0
8369	Molecular_Weight	126.11
22096568	Defined_Bond_Stereo_Count	0
490	Rotatable_Bond_Count	2
8697	Molecular_Weight	144.21
92764	Undefined_Bond_Stereo_Count	0
6602480	Non-hydrogen_Atom_Count	40
2734162	Exact_Mass	139.123523487
1094	Hydrogen_Bond_Acceptor_Count	5
483180	Tautomer_Count	1
17424	Defined_Atom_Stereo_Count	0
11957684	Isotope_Atom_Count	0
15702065	Exact_Mass	114.068079557
64048	TPSA	58.2
83224	Covalent_Unit_Count	1
2192	Defined_Bond_Stereo_Count	0
44455117	Mono_Isotopic_Weight	377.11218768
10461508	Hydrogen_Bond_Donor_Count	2
18980	XLogP3-AA	0.5
44809	Covalent_Unit_Count	3
830713	Defined_Bond_Stereo_Count	0
11782763	Exact_Mass	94.041864811
35020890	TPSA	74.6
11648276	Structure_Complexity	636
664081	Hydrogen_Bond_Donor_Count	1
47640	Hydrogen_Bond_Acceptor_Count	1
11122050	Rotatable_Bond_Count	3
45117213	XLogP3	1.7
66783827	Structure_Complexity	46.2
11175137	Undefined_Bond_Stereo_Count	0
75530159	Structure_Complexity	173
14320623	XLogP3-AA	2
56654130	Undefined_Bond_Stereo_Count	0
9841596	Isotope_Atom_Count	0
9266	Undefined_Bond_Stereo_Count	0
217049	Undefined_Atom_Stereo_Count	0
123162	Hydrogen_Bond_Donor_Count	0
17963	Non-hydrogen_Atom_Count	22
452254	Hydrogen_Bond_Acceptor_Count	6
7628	Rotatable_Bond_Count	0
22636846	Non-hydrogen_Atom_Count	8
166585863	Covalent_Unit_Count	1
134129846	Undefined_Bond_Stereo_Count	0
6950248	Mono_Isotopic_Weight	103.099714038
79037	Mono_Isotopic_Weight	125.120449483
2761815	Hydrogen_Bond_Acceptor_Count	3
18779014	Covalent_Unit_Count	1
3893	Structure_Complexity	132
12207545	Undefined_Atom_Stereo_Count	0
13356643	Hydrogen_Bond_Donor_Count	1
73426	TPSA	49.8
723025	Exact_Mass	282.14806121
49652	Undefined_Atom_Stereo_Count	0
140738	Hydrogen_Bond_Donor_Count	0
11269297	Hydrogen_Bond_Donor_Count	3
3239844	Undefined_Atom_Stereo_Count	0
24350	Molecular_Weight	190.45
59539	Covalent_Unit_Count	1
6042	Covalent_Unit_Count	2
60529	Structure_Complexity	301
212	Hydrogen_Bond_Donor_Count	4
6971016	Undefined_Bond_Stereo_Count	0
21583979	Hydrogen_Bond_Donor_Count	1
67375395	XLogP3-AA	2.8
87663190	Undefined_Atom_Stereo_Count	0
112029	Hydrogen_Bond_Donor_Count	1
11858153	TPSA	138
15084312	Molecular_Weight	100.12
629281	TPSA	105
88729	XLogP3	3.9
274082	Exact_Mass	548.12131415
516806	Covalent_Unit_Count	6
129662960	XLogP3-AA	5.3
40949	Structure_Complexity	470
11152667	XLogP3-AA	2.3
642801	Isotope_Atom_Count	0
9889366	Molecular_Weight	438.6
4678	Mono_Isotopic_Weight	205.13140809
142290	Total_Formal_Charge	0
101001097	Structure_Complexity	770
46783795	Undefined_Bond_Stereo_Count	0
74390	Rotatable_Bond_Count	7
20601501	Rotatable_Bond_Count	2
122130476	Undefined_Bond_Stereo_Count	0
3081420	Exact_Mass	186.013186
63853	Hydrogen_Bond_Donor_Count	0
9877343	Covalent_Unit_Count	1
59154995	Undefined_Bond_Stereo_Count	0
73879	Hydrogen_Bond_Acceptor_Count	0
6710631	Rotatable_Bond_Count	1
36131	Covalent_Unit_Count	1
57328385	Exact_Mass	407.08816112
6829	Tautomer_Count	1
14294229	Undefined_Atom_Stereo_Count	0
3631	Defined_Atom_Stereo_Count	0
122672078	Mono_Isotopic_Weight	112.088815002
23263244	Molecular_Weight	112.13
22530	Structure_Complexity	350
6917662	Rotatable_Bond_Count	3
55784	Rotatable_Bond_Count	5
10618	Defined_Bond_Stereo_Count	0
44453028	Exact_Mass	534.21547206
135011791	Undefined_Bond_Stereo_Count	0
73110	Structure_Complexity	1010
8281	XLogP3	0.5
975620	TPSA	24.9
442882	Non-hydrogen_Atom_Count	27
2461	XLogP3	2.9
85787089	XLogP3-AA	0.7
933147	Undefined_Atom_Stereo_Count	0
141772581	Total_Formal_Charge	0
59072033	Mono_Isotopic_Weight	416.32904526
85557	Non-hydrogen_Atom_Count	14
148013616	Defined_Bond_Stereo_Count	0
65987055	Defined_Atom_Stereo_Count	0
17754111	Undefined_Bond_Stereo_Count	0
153903	XLogP3-AA	1.1
15731	Structure_Complexity	161
70926	Hydrogen_Bond_Donor_Count	2
86857	Rotatable_Bond_Count	4
3436	Non-hydrogen_Atom_Count	19
73361	Total_Formal_Charge	0
14815775	Rotatable_Bond_Count	0
9915886	Rotatable_Bond_Count	7
3267139	Covalent_Unit_Count	1
6410	XLogP3-AA	0.6
4339626	Isotope_Atom_Count	0
9912474	XLogP3-AA	5.4
16351	Non-hydrogen_Atom_Count	23
439356	Mono_Isotopic_Weight	203.105862047
6433082	Exact_Mass	251.1288213
9955951	Isotope_Atom_Count	0
22124932	Rotatable_Bond_Count	0
1470839	Non-hydrogen_Atom_Count	20
107697	Undefined_Bond_Stereo_Count	0
18728307	Covalent_Unit_Count	1
9929785	Undefined_Atom_Stereo_Count	0
51906	Mono_Isotopic_Weight	223.12084340
19858611	Total_Formal_Charge	0
51894	Non-hydrogen_Atom_Count	15
10887840	Covalent_Unit_Count	1
5284329	Total_Formal_Charge	0
135449327	Defined_Bond_Stereo_Count	0
2156	Hydrogen_Bond_Donor_Count	1
94834	Defined_Atom_Stereo_Count	0
195	Hydrogen_Bond_Donor_Count	7
448400	Undefined_Bond_Stereo_Count	0
56777521	Total_Formal_Charge	0
20387231	Defined_Atom_Stereo_Count	0
68939	Total_Formal_Charge	0
28346	Hydrogen_Bond_Donor_Count	1
3121386	TPSA	84
248370	Non-hydrogen_Atom_Count	27
21843641	TPSA	12
12229743	Total_Formal_Charge	0
140793266	Rotatable_Bond_Count	1
11550045	Total_Formal_Charge	0
9917013	Isotope_Atom_Count	0
160312	Undefined_Bond_Stereo_Count	3
3427	Structure_Complexity	382
96809	Covalent_Unit_Count	1
19283	Non-hydrogen_Atom_Count	34
135398495	Exact_Mass	381.19132300
819440	Structure_Complexity	76.8
21989049	Mono_Isotopic_Weight	98.048012819
82111162	Exact_Mass	115.099714038
449171	Defined_Atom_Stereo_Count	0
165892084	Defined_Bond_Stereo_Count	0
334447	Non-hydrogen_Atom_Count	16
71597391	Total_Formal_Charge	0
135403805	Rotatable_Bond_Count	3
2723856	Molecular_Weight	89.14
23063800	Molecular_Weight	111.15
53319417	Mono_Isotopic_Weight	450.1346349
53756508	Rotatable_Bond_Count	1
34927	Undefined_Bond_Stereo_Count	0
6918580	Undefined_Atom_Stereo_Count	2
5353422	Rotatable_Bond_Count	8
153997	Isotope_Atom_Count	0
441384	Defined_Atom_Stereo_Count	4
78597	Defined_Atom_Stereo_Count	0
11049	Molecular_Weight	647.9
22466500	Hydrogen_Bond_Acceptor_Count	3
11045	XLogP3-AA	0.2
141028526	Isotope_Atom_Count	0
6328154	Mono_Isotopic_Weight	263.07428675
31013	Non-hydrogen_Atom_Count	16
66383	Exact_Mass	541.23455300
44414758	TPSA	55.1
44548149	TPSA	116
969516	TPSA	93.1
16722832	Molecular_Weight	509.7
137547	Undefined_Atom_Stereo_Count	0
89990549	Molecular_Weight	103.12
5365055	Undefined_Bond_Stereo_Count	0
71719928	Rotatable_Bond_Count	18
143811683	Defined_Atom_Stereo_Count	0
71583603	Covalent_Unit_Count	1
123653016	Molecular_Weight	98.14
135407408	Total_Formal_Charge	0
9855448	Molecular_Weight	85.10
44195571	Total_Formal_Charge	0
11241881	Undefined_Bond_Stereo_Count	0
144826028	Non-hydrogen_Atom_Count	8
444474	Hydrogen_Bond_Acceptor_Count	4
5619	TPSA	23.6
191841	Exact_Mass	376.308978523
3058839	XLogP3-AA	3
15541	TPSA	130
5362712	Tautomer_Count	1
10582773	Rotatable_Bond_Count	3
18597	Mono_Isotopic_Weight	150.104465066
402827	Defined_Bond_Stereo_Count	0
12210218	Total_Formal_Charge	0
292	TPSA	301
88703	Undefined_Atom_Stereo_Count	0
163872486	Defined_Atom_Stereo_Count	11
90725416	Structure_Complexity	1830
11123757	Defined_Atom_Stereo_Count	0
13346655	XLogP3-AA	1.2
13751	Defined_Atom_Stereo_Count	0
59059061	TPSA	38.7
55851	Hydrogen_Bond_Acceptor_Count	2
90451	Molecular_Weight	115.13
75777	Mono_Isotopic_Weight	187.063328530
129746471	Exact_Mass	96.021129366
16170	Mono_Isotopic_Weight	331.1339066
88344183	Rotatable_Bond_Count	10
61638	Tautomer_Count	1
54758035	Molecular_Weight	490.6
112072	Defined_Bond_Stereo_Count	0
398663	Hydrogen_Bond_Acceptor_Count	3
65351	Mono_Isotopic_Weight	147.01764164
57415441	Hydrogen_Bond_Donor_Count	1
312915	Defined_Atom_Stereo_Count	0
23757	Rotatable_Bond_Count	4
18635	Exact_Mass	104.02958605
18628727	Covalent_Unit_Count	1
416	Tautomer_Count	2
156418	Hydrogen_Bond_Acceptor_Count	4
656495	Hydrogen_Bond_Donor_Count	7
24180972	Isotope_Atom_Count	0
13950369	Covalent_Unit_Count	1
16376	Non-hydrogen_Atom_Count	8
11503692	Rotatable_Bond_Count	7
25127713	Rotatable_Bond_Count	6
566589	Tautomer_Count	2
47294	Hydrogen_Bond_Acceptor_Count	4
246916	Undefined_Bond_Stereo_Count	0
92851	Mono_Isotopic_Weight	121.01974964
71112644	Molecular_Weight	407.3
75066	Non-hydrogen_Atom_Count	27
68891	Undefined_Atom_Stereo_Count	0
106729	Covalent_Unit_Count	1
2737136	Undefined_Atom_Stereo_Count	0
37720	Non-hydrogen_Atom_Count	35
14440442	Mono_Isotopic_Weight	100.03851076
24456	Covalent_Unit_Count	5
5388962	Covalent_Unit_Count	1
9866696	Rotatable_Bond_Count	3
17700	Defined_Atom_Stereo_Count	0
443951	Molecular_Weight	340.5
65919626	Rotatable_Bond_Count	1
45488111	Defined_Atom_Stereo_Count	0
23671932	Defined_Bond_Stereo_Count	0
1364	Structure_Complexity	624
71679077	Molecular_Weight	425.7
144369145	Hydrogen_Bond_Acceptor_Count	2
77529	Molecular_Weight	247.03
6437841	Structure_Complexity	539
6868	Exact_Mass	239.02522894
10046404	XLogP3-AA	5.2
520216	Isotope_Atom_Count	0
6273649	Undefined_Atom_Stereo_Count	0
21248212	Hydrogen_Bond_Donor_Count	0
43006	Defined_Bond_Stereo_Count	0
4739928	Hydrogen_Bond_Donor_Count	0
9983292	Isotope_Atom_Count	0
1397	Non-hydrogen_Atom_Count	47
6078	Undefined_Atom_Stereo_Count	0
13463260	Isotope_Atom_Count	0
69170	Undefined_Atom_Stereo_Count	0
12217497	TPSA	17.1
47472	Undefined_Atom_Stereo_Count	1
30976	Hydrogen_Bond_Acceptor_Count	5
51049607	Structure_Complexity	422
71332025	Total_Formal_Charge	0
17852315	Hydrogen_Bond_Donor_Count	1
10245190	XLogP3-AA	4.5
57104	TPSA	104
5283316	Covalent_Unit_Count	1
22181125	Mono_Isotopic_Weight	87.068413911
12990	Total_Formal_Charge	0
757	Hydrogen_Bond_Donor_Count	2
93463	Covalent_Unit_Count	1
9821945	Defined_Atom_Stereo_Count	0
92758	Isotope_Atom_Count	0
5289613	Total_Formal_Charge	0
38101	Structure_Complexity	261
23435	Tautomer_Count	1
135744192	Molecular_Weight	116.08
22419	Undefined_Bond_Stereo_Count	0
10313077	Hydrogen_Bond_Acceptor_Count	1
6127	TPSA	0
3086576	Defined_Bond_Stereo_Count	0
97120	Defined_Atom_Stereo_Count	0
12286866	XLogP3-AA	0.8
6433586	Hydrogen_Bond_Donor_Count	6
18442594	Hydrogen_Bond_Acceptor_Count	3
17778639	Defined_Atom_Stereo_Count	0
118704759	Defined_Atom_Stereo_Count	1
101008927	Non-hydrogen_Atom_Count	20
22212137	Total_Formal_Charge	0
234105	Structure_Complexity	724
688091	XLogP3-AA	0.7
135612794	Tautomer_Count	17
11286483	Hydrogen_Bond_Acceptor_Count	2
4888	Mono_Isotopic_Weight	255.08954328
61828	Undefined_Bond_Stereo_Count	0
12210211	Non-hydrogen_Atom_Count	8
6235	TPSA	43.2
140123	Hydrogen_Bond_Donor_Count	0
5270	XLogP3	0.4
5362119	Mono_Isotopic_Weight	405.22637110
4183883	Hydrogen_Bond_Donor_Count	0
71307528	Non-hydrogen_Atom_Count	73
31388	Isotope_Atom_Count	0
11583	TPSA	17.1
12931639	Defined_Bond_Stereo_Count	0
131632500	Defined_Bond_Stereo_Count	0
122685	Hydrogen_Bond_Acceptor_Count	12
12630265	Rotatable_Bond_Count	0
56765705	XLogP3-AA	0.1
3796816	Mono_Isotopic_Weight	110.036779430
44401302	Defined_Bond_Stereo_Count	0
71449007	Mono_Isotopic_Weight	1914.8077146
5473310	Mono_Isotopic_Weight	286.04773803
19594968	Molecular_Weight	72.11
1530	TPSA	56.7
12289998	Covalent_Unit_Count	1
68492470	Total_Formal_Charge	0
10756746	Hydrogen_Bond_Acceptor_Count	6
3955344	Structure_Complexity	599
4975	XLogP3-AA	1
5354043	Total_Formal_Charge	0
444797	Total_Formal_Charge	0
947	TPSA	47.6
25014762	TPSA	66
15533	Defined_Atom_Stereo_Count	0
89976630	Molecular_Weight	107.11
11983193	Rotatable_Bond_Count	12
245005	Defined_Atom_Stereo_Count	14
76216	Rotatable_Bond_Count	3
136010411	Mono_Isotopic_Weight	109.03884512
57186573	Molecular_Weight	98.10
11625340	Undefined_Atom_Stereo_Count	0
66908038	Isotope_Atom_Count	0
139194774	TPSA	89
18952630	Structure_Complexity	52
18352756	Defined_Bond_Stereo_Count	0
37968	Tautomer_Count	2
67511	Hydrogen_Bond_Donor_Count	0
9835852	Total_Formal_Charge	0
398596	Undefined_Bond_Stereo_Count	0
9843089	Tautomer_Count	1
54587760	Hydrogen_Bond_Donor_Count	1
141516912	Hydrogen_Bond_Donor_Count	0
87098264	Undefined_Bond_Stereo_Count	0
68365445	Defined_Bond_Stereo_Count	0
91480910	Defined_Bond_Stereo_Count	0
50258	Hydrogen_Bond_Donor_Count	3
6533	Rotatable_Bond_Count	8
161830	Defined_Bond_Stereo_Count	0
57363	Non-hydrogen_Atom_Count	27
28780	Tautomer_Count	6
4454	Defined_Atom_Stereo_Count	0
242082	Structure_Complexity	119
10898645	Undefined_Bond_Stereo_Count	0
5354	Non-hydrogen_Atom_Count	23
162081	Total_Formal_Charge	0
142123799	Exact_Mass	102.079312947
6995013	Non-hydrogen_Atom_Count	11
5367460	Mono_Isotopic_Weight	306.255880323
73759809	XLogP3-AA	5.9
63985	Total_Formal_Charge	0
128907	Exact_Mass	345.0226421
84647648	Total_Formal_Charge	0
123935	Exact_Mass	217.10625597
30781	Total_Formal_Charge	0
976	Undefined_Bond_Stereo_Count	0
59810317	Non-hydrogen_Atom_Count	7
10011877	Undefined_Bond_Stereo_Count	0
117488	Isotope_Atom_Count	0
6453	Total_Formal_Charge	0
134687781	Structure_Complexity	1480
70693550	Covalent_Unit_Count	1
535480	Defined_Bond_Stereo_Count	0
71463896	Defined_Bond_Stereo_Count	0
8193	Non-hydrogen_Atom_Count	13
9923	XLogP3-AA	1.5
659064	Undefined_Bond_Stereo_Count	0
146689208	Defined_Atom_Stereo_Count	0
14344952	Mono_Isotopic_Weight	112.063662883
11721	Covalent_Unit_Count	1
12604	Non-hydrogen_Atom_Count	26
54531644	Hydrogen_Bond_Acceptor_Count	2
88043361	TPSA	66.9
541675	Undefined_Bond_Stereo_Count	0
9955116	Mono_Isotopic_Weight	444.20088463
12251749	Hydrogen_Bond_Acceptor_Count	1
114946	Covalent_Unit_Count	1
72200848	Hydrogen_Bond_Acceptor_Count	7
7018	Rotatable_Bond_Count	0
20055400	Defined_Bond_Stereo_Count	0
10219398	Structure_Complexity	160
6230	TPSA	37.3
5523	Rotatable_Bond_Count	4
20542700	Defined_Atom_Stereo_Count	0
78819	Undefined_Atom_Stereo_Count	0
84927	Tautomer_Count	1
56149	TPSA	46.5
348256	Hydrogen_Bond_Donor_Count	0
12348	Hydrogen_Bond_Acceptor_Count	2
8042	TPSA	26.3
2907	Non-hydrogen_Atom_Count	14
44560703	Hydrogen_Bond_Donor_Count	2
68704	Non-hydrogen_Atom_Count	16
24821094	Exact_Mass	440.19607403
17931	XLogP3	3.6
95616	Structure_Complexity	618
3355	Isotope_Atom_Count	0
12646624	TPSA	38
70077074	Defined_Bond_Stereo_Count	0
1222	Covalent_Unit_Count	1
135436537	Molecular_Weight	431.4
91971361	Hydrogen_Bond_Donor_Count	1
54740	Structure_Complexity	475
66260	Hydrogen_Bond_Acceptor_Count	2
7047	Structure_Complexity	111
6917900	Hydrogen_Bond_Acceptor_Count	5
2745	Total_Formal_Charge	0
3326	Undefined_Bond_Stereo_Count	0
91460705	Exact_Mass	114.068079557
6627	TPSA	0
180559	Exact_Mass	266.16304257
54377545	Mono_Isotopic_Weight	99.068413911
9793696	Hydrogen_Bond_Acceptor_Count	2
12193680	Non-hydrogen_Atom_Count	34
129867899	Rotatable_Bond_Count	4
16305	Molecular_Weight	328.00
11247	Undefined_Bond_Stereo_Count	0
10898017	Isotope_Atom_Count	0
35360	Non-hydrogen_Atom_Count	12
24825264	Total_Formal_Charge	0
10799	Non-hydrogen_Atom_Count	20
135738681	Total_Formal_Charge	0
123979022	Rotatable_Bond_Count	0
2794	Undefined_Bond_Stereo_Count	0
4943	Isotope_Atom_Count	0
859174	Rotatable_Bond_Count	4
13270940	Defined_Atom_Stereo_Count	0
6098	Undefined_Bond_Stereo_Count	0
74823	Covalent_Unit_Count	1
5405	Total_Formal_Charge	0
54678407	Rotatable_Bond_Count	2
12753	Defined_Bond_Stereo_Count	0
21753162	Non-hydrogen_Atom_Count	8
83093	Isotope_Atom_Count	0
24891699	Hydrogen_Bond_Acceptor_Count	6
6727	Mono_Isotopic_Weight	457.2051535
13691769	Mono_Isotopic_Weight	188.03342538
11562233	Defined_Atom_Stereo_Count	0
44125988	Rotatable_Bond_Count	5
53290	XLogP3-AA	4.1
15709948	Molecular_Weight	437.70
5362708	Mono_Isotopic_Weight	266.18819469
1306	Rotatable_Bond_Count	15
123309341	Mono_Isotopic_Weight	110.048012819
4017	Undefined_Atom_Stereo_Count	15
70685868	Molecular_Weight	478.5
86764	Exact_Mass	202.12050905
96490	Defined_Atom_Stereo_Count	0
4092	Exact_Mass	160.133753817
11539235	Defined_Atom_Stereo_Count	0
9953	Hydrogen_Bond_Donor_Count	2
60144418	Structure_Complexity	378
5371246	Undefined_Bond_Stereo_Count	0
6435993	Covalent_Unit_Count	2
3078	Covalent_Unit_Count	1
134754219	Rotatable_Bond_Count	3
30185	Hydrogen_Bond_Acceptor_Count	16
97341	TPSA	12.5
131695	Rotatable_Bond_Count	6
78431	Isotope_Atom_Count	0
78959	Defined_Atom_Stereo_Count	0
92394	XLogP3-AA	0.3
13543311	Isotope_Atom_Count	0
22181555	Non-hydrogen_Atom_Count	7
3702	Undefined_Atom_Stereo_Count	1
91276	Molecular_Weight	306.4
518516	Defined_Bond_Stereo_Count	0
133562767	Rotatable_Bond_Count	18
2282	Rotatable_Bond_Count	10
5460294	Mono_Isotopic_Weight	132.02968267
5283387	Isotope_Atom_Count	0
6604893	Exact_Mass	244.08120465
265237	Undefined_Bond_Stereo_Count	0
68643	Defined_Bond_Stereo_Count	0
139062015	Covalent_Unit_Count	2
737769	Defined_Bond_Stereo_Count	0
88553883	Molecular_Weight	100.07
36305	Defined_Atom_Stereo_Count	0
12393928	XLogP3-AA	1.3
12302675	Mono_Isotopic_Weight	342.11621151
1444	Defined_Atom_Stereo_Count	0
95566291	Exact_Mass	416.32904526
55294	Undefined_Atom_Stereo_Count	0
10937610	Covalent_Unit_Count	1
55472	Total_Formal_Charge	0
10987348	TPSA	0
84647682	Undefined_Atom_Stereo_Count	3
91599894	Molecular_Weight	110.20
137448	Hydrogen_Bond_Donor_Count	0
644109	Undefined_Atom_Stereo_Count	0
129734884	TPSA	207
81569	Mono_Isotopic_Weight	117.078978594
52660	Hydrogen_Bond_Donor_Count	1
68847	Defined_Bond_Stereo_Count	0
11315250	Total_Formal_Charge	0
80085	Defined_Atom_Stereo_Count	0
24802493	Non-hydrogen_Atom_Count	43
354520	Non-hydrogen_Atom_Count	20
8843	Total_Formal_Charge	0
99516	Undefined_Bond_Stereo_Count	0
11661	Defined_Atom_Stereo_Count	0
31573	Rotatable_Bond_Count	6
9840517	Undefined_Atom_Stereo_Count	0
58044790	Exact_Mass	108.068748264
5284613	Undefined_Bond_Stereo_Count	0
11949652	Isotope_Atom_Count	0
10809678	TPSA	41.6
12596780	Covalent_Unit_Count	1
19864017	Hydrogen_Bond_Acceptor_Count	5
57782	Exact_Mass	280.15354051
254	Hydrogen_Bond_Acceptor_Count	2
31356	Undefined_Bond_Stereo_Count	0
25164075	Mono_Isotopic_Weight	382.02932852
19425	Undefined_Bond_Stereo_Count	0
62852	TPSA	99.4
3730	Undefined_Atom_Stereo_Count	3
14417887	Undefined_Bond_Stereo_Count	0
94937	Exact_Mass	222.08045576
237953	Undefined_Atom_Stereo_Count	0
460129	Mono_Isotopic_Weight	173.04365571
24849168	Mono_Isotopic_Weight	316.14230712
6918446	Isotope_Atom_Count	0
17995822	Isotope_Atom_Count	0
125702	XLogP3-AA	2.3
44395089	Non-hydrogen_Atom_Count	44
55255930	TPSA	12
135436526	Undefined_Bond_Stereo_Count	0
71897	Non-hydrogen_Atom_Count	21
6917779	Molecular_Weight	246.35
59717617	Hydrogen_Bond_Acceptor_Count	3
17134	Undefined_Atom_Stereo_Count	0
19944	Hydrogen_Bond_Donor_Count	0
16217634	Molecular_Weight	204.35
2239	Undefined_Bond_Stereo_Count	0
261501	Mono_Isotopic_Weight	261.06709375
176163	Molecular_Weight	394.5
135440068	Hydrogen_Bond_Acceptor_Count	6
20811708	XLogP3-AA	1.6
59630221	XLogP3-AA	2.4
9955951	Molecular_Weight	461.5
69310	Mono_Isotopic_Weight	554.45463969
86834	Isotope_Atom_Count	0
1301	Undefined_Bond_Stereo_Count	0
57403867	Hydrogen_Bond_Acceptor_Count	10
449223	Molecular_Weight	431.6
151014	Covalent_Unit_Count	1
1712094	TPSA	47.9
23687713	Covalent_Unit_Count	4
7977	Defined_Bond_Stereo_Count	0
688451	Molecular_Weight	236.31
73922	Exact_Mass	257.95277
448580	Total_Formal_Charge	0
4595	Undefined_Bond_Stereo_Count	0
7557	Exact_Mass	146.073164938
6927356	Defined_Bond_Stereo_Count	0
90707288	TPSA	26
5352621	Molecular_Weight	277.4
32698	Non-hydrogen_Atom_Count	21
10034991	Rotatable_Bond_Count	3
4290	Molecular_Weight	308.33
523251	XLogP3-AA	1.4
71395877	XLogP3-AA	2.2
87468828	Total_Formal_Charge	0
9538	Mono_Isotopic_Weight	174.141993387
117890905	Structure_Complexity	113
70693116	Non-hydrogen_Atom_Count	31
56673241	XLogP3-AA	2.8
53248849	Total_Formal_Charge	0
72165	Defined_Atom_Stereo_Count	2
9818540	Tautomer_Count	3
52987927	Hydrogen_Bond_Donor_Count	2
817	Molecular_Weight	238.19
37020	Total_Formal_Charge	0
60121	Undefined_Atom_Stereo_Count	0
135510215	Hydrogen_Bond_Acceptor_Count	5
2490	Rotatable_Bond_Count	7
131869249	Hydrogen_Bond_Donor_Count	0
549318	Hydrogen_Bond_Acceptor_Count	1
10267079	Undefined_Bond_Stereo_Count	0
71094775	Non-hydrogen_Atom_Count	23
6067	Molecular_Weight	340.5
174174	Molecular_Weight	289.4
54848	Undefined_Bond_Stereo_Count	0
62209	Structure_Complexity	152
91655	Tautomer_Count	1
5423	Hydrogen_Bond_Donor_Count	2
20087060	Hydrogen_Bond_Acceptor_Count	3
3033521	Total_Formal_Charge	0
53384391	Exact_Mass	1456.4334786
163090692	Rotatable_Bond_Count	11
23385063	Isotope_Atom_Count	0
36382	Rotatable_Bond_Count	5
444679	Total_Formal_Charge	0
15106	TPSA	38
488	TPSA	201
113917	Non-hydrogen_Atom_Count	23
65715	Isotope_Atom_Count	0
76960246	Molecular_Weight	449.16
132469488	Undefined_Atom_Stereo_Count	9
69833	Exact_Mass	114.104465066
33166	Total_Formal_Charge	0
180098	Tautomer_Count	18
443013	XLogP3	2
6983	Total_Formal_Charge	0
35384	Defined_Bond_Stereo_Count	0
9571009	Defined_Atom_Stereo_Count	0
52945780	Hydrogen_Bond_Donor_Count	3
8124	Exact_Mass	162.0811428
10912274	Non-hydrogen_Atom_Count	14
40605	TPSA	163
23355	Defined_Atom_Stereo_Count	0
25151352	Defined_Bond_Stereo_Count	0
54388248	Mono_Isotopic_Weight	112.088815002
2777982	Tautomer_Count	3
2779124	Exact_Mass	113.084063974
193001	Covalent_Unit_Count	1
76507	XLogP3-AA	0
96373	Rotatable_Bond_Count	2
6604910	Hydrogen_Bond_Acceptor_Count	3
7911	Covalent_Unit_Count	1
20219	Undefined_Atom_Stereo_Count	0
11601	Structure_Complexity	29.3
8197	Defined_Atom_Stereo_Count	0
78484	Hydrogen_Bond_Acceptor_Count	1
25271901	Undefined_Bond_Stereo_Count	0
6610296	TPSA	279
11499245	Exact_Mass	152.0444878
101621557	Hydrogen_Bond_Acceptor_Count	3
12628168	Structure_Complexity	118
69663	Non-hydrogen_Atom_Count	6
60150185	Isotope_Atom_Count	0
795875	Molecular_Weight	340.22
83003418	Undefined_Bond_Stereo_Count	0
16654936	Hydrogen_Bond_Donor_Count	5
681963	Molecular_Weight	257.33
4932	Defined_Bond_Stereo_Count	0
21916	Non-hydrogen_Atom_Count	23
11208660	Undefined_Bond_Stereo_Count	0
14924483	Rotatable_Bond_Count	6
48368	Molecular_Weight	448.5
15951484	Defined_Atom_Stereo_Count	0
77808	Defined_Bond_Stereo_Count	0
181287	XLogP3-AA	1.3
64108	Isotope_Atom_Count	0
38089	Non-hydrogen_Atom_Count	21
17148	Isotope_Atom_Count	0
57394197	TPSA	77.6
66624434	Hydrogen_Bond_Acceptor_Count	4
46225600	Hydrogen_Bond_Donor_Count	17
528407	Isotope_Atom_Count	0
6100671	Exact_Mass	326.199428076
22508510	Non-hydrogen_Atom_Count	8
16211009	TPSA	86
4643	Total_Formal_Charge	1
11561779	Defined_Atom_Stereo_Count	0
13654	TPSA	26.3
102492967	Hydrogen_Bond_Acceptor_Count	8
15301	Isotope_Atom_Count	0
83952	Defined_Bond_Stereo_Count	0
34698	Covalent_Unit_Count	1
92093	Undefined_Atom_Stereo_Count	0
66259	Hydrogen_Bond_Acceptor_Count	2
13344	Exact_Mass	305.8946469
12441297	Covalent_Unit_Count	1
11164	Rotatable_Bond_Count	1
14379827	Isotope_Atom_Count	0
129848458	Total_Formal_Charge	0
644113	Isotope_Atom_Count	0
71771808	Structure_Complexity	382
71742706	Covalent_Unit_Count	1
13314	Total_Formal_Charge	0
20666035	TPSA	34.1
1878	Exact_Mass	370.17802393
13238893	Defined_Atom_Stereo_Count	0
56963011	Total_Formal_Charge	0
520277	Undefined_Atom_Stereo_Count	0
44419235	Mono_Isotopic_Weight	341.11979803
21805653	Structure_Complexity	72.9
135484551	Isotope_Atom_Count	0
10997012	Molecular_Weight	118.13
6114	Hydrogen_Bond_Donor_Count	0
625239	Molecular_Weight	285.3
319954	Defined_Bond_Stereo_Count	0
122164129	Non-hydrogen_Atom_Count	8
857	Total_Formal_Charge	0
12561969	XLogP3-AA	1.4
73631	Covalent_Unit_Count	1
439213	Covalent_Unit_Count	1
55286252	Non-hydrogen_Atom_Count	10
1549	Isotope_Atom_Count	0
56659	Total_Formal_Charge	0
90654313	Undefined_Atom_Stereo_Count	0
4259	Undefined_Atom_Stereo_Count	2
123565918	Isotope_Atom_Count	0
5230	Rotatable_Bond_Count	3
81766	XLogP3-AA	0.8
8333	Covalent_Unit_Count	1
3110	Undefined_Atom_Stereo_Count	0
49426	Rotatable_Bond_Count	8
53432	TPSA	15.6
3222	Isotope_Atom_Count	0
46187519	XLogP3-AA	4.6
398745	Defined_Bond_Stereo_Count	0
18732336	Defined_Bond_Stereo_Count	0
99456	Rotatable_Bond_Count	0
9821849	Defined_Atom_Stereo_Count	6
13019	Defined_Atom_Stereo_Count	0
71731823	Undefined_Bond_Stereo_Count	0
565903	Undefined_Bond_Stereo_Count	0
6539026	Hydrogen_Bond_Acceptor_Count	8
6575	Covalent_Unit_Count	1
9834129	Non-hydrogen_Atom_Count	12
13031981	Undefined_Atom_Stereo_Count	1
13232	Defined_Bond_Stereo_Count	0
119086017	Rotatable_Bond_Count	1
308140	Exact_Mass	374.07903816
5770	Hydrogen_Bond_Acceptor_Count	10
137347968	Undefined_Bond_Stereo_Count	0
132941102	Undefined_Bond_Stereo_Count	0
56682220	Hydrogen_Bond_Acceptor_Count	5
156615593	TPSA	110
656743	Non-hydrogen_Atom_Count	28
99828	Molecular_Weight	236.3
89055	Isotope_Atom_Count	0
10466948	TPSA	81.6
129859050	Undefined_Atom_Stereo_Count	1
2764407	Total_Formal_Charge	0
11243969	Hydrogen_Bond_Acceptor_Count	4
13529	Covalent_Unit_Count	1
59706	Mono_Isotopic_Weight	343.21474379
89399997	Defined_Bond_Stereo_Count	0
22020761	Defined_Bond_Stereo_Count	0
12668	Undefined_Bond_Stereo_Count	3
3048	Covalent_Unit_Count	1
91031492	TPSA	59.3
37511	Mono_Isotopic_Weight	103.099714038
71312306	Rotatable_Bond_Count	0
54692950	TPSA	194
118988145	Total_Formal_Charge	0
5767	Molecular_Weight	376.5
74944	Hydrogen_Bond_Donor_Count	0
2724032	Structure_Complexity	191
74682	Undefined_Atom_Stereo_Count	0
122767	Mono_Isotopic_Weight	287.07834094
78723	Rotatable_Bond_Count	3
11640298	Hydrogen_Bond_Acceptor_Count	5
7021156	Rotatable_Bond_Count	4
49867704	Hydrogen_Bond_Donor_Count	2
139444	Total_Formal_Charge	0
118360945	XLogP3-AA	1.2
5464084	Tautomer_Count	1
67807	Defined_Atom_Stereo_Count	0
55286731	Total_Formal_Charge	0
22020033	XLogP3-AA	0.6
56518	Defined_Bond_Stereo_Count	0
656909	Molecular_Weight	308.44
91819969	Mono_Isotopic_Weight	923.48784986
5062	Mono_Isotopic_Weight	420.14203234
2582	Defined_Bond_Stereo_Count	0
12349471	XLogP3-AA	0.8
7571	Rotatable_Bond_Count	4
58887274	Hydrogen_Bond_Donor_Count	1
19188	Covalent_Unit_Count	1
20266	Undefined_Bond_Stereo_Count	0
9892539	Defined_Atom_Stereo_Count	0
9889168	Hydrogen_Bond_Donor_Count	0
522086	TPSA	20.2
448965	Undefined_Atom_Stereo_Count	0
113027	Undefined_Bond_Stereo_Count	0
7761	Total_Formal_Charge	0
155804760	Defined_Atom_Stereo_Count	0
131839562	Undefined_Atom_Stereo_Count	2
10288191	TPSA	88.4
3064674	Non-hydrogen_Atom_Count	26
71191	Total_Formal_Charge	0
875202	Defined_Atom_Stereo_Count	0
158371	Defined_Bond_Stereo_Count	0
71587201	Undefined_Bond_Stereo_Count	0
44525553	Molecular_Weight	370.4
348253	Rotatable_Bond_Count	2
200638	Total_Formal_Charge	0
37983	Total_Formal_Charge	0
135569018	Undefined_Bond_Stereo_Count	0
441243	Undefined_Bond_Stereo_Count	0
119432	Structure_Complexity	0
135413511	Hydrogen_Bond_Donor_Count	1
5289396	Defined_Atom_Stereo_Count	16
21542775	TPSA	45.7
88483	Mono_Isotopic_Weight	115.063328530
76507	Undefined_Bond_Stereo_Count	0
6324604	Defined_Bond_Stereo_Count	1
49855250	Hydrogen_Bond_Donor_Count	2
51017507	Defined_Bond_Stereo_Count	1
11992	Undefined_Atom_Stereo_Count	0
78412	Tautomer_Count	1
6436055	Exact_Mass	453.07767569
141487201	Undefined_Atom_Stereo_Count	1
10017019	Defined_Bond_Stereo_Count	0
38253	Exact_Mass	285.935512
129887798	TPSA	32.3
135398593	Exact_Mass	252.08585488
91666323	Exact_Mass	216.02459690
632835	XLogP3-AA	2.7
12487262	Hydrogen_Bond_Donor_Count	1
54595803	Covalent_Unit_Count	1
6847	Hydrogen_Bond_Acceptor_Count	2
9578	TPSA	0
14782182	Undefined_Atom_Stereo_Count	0
2899204	Molecular_Weight	357.24
533427	Isotope_Atom_Count	0
42540	Molecular_Weight	390.9
813505	Mono_Isotopic_Weight	277.0254188
3321360	Structure_Complexity	149
1482	Rotatable_Bond_Count	4
124019740	Covalent_Unit_Count	1
13104807	Rotatable_Bond_Count	2
10909503	Molecular_Weight	100.16
13166	Mono_Isotopic_Weight	126.104465066
23521244	Structure_Complexity	78
54460807	XLogP3-AA	1.3
54705095	Defined_Atom_Stereo_Count	6
409548	Total_Formal_Charge	0
49865972	Undefined_Atom_Stereo_Count	0
4931	Rotatable_Bond_Count	3
107676	Undefined_Atom_Stereo_Count	0
11459006	Undefined_Atom_Stereo_Count	0
5288615	Defined_Atom_Stereo_Count	1
85942939	Defined_Atom_Stereo_Count	0
6918126	Undefined_Atom_Stereo_Count	0
97234	Mono_Isotopic_Weight	163.038176411
46936900	Defined_Atom_Stereo_Count	3
9886	Molecular_Weight	144.9641810
21792546	Rotatable_Bond_Count	4
71583604	Rotatable_Bond_Count	5
60574	Isotope_Atom_Count	0
10307853	Total_Formal_Charge	0
14909248	Hydrogen_Bond_Acceptor_Count	1
91556	Defined_Atom_Stereo_Count	0
23199087	Exact_Mass	92.037448136
91933514	Structure_Complexity	3700
42602351	Covalent_Unit_Count	1
12750	Rotatable_Bond_Count	0
1923	Exact_Mass	145.052763847
44195064	Structure_Complexity	213
36186	Rotatable_Bond_Count	1
16473	Undefined_Atom_Stereo_Count	0
9885850	Exact_Mass	371.9538468
88598	Isotope_Atom_Count	0
139771583	Undefined_Bond_Stereo_Count	0
136870	Hydrogen_Bond_Acceptor_Count	0
12964	Structure_Complexity	84.2
797998	Isotope_Atom_Count	0
9778	TPSA	0
3976	Hydrogen_Bond_Acceptor_Count	4
59983745	Hydrogen_Bond_Acceptor_Count	1
93847	Hydrogen_Bond_Donor_Count	0
12271341	Covalent_Unit_Count	1
18673160	Undefined_Bond_Stereo_Count	0
117721	Total_Formal_Charge	0
11636816	Hydrogen_Bond_Donor_Count	1
46738768	TPSA	35.5
136893	Covalent_Unit_Count	1
11082	Molecular_Weight	216.26
25293	Defined_Atom_Stereo_Count	0
550206	TPSA	45.5
27561	Defined_Bond_Stereo_Count	0
21590560	Covalent_Unit_Count	1
6102761	Defined_Atom_Stereo_Count	3
9800068	Covalent_Unit_Count	2
9548801	Total_Formal_Charge	0
78802	Isotope_Atom_Count	0
68156	Covalent_Unit_Count	1
55285439	Mono_Isotopic_Weight	99.068413911
2348	XLogP3	0.9
3048339	Non-hydrogen_Atom_Count	17
66137	TPSA	0
119904	Exact_Mass	231.851285
12472	Defined_Atom_Stereo_Count	0
657690	Undefined_Atom_Stereo_Count	0
139585852	Hydrogen_Bond_Donor_Count	0
65028	Undefined_Bond_Stereo_Count	0
688492	XLogP3-AA	0.5
137829	Isotope_Atom_Count	0
3653	Defined_Bond_Stereo_Count	0
133665799	TPSA	40.5
133679779	Non-hydrogen_Atom_Count	8
44348524	Mono_Isotopic_Weight	416.32904526
21766867	Hydrogen_Bond_Donor_Count	0
9954083	XLogP3	4.5
9347	Hydrogen_Bond_Acceptor_Count	4
64992139	Rotatable_Bond_Count	1
54126052	Structure_Complexity	65.1
44480399	Total_Formal_Charge	0
74626	Molecular_Weight	122.12
439377	Exact_Mass	161.06880783
82938	Non-hydrogen_Atom_Count	3
89033918	Molecular_Weight	108.10
21694866	Defined_Atom_Stereo_Count	0
436515	Exact_Mass	367.04331
23689980	Undefined_Bond_Stereo_Count	0
21617086	TPSA	50.1
442348	Covalent_Unit_Count	1
54480591	Exact_Mass	94.078250319
34757	Hydrogen_Bond_Donor_Count	1
54169757	Mono_Isotopic_Weight	120.04225873
261000	Hydrogen_Bond_Donor_Count	1
133561657	Structure_Complexity	1040
37274	Isotope_Atom_Count	0
19993419	Undefined_Atom_Stereo_Count	1
16133838	Structure_Complexity	6820
6617	XLogP3-AA	1.8
135438121	Tautomer_Count	5
54445182	Defined_Bond_Stereo_Count	0
14018	Undefined_Atom_Stereo_Count	0
519793	Isotope_Atom_Count	0
93480	Isotope_Atom_Count	0
133057415	Hydrogen_Bond_Acceptor_Count	3
1479277	Defined_Bond_Stereo_Count	0
37890	Defined_Bond_Stereo_Count	0
10197650	Total_Formal_Charge	0
77058	Non-hydrogen_Atom_Count	7
101610369	Total_Formal_Charge	0
44339135	Hydrogen_Bond_Donor_Count	4
71312117	Molecular_Weight	393.5
53906657	Exact_Mass	100.052429494
129027658	Structure_Complexity	103
5424	Covalent_Unit_Count	1
28140	Defined_Atom_Stereo_Count	0
5280360	Defined_Bond_Stereo_Count	2
46926544	Molecular_Weight	380.4
10964334	Structure_Complexity	2320
129627816	Undefined_Bond_Stereo_Count	0
54572627	Rotatable_Bond_Count	2
139589209	Defined_Bond_Stereo_Count	5
13054977	Exact_Mass	109.063997236
135509079	Undefined_Bond_Stereo_Count	0
10459820	Molecular_Weight	536.5
5964	Hydrogen_Bond_Donor_Count	0
21490219	Rotatable_Bond_Count	1
393405	Defined_Bond_Stereo_Count	0
291133	Hydrogen_Bond_Acceptor_Count	3
135465076	Covalent_Unit_Count	2
13035120	Total_Formal_Charge	0
12435	Tautomer_Count	2
129827902	TPSA	609
76292	Hydrogen_Bond_Acceptor_Count	2
77241	Rotatable_Bond_Count	3
101626738	Defined_Atom_Stereo_Count	6
7023411	Structure_Complexity	101
71438255	Defined_Bond_Stereo_Count	0
65667	Total_Formal_Charge	0
22986754	Undefined_Atom_Stereo_Count	2
12256	Covalent_Unit_Count	1
60838	Rotatable_Bond_Count	5
68163	Covalent_Unit_Count	1
6471	Total_Formal_Charge	0
594781	Isotope_Atom_Count	0
1084	Defined_Bond_Stereo_Count	0
13224	Non-hydrogen_Atom_Count	12
1712010	Total_Formal_Charge	0
16659841	Hydrogen_Bond_Acceptor_Count	8
80528	Molecular_Weight	128.56
86830	Total_Formal_Charge	1
11704625	Molecular_Weight	428.5
68604	TPSA	78.3
6145	XLogP3	0.8
14912114	Undefined_Bond_Stereo_Count	0
10061	Molecular_Weight	386.5
59761113	Non-hydrogen_Atom_Count	7
131845588	Rotatable_Bond_Count	0
69100	Hydrogen_Bond_Acceptor_Count	2
878	Molecular_Weight	48.11
72276	XLogP3	0.4
21079839	Total_Formal_Charge	0
129694674	Undefined_Atom_Stereo_Count	0
67805120	Hydrogen_Bond_Acceptor_Count	0
129854350	Isotope_Atom_Count	0
101944071	Mono_Isotopic_Weight	345.0759302
657308	Defined_Atom_Stereo_Count	2
91465	Molecular_Weight	388.7
12277679	Rotatable_Bond_Count	2
1189	TPSA	146
138991760	Covalent_Unit_Count	1
521300	Structure_Complexity	49.5
19969	Defined_Bond_Stereo_Count	0
158638	Hydrogen_Bond_Acceptor_Count	5
12209629	Exact_Mass	127.099714038
643990	Molecular_Weight	820.7
16214946	XLogP3-AA	4.5
89456730	Covalent_Unit_Count	1
5311053	Mono_Isotopic_Weight	424.1652663
616632	Non-hydrogen_Atom_Count	18
13694	Exact_Mass	212.0392780
894278	Undefined_Bond_Stereo_Count	0
10464328	Structure_Complexity	137
27501	Total_Formal_Charge	0
60006708	TPSA	21.6
58051	Hydrogen_Bond_Acceptor_Count	4
53325875	Mono_Isotopic_Weight	412.0606145
11883891	Non-hydrogen_Atom_Count	13
116842253	Mono_Isotopic_Weight	109.089149355
70933	Defined_Bond_Stereo_Count	0
91353581	Non-hydrogen_Atom_Count	8
96034	Hydrogen_Bond_Acceptor_Count	1
87390140	Hydrogen_Bond_Donor_Count	1
59295958	Isotope_Atom_Count	0
33606	Covalent_Unit_Count	1
11073371	Exact_Mass	110.073164938
23685849	Hydrogen_Bond_Acceptor_Count	5
20145495	Rotatable_Bond_Count	2
53326689	Hydrogen_Bond_Acceptor_Count	5
68078	Isotope_Atom_Count	0
14308604	Total_Formal_Charge	0
79003661	Defined_Bond_Stereo_Count	0
21630	Covalent_Unit_Count	1
34636	Hydrogen_Bond_Acceptor_Count	5
16682993	Defined_Atom_Stereo_Count	0
243274	Covalent_Unit_Count	1
94306	Molecular_Weight	154.16
546877	Molecular_Weight	103.16
54046	XLogP3-AA	2.8
3025961	XLogP3-AA	3.3
38771	Non-hydrogen_Atom_Count	14
46244454	XLogP3-AA	2.1
752646	Undefined_Atom_Stereo_Count	0
138394156	Isotope_Atom_Count	0
14795102	Hydrogen_Bond_Donor_Count	1
69216	Isotope_Atom_Count	0
14805639	Total_Formal_Charge	0
21868057	Mono_Isotopic_Weight	96.093900383
71449750	Structure_Complexity	726
13302066	TPSA	40.5
59018485	Undefined_Bond_Stereo_Count	0
24838347	Isotope_Atom_Count	0
6828291	Total_Formal_Charge	0
1551553	XLogP3-AA	0.3
58357553	Undefined_Bond_Stereo_Count	0
50360	Exact_Mass	213.078978594
5289501	XLogP3-AA	7.5
768325	Structure_Complexity	269
9420	Defined_Atom_Stereo_Count	0
444746	Undefined_Atom_Stereo_Count	0
124298532	Structure_Complexity	382
65108	Structure_Complexity	274
11829369	Hydrogen_Bond_Donor_Count	0
141993	Total_Formal_Charge	0
151348	Defined_Atom_Stereo_Count	0
139074319	Mono_Isotopic_Weight	455.19317399
1437819	TPSA	37.4
26068	Hydrogen_Bond_Donor_Count	1
94647	TPSA	12.9
11126249	Mono_Isotopic_Weight	124.088815002
6489	XLogP3	2.3
146681255	Isotope_Atom_Count	0
89545750	Defined_Bond_Stereo_Count	5
14786268	Structure_Complexity	94.7
57401296	Molecular_Weight	428.6
19040543	Defined_Bond_Stereo_Count	0
24781	Total_Formal_Charge	0
22185288	Isotope_Atom_Count	0
104975	Non-hydrogen_Atom_Count	15
44474	Undefined_Atom_Stereo_Count	2
90722224	Covalent_Unit_Count	1
10355488	Rotatable_Bond_Count	1
60196361	TPSA	16.1
62779	Rotatable_Bond_Count	1
20033044	Defined_Atom_Stereo_Count	0
12054557	Total_Formal_Charge	0
5284580	Hydrogen_Bond_Donor_Count	7
92363	Structure_Complexity	136
137944176	Structure_Complexity	96.3
728	Mono_Isotopic_Weight	251.883389
3388301	Molecular_Weight	220.03
15535273	Undefined_Atom_Stereo_Count	0
70694239	Rotatable_Bond_Count	4
55067	Molecular_Weight	262.8
446600	Undefined_Bond_Stereo_Count	0
87282052	Molecular_Weight	103.08
4253	Covalent_Unit_Count	1
25162926	Rotatable_Bond_Count	6
613	Molecular_Weight	867.6
5930	Hydrogen_Bond_Donor_Count	6
158144361	Total_Formal_Charge	0
84166	Hydrogen_Bond_Donor_Count	0
139070837	Undefined_Atom_Stereo_Count	0
16058637	Isotope_Atom_Count	0
25050	Rotatable_Bond_Count	1
8063338	Tautomer_Count	1
5281899	Total_Formal_Charge	0
218024	Isotope_Atom_Count	0
3016754	Rotatable_Bond_Count	7
91886115	Structure_Complexity	469
2791	Hydrogen_Bond_Acceptor_Count	6
123452974	Total_Formal_Charge	0
156326	Structure_Complexity	363
74995	Rotatable_Bond_Count	0
10263	Defined_Bond_Stereo_Count	0
444200	Exact_Mass	164.06847348
57892450	Hydrogen_Bond_Donor_Count	1
123156	Isotope_Atom_Count	0
4996851	Hydrogen_Bond_Donor_Count	2
3081938	Structure_Complexity	417
28500	Total_Formal_Charge	0
121207368	TPSA	29.1
135532928	Non-hydrogen_Atom_Count	10
3033953	Defined_Bond_Stereo_Count	0
88548120	Undefined_Atom_Stereo_Count	0
564206	Isotope_Atom_Count	0
69862751	Undefined_Bond_Stereo_Count	0
21879777	Covalent_Unit_Count	1
83864197	Total_Formal_Charge	0
14868106	Isotope_Atom_Count	0
84788	Isotope_Atom_Count	0
10286159	Hydrogen_Bond_Acceptor_Count	3
2783363	Undefined_Bond_Stereo_Count	0
71709	Defined_Atom_Stereo_Count	0
9794218	TPSA	54
154354742	Undefined_Bond_Stereo_Count	0
643587	Defined_Bond_Stereo_Count	0
89767	TPSA	129
6708701	Undefined_Atom_Stereo_Count	2
89053261	Defined_Atom_Stereo_Count	0
1341	Mono_Isotopic_Weight	378.24062418
9843640	Total_Formal_Charge	0
11108856	XLogP3-AA	2.5
10133975	Non-hydrogen_Atom_Count	28
69851796	Covalent_Unit_Count	1
10096946	Mono_Isotopic_Weight	486.1128541
92843	Defined_Atom_Stereo_Count	1
25050	Undefined_Bond_Stereo_Count	0
14626857	Defined_Bond_Stereo_Count	0
11620055	Molecular_Weight	487.0
3033332	Undefined_Atom_Stereo_Count	0
55855	Defined_Atom_Stereo_Count	3
73030	Isotope_Atom_Count	0
70686822	Covalent_Unit_Count	1
5459845	Hydrogen_Bond_Donor_Count	4
8005	Undefined_Bond_Stereo_Count	0
20491	XLogP3	0.5
83952	Isotope_Atom_Count	0
22164	Molecular_Weight	208.26
14946	Defined_Atom_Stereo_Count	2
59107469	Defined_Atom_Stereo_Count	0
162639143	Covalent_Unit_Count	1
22386467	Mono_Isotopic_Weight	418.051880
11840920	Isotope_Atom_Count	0
18542	Defined_Atom_Stereo_Count	0
219704	Hydrogen_Bond_Donor_Count	1
21752	Covalent_Unit_Count	1
20690188	Defined_Bond_Stereo_Count	0
699572	Exact_Mass	330.0771200
71361084	Hydrogen_Bond_Donor_Count	1
66296	Non-hydrogen_Atom_Count	7
265810	Defined_Atom_Stereo_Count	0
5709222	Covalent_Unit_Count	1
5284572	Defined_Atom_Stereo_Count	0
13982269	Undefined_Bond_Stereo_Count	0
3164136	Covalent_Unit_Count	1
11289	Structure_Complexity	442
9643	Molecular_Weight	232.94
158343497	Defined_Bond_Stereo_Count	0
84647662	Defined_Atom_Stereo_Count	0
135923480	Isotope_Atom_Count	0
131801109	Structure_Complexity	1310
3780	Non-hydrogen_Atom_Count	16
23541	Hydrogen_Bond_Acceptor_Count	4
18447	TPSA	40
40537360	Total_Formal_Charge	0
84715993	TPSA	49.8
590596	Undefined_Bond_Stereo_Count	0
66908038	Undefined_Atom_Stereo_Count	3
44599828	Hydrogen_Bond_Acceptor_Count	4
12358851	Exact_Mass	243.08552052
214347	Structure_Complexity	452
16116961	Non-hydrogen_Atom_Count	35
12441662	TPSA	20.2
5377793	Mono_Isotopic_Weight	268.121177757
41990	Tautomer_Count	4
95308	Isotope_Atom_Count	0
9020	Non-hydrogen_Atom_Count	10
87898	Molecular_Weight	223.14
17354	TPSA	52
11953808	Structure_Complexity	1520
439369	TPSA	340
400769	Rotatable_Bond_Count	2
99580	XLogP3-AA	3.1
2267	Defined_Atom_Stereo_Count	0
60203	Structure_Complexity	237
13972130	Structure_Complexity	76.6
11569158	Mono_Isotopic_Weight	477.1567673
135975	Structure_Complexity	413
33038	Structure_Complexity	311
53503	Tautomer_Count	1
13092476	Hydrogen_Bond_Acceptor_Count	2
12576851	Covalent_Unit_Count	1
60873	XLogP3-AA	3.6
25114553	XLogP3-AA	2.4
139077515	Hydrogen_Bond_Donor_Count	4
26888	Undefined_Atom_Stereo_Count	0
12816253	Undefined_Bond_Stereo_Count	0
55	Total_Formal_Charge	0
54125476	Rotatable_Bond_Count	4
70269	Tautomer_Count	9
6316	TPSA	78.1
5231234	Covalent_Unit_Count	1
130150414	Isotope_Atom_Count	0
10621	Structure_Complexity	940
27775	Rotatable_Bond_Count	3
80224	Undefined_Atom_Stereo_Count	0
20387208	Hydrogen_Bond_Acceptor_Count	1
11556711	Rotatable_Bond_Count	20
70023156	Undefined_Atom_Stereo_Count	1
8799	Total_Formal_Charge	0
122235961	Structure_Complexity	65.1
68890784	Isotope_Atom_Count	0
6919170	XLogP3	4.7
36966	Hydrogen_Bond_Acceptor_Count	8
77757	Isotope_Atom_Count	0
21312986	Exact_Mass	112.063662883
13806	Undefined_Bond_Stereo_Count	0
720213	Rotatable_Bond_Count	6
848667	Isotope_Atom_Count	0
186148	Hydrogen_Bond_Acceptor_Count	1
84078	Hydrogen_Bond_Acceptor_Count	7
85979	Undefined_Atom_Stereo_Count	1
141019	Exact_Mass	98.036779430
12276	Hydrogen_Bond_Donor_Count	0
73707487	Total_Formal_Charge	0
572065	Covalent_Unit_Count	1
5284631	Total_Formal_Charge	0
53801928	Total_Formal_Charge	0
14385	Covalent_Unit_Count	1
12543	Undefined_Bond_Stereo_Count	0
16180	Structure_Complexity	189
67330085	TPSA	169
23306082	Structure_Complexity	410
652	Defined_Bond_Stereo_Count	0
50741839	Structure_Complexity	1020
10321331	Structure_Complexity	220
45138674	Defined_Atom_Stereo_Count	1
42334	Undefined_Atom_Stereo_Count	2
9837352	Undefined_Bond_Stereo_Count	0
10230	Rotatable_Bond_Count	2
19070644	Hydrogen_Bond_Donor_Count	0
39752	TPSA	66.1
3034048	Molecular_Weight	325.5
10328	Defined_Bond_Stereo_Count	0
40813	Mono_Isotopic_Weight	272.09094026
53384442	Molecular_Weight	416.4
11655511	XLogP3-AA	2.8
143286	Mono_Isotopic_Weight	95.073499291
71970	Covalent_Unit_Count	1
102614	Undefined_Atom_Stereo_Count	1
124636142	Total_Formal_Charge	0
26191	Molecular_Weight	278.78
9201	Defined_Bond_Stereo_Count	0
449085	Tautomer_Count	1
558363	Defined_Bond_Stereo_Count	0
633526	Isotope_Atom_Count	0
14528851	Molecular_Weight	112.17
604519	Undefined_Bond_Stereo_Count	0
1613	Non-hydrogen_Atom_Count	29
107319	Defined_Bond_Stereo_Count	0
9929430	Covalent_Unit_Count	1
11789141	Undefined_Bond_Stereo_Count	0
75691	Hydrogen_Bond_Donor_Count	0
12749	Tautomer_Count	2
13198341	Hydrogen_Bond_Donor_Count	3
4561	Hydrogen_Bond_Acceptor_Count	2
5417	Hydrogen_Bond_Donor_Count	0
6399027	Exact_Mass	115.026943022
61104	Defined_Bond_Stereo_Count	0
14200416	Defined_Bond_Stereo_Count	0
40685	Tautomer_Count	29
16020006	Undefined_Bond_Stereo_Count	0
67505	XLogP3-AA	1.9
65335	Isotope_Atom_Count	0
53298027	XLogP3	2.7
12285869	Hydrogen_Bond_Acceptor_Count	6
11137427	Defined_Bond_Stereo_Count	0
53847404	Defined_Bond_Stereo_Count	0
81890	Undefined_Atom_Stereo_Count	0
25418	Total_Formal_Charge	0
9887053	Non-hydrogen_Atom_Count	15
18867	TPSA	48.1
12777	Structure_Complexity	120
89875063	Non-hydrogen_Atom_Count	8
439811	Rotatable_Bond_Count	3
81445	Total_Formal_Charge	0
56965681	Undefined_Bond_Stereo_Count	0
6441094	Exact_Mass	1041.58722955
10725321	Rotatable_Bond_Count	2
6973628	Hydrogen_Bond_Donor_Count	0
6603720	Hydrogen_Bond_Acceptor_Count	3
11094575	Defined_Atom_Stereo_Count	0
3059	Undefined_Bond_Stereo_Count	0
33473	Undefined_Atom_Stereo_Count	0
54567	Total_Formal_Charge	0
14815775	Structure_Complexity	133
23366185	Total_Formal_Charge	0
67629	Mono_Isotopic_Weight	236.1707067
36688207	Molecular_Weight	347.5
230976	Total_Formal_Charge	0
4850	XLogP3-AA	1.8
87370	Hydrogen_Bond_Donor_Count	0
67215	Hydrogen_Bond_Donor_Count	0
85178	Molecular_Weight	337.6
23427989	Structure_Complexity	1870
18439449	Mono_Isotopic_Weight	115.063328530
542680	Structure_Complexity	72.1
9903930	XLogP3-AA	2.1
167845	Total_Formal_Charge	0
2161	Isotope_Atom_Count	0
92626	TPSA	20.2
10841	Defined_Atom_Stereo_Count	0
76225552	Total_Formal_Charge	0
534055	Hydrogen_Bond_Donor_Count	1
5320621	Isotope_Atom_Count	0
8195	Non-hydrogen_Atom_Count	13
10378	Exact_Mass	165.042593085
136450	Covalent_Unit_Count	1
661122	Exact_Mass	293.16404563
694647	Hydrogen_Bond_Acceptor_Count	2
22377554	Structure_Complexity	79.1
10047141	Undefined_Bond_Stereo_Count	0
638026	Covalent_Unit_Count	1
82332	Rotatable_Bond_Count	2
55287849	Molecular_Weight	99.13
30545	Non-hydrogen_Atom_Count	21
96522	Rotatable_Bond_Count	1
58173	Hydrogen_Bond_Acceptor_Count	3
231405	Isotope_Atom_Count	0
5486971	Covalent_Unit_Count	1
62016	Rotatable_Bond_Count	14
3083671	Hydrogen_Bond_Donor_Count	2
17497	Defined_Atom_Stereo_Count	0
22672893	Exact_Mass	109.063997236
82607	Undefined_Bond_Stereo_Count	0
441285	Undefined_Bond_Stereo_Count	0
10558590	Exact_Mass	113.084063974
14325613	Defined_Bond_Stereo_Count	0
91414	Covalent_Unit_Count	1
21054637	Defined_Bond_Stereo_Count	0
285666	Tautomer_Count	5
6604889	TPSA	69.2
1761	Undefined_Bond_Stereo_Count	0
60195810	XLogP3-AA	1.2
41322	Defined_Bond_Stereo_Count	0
44310763	Defined_Bond_Stereo_Count	0
445319	Hydrogen_Bond_Acceptor_Count	2
104883	TPSA	0
12561986	Molecular_Weight	92.14
774	Defined_Atom_Stereo_Count	0
4164	Mono_Isotopic_Weight	271.06669983
172288	Hydrogen_Bond_Donor_Count	0
12596294	Defined_Atom_Stereo_Count	0
12209	Structure_Complexity	88.9
10238	Exact_Mass	427.01989983
54603930	Covalent_Unit_Count	2
136965670	Structure_Complexity	1130
18004304	Hydrogen_Bond_Acceptor_Count	3
57441855	Total_Formal_Charge	0
12210218	Hydrogen_Bond_Acceptor_Count	2
57526	Isotope_Atom_Count	0
138059664	Rotatable_Bond_Count	25
657	Hydrogen_Bond_Donor_Count	7
106823823	Mono_Isotopic_Weight	116.083729621
32226	Undefined_Atom_Stereo_Count	0
10409873	Hydrogen_Bond_Acceptor_Count	7
13611188	XLogP3-AA	2
504	Tautomer_Count	5
311434	Undefined_Bond_Stereo_Count	0
157736	Exact_Mass	309.19400834
20325315	XLogP3-AA	0.8
526950	Mono_Isotopic_Weight	110.036779430
135408511	Structure_Complexity	523
33643	Isotope_Atom_Count	0
36209	Total_Formal_Charge	1
12707110	Exact_Mass	85.052763847
69684	Covalent_Unit_Count	1
71449585	Structure_Complexity	611
27350	Defined_Bond_Stereo_Count	0
122174240	Structure_Complexity	529
9549180	Covalent_Unit_Count	1
12663409	Structure_Complexity	70.1
40550	Covalent_Unit_Count	1
163640634	Molecular_Weight	114.15
138106951	Mono_Isotopic_Weight	803.48197664
193956	Tautomer_Count	12
980	Mono_Isotopic_Weight	139.026943022
174042	XLogP3-AA	39.9
65575	TPSA	20.2
51577	Undefined_Bond_Stereo_Count	0
446986	Structure_Complexity	1440
44458746	Isotope_Atom_Count	0
83953	Defined_Bond_Stereo_Count	0
16211986	Rotatable_Bond_Count	1
78323	Defined_Bond_Stereo_Count	0
11423563	Isotope_Atom_Count	0
137735	TPSA	28.7
637146	Rotatable_Bond_Count	1
643990	Structure_Complexity	1320
135445165	Undefined_Atom_Stereo_Count	0
100957201	Isotope_Atom_Count	0
9543528	Isotope_Atom_Count	0
59456120	Hydrogen_Bond_Acceptor_Count	8
3162	Mono_Isotopic_Weight	270.173213330
16627	Rotatable_Bond_Count	4
156460742	Molecular_Weight	117.15
34192	Defined_Atom_Stereo_Count	0
11962143	Undefined_Atom_Stereo_Count	0
107217	Mono_Isotopic_Weight	196.146329876
11582982	XLogP3-AA	3.1
443391	XLogP3-AA	4.1
11040682	Non-hydrogen_Atom_Count	8
441345	TPSA	55.8
2398	Exact_Mass	384.15862589
5702096	Defined_Atom_Stereo_Count	3
7992	Tautomer_Count	1
23151396	Hydrogen_Bond_Donor_Count	2
5709	Total_Formal_Charge	0
90305308	Undefined_Bond_Stereo_Count	0
357	Hydrogen_Bond_Acceptor_Count	0
23675339	Hydrogen_Bond_Acceptor_Count	7
638072	Hydrogen_Bond_Acceptor_Count	0
27435	Mono_Isotopic_Weight	217.07389321
13027232	Defined_Atom_Stereo_Count	0
153874923	Structure_Complexity	90.5
10032582	Covalent_Unit_Count	1
289539	Mono_Isotopic_Weight	113.047678466
9810929	Hydrogen_Bond_Acceptor_Count	9
65404	Rotatable_Bond_Count	7
13694815	Structure_Complexity	96.4
904857	Total_Formal_Charge	0
3279	Undefined_Bond_Stereo_Count	0
3312	Undefined_Bond_Stereo_Count	4
12673114	TPSA	20.2
492	Undefined_Atom_Stereo_Count	0
53322430	Defined_Bond_Stereo_Count	0
13346	Hydrogen_Bond_Acceptor_Count	5
123626	Defined_Atom_Stereo_Count	0
3915	Undefined_Atom_Stereo_Count	2
98627	Total_Formal_Charge	0
2724883	Mono_Isotopic_Weight	215.094628657
221292	TPSA	20.2
129830140	Non-hydrogen_Atom_Count	15
18944758	Undefined_Bond_Stereo_Count	0
71738	Defined_Bond_Stereo_Count	0
4912932	Covalent_Unit_Count	1
44345559	Rotatable_Bond_Count	6
71625548	Rotatable_Bond_Count	10
41206	Defined_Bond_Stereo_Count	0
6604087	Defined_Atom_Stereo_Count	3
134689784	Molecular_Weight	702.9
694052	Defined_Atom_Stereo_Count	1
85743571	Isotope_Atom_Count	0
124604783	Defined_Bond_Stereo_Count	2
13789	Hydrogen_Bond_Acceptor_Count	3
69049742	Undefined_Bond_Stereo_Count	0
11116690	Exact_Mass	182.05831813
4402648	Undefined_Bond_Stereo_Count	0
176158	Molecular_Weight	371.2
21161643	Undefined_Bond_Stereo_Count	0
87089	Exact_Mass	290.153146591
23662512	Covalent_Unit_Count	2
11675994	Exact_Mass	413.19485467
17836	XLogP3	3
5287958	Defined_Atom_Stereo_Count	8
44558863	Isotope_Atom_Count	0
10197619	Non-hydrogen_Atom_Count	6
251070	Tautomer_Count	1
54011	Rotatable_Bond_Count	15
64709	Structure_Complexity	905
134693629	Hydrogen_Bond_Donor_Count	0
26444	Rotatable_Bond_Count	1
11375895	Molecular_Weight	523.8
68648	Total_Formal_Charge	0
116489251	Hydrogen_Bond_Donor_Count	1
11697676	XLogP3-AA	4.2
11296670	Total_Formal_Charge	0
24309	Defined_Bond_Stereo_Count	0
72732	Exact_Mass	242.094294304
117217480	Exact_Mass	114.042927438
19754954	Mono_Isotopic_Weight	100.100048391
13356643	TPSA	20.2
67742	Defined_Bond_Stereo_Count	0
9969573	Structure_Complexity	606
107885	XLogP3	6.3
5779	Total_Formal_Charge	0
5257909	Defined_Bond_Stereo_Count	0
12673316	Covalent_Unit_Count	1
44338587	Covalent_Unit_Count	1
126961192	Rotatable_Bond_Count	11
2467	TPSA	48
3322	Non-hydrogen_Atom_Count	18
44589090	Total_Formal_Charge	0
105031	Structure_Complexity	623
298082	Mono_Isotopic_Weight	112.052429494
6331	Exact_Mass	14.0327803
11338033	Structure_Complexity	479
79606	Covalent_Unit_Count	1
68120	Defined_Atom_Stereo_Count	0
69215	Hydrogen_Bond_Donor_Count	0
9603	Mono_Isotopic_Weight	110.053178385
142775	Hydrogen_Bond_Donor_Count	4
6883	Defined_Atom_Stereo_Count	4
11389368	Hydrogen_Bond_Acceptor_Count	2
87784	Tautomer_Count	1
88481085	Hydrogen_Bond_Donor_Count	3
55284122	Hydrogen_Bond_Acceptor_Count	2
3014106	Hydrogen_Bond_Donor_Count	0
44129648	Rotatable_Bond_Count	6
20696068	Molecular_Weight	102.18
19223	Covalent_Unit_Count	1
19604	Non-hydrogen_Atom_Count	18
11039	Mono_Isotopic_Weight	102.068079557
16129682	Total_Formal_Charge	0
90571	Hydrogen_Bond_Acceptor_Count	3
12217323	Molecular_Weight	168.18
114839	Undefined_Atom_Stereo_Count	0
36084	Hydrogen_Bond_Donor_Count	2
855860	Defined_Bond_Stereo_Count	0
89076189	Non-hydrogen_Atom_Count	8
76280	XLogP3	2.1
137699570	Hydrogen_Bond_Donor_Count	6
84647714	Defined_Atom_Stereo_Count	0
65991760	Undefined_Atom_Stereo_Count	0
46700744	Hydrogen_Bond_Donor_Count	4
45266540	Hydrogen_Bond_Acceptor_Count	23
3877	Tautomer_Count	3
56954881	Mono_Isotopic_Weight	340.16879665
4092621	Hydrogen_Bond_Acceptor_Count	3
126968545	TPSA	37.3
52993227	Hydrogen_Bond_Acceptor_Count	9
13331108	Defined_Atom_Stereo_Count	0
57246909	Total_Formal_Charge	0
11223	Covalent_Unit_Count	2
10220851	Non-hydrogen_Atom_Count	18
12381421	Hydrogen_Bond_Donor_Count	0
54758034	Hydrogen_Bond_Acceptor_Count	5
20931	Mono_Isotopic_Weight	118.099379685
1652	Molecular_Weight	242.23
129627254	Non-hydrogen_Atom_Count	45
8056	Structure_Complexity	17.5
10314851	Rotatable_Bond_Count	6
71311204	Undefined_Bond_Stereo_Count	0
5464097	Exact_Mass	402.21547206
4561	Molecular_Weight	518.8
16220015	Hydrogen_Bond_Donor_Count	1
60919	Isotope_Atom_Count	0
36255	Undefined_Atom_Stereo_Count	0
163792693	Undefined_Bond_Stereo_Count	0
27435	Rotatable_Bond_Count	3
153442	Total_Formal_Charge	0
15920952	Defined_Atom_Stereo_Count	0
12160932	Total_Formal_Charge	0
96004	Undefined_Atom_Stereo_Count	0
129688356	Hydrogen_Bond_Donor_Count	4
22932	XLogP3	7.4
17071	Covalent_Unit_Count	1
156592279	TPSA	145
5324720	Undefined_Atom_Stereo_Count	0
20390093	Hydrogen_Bond_Donor_Count	0
141681	Molecular_Weight	128.05
31193	Exact_Mass	113.903365
16498	Isotope_Atom_Count	0
3032854	Hydrogen_Bond_Acceptor_Count	2
6183357	Tautomer_Count	1001
146156930	Total_Formal_Charge	0
36967	Isotope_Atom_Count	0
136346	TPSA	40.5
54562	Covalent_Unit_Count	1
16850	Rotatable_Bond_Count	0
8739	Undefined_Bond_Stereo_Count	0
3016	Undefined_Atom_Stereo_Count	0
86590530	Hydrogen_Bond_Donor_Count	0
6419912	Hydrogen_Bond_Acceptor_Count	42
91734	TPSA	58.2
5359541	Isotope_Atom_Count	0
8644	Exact_Mass	405.19163936
5881	Undefined_Atom_Stereo_Count	0
102552746	Molecular_Weight	416.6
12724623	Exact_Mass	98.073164938
91878	Isotope_Atom_Count	0
66751	Rotatable_Bond_Count	9
10176672	Rotatable_Bond_Count	1
623849	Isotope_Atom_Count	0
91429	Structure_Complexity	457
81668	Tautomer_Count	1
9547196	Defined_Bond_Stereo_Count	0
3063228	Non-hydrogen_Atom_Count	10
9577221	Undefined_Atom_Stereo_Count	0
8606	Total_Formal_Charge	0
23103	Molecular_Weight	191.23
9255	XLogP3	0.1
12364784	XLogP3-AA	0.7
15590756	Rotatable_Bond_Count	0
16130295	Mono_Isotopic_Weight	6507.0413833
69588	Total_Formal_Charge	0
156970	Undefined_Bond_Stereo_Count	0
5329106	Molecular_Weight	396.5
168707	Undefined_Atom_Stereo_Count	0
80308	TPSA	46.2
47955	Total_Formal_Charge	0
46173365	Structure_Complexity	1120
73265408	Undefined_Bond_Stereo_Count	5
47357	Hydrogen_Bond_Acceptor_Count	4
23725051	Isotope_Atom_Count	0
5352974	Non-hydrogen_Atom_Count	13
14295	XLogP3	2.4
59270	Hydrogen_Bond_Donor_Count	1
17038	Isotope_Atom_Count	0
5311092	Undefined_Bond_Stereo_Count	0
158144361	Non-hydrogen_Atom_Count	7
129734884	Undefined_Bond_Stereo_Count	0
61833	Rotatable_Bond_Count	0
80518	Undefined_Atom_Stereo_Count	0
128907	Undefined_Atom_Stereo_Count	0
6509979	Exact_Mass	809.4480897
15903	Exact_Mass	114.068079557
8248	Molecular_Weight	452.6
165413019	Molecular_Weight	268.23
140607	XLogP3-AA	2.7
694638	Non-hydrogen_Atom_Count	23
24884197	Non-hydrogen_Atom_Count	9
14298876	Hydrogen_Bond_Acceptor_Count	2
102446	TPSA	0
8995	XLogP3	2.6
51082	Undefined_Atom_Stereo_Count	0
611370	Hydrogen_Bond_Acceptor_Count	5
76590	Mono_Isotopic_Weight	239.82440
158553	TPSA	333
601791	XLogP3	4.8
7650	Rotatable_Bond_Count	5
89216	Defined_Atom_Stereo_Count	0
155970341	Undefined_Bond_Stereo_Count	1
59059041	Hydrogen_Bond_Acceptor_Count	3
81183	Non-hydrogen_Atom_Count	15
631837	Rotatable_Bond_Count	6
101658	Defined_Atom_Stereo_Count	0
451187	Mono_Isotopic_Weight	174.131984
91501	Tautomer_Count	1
2773	Molecular_Weight	159.21
11869222	Defined_Bond_Stereo_Count	0
56672297	Defined_Atom_Stereo_Count	0
24941254	Defined_Bond_Stereo_Count	0
5702073	Non-hydrogen_Atom_Count	25
6918580	Isotope_Atom_Count	0
57887199	Total_Formal_Charge	0
8185	Rotatable_Bond_Count	9
60196338	Molecular_Weight	936.0
7417	Structure_Complexity	133
2866	XLogP3	2.9
19693843	Rotatable_Bond_Count	0
168625	Non-hydrogen_Atom_Count	12
69089	Total_Formal_Charge	0
135942119	Exact_Mass	533.98283616
82161	Isotope_Atom_Count	0
426756	Molecular_Weight	371.25
12051	Total_Formal_Charge	0
89150	XLogP3	1.1
429734	Isotope_Atom_Count	0
57449500	Mono_Isotopic_Weight	95.073499291
445621	Molecular_Weight	179.17
87877	Isotope_Atom_Count	0
45095	Exact_Mass	333.0534634
9952	TPSA	29.5
219224	Exact_Mass	113.047678466
97043	Isotope_Atom_Count	0
23276	Undefined_Bond_Stereo_Count	0
179547	Isotope_Atom_Count	0
1811	Hydrogen_Bond_Donor_Count	2
4308	TPSA	75.6
67291675	Defined_Atom_Stereo_Count	0
7254	Non-hydrogen_Atom_Count	9
21719984	Exact_Mass	116.083729621
517361	Exact_Mass	101.1011942
1731	Hydrogen_Bond_Donor_Count	2
14489	Defined_Bond_Stereo_Count	0
123292394	Undefined_Atom_Stereo_Count	2
86922	Defined_Bond_Stereo_Count	0
76658	Structure_Complexity	192
10872638	Undefined_Atom_Stereo_Count	0
520660	Non-hydrogen_Atom_Count	7
148539	TPSA	12.5
24181146	Non-hydrogen_Atom_Count	22
9798547	Structure_Complexity	482
61900360	Rotatable_Bond_Count	1
4447605	Hydrogen_Bond_Acceptor_Count	3
140349	Undefined_Atom_Stereo_Count	0
11903	Defined_Bond_Stereo_Count	0
15286	Defined_Atom_Stereo_Count	0
442294	Mono_Isotopic_Weight	264.13615911
12076	Hydrogen_Bond_Acceptor_Count	5
61510	Isotope_Atom_Count	0
22308	Covalent_Unit_Count	1
9555	Non-hydrogen_Atom_Count	31
8892	Undefined_Bond_Stereo_Count	0
14416477	Defined_Atom_Stereo_Count	0
92550	Tautomer_Count	1
5284341	TPSA	26
59073	Hydrogen_Bond_Acceptor_Count	3
656892	Rotatable_Bond_Count	8
7146288	Structure_Complexity	427
38884	Covalent_Unit_Count	1
610169	TPSA	26
24479	Defined_Bond_Stereo_Count	0
445420	Total_Formal_Charge	0
12300006	Structure_Complexity	1140
9825084	Hydrogen_Bond_Donor_Count	0
6918546	XLogP3-AA	0.8
10273	Rotatable_Bond_Count	2
9847836	XLogP3-AA	6.3
5353	Structure_Complexity	368
662960	Total_Formal_Charge	0
22082536	XLogP3-AA	1.2
17819	Defined_Atom_Stereo_Count	0
67317342	XLogP3-AA	1.3
61100	Undefined_Atom_Stereo_Count	0
55287417	TPSA	42.2
28166	Total_Formal_Charge	0
33934	Total_Formal_Charge	0
5717801	Molecular_Weight	479.8
11344000	XLogP3-AA	0.7
6420040	Structure_Complexity	308
15197399	Defined_Atom_Stereo_Count	0
50896	Defined_Bond_Stereo_Count	0
92943	Defined_Atom_Stereo_Count	1
539001	Exact_Mass	126.02924926
556722	Isotope_Atom_Count	0
155895288	XLogP3-AA	0
62875	Mono_Isotopic_Weight	304.0800974
61900360	Undefined_Bond_Stereo_Count	0
70143	Isotope_Atom_Count	0
130113566	Hydrogen_Bond_Acceptor_Count	2
6336	Tautomer_Count	1
586083	Non-hydrogen_Atom_Count	16
3634	Structure_Complexity	443
126969152	Defined_Bond_Stereo_Count	0
56927690	Defined_Atom_Stereo_Count	0
91298633	Hydrogen_Bond_Donor_Count	1
167724	Tautomer_Count	1
23092834	XLogP3-AA	1.5
17920260	Hydrogen_Bond_Donor_Count	0
19917	Covalent_Unit_Count	1
120081	Mono_Isotopic_Weight	222.06405680
62672	Covalent_Unit_Count	6
165365661	Covalent_Unit_Count	3
647120	Hydrogen_Bond_Acceptor_Count	5
2733525	Exact_Mass	563.25191714
16759310	Defined_Atom_Stereo_Count	0
517859	Isotope_Atom_Count	0
461128	Isotope_Atom_Count	0
53805787	Undefined_Bond_Stereo_Count	0
965784	Hydrogen_Bond_Acceptor_Count	3
53912836	Exact_Mass	99.043261792
4569	Hydrogen_Bond_Acceptor_Count	15
3015210	Hydrogen_Bond_Acceptor_Count	2
9765	Exact_Mass	182.01064
183797	Covalent_Unit_Count	1
439198	Rotatable_Bond_Count	3
431094	Hydrogen_Bond_Acceptor_Count	18
6918485	Covalent_Unit_Count	1
10286834	XLogP3-AA	3.2
37524	Hydrogen_Bond_Donor_Count	2
76958180	Undefined_Bond_Stereo_Count	0
5281525	Hydrogen_Bond_Acceptor_Count	1
58468	Undefined_Bond_Stereo_Count	0
19829703	TPSA	64.2
54582078	Rotatable_Bond_Count	5
141281	Exact_Mass	82.041864811
123178351	Hydrogen_Bond_Acceptor_Count	1
1377	Defined_Atom_Stereo_Count	0
135414248	Structure_Complexity	643
3337411	Exact_Mass	388.09921878
57750391	Undefined_Bond_Stereo_Count	0
119097373	Hydrogen_Bond_Donor_Count	1
11625818	Defined_Atom_Stereo_Count	1
73707	Exact_Mass	575.6805
1013432	Rotatable_Bond_Count	4
2734956	Mono_Isotopic_Weight	159.0450916
87642220	Non-hydrogen_Atom_Count	23
68674	Hydrogen_Bond_Acceptor_Count	4
566032	Non-hydrogen_Atom_Count	12
13639659	Rotatable_Bond_Count	0
91315907	Mono_Isotopic_Weight	97.089149355
3413668	XLogP3-AA	5
404289	Hydrogen_Bond_Acceptor_Count	4
24944555	Defined_Bond_Stereo_Count	0
6787	Covalent_Unit_Count	1
54598431	Hydrogen_Bond_Acceptor_Count	4
8815	Molecular_Weight	148.20
44521016	Rotatable_Bond_Count	7
136171075	Defined_Atom_Stereo_Count	4
86855	Covalent_Unit_Count	1
153400963	Molecular_Weight	98.14
55288479	Undefined_Atom_Stereo_Count	0
73093	Undefined_Atom_Stereo_Count	0
13691769	Total_Formal_Charge	0
8022	Defined_Atom_Stereo_Count	0
101879801	Total_Formal_Charge	0
13117013	Undefined_Atom_Stereo_Count	0
63991	Molecular_Weight	533.5
96509	Isotope_Atom_Count	0
5311333	Defined_Atom_Stereo_Count	33
23971	Hydrogen_Bond_Acceptor_Count	0
14172370	Covalent_Unit_Count	1
8305	Covalent_Unit_Count	1
28284151	Covalent_Unit_Count	1
9829419	Molecular_Weight	529.5
31374	Molecular_Weight	87.12
165363357	Molecular_Weight	1047.2
70500258	Hydrogen_Bond_Acceptor_Count	3
11769408	Rotatable_Bond_Count	4
444234	TPSA	29.9
16058881	Hydrogen_Bond_Donor_Count	1
5558	Covalent_Unit_Count	1
25154714	TPSA	175
27195	Rotatable_Bond_Count	2
171829	Undefined_Atom_Stereo_Count	0
154808064	Isotope_Atom_Count	0
53151	Undefined_Atom_Stereo_Count	0
4219136	Defined_Bond_Stereo_Count	0
143716909	Molecular_Weight	112.17
139031529	XLogP3	0.7
26111	Isotope_Atom_Count	0
90728	Exact_Mass	116.047344113
122844	Exact_Mass	454.34469533
60857	Molecular_Weight	287.36
10364560	XLogP3-AA	2
41536	Hydrogen_Bond_Acceptor_Count	4
161259	Rotatable_Bond_Count	3
1131	Structure_Complexity	413
78160	Defined_Atom_Stereo_Count	0
21651	Hydrogen_Bond_Acceptor_Count	6
155895288	Rotatable_Bond_Count	1
66532	Hydrogen_Bond_Donor_Count	0
5327	Exact_Mass	278.08374688
8753	Mono_Isotopic_Weight	339.2692779
147614	Undefined_Atom_Stereo_Count	0
58488970	Defined_Atom_Stereo_Count	0
4921934	Isotope_Atom_Count	0
7495	Defined_Bond_Stereo_Count	0
56972736	Structure_Complexity	105
6604042	Structure_Complexity	198
129627386	Molecular_Weight	447.4
10176120	Defined_Bond_Stereo_Count	0
45358001	Hydrogen_Bond_Donor_Count	6
40240	Defined_Atom_Stereo_Count	2
13487335	Defined_Atom_Stereo_Count	0
69334516	Covalent_Unit_Count	1
11698194	Hydrogen_Bond_Donor_Count	2
194647	Undefined_Atom_Stereo_Count	8
23555879	Undefined_Bond_Stereo_Count	0
16218742	Covalent_Unit_Count	2
89138978	Defined_Bond_Stereo_Count	0
9852188	Exact_Mass	628.44916039
20084	Tautomer_Count	2
21943991	Undefined_Atom_Stereo_Count	1
177084	XLogP3-AA	2.1
85812	Hydrogen_Bond_Donor_Count	0
22718913	Hydrogen_Bond_Donor_Count	0
54947	Hydrogen_Bond_Donor_Count	2
79036	Mono_Isotopic_Weight	150.104465066
115098	Undefined_Atom_Stereo_Count	0
8229	Isotope_Atom_Count	0
16219010	Molecular_Weight	385.8
16212746	Undefined_Atom_Stereo_Count	0
5377791	Hydrogen_Bond_Acceptor_Count	4
610682	Mono_Isotopic_Weight	210.115698455
76460	Molecular_Weight	715.0
4163	Defined_Bond_Stereo_Count	0
24479	Structure_Complexity	2.8
16129632	Defined_Bond_Stereo_Count	0
71713948	TPSA	101
62738	Isotope_Atom_Count	0
57258462	Defined_Bond_Stereo_Count	0
70687331	Undefined_Bond_Stereo_Count	0
6119	Undefined_Atom_Stereo_Count	0
15738546	Covalent_Unit_Count	1
155803776	Hydrogen_Bond_Acceptor_Count	6
129728843	Hydrogen_Bond_Acceptor_Count	2
36829	Tautomer_Count	1
123468130	Undefined_Bond_Stereo_Count	0
5715107	Defined_Atom_Stereo_Count	0
33137	Isotope_Atom_Count	0
40469377	Total_Formal_Charge	1
11712649	Non-hydrogen_Atom_Count	34
11187581	Non-hydrogen_Atom_Count	25
66587385	Non-hydrogen_Atom_Count	7
84071885	Exact_Mass	116.058577502
9794218	Mono_Isotopic_Weight	200.04081944
54337282	Rotatable_Bond_Count	1
4973027	Hydrogen_Bond_Acceptor_Count	2
14909248	Total_Formal_Charge	0
162290	Non-hydrogen_Atom_Count	46
53825857	Structure_Complexity	68.5
6610296	Hydrogen_Bond_Donor_Count	5
11545	Covalent_Unit_Count	2
20979505	Non-hydrogen_Atom_Count	8
67156338	Covalent_Unit_Count	1
25244520	Defined_Bond_Stereo_Count	0
535111	Molecular_Weight	112.17
13696436	Undefined_Bond_Stereo_Count	0
6323491	Hydrogen_Bond_Acceptor_Count	6
10143016	Total_Formal_Charge	0
549253	Covalent_Unit_Count	1
5487542	Rotatable_Bond_Count	5
7115	TPSA	0
64930	Exact_Mass	639.37711765
13001614	Mono_Isotopic_Weight	115.074561919
593578	Isotope_Atom_Count	0
57400138	Undefined_Bond_Stereo_Count	0
2879	Mono_Isotopic_Weight	108.057514874
18985	Total_Formal_Charge	0
151166	Tautomer_Count	37
25151352	Defined_Atom_Stereo_Count	0
31068	Undefined_Atom_Stereo_Count	1
6764	Defined_Atom_Stereo_Count	0
135505	XLogP3-AA	4.4
91746164	Mono_Isotopic_Weight	559.07167442
5284570	TPSA	49.8
11768544	Undefined_Atom_Stereo_Count	0
59966641	Mono_Isotopic_Weight	416.32904526
54584258	Hydrogen_Bond_Donor_Count	0
44345559	Covalent_Unit_Count	1
47909	Defined_Atom_Stereo_Count	0
443403	Non-hydrogen_Atom_Count	20
67278	Tautomer_Count	1
4146595	Structure_Complexity	169
57438703	Undefined_Atom_Stereo_Count	0
54337282	Undefined_Bond_Stereo_Count	0
3082460	Molecular_Weight	360.31
19911136	Undefined_Bond_Stereo_Count	0
16129710	Structure_Complexity	3980
443404	Molecular_Weight	231.33
24123450	Covalent_Unit_Count	1
23476	Covalent_Unit_Count	4
10909482	Defined_Atom_Stereo_Count	0
26049	Mono_Isotopic_Weight	136.125200510
60975	Isotope_Atom_Count	0
6659	Defined_Atom_Stereo_Count	0
72978296	Hydrogen_Bond_Acceptor_Count	2
14523486	Exact_Mass	406.04159
208901	Non-hydrogen_Atom_Count	28
39484	Rotatable_Bond_Count	1
13610389	Undefined_Bond_Stereo_Count	0
59324	Defined_Bond_Stereo_Count	0
17833	Total_Formal_Charge	0
5484	Structure_Complexity	309
3588	TPSA	118
102004607	Hydrogen_Bond_Donor_Count	17
11431811	Total_Formal_Charge	0
429551	Molecular_Weight	144.17
2218	Undefined_Bond_Stereo_Count	0
9973	Defined_Atom_Stereo_Count	0
158434	Undefined_Bond_Stereo_Count	0
13185	Mono_Isotopic_Weight	258.18310931
449224	Isotope_Atom_Count	0
23674215	Defined_Atom_Stereo_Count	0
80416	Covalent_Unit_Count	2
13785328	XLogP3-AA	3.6
6915836	Structure_Complexity	517
23368	Total_Formal_Charge	0
16051941	Hydrogen_Bond_Acceptor_Count	23
135398596	Defined_Atom_Stereo_Count	3
9794159	TPSA	114
38779	Structure_Complexity	296
73755261	Undefined_Atom_Stereo_Count	1
44560771	Molecular_Weight	362.4
57515833	Isotope_Atom_Count	0
3049698	Non-hydrogen_Atom_Count	21
75641	Non-hydrogen_Atom_Count	15
82261	Covalent_Unit_Count	1
19349	Defined_Atom_Stereo_Count	0
23960	Non-hydrogen_Atom_Count	1
3871454	Structure_Complexity	548
60303	Non-hydrogen_Atom_Count	25
50222	Molecular_Weight	432.5
28144	Total_Formal_Charge	0
117563748	Exact_Mass	98.048012819
140784	TPSA	0
25203894	Undefined_Atom_Stereo_Count	0
5329105	Structure_Complexity	609
87112	TPSA	43.4
71587637	Isotope_Atom_Count	1
45120389	Structure_Complexity	113
126969105	Undefined_Bond_Stereo_Count	0
124918602	Hydrogen_Bond_Acceptor_Count	6
49837892	Total_Formal_Charge	0
441345	Mono_Isotopic_Weight	427.1550360
207292	Tautomer_Count	3
86354	Exact_Mass	333.1607901
9862634	Mono_Isotopic_Weight	221.120449483
5462346	Mono_Isotopic_Weight	477.23626707
44348	Covalent_Unit_Count	1
114812	Undefined_Atom_Stereo_Count	0
6673	Rotatable_Bond_Count	0
8035	Undefined_Bond_Stereo_Count	0
3776	Tautomer_Count	6
126969097	Structure_Complexity	1390
102334657	Non-hydrogen_Atom_Count	33
90803	Isotope_Atom_Count	0
56842070	Undefined_Atom_Stereo_Count	0
15250	Exact_Mass	192.115029749
13238893	Hydrogen_Bond_Donor_Count	0
123304439	Rotatable_Bond_Count	1
60196260	Exact_Mass	305.18383758
68028	TPSA	17.1
41653	Undefined_Atom_Stereo_Count	0
10931	Non-hydrogen_Atom_Count	7
90469695	Hydrogen_Bond_Donor_Count	5
11477652	Undefined_Atom_Stereo_Count	0
10309899	Defined_Bond_Stereo_Count	0
18712663	Tautomer_Count	1
12412244	Undefined_Atom_Stereo_Count	0
118177912	XLogP3-AA	1.4
121207425	Defined_Atom_Stereo_Count	0
3306	Defined_Atom_Stereo_Count	0
10483883	Isotope_Atom_Count	0
5320867	Mono_Isotopic_Weight	324.183778013
121250	Exact_Mass	122.04015073
1736	Hydrogen_Bond_Donor_Count	3
23533635	Structure_Complexity	99.8
22168583	Total_Formal_Charge	0
24963	Tautomer_Count	1
27368	Undefined_Atom_Stereo_Count	1
27941	Hydrogen_Bond_Acceptor_Count	1
70789202	Undefined_Bond_Stereo_Count	0
69627204	Hydrogen_Bond_Donor_Count	0
67214459	Defined_Bond_Stereo_Count	0
76292	Isotope_Atom_Count	0
98053103	Undefined_Bond_Stereo_Count	0
9543090	Isotope_Atom_Count	0
643327	Hydrogen_Bond_Donor_Count	2
154437	Defined_Atom_Stereo_Count	0
106823823	Defined_Bond_Stereo_Count	0
15505	Defined_Atom_Stereo_Count	0
4277	Covalent_Unit_Count	1
24807614	Defined_Bond_Stereo_Count	9
134812477	Structure_Complexity	851
7999	Non-hydrogen_Atom_Count	7
123854	Hydrogen_Bond_Acceptor_Count	14
916113	XLogP3-AA	1.9
9517	Isotope_Atom_Count	0
68263	Undefined_Bond_Stereo_Count	0
11431912	Exact_Mass	495.26208790
6918386	TPSA	109
9938	XLogP3	3.2
40391	Mono_Isotopic_Weight	308.0716407
18689	Defined_Atom_Stereo_Count	0
24759	Rotatable_Bond_Count	12
118701718	TPSA	46.5
57061642	Defined_Bond_Stereo_Count	0
17855362	Hydrogen_Bond_Acceptor_Count	2
4597	Undefined_Bond_Stereo_Count	0
91347456	Undefined_Bond_Stereo_Count	0
3798	Rotatable_Bond_Count	4
51030896	Non-hydrogen_Atom_Count	31
456557	Isotope_Atom_Count	0
87402170	Isotope_Atom_Count	0
5388961	TPSA	171
4692287	Exact_Mass	344.23514488
5361463	Hydrogen_Bond_Acceptor_Count	3
12417	Mono_Isotopic_Weight	86.073164938
87671146	Hydrogen_Bond_Donor_Count	0
24771	Non-hydrogen_Atom_Count	4
15065	Defined_Atom_Stereo_Count	0
62788	Hydrogen_Bond_Donor_Count	4
115227	TPSA	70.2
11404337	Rotatable_Bond_Count	2
26747	Defined_Bond_Stereo_Count	0
6432640	Defined_Atom_Stereo_Count	1
60702533	Covalent_Unit_Count	1
73343	Mono_Isotopic_Weight	164.04419074
6373	XLogP3-AA	1.5
71452602	Covalent_Unit_Count	1
53664307	Mono_Isotopic_Weight	102.079312947
46781343	Total_Formal_Charge	0
48973	Mono_Isotopic_Weight	275.188529040
163050680	Hydrogen_Bond_Acceptor_Count	5
25022340	Molecular_Weight	561.7
10898703	Non-hydrogen_Atom_Count	7
45609	Total_Formal_Charge	0
5311093	Covalent_Unit_Count	1
25791439	Hydrogen_Bond_Donor_Count	5
2724248	Mono_Isotopic_Weight	260.08067248
3000322	Exact_Mass	303.14705815
87592747	Total_Formal_Charge	0
133728	Undefined_Bond_Stereo_Count	0
51576	Structure_Complexity	352
142107	TPSA	20.2
102491	Defined_Bond_Stereo_Count	0
21417244	Covalent_Unit_Count	1
25314	Covalent_Unit_Count	2
43580	Isotope_Atom_Count	0
18329111	Undefined_Atom_Stereo_Count	0
2650	Non-hydrogen_Atom_Count	37
167266	Defined_Bond_Stereo_Count	0
8254	XLogP3-AA	0.1
22591521	Isotope_Atom_Count	0
70309	Non-hydrogen_Atom_Count	12
670359	TPSA	53.5
2449	Covalent_Unit_Count	1
25168854	Mono_Isotopic_Weight	253.02146
22678982	Isotope_Atom_Count	0
5159	Defined_Atom_Stereo_Count	0
95170	Defined_Bond_Stereo_Count	0
8505	Defined_Bond_Stereo_Count	0
7311724	Defined_Atom_Stereo_Count	1
106195	Hydrogen_Bond_Donor_Count	1
92806	Non-hydrogen_Atom_Count	24
143440	Rotatable_Bond_Count	3
99646540	Total_Formal_Charge	0
17461	Hydrogen_Bond_Donor_Count	8
403646	Non-hydrogen_Atom_Count	20
19016756	Total_Formal_Charge	0
9930448	Non-hydrogen_Atom_Count	28
86743193	Hydrogen_Bond_Acceptor_Count	10
76997051	Covalent_Unit_Count	1
99342	TPSA	24.1
62329	Covalent_Unit_Count	1
66565	Defined_Atom_Stereo_Count	0
12037	Undefined_Atom_Stereo_Count	0
705715	Structure_Complexity	381
140523	Covalent_Unit_Count	1
398646	Exact_Mass	226.21574685
90471707	Defined_Bond_Stereo_Count	0
165079254	Hydrogen_Bond_Donor_Count	2
11569	Undefined_Atom_Stereo_Count	0
65492	Defined_Atom_Stereo_Count	1
79081	Total_Formal_Charge	0
472	Hydrogen_Bond_Donor_Count	2
2641	Non-hydrogen_Atom_Count	45
133085	Defined_Atom_Stereo_Count	0
157365551	Molecular_Weight	284.35
12463393	Hydrogen_Bond_Donor_Count	2
5280981	Defined_Atom_Stereo_Count	0
6671	Hydrogen_Bond_Donor_Count	0
6436860	Hydrogen_Bond_Donor_Count	1
164685	Isotope_Atom_Count	0
75322	Defined_Atom_Stereo_Count	0
57445155	Total_Formal_Charge	0
5354495	Non-hydrogen_Atom_Count	1
12029691	XLogP3-AA	4.9
15269993	Isotope_Atom_Count	0
3374	Hydrogen_Bond_Acceptor_Count	5
45934481	Undefined_Bond_Stereo_Count	0
13418386	Molecular_Weight	112.17
66053	Defined_Bond_Stereo_Count	0
165154847	Exact_Mass	112.052429494
77797	Undefined_Atom_Stereo_Count	0
979919	Hydrogen_Bond_Donor_Count	2
9650	Exact_Mass	260.11609238
66793	XLogP3	1.9
156963402	Exact_Mass	838.29831089
3457331	Undefined_Bond_Stereo_Count	0
97740	Non-hydrogen_Atom_Count	16
9919942	Rotatable_Bond_Count	28
37034	Hydrogen_Bond_Acceptor_Count	0
118701498	Hydrogen_Bond_Donor_Count	2
2819635	Hydrogen_Bond_Donor_Count	0
54746485	Total_Formal_Charge	0
22385449	Non-hydrogen_Atom_Count	7
25137678	Tautomer_Count	1
6924	Hydrogen_Bond_Acceptor_Count	3
61305	Total_Formal_Charge	0
82755	Defined_Bond_Stereo_Count	0
2019	Undefined_Bond_Stereo_Count	0
41958	Covalent_Unit_Count	1
96380	Mono_Isotopic_Weight	203.094628657
84003	Undefined_Bond_Stereo_Count	0
17995824	Undefined_Atom_Stereo_Count	0
2016	Undefined_Bond_Stereo_Count	0
131731052	Isotope_Atom_Count	0
9023	Non-hydrogen_Atom_Count	6
5353424	Total_Formal_Charge	0
444718	Isotope_Atom_Count	0
444013	Molecular_Weight	661.8
86222	Non-hydrogen_Atom_Count	26
9865929	Hydrogen_Bond_Donor_Count	2
11598	Total_Formal_Charge	0
3000241	Isotope_Atom_Count	0
42928	Undefined_Bond_Stereo_Count	1
9794056	Mono_Isotopic_Weight	181.06674293
76965484	Undefined_Atom_Stereo_Count	0
18424867	Exact_Mass	101.022526347
188350	TPSA	132
86890	Non-hydrogen_Atom_Count	60
41515	XLogP3-AA	3.6
71011	Total_Formal_Charge	0
295258	Isotope_Atom_Count	0
154517172	Molecular_Weight	97.16
148184	Hydrogen_Bond_Acceptor_Count	3
119	Undefined_Atom_Stereo_Count	0
18410302	Defined_Atom_Stereo_Count	0
6670	XLogP3-AA	1.8
6767	Mono_Isotopic_Weight	350.15180918
23657860	Molecular_Weight	342.30
88209	Non-hydrogen_Atom_Count	12
177336	Defined_Bond_Stereo_Count	0
57459753	Structure_Complexity	115
54949	Hydrogen_Bond_Acceptor_Count	15
21122	Undefined_Atom_Stereo_Count	0
53978942	XLogP3-AA	1.4
443310	Undefined_Atom_Stereo_Count	7
18936143	Defined_Bond_Stereo_Count	0
12300006	XLogP3-AA	1.6
12902531	Non-hydrogen_Atom_Count	8
5064	Mono_Isotopic_Weight	244.08076950
10964444	Hydrogen_Bond_Donor_Count	1
25067411	Isotope_Atom_Count	1
39521	Defined_Atom_Stereo_Count	0
243556	XLogP3-AA	4.6
65871	Non-hydrogen_Atom_Count	26
8626	Exact_Mass	891.9734866
5281411	Rotatable_Bond_Count	2
10400	Covalent_Unit_Count	1
13342	Hydrogen_Bond_Acceptor_Count	12
14502695	Structure_Complexity	109
5297	Covalent_Unit_Count	1
3055168	Hydrogen_Bond_Acceptor_Count	6
37459	Non-hydrogen_Atom_Count	27
12452564	Hydrogen_Bond_Acceptor_Count	1
134601	TPSA	119
6262	Rotatable_Bond_Count	4
9643	Defined_Bond_Stereo_Count	0
44310775	Defined_Atom_Stereo_Count	2
134694678	Mono_Isotopic_Weight	585.30501534
5310987	Defined_Bond_Stereo_Count	1
68304261	Mono_Isotopic_Weight	482.0597731
55958	Total_Formal_Charge	0
12513422	Hydrogen_Bond_Acceptor_Count	1
12685	Exact_Mass	152.06023127
240373	Covalent_Unit_Count	1
11007	Structure_Complexity	123
83969	Defined_Bond_Stereo_Count	0
11455910	Non-hydrogen_Atom_Count	41
9	Hydrogen_Bond_Acceptor_Count	9
4158661	Hydrogen_Bond_Acceptor_Count	8
59896759	Undefined_Atom_Stereo_Count	0
92139	Hydrogen_Bond_Donor_Count	0
13364	Undefined_Atom_Stereo_Count	0
18997160	Undefined_Bond_Stereo_Count	0
234475	Defined_Bond_Stereo_Count	0
1325	Isotope_Atom_Count	0
23674183	Covalent_Unit_Count	3
78457	Defined_Atom_Stereo_Count	1
410615	Undefined_Atom_Stereo_Count	1
23335962	Defined_Bond_Stereo_Count	0
71517699	Rotatable_Bond_Count	5
5281609	Structure_Complexity	957
14529853	Total_Formal_Charge	0
76356	Hydrogen_Bond_Donor_Count	1
4612	Hydrogen_Bond_Acceptor_Count	5
5488548	Hydrogen_Bond_Donor_Count	3
371715	Hydrogen_Bond_Donor_Count	1
77262	Covalent_Unit_Count	1
45278337	Total_Formal_Charge	0
91474	Structure_Complexity	663
2800647	Rotatable_Bond_Count	5
11860	Molecular_Weight	177.03
131770024	TPSA	57.2
5414	TPSA	57.2
950975	Undefined_Bond_Stereo_Count	1
23682190	Undefined_Bond_Stereo_Count	0
118210311	Non-hydrogen_Atom_Count	8
24829330	Hydrogen_Bond_Donor_Count	3
3033821	Exact_Mass	335.13822480
25169133	Molecular_Weight	349.75
44224131	Mono_Isotopic_Weight	376.0760747
135564654	Structure_Complexity	1110
68129	Molecular_Weight	112.08
11503417	Mono_Isotopic_Weight	454.33077660
147165509	TPSA	0
87474167	Hydrogen_Bond_Donor_Count	1
44267026	Rotatable_Bond_Count	4
6165447	Total_Formal_Charge	0
15122	Exact_Mass	123.9846556
31134	Structure_Complexity	405
46205407	Exact_Mass	648.31346959
146156358	Non-hydrogen_Atom_Count	37
35729	Mono_Isotopic_Weight	183.0087061
9964078	Rotatable_Bond_Count	1
498158	Covalent_Unit_Count	1
43331	Defined_Atom_Stereo_Count	0
16426	Total_Formal_Charge	0
535545	Defined_Atom_Stereo_Count	0
14926651	Undefined_Bond_Stereo_Count	0
6918939	Exact_Mass	112.087472332
90937445	TPSA	240
8282	Exact_Mass	119.094628657
139637653	Covalent_Unit_Count	1
9837419	Hydrogen_Bond_Acceptor_Count	0
11111	Rotatable_Bond_Count	0
253186	Hydrogen_Bond_Donor_Count	1
518696	Undefined_Bond_Stereo_Count	0
125183304	Hydrogen_Bond_Acceptor_Count	17
3035240	Defined_Bond_Stereo_Count	0
5486194	Undefined_Atom_Stereo_Count	0
3528	Exact_Mass	670.42333957
97535	Tautomer_Count	4
58501	Total_Formal_Charge	0
4906	Hydrogen_Bond_Donor_Count	2
38310	TPSA	46.3
2347	Hydrogen_Bond_Donor_Count	0
22221797	Exact_Mass	182.018755
53262012	Covalent_Unit_Count	1
11768551	TPSA	37.3
5281877	Undefined_Bond_Stereo_Count	0
1123	Rotatable_Bond_Count	2
290670	Mono_Isotopic_Weight	364.18858861
33874	Defined_Bond_Stereo_Count	0
23783	TPSA	9.2
74267	Non-hydrogen_Atom_Count	28
4683	Undefined_Bond_Stereo_Count	0
60196425	Defined_Bond_Stereo_Count	0
82987	Undefined_Atom_Stereo_Count	0
39765	Mono_Isotopic_Weight	557.43183330
5311497	Defined_Bond_Stereo_Count	0
3788074	Isotope_Atom_Count	0
94866	Undefined_Bond_Stereo_Count	0
5355751	Tautomer_Count	8
10478142	XLogP3-AA	2.9
6438372	Covalent_Unit_Count	1
67718	Total_Formal_Charge	0
22737404	Defined_Atom_Stereo_Count	0
11531460	Hydrogen_Bond_Acceptor_Count	4
44129647	Defined_Bond_Stereo_Count	0
12401	Structure_Complexity	123
10455790	Hydrogen_Bond_Acceptor_Count	4
54033586	Defined_Atom_Stereo_Count	0
146480	Tautomer_Count	5
12873460	Total_Formal_Charge	0
11355992	Covalent_Unit_Count	1
21359608	Hydrogen_Bond_Acceptor_Count	3
9908268	Undefined_Bond_Stereo_Count	0
19540	Rotatable_Bond_Count	4
86018330	Rotatable_Bond_Count	2
10407447	Isotope_Atom_Count	0
71932	Structure_Complexity	406
433	Undefined_Atom_Stereo_Count	1
10855394	Undefined_Atom_Stereo_Count	0
6427102	Undefined_Bond_Stereo_Count	0
70543261	Mono_Isotopic_Weight	180.06338810
6097028	Undefined_Atom_Stereo_Count	0
34852	Tautomer_Count	2
3614338	Covalent_Unit_Count	1
71636	Total_Formal_Charge	0
151205	Undefined_Bond_Stereo_Count	0
3000241	Non-hydrogen_Atom_Count	10
709430	XLogP3-AA	2.4
37015	Total_Formal_Charge	0
135409471	Rotatable_Bond_Count	2
62510	XLogP3-AA	1.8
53643410	Defined_Bond_Stereo_Count	0
20770532	Covalent_Unit_Count	1
33929	Defined_Atom_Stereo_Count	0
19999	Structure_Complexity	34.6
1335	Molecular_Weight	133.15
14840499	Hydrogen_Bond_Donor_Count	0
10390369	Total_Formal_Charge	0
5773	Hydrogen_Bond_Acceptor_Count	6
5360487	Exact_Mass	420.09575085
3859614	Undefined_Atom_Stereo_Count	0
54594759	Defined_Atom_Stereo_Count	0
79619	TPSA	30
133109022	Defined_Atom_Stereo_Count	6
18757414	Covalent_Unit_Count	1
66588767	Defined_Atom_Stereo_Count	0
20472522	Undefined_Atom_Stereo_Count	2
60285	Exact_Mass	310.18925731
94811	Defined_Atom_Stereo_Count	0
3570	Covalent_Unit_Count	1
5388992	Isotope_Atom_Count	0
7767	Undefined_Bond_Stereo_Count	0
75306	Defined_Atom_Stereo_Count	0
9831414	Defined_Bond_Stereo_Count	11
36149	Undefined_Atom_Stereo_Count	0
30175	Hydrogen_Bond_Donor_Count	0
9638	Defined_Bond_Stereo_Count	0
13878880	Covalent_Unit_Count	1
10473	Molecular_Weight	81.54
13661819	Non-hydrogen_Atom_Count	7
21354407	Non-hydrogen_Atom_Count	8
70989	Exact_Mass	173.084063974
62943	Exact_Mass	187.0763918
45358158	Undefined_Atom_Stereo_Count	3
17864302	Undefined_Atom_Stereo_Count	0
11597868	Undefined_Bond_Stereo_Count	0
547308	Undefined_Bond_Stereo_Count	0
87017	Defined_Atom_Stereo_Count	0
62210	Total_Formal_Charge	0
11345692	Total_Formal_Charge	0
206876	Covalent_Unit_Count	1
127995	Tautomer_Count	1
71311215	XLogP3-AA	0.4
67518639	Undefined_Bond_Stereo_Count	0
9396	TPSA	44.8
46930997	Mono_Isotopic_Weight	317.152812238
67547	Rotatable_Bond_Count	12
31635	Undefined_Bond_Stereo_Count	0
5464262	Mono_Isotopic_Weight	570.0888804
37646	Hydrogen_Bond_Acceptor_Count	2
11794741	Isotope_Atom_Count	0
9380	Total_Formal_Charge	0
20684416	Covalent_Unit_Count	1
8969	Hydrogen_Bond_Acceptor_Count	4
6854	Tautomer_Count	1
66793	Covalent_Unit_Count	1
19490	Undefined_Bond_Stereo_Count	0
5280723	Molecular_Weight	354.5
129378	Structure_Complexity	205
25007799	Molecular_Weight	411.5
11451	TPSA	83
10438	Defined_Atom_Stereo_Count	0
59281	Defined_Bond_Stereo_Count	0
69336	Covalent_Unit_Count	1
10920441	Exact_Mass	72.021129366
71165	Tautomer_Count	2
207363	Tautomer_Count	1
3366298	Undefined_Atom_Stereo_Count	0
9826520	Undefined_Atom_Stereo_Count	0
858	Hydrogen_Bond_Donor_Count	0
714937	Molecular_Weight	313.2
67752	Undefined_Bond_Stereo_Count	0
443403	Structure_Complexity	467
57284788	Total_Formal_Charge	0
58642	TPSA	84.9
62343	Exact_Mass	170.130679813
18281	Total_Formal_Charge	0
62819	Hydrogen_Bond_Acceptor_Count	15
8282	Molecular_Weight	119.16
5284600	Total_Formal_Charge	0
13394149	Mono_Isotopic_Weight	429.05183761
64973730	Hydrogen_Bond_Donor_Count	2
6918141	Tautomer_Count	1
11494412	Undefined_Atom_Stereo_Count	0
85867	Molecular_Weight	308.42
90658468	Non-hydrogen_Atom_Count	24
15627	Rotatable_Bond_Count	2
82261	Non-hydrogen_Atom_Count	12
46843057	Hydrogen_Bond_Acceptor_Count	5
7724	Hydrogen_Bond_Acceptor_Count	1
71209	Total_Formal_Charge	0
31211	Molecular_Weight	194.23
15604	Molecular_Weight	180.24
20936	Undefined_Bond_Stereo_Count	0
163962080	Rotatable_Bond_Count	1
5281794	TPSA	46.5
129800396	Hydrogen_Bond_Acceptor_Count	3
58806257	Hydrogen_Bond_Acceptor_Count	1
301417	Molecular_Weight	110.11
444041	Defined_Bond_Stereo_Count	0
4737	Defined_Bond_Stereo_Count	0
14708733	Molecular_Weight	408.4
11457675	XLogP3-AA	0.7
23204	TPSA	0
62354	Undefined_Atom_Stereo_Count	13
521939	Undefined_Atom_Stereo_Count	0
162955682	Isotope_Atom_Count	0
23599753	Non-hydrogen_Atom_Count	7
3048356	Mono_Isotopic_Weight	321.209264485
6440721	Undefined_Atom_Stereo_Count	2
134694146	Defined_Atom_Stereo_Count	6
529435	Non-hydrogen_Atom_Count	13
23571381	Hydrogen_Bond_Donor_Count	1
91693	Defined_Atom_Stereo_Count	0
97616695	Undefined_Atom_Stereo_Count	0
522131	Hydrogen_Bond_Donor_Count	1
21675743	Covalent_Unit_Count	1
522	Undefined_Atom_Stereo_Count	5
8461	Covalent_Unit_Count	1
833992	Tautomer_Count	3
686703	Mono_Isotopic_Weight	165.078978594
214397	Isotope_Atom_Count	0
62165	Undefined_Bond_Stereo_Count	1
12434155	Rotatable_Bond_Count	1
7157007	Structure_Complexity	151
11589453	Defined_Atom_Stereo_Count	0
24764418	Molecular_Weight	609.5
49852344	Covalent_Unit_Count	1
115011062	Mono_Isotopic_Weight	114.068079557
23675747	Hydrogen_Bond_Acceptor_Count	4
137118	Undefined_Atom_Stereo_Count	0
101417707	Isotope_Atom_Count	0
37392	Undefined_Atom_Stereo_Count	1
64502	Tautomer_Count	1
4059	XLogP3	1.4
107273	Tautomer_Count	1
117265544	Defined_Atom_Stereo_Count	0
16049769	TPSA	110
12450	Hydrogen_Bond_Donor_Count	0
45138674	Hydrogen_Bond_Donor_Count	1
9803119	Isotope_Atom_Count	0
21581715	TPSA	43.1
25015695	Covalent_Unit_Count	1
50878556	Covalent_Unit_Count	2
18314227	XLogP3-AA	1.2
4513	Exact_Mass	331.11366728
225703	Non-hydrogen_Atom_Count	18
457928	TPSA	101
60657	Covalent_Unit_Count	1
22889103	Hydrogen_Bond_Donor_Count	1
60155	Rotatable_Bond_Count	4
1519	Undefined_Atom_Stereo_Count	4
123892631	Covalent_Unit_Count	1
14939066	Defined_Atom_Stereo_Count	0
560256	Covalent_Unit_Count	2
57667	Undefined_Bond_Stereo_Count	0
81110	Undefined_Bond_Stereo_Count	0
6485793	Total_Formal_Charge	0
11733	Hydrogen_Bond_Donor_Count	0
58473795	Defined_Bond_Stereo_Count	0
67387401	Defined_Atom_Stereo_Count	0
57452847	Undefined_Bond_Stereo_Count	0
393601	Defined_Bond_Stereo_Count	0
145278326	Defined_Atom_Stereo_Count	0
12735404	TPSA	49.3
12729368	Undefined_Bond_Stereo_Count	0
3497012	Mono_Isotopic_Weight	183.07696722
5353635	Mono_Isotopic_Weight	324.10698424
6604876	Covalent_Unit_Count	1
12358803	Hydrogen_Bond_Acceptor_Count	2
5421897	Non-hydrogen_Atom_Count	23
5282198	Total_Formal_Charge	0
56633764	Defined_Bond_Stereo_Count	0
10639	Rotatable_Bond_Count	1
45358055	Structure_Complexity	507
1921	Undefined_Bond_Stereo_Count	0
10285	Rotatable_Bond_Count	0
726	Hydrogen_Bond_Donor_Count	9
31779	XLogP3	3.7
154515422	Non-hydrogen_Atom_Count	8
144456	XLogP3-AA	3.2
4435	Molecular_Weight	406.6
10920463	Rotatable_Bond_Count	0
5388937	Covalent_Unit_Count	1
88924436	Hydrogen_Bond_Donor_Count	0
91067785	Covalent_Unit_Count	1
3891	Isotope_Atom_Count	0
7987	TPSA	71.1
23724827	Covalent_Unit_Count	3
91511	Tautomer_Count	1
53796209	Defined_Bond_Stereo_Count	0
5432	Tautomer_Count	6
24849134	Undefined_Bond_Stereo_Count	0
136231689	Hydrogen_Bond_Acceptor_Count	4
78962	Isotope_Atom_Count	0
13898	TPSA	36.3
23238195	Mono_Isotopic_Weight	255.13448209
6319	Undefined_Bond_Stereo_Count	0
6917868	Undefined_Atom_Stereo_Count	0
5281771	Molecular_Weight	786.7
135992838	Undefined_Bond_Stereo_Count	0
6443717	Molecular_Weight	98.10
21452007	Non-hydrogen_Atom_Count	11
129785733	Structure_Complexity	96.3
4376	Hydrogen_Bond_Donor_Count	3
119196	Undefined_Bond_Stereo_Count	0
8106	XLogP3	3.3
15945857	Defined_Atom_Stereo_Count	0
4545429	Hydrogen_Bond_Acceptor_Count	2
11415	Molecular_Weight	282.90
4414	Non-hydrogen_Atom_Count	29
60977	XLogP3-AA	3.9
114681	Total_Formal_Charge	0
6918314	Non-hydrogen_Atom_Count	33
74079	Mono_Isotopic_Weight	189.042593085
3035241	Undefined_Bond_Stereo_Count	0
61631	Non-hydrogen_Atom_Count	12
14679813	Structure_Complexity	1040
7475	XLogP3	1.4
289847	Structure_Complexity	150
2249	Non-hydrogen_Atom_Count	19
23265	Rotatable_Bond_Count	2
5464027	Tautomer_Count	3
248580	Mono_Isotopic_Weight	161.084063974
16759177	Hydrogen_Bond_Donor_Count	2
26865	Structure_Complexity	98.6
9961939	TPSA	220
60196345	Hydrogen_Bond_Acceptor_Count	6
88489334	Undefined_Atom_Stereo_Count	0
40302	Molecular_Weight	176.24
21484	Hydrogen_Bond_Donor_Count	1
17736	Structure_Complexity	184
92002571	Non-hydrogen_Atom_Count	25
61778	Structure_Complexity	76
6445540	Isotope_Atom_Count	0
12562	Non-hydrogen_Atom_Count	16
681274	Undefined_Atom_Stereo_Count	0
337310	XLogP3-AA	0.2
9843028	Isotope_Atom_Count	0
69534	Defined_Bond_Stereo_Count	0
57336523	Tautomer_Count	48
414243	Defined_Atom_Stereo_Count	0
135398517	XLogP3-AA	0.3
14295	Rotatable_Bond_Count	2
118613234	Rotatable_Bond_Count	1
17531	Molecular_Weight	345.4
153427669	Isotope_Atom_Count	0
156619111	Total_Formal_Charge	0
49867936	TPSA	168
59882246	XLogP3-AA	0.2
689750	Mono_Isotopic_Weight	232.06703418
447994	Undefined_Atom_Stereo_Count	0
5282241	Hydrogen_Bond_Donor_Count	6
156323004	Covalent_Unit_Count	1
3033017	XLogP3	2.9
70301	Hydrogen_Bond_Donor_Count	2
54682938	Covalent_Unit_Count	1
18213	Total_Formal_Charge	0
54325138	Mono_Isotopic_Weight	99.032028402
99681	Tautomer_Count	5
16220015	Molecular_Weight	360.4
16221342	Isotope_Atom_Count	0
9963057	Tautomer_Count	3
135942119	Undefined_Bond_Stereo_Count	0
552549	Defined_Bond_Stereo_Count	0
9934	Total_Formal_Charge	0
75445	Molecular_Weight	477.7
27756	Tautomer_Count	1
41432	XLogP3	0.1
91139914	XLogP3-AA	2.7
6333901	Defined_Bond_Stereo_Count	0
15528723	TPSA	40.5
6915944	Mono_Isotopic_Weight	395.03581088
53673	Exact_Mass	194.01499861
135438601	Tautomer_Count	9
581	Defined_Atom_Stereo_Count	0
12688299	Covalent_Unit_Count	1
1712094	Rotatable_Bond_Count	3
92275	Covalent_Unit_Count	1
38093	Hydrogen_Bond_Donor_Count	3
5464200	Exact_Mass	284.1291556
11657	Hydrogen_Bond_Acceptor_Count	0
53317194	Defined_Atom_Stereo_Count	0
6537502	TPSA	455
54063398	Non-hydrogen_Atom_Count	7
139833631	Undefined_Bond_Stereo_Count	0
23618707	Undefined_Bond_Stereo_Count	0
54680694	Undefined_Bond_Stereo_Count	0
9548611	Defined_Atom_Stereo_Count	0
81850	Mono_Isotopic_Weight	198.0083718
70682214	XLogP3-AA	1.3
131801164	Defined_Atom_Stereo_Count	1
69808	Isotope_Atom_Count	0
50516	Hydrogen_Bond_Donor_Count	1
82322	Molecular_Weight	117.15
61048	Isotope_Atom_Count	0
12877	Hydrogen_Bond_Acceptor_Count	0
159169	Rotatable_Bond_Count	0
12114682	Defined_Atom_Stereo_Count	2
36255	Mono_Isotopic_Weight	545.92082
12009213	Hydrogen_Bond_Donor_Count	0
6436041	Covalent_Unit_Count	1
2762918	Hydrogen_Bond_Donor_Count	1
2856977	Mono_Isotopic_Weight	247.132076794
13158036	Hydrogen_Bond_Acceptor_Count	1
9356	Hydrogen_Bond_Donor_Count	5
4790	Molecular_Weight	260.4
632332	Exact_Mass	361.1345753
586676	Molecular_Weight	180.20
657378	XLogP3	0.9
387179	Defined_Atom_Stereo_Count	0
14866914	Hydrogen_Bond_Donor_Count	0
57773	Rotatable_Bond_Count	5
91766	Rotatable_Bond_Count	4
67628	Rotatable_Bond_Count	6
9250	Hydrogen_Bond_Acceptor_Count	0
74825	TPSA	18.5
3037032	TPSA	60.4
36690486	Structure_Complexity	319
18954572	Molecular_Weight	98.10
12529300	Isotope_Atom_Count	0
6969	Isotope_Atom_Count	0
91662	Undefined_Atom_Stereo_Count	0
23335962	Isotope_Atom_Count	0
5029	Mono_Isotopic_Weight	359.13036271
5365552	XLogP3-AA	2.4
19734140	Defined_Bond_Stereo_Count	0
13584550	Defined_Atom_Stereo_Count	0
6114	Defined_Bond_Stereo_Count	0
946898	Mono_Isotopic_Weight	307.17969569
44242317	Non-hydrogen_Atom_Count	42
56619338	Molecular_Weight	170.08
24871744	Hydrogen_Bond_Donor_Count	1
3158	Defined_Atom_Stereo_Count	0
10453145	Rotatable_Bond_Count	6
84002	Hydrogen_Bond_Donor_Count	3
166548151	TPSA	23.8
57493771	Non-hydrogen_Atom_Count	19
10823	Structure_Complexity	61.4
101554	Tautomer_Count	1
5282321	Defined_Atom_Stereo_Count	8
52007	TPSA	41.1
66586378	Hydrogen_Bond_Donor_Count	2
246219	TPSA	64.4
137530132	Covalent_Unit_Count	1
19423644	Non-hydrogen_Atom_Count	7
146993530	Molecular_Weight	108.18
57458936	Isotope_Atom_Count	0
135871122	Tautomer_Count	85
19782479	Hydrogen_Bond_Acceptor_Count	2
429551	Hydrogen_Bond_Acceptor_Count	2
16218643	Molecular_Weight	430.6
465951	Exact_Mass	353.12094084
596	Hydrogen_Bond_Donor_Count	4
61265	Exact_Mass	115.099714038
449107	Structure_Complexity	708
5374527	Defined_Atom_Stereo_Count	0
27461	Hydrogen_Bond_Acceptor_Count	10
19878	Undefined_Atom_Stereo_Count	0
36552	Exact_Mass	427.05079224
124584674	Undefined_Atom_Stereo_Count	0
118285	Rotatable_Bond_Count	4
11325	Hydrogen_Bond_Acceptor_Count	2
139085816	Non-hydrogen_Atom_Count	19
101744	Non-hydrogen_Atom_Count	22
435360	Covalent_Unit_Count	1
14919832	Total_Formal_Charge	0
160435425	Hydrogen_Bond_Donor_Count	0
20035	Total_Formal_Charge	0
21680724	Defined_Atom_Stereo_Count	2
31420	Undefined_Bond_Stereo_Count	0
625469	TPSA	151
11389359	Rotatable_Bond_Count	1
13573329	Undefined_Atom_Stereo_Count	2
142559332	Hydrogen_Bond_Acceptor_Count	1
69332601	Defined_Atom_Stereo_Count	0
10267	Structure_Complexity	428
20392	Mono_Isotopic_Weight	180.04225873
115157	Rotatable_Bond_Count	22
24848788	TPSA	65.8
11073348	Isotope_Atom_Count	0
9898439	Isotope_Atom_Count	0
3758	Hydrogen_Bond_Donor_Count	1
3825	Hydrogen_Bond_Donor_Count	1
134070	Molecular_Weight	416.6
142773668	Total_Formal_Charge	0
59876594	Undefined_Atom_Stereo_Count	1
90876488	Exact_Mass	342.11621151
702	Defined_Atom_Stereo_Count	0
14454	XLogP3-AA	1.6
78904	Covalent_Unit_Count	1
274234	Undefined_Bond_Stereo_Count	0
22154890	XLogP3-AA	2.3
65060	Total_Formal_Charge	0
11069215	Exact_Mass	391.0448479
19930616	Mono_Isotopic_Weight	99.068413911
13150	Rotatable_Bond_Count	2
11313	Rotatable_Bond_Count	5
39738	Rotatable_Bond_Count	0
596091	Mono_Isotopic_Weight	220.146329876
10478	Hydrogen_Bond_Donor_Count	0
6916033	Undefined_Atom_Stereo_Count	0
11957491	Mono_Isotopic_Weight	598.00994696
22613925	Isotope_Atom_Count	0
11243536	TPSA	32.3
11998	TPSA	52
83904773	Hydrogen_Bond_Acceptor_Count	1
23263244	TPSA	18.5
24288	TPSA	0
124005380	Mono_Isotopic_Weight	110.109550447
409301	Tautomer_Count	1
123597	Undefined_Atom_Stereo_Count	1
44154280	Tautomer_Count	6
10257882	Structure_Complexity	1060
9129	Tautomer_Count	1
148828281	Undefined_Bond_Stereo_Count	0
561193	Structure_Complexity	210
973938	XLogP3-AA	2
141080616	Defined_Atom_Stereo_Count	0
535857	Structure_Complexity	68.8
283813	Structure_Complexity	109
22181493	Exact_Mass	96.068748264
123260325	Hydrogen_Bond_Donor_Count	1
7473	Structure_Complexity	122
5281764	Molecular_Weight	474.4
11462546	Hydrogen_Bond_Donor_Count	0
5280880	Defined_Atom_Stereo_Count	3
140850	TPSA	60.7
11073351	Hydrogen_Bond_Donor_Count	0
28532	Covalent_Unit_Count	1
61144	Structure_Complexity	85.4
9868452	Isotope_Atom_Count	0
12310749	Exact_Mass	398.354866087
5281525	Total_Formal_Charge	0
3465817	Rotatable_Bond_Count	3
18728307	Structure_Complexity	77
126961335	Defined_Atom_Stereo_Count	1
11405	XLogP3	1.9
55899	Mono_Isotopic_Weight	141.090211983
71306354	Structure_Complexity	4380
86336697	Rotatable_Bond_Count	1
446925	Rotatable_Bond_Count	16
57029485	Covalent_Unit_Count	1
25271810	Undefined_Atom_Stereo_Count	0
43102	Mono_Isotopic_Weight	260.188863393
118971790	Isotope_Atom_Count	0
90397060	Rotatable_Bond_Count	15
67314475	Undefined_Atom_Stereo_Count	0
71458868	TPSA	90.6
20699949	Non-hydrogen_Atom_Count	8
5388936	Rotatable_Bond_Count	6
70280758	Non-hydrogen_Atom_Count	31
37393	Isotope_Atom_Count	0
25099	Molecular_Weight	301.4
60602	Exact_Mass	609.28388597
18766934	XLogP3-AA	1.3
6197820	Hydrogen_Bond_Acceptor_Count	6
37461	Hydrogen_Bond_Donor_Count	1
108051	Tautomer_Count	6
60931	Molecular_Weight	393.5
126667515	Rotatable_Bond_Count	2
44563116	Mono_Isotopic_Weight	419.24335857
221523	TPSA	9.2
87161809	TPSA	49.8
3251	TPSA	118
21581715	Undefined_Bond_Stereo_Count	0
13039	TPSA	55.1
13794997	Defined_Atom_Stereo_Count	0
57339238	Total_Formal_Charge	0
74	Undefined_Atom_Stereo_Count	5
11960468	Defined_Bond_Stereo_Count	0
23663992	Tautomer_Count	4
11463807	Molecular_Weight	403.3
264090	Hydrogen_Bond_Donor_Count	0
30844	Total_Formal_Charge	0
9833407	Isotope_Atom_Count	0
190291	Tautomer_Count	2
4592	Molecular_Weight	298.34
129695690	Total_Formal_Charge	0
5897	Non-hydrogen_Atom_Count	17
43672	Undefined_Bond_Stereo_Count	0
71306	TPSA	401
6365145	Tautomer_Count	6
23566493	Isotope_Atom_Count	0
72743	Total_Formal_Charge	0
3474	Defined_Atom_Stereo_Count	0
138125	Undefined_Bond_Stereo_Count	0
12241264	Defined_Atom_Stereo_Count	2
5410	Exact_Mass	344.23514488
24978536	Undefined_Atom_Stereo_Count	0
135487856	Undefined_Atom_Stereo_Count	2
38989055	Hydrogen_Bond_Donor_Count	0
70680970	Defined_Atom_Stereo_Count	0
13348002	Covalent_Unit_Count	1
53773588	Undefined_Bond_Stereo_Count	1
18779923	XLogP3	0.3
20543	Molecular_Weight	457.7
34208	Non-hydrogen_Atom_Count	20
29878	Defined_Bond_Stereo_Count	0
93573	Undefined_Bond_Stereo_Count	0
561376	Isotope_Atom_Count	0
93130	Isotope_Atom_Count	0
15189027	Rotatable_Bond_Count	1
147740	Defined_Atom_Stereo_Count	15
445302	Non-hydrogen_Atom_Count	14
10229498	Hydrogen_Bond_Acceptor_Count	5
135491728	Rotatable_Bond_Count	9
13245088	Non-hydrogen_Atom_Count	8
18330928	Hydrogen_Bond_Acceptor_Count	1
117291	TPSA	52.6
10788	Undefined_Atom_Stereo_Count	0
6917831	Hydrogen_Bond_Acceptor_Count	9
24848271	XLogP3-AA	3.7
18879	Defined_Atom_Stereo_Count	3
5288075	Undefined_Bond_Stereo_Count	0
15778463	Undefined_Atom_Stereo_Count	0
65822	Defined_Atom_Stereo_Count	0
60196284	Non-hydrogen_Atom_Count	31
118984396	Defined_Atom_Stereo_Count	2
137118	Tautomer_Count	1
27744	Defined_Bond_Stereo_Count	0
15450	Covalent_Unit_Count	1
60196375	Molecular_Weight	587.7
10964417	Total_Formal_Charge	0
53486170	Defined_Bond_Stereo_Count	0
6857482	Mono_Isotopic_Weight	222.198365449
70813	Hydrogen_Bond_Donor_Count	0
15633846	Undefined_Bond_Stereo_Count	0
9549180	TPSA	40.5
54429687	Rotatable_Bond_Count	1
18530	Non-hydrogen_Atom_Count	7
72887	Molecular_Weight	128.17
52038	Molecular_Weight	225.31
54584708	Molecular_Weight	430.4
533840	XLogP3-AA	0.6
71455485	Molecular_Weight	498.0
10552	Undefined_Atom_Stereo_Count	0
17779928	Covalent_Unit_Count	1
74255	TPSA	134
1733	Rotatable_Bond_Count	0
9082	Non-hydrogen_Atom_Count	5
8051	Covalent_Unit_Count	1
10700	Defined_Atom_Stereo_Count	0
25127112	Defined_Bond_Stereo_Count	0
1712088	Defined_Bond_Stereo_Count	0
54136480	Rotatable_Bond_Count	2
8210	Mono_Isotopic_Weight	218.18819469
12344797	Exact_Mass	112.063662883
96380	Non-hydrogen_Atom_Count	15
133121364	Rotatable_Bond_Count	1
3033851	Covalent_Unit_Count	1
118855445	Hydrogen_Bond_Donor_Count	15
69588	TPSA	28.7
10078175	Hydrogen_Bond_Donor_Count	8
9065	Tautomer_Count	1
36188	Defined_Bond_Stereo_Count	0
53477794	Covalent_Unit_Count	1
9187	Tautomer_Count	1
10953427	Mono_Isotopic_Weight	91.042199164
69260851	Structure_Complexity	571
444021	Isotope_Atom_Count	0
225	Exact_Mass	290.224580195
33196	Hydrogen_Bond_Acceptor_Count	3
71460926	Defined_Bond_Stereo_Count	0
124247	Hydrogen_Bond_Donor_Count	3
56928080	Covalent_Unit_Count	1
21246587	Defined_Bond_Stereo_Count	1
68016	Non-hydrogen_Atom_Count	10
123133951	Covalent_Unit_Count	1
137203329	Structure_Complexity	205
20519089	Molecular_Weight	351.0
5437	Total_Formal_Charge	0
131664136	Rotatable_Bond_Count	36
6433695	Hydrogen_Bond_Donor_Count	1
62827	Mono_Isotopic_Weight	495.3874489
3683036	Molecular_Weight	169.16
5284516	Defined_Atom_Stereo_Count	2
149208291	Exact_Mass	97.089149355
53664307	Structure_Complexity	53.7
537092	Mono_Isotopic_Weight	132.115029749
24774912	Undefined_Bond_Stereo_Count	0
50857	Hydrogen_Bond_Donor_Count	2
53867497	Structure_Complexity	99.7
4621	TPSA	64.1
10329304	Hydrogen_Bond_Donor_Count	0
21677822	Covalent_Unit_Count	1
56518	Exact_Mass	277.1233420
3239396	Non-hydrogen_Atom_Count	20
83703	Defined_Atom_Stereo_Count	0
53670643	Exact_Mass	114.042927438
78043	Molecular_Weight	112.13
52950209	Total_Formal_Charge	0
6278	Hydrogen_Bond_Donor_Count	0
1864	Non-hydrogen_Atom_Count	18
12561739	Non-hydrogen_Atom_Count	10
247771	Undefined_Atom_Stereo_Count	1
44563178	Total_Formal_Charge	0
59116084	Rotatable_Bond_Count	1
4871804	Undefined_Bond_Stereo_Count	0
591	Structure_Complexity	1570
6127	Rotatable_Bond_Count	2
5192	Mono_Isotopic_Weight	202.12050905
62719	Exact_Mass	218.13382109
16741245	Defined_Bond_Stereo_Count	0
2568387	Undefined_Bond_Stereo_Count	0
393601	Structure_Complexity	778
60160561	Non-hydrogen_Atom_Count	40
67828	Covalent_Unit_Count	1
33838	Undefined_Bond_Stereo_Count	0
67299	Exact_Mass	177.9588348
20387208	Undefined_Atom_Stereo_Count	2
7826	Isotope_Atom_Count	0
107	Undefined_Bond_Stereo_Count	0
12695	Defined_Bond_Stereo_Count	0
49288	XLogP3	1.8
24229456	TPSA	49.8
519418	Mono_Isotopic_Weight	157.0658271
100472	Total_Formal_Charge	0
23617864	Hydrogen_Bond_Acceptor_Count	2
139585898	Defined_Bond_Stereo_Count	3
2791	Molecular_Weight	467.0
3885	Exact_Mass	242.094294304
53321035	Structure_Complexity	347
20561708	TPSA	47.8
108037	Isotope_Atom_Count	0
53967	Covalent_Unit_Count	1
4525487	Mono_Isotopic_Weight	146.04533274
75355757	Isotope_Atom_Count	0
5702096	Tautomer_Count	8
24901144	TPSA	119
2895	Undefined_Bond_Stereo_Count	0
6432238	Undefined_Atom_Stereo_Count	0
54586720	Molecular_Weight	314.4
925253	Hydrogen_Bond_Donor_Count	1
443881	Defined_Atom_Stereo_Count	6
45878	Covalent_Unit_Count	1
54060494	Hydrogen_Bond_Donor_Count	1
657275	Exact_Mass	271.1451400
154511	Non-hydrogen_Atom_Count	17
11829372	Covalent_Unit_Count	1
3001028	Structure_Complexity	624
61453	Covalent_Unit_Count	1
167811	Non-hydrogen_Atom_Count	28
1694	TPSA	41.6
12637126	Mono_Isotopic_Weight	113.047678466
10325129	Hydrogen_Bond_Acceptor_Count	8
16131923	Undefined_Atom_Stereo_Count	0
16049088	XLogP3-AA	2.9
675242	Defined_Bond_Stereo_Count	0
19822625	Defined_Atom_Stereo_Count	0
3741048	Undefined_Atom_Stereo_Count	0
23430	Exact_Mass	448.18456586
7612	Non-hydrogen_Atom_Count	5
135643052	Exact_Mass	224.07970687
90478690	Rotatable_Bond_Count	6
441285	Undefined_Atom_Stereo_Count	1
64987	Undefined_Atom_Stereo_Count	1
6433076	Structure_Complexity	346
80782	Defined_Atom_Stereo_Count	0
711239	XLogP3-AA	3.2
17360	Exact_Mass	451.13721
88670	Non-hydrogen_Atom_Count	13
13514	Exact_Mass	159.924948
58143028	Defined_Bond_Stereo_Count	0
7691	Undefined_Atom_Stereo_Count	0
66829	Defined_Atom_Stereo_Count	0
129761	Hydrogen_Bond_Donor_Count	2
11974	Rotatable_Bond_Count	8
66623496	Non-hydrogen_Atom_Count	8
5311447	Non-hydrogen_Atom_Count	31
5845	Tautomer_Count	1
25612	Non-hydrogen_Atom_Count	11
10168	Total_Formal_Charge	0
80972	Hydrogen_Bond_Donor_Count	0
6435507	Covalent_Unit_Count	1
15587	Structure_Complexity	415
60196330	Non-hydrogen_Atom_Count	13
17997105	Structure_Complexity	91.7
15995	Total_Formal_Charge	0
556836	TPSA	20.2
62835	XLogP3-AA	0.4
30874	Exact_Mass	180.187800766
10307849	Undefined_Atom_Stereo_Count	0
66048	Non-hydrogen_Atom_Count	8
9033	Undefined_Bond_Stereo_Count	0
12213511	Structure_Complexity	139
4278	Total_Formal_Charge	0
21513403	Total_Formal_Charge	0
28754	Undefined_Bond_Stereo_Count	0
10131132	Mono_Isotopic_Weight	247.0611356
23557886	XLogP3-AA	0
161664	Mono_Isotopic_Weight	439.36615904
69860	Exact_Mass	156.05349212
7560	Hydrogen_Bond_Donor_Count	1
19434657	Hydrogen_Bond_Acceptor_Count	1
166486721	TPSA	20.3
52987927	Covalent_Unit_Count	1
53346589	Isotope_Atom_Count	0
57396625	TPSA	48.4
18345891	Undefined_Bond_Stereo_Count	0
23663400	Undefined_Bond_Stereo_Count	0
4808	XLogP3-AA	7.4
61278	Covalent_Unit_Count	1
57784	Defined_Bond_Stereo_Count	0
86876	Non-hydrogen_Atom_Count	12
44588235	Undefined_Atom_Stereo_Count	0
153100734	Covalent_Unit_Count	1
42105518	Hydrogen_Bond_Acceptor_Count	1
9830667	Mono_Isotopic_Weight	629.32470541
84878	Defined_Bond_Stereo_Count	0
12022	Hydrogen_Bond_Acceptor_Count	1
527511	Molecular_Weight	109.17
54111025	Defined_Bond_Stereo_Count	0
449224	Mono_Isotopic_Weight	991.42555890
123799979	Rotatable_Bond_Count	0
12801	Structure_Complexity	222
40428945	Undefined_Bond_Stereo_Count	0
22323244	XLogP3-AA	1.7
56955286	Undefined_Bond_Stereo_Count	0
81837	Undefined_Atom_Stereo_Count	0
25213416	TPSA	26
156432753	Non-hydrogen_Atom_Count	8
105766824	Non-hydrogen_Atom_Count	8
431094	Exact_Mass	1197.605436
447451	XLogP3-AA	5.4
398579	Total_Formal_Charge	0
68015385	TPSA	190
73271	TPSA	95.5
54530824	Molecular_Weight	114.14
13349550	Total_Formal_Charge	0
832	Covalent_Unit_Count	1
91489	TPSA	74.2
24901349	Non-hydrogen_Atom_Count	34
78377	Total_Formal_Charge	0
107950	Hydrogen_Bond_Donor_Count	0
21189145	Mono_Isotopic_Weight	114.031694049
61240	Total_Formal_Charge	0
61996	Tautomer_Count	1
5887	TPSA	31.8
19080487	Hydrogen_Bond_Acceptor_Count	1
11908385	Structure_Complexity	382
315341	XLogP3-AA	0.9
12313	Defined_Atom_Stereo_Count	0
21835032	TPSA	12
68205	Tautomer_Count	5
10076806	Mono_Isotopic_Weight	573.17228466
2402	Non-hydrogen_Atom_Count	34
71961	Mono_Isotopic_Weight	493.16311939
33728341	Molecular_Weight	113.12
83648	Undefined_Bond_Stereo_Count	0
6902	Molecular_Weight	150.13
584807	TPSA	47.6
726944	XLogP3-AA	1.1
6917974	Undefined_Atom_Stereo_Count	0
9053	Exact_Mass	376.20498756
51357128	Defined_Atom_Stereo_Count	1
76449347	Hydrogen_Bond_Donor_Count	3
9869929	Molecular_Weight	483.9
263077	Rotatable_Bond_Count	2
23058060	XLogP3-AA	1.7
44442027	Total_Formal_Charge	0
589615	Molecular_Weight	146.15
87501539	Rotatable_Bond_Count	1
508194	Structure_Complexity	1090
72307	Undefined_Atom_Stereo_Count	0
73415798	Covalent_Unit_Count	3
2759255	XLogP3-AA	0.1
34636	Molecular_Weight	442.4
21650627	Structure_Complexity	122
510	Structure_Complexity	248
102233552	Defined_Bond_Stereo_Count	1
5361192	Rotatable_Bond_Count	9
7652	Molecular_Weight	238.28
21576696	Total_Formal_Charge	1
65407	TPSA	185
3058754	Exact_Mass	397.07079698
230826	Undefined_Atom_Stereo_Count	0
10814237	Mono_Isotopic_Weight	470.33960994
89206022	Mono_Isotopic_Weight	904.44565070
3331	Undefined_Bond_Stereo_Count	0
65876	Defined_Atom_Stereo_Count	0
88800	Hydrogen_Bond_Acceptor_Count	3
160940	Molecular_Weight	298.72
12444348	TPSA	20.2
24756	Structure_Complexity	144
11751549	Rotatable_Bond_Count	8
46936422	Molecular_Weight	867.1
154171248	Exact_Mass	97.052763847
57394598	Covalent_Unit_Count	1
3047810	TPSA	80.7
15024257	Hydrogen_Bond_Acceptor_Count	3
24872560	Isotope_Atom_Count	0
6883	Total_Formal_Charge	0
17805735	Exact_Mass	96.068748264
153448834	Mono_Isotopic_Weight	284.16237386
642765	Isotope_Atom_Count	0
78739	Hydrogen_Bond_Donor_Count	0
79535	TPSA	20.2
192155	Defined_Bond_Stereo_Count	0
6914273	Mono_Isotopic_Weight	314.06511943
5359272	Hydrogen_Bond_Donor_Count	1
18744	Isotope_Atom_Count	0
5237030	TPSA	80.3
6440511	Undefined_Atom_Stereo_Count	0
630689	Isotope_Atom_Count	0
47750	Rotatable_Bond_Count	3
24763199	Mono_Isotopic_Weight	379.0854322
53323371	Undefined_Bond_Stereo_Count	0
16760328	Rotatable_Bond_Count	13
115116	Exact_Mass	286.15689456
641115	Non-hydrogen_Atom_Count	19
456199	Undefined_Bond_Stereo_Count	0
9867361	Defined_Bond_Stereo_Count	0
72732	Covalent_Unit_Count	1
72862	Covalent_Unit_Count	1
71583157	XLogP3-AA	4
5311010	Structure_Complexity	1770
13396323	Molecular_Weight	103.16
11061	Hydrogen_Bond_Acceptor_Count	3
77662	Isotope_Atom_Count	0
437721	Structure_Complexity	91.7
5280633	Covalent_Unit_Count	1
2733335	TPSA	152
138801	Mono_Isotopic_Weight	274.266051085
33606	Structure_Complexity	234
54757474	XLogP3-AA	4.7
58528	Mono_Isotopic_Weight	256.121177757
70949	Non-hydrogen_Atom_Count	10
5460185	Exact_Mass	298.18791464
56205	Defined_Bond_Stereo_Count	0
15940571	Exact_Mass	489.27265258
16129809	TPSA	478
3940	Defined_Bond_Stereo_Count	0
3677	Tautomer_Count	1
2222	Covalent_Unit_Count	1
65370	Rotatable_Bond_Count	13
12196274	Structure_Complexity	15.5
44144	Hydrogen_Bond_Acceptor_Count	5
71827	Exact_Mass	242.105527694
9854073	Hydrogen_Bond_Donor_Count	3
11412863	Defined_Atom_Stereo_Count	4
54582513	Hydrogen_Bond_Acceptor_Count	2
2727	Hydrogen_Bond_Acceptor_Count	3
3202	Undefined_Bond_Stereo_Count	0
5281437	Isotope_Atom_Count	0
11440685	Covalent_Unit_Count	1
54023646	Rotatable_Bond_Count	1
11398	Rotatable_Bond_Count	2
124040753	Undefined_Atom_Stereo_Count	4
123626564	Isotope_Atom_Count	0
23666112	TPSA	95.6
45085421	Non-hydrogen_Atom_Count	8
6432237	Exact_Mass	72.057514874
159220	Mono_Isotopic_Weight	229.1233420
57112474	Molecular_Weight	114.19
9811834	Mono_Isotopic_Weight	411.20457303
23688957	Structure_Complexity	46.8
13844112	Undefined_Atom_Stereo_Count	0
5466139	Undefined_Atom_Stereo_Count	0
1483593	Hydrogen_Bond_Donor_Count	1
632910	Hydrogen_Bond_Acceptor_Count	1
137249786	Structure_Complexity	1140
19070	Hydrogen_Bond_Donor_Count	3
4526530	Total_Formal_Charge	0
15950003	Hydrogen_Bond_Donor_Count	1
69839	TPSA	9.2
13334302	Covalent_Unit_Count	1
672	Undefined_Atom_Stereo_Count	3
9416	Tautomer_Count	5
10987215	Isotope_Atom_Count	0
11722286	Covalent_Unit_Count	2
101771	Mono_Isotopic_Weight	334.25079494
17996772	Isotope_Atom_Count	0
56840987	Exact_Mass	660.35096247
127382	Hydrogen_Bond_Acceptor_Count	5
544	Hydrogen_Bond_Donor_Count	0
6603822	Hydrogen_Bond_Donor_Count	3
53818	Exact_Mass	298.15287181
21265	Undefined_Atom_Stereo_Count	0
70685697	XLogP3-AA	4.3
411312	Rotatable_Bond_Count	6
22386380	Molecular_Weight	121.10
12284127	Isotope_Atom_Count	0
35711	Tautomer_Count	1
11378472	Total_Formal_Charge	0
25154714	Defined_Atom_Stereo_Count	4
143917	Molecular_Weight	92.14
133134	Mono_Isotopic_Weight	554.28528295
123271	Rotatable_Bond_Count	0
25199807	Structure_Complexity	103
75806	Molecular_Weight	280.4
46220502	Hydrogen_Bond_Donor_Count	1
4366885	Defined_Atom_Stereo_Count	0
12302681	Non-hydrogen_Atom_Count	23
13200	Structure_Complexity	128
237546	Hydrogen_Bond_Donor_Count	1
70235	Covalent_Unit_Count	1
6476333	Mono_Isotopic_Weight	624.20542044
444614	Undefined_Atom_Stereo_Count	1
123920652	Molecular_Weight	110.20
13347992	Molecular_Weight	108.18
53643991	Undefined_Bond_Stereo_Count	0
75453	XLogP3-AA	3.8
134826477	Exact_Mass	765.14826780
6857686	XLogP3-AA	3
54515893	Non-hydrogen_Atom_Count	8
11244031	Hydrogen_Bond_Acceptor_Count	3
129627691	Undefined_Bond_Stereo_Count	0
6429604	Isotope_Atom_Count	0
57336812	Defined_Atom_Stereo_Count	0
138611145	Defined_Bond_Stereo_Count	0
6433101	Isotope_Atom_Count	0
13222108	Hydrogen_Bond_Acceptor_Count	2
12754185	Mono_Isotopic_Weight	111.104799419
9803788	XLogP3-AA	4.1
19095	Rotatable_Bond_Count	2
9600409	Defined_Bond_Stereo_Count	1
159922	Molecular_Weight	112.06
449435	Defined_Bond_Stereo_Count	0
961	Covalent_Unit_Count	1
6048	Rotatable_Bond_Count	2
20770500	Rotatable_Bond_Count	1
20705517	Undefined_Atom_Stereo_Count	1
95162203	Rotatable_Bond_Count	4
67375395	Structure_Complexity	568
605283	Tautomer_Count	15
15565412	Undefined_Bond_Stereo_Count	0
71463602	Structure_Complexity	1260
12669582	Covalent_Unit_Count	1
54608115	Mono_Isotopic_Weight	2163.9515005
2724025	Covalent_Unit_Count	1
5050	Total_Formal_Charge	0
6436658	Molecular_Weight	1001.1
10534631	Hydrogen_Bond_Donor_Count	1
2144	TPSA	142
33353	Rotatable_Bond_Count	5
130142668	Isotope_Atom_Count	0
545963	Isotope_Atom_Count	0
2280	TPSA	178
11446308	Undefined_Atom_Stereo_Count	0
20590622	Rotatable_Bond_Count	0
24986999	Non-hydrogen_Atom_Count	68
40701	Hydrogen_Bond_Acceptor_Count	2
6917983	Molecular_Weight	822.9
323180	Mono_Isotopic_Weight	110.059246208
129845	Structure_Complexity	453
226274	TPSA	43.1
8150	Hydrogen_Bond_Acceptor_Count	3
3009010	Rotatable_Bond_Count	12
8298	Exact_Mass	142.135765193
91747	Exact_Mass	309.0379554
18626415	Isotope_Atom_Count	0
20728717	Defined_Bond_Stereo_Count	0
630689	Mono_Isotopic_Weight	336.183778013
1878	Defined_Bond_Stereo_Count	0
4823	Undefined_Bond_Stereo_Count	0
17747460	Molecular_Weight	641.3
449435	Rotatable_Bond_Count	8
68933	Mono_Isotopic_Weight	264.06809681
56665391	Structure_Complexity	617
130525028	Covalent_Unit_Count	1
11088	Covalent_Unit_Count	1
44408641	Structure_Complexity	491
6652	TPSA	17.1
4340561	Non-hydrogen_Atom_Count	7
45880	XLogP3-AA	2.2
136784	Hydrogen_Bond_Acceptor_Count	3
25059	TPSA	66.9
91419082	TPSA	9.2
51341966	Exact_Mass	265.972503
36667	Molecular_Weight	289.4
5954	Non-hydrogen_Atom_Count	18
138106574	XLogP3-AA	2.1
10654175	Covalent_Unit_Count	1
5086	Exact_Mass	265.06851135
25007064	Defined_Bond_Stereo_Count	0
21303152	XLogP3-AA	0
27826	Exact_Mass	129.090211983
5311136	Undefined_Atom_Stereo_Count	0
3464	Rotatable_Bond_Count	7
3500	XLogP3-AA	2.9
9548590	Isotope_Atom_Count	0
4356	Rotatable_Bond_Count	10
3788	Undefined_Bond_Stereo_Count	1
26038	Exact_Mass	311.74429
1249	Defined_Atom_Stereo_Count	0
519449	Tautomer_Count	1
10455790	Mono_Isotopic_Weight	438.14920402
8418	XLogP3	4.4
81530	Defined_Bond_Stereo_Count	0
10264356	Covalent_Unit_Count	1
21917397	TPSA	3.9
54561127	Hydrogen_Bond_Donor_Count	1
154066059	Molecular_Weight	110.07
86790	Defined_Atom_Stereo_Count	0
110373	Total_Formal_Charge	0
15367	Undefined_Bond_Stereo_Count	0
72200940	Hydrogen_Bond_Donor_Count	1
18506421	Molecular_Weight	116.11
314282	Rotatable_Bond_Count	1
8598	Hydrogen_Bond_Acceptor_Count	7
1068	Structure_Complexity	2.8
448400	Undefined_Atom_Stereo_Count	0
11424151	Hydrogen_Bond_Acceptor_Count	2
20475566	TPSA	9.2
6426632	Undefined_Bond_Stereo_Count	0
3743617	Undefined_Bond_Stereo_Count	0
138264	Defined_Atom_Stereo_Count	0
8970	Exact_Mass	334.21440943
529197	Covalent_Unit_Count	1
9543220	Hydrogen_Bond_Donor_Count	2
540	Covalent_Unit_Count	1
24866358	Structure_Complexity	635
22486676	Non-hydrogen_Atom_Count	6
136965670	Hydrogen_Bond_Donor_Count	15
4833	Exact_Mass	614.28930571
156212	Exact_Mass	310.930761
86711	Non-hydrogen_Atom_Count	29
67832	Structure_Complexity	131
66191	Hydrogen_Bond_Donor_Count	0
57401682	Hydrogen_Bond_Donor_Count	2
1549097	Mono_Isotopic_Weight	152.00175385
74040195	Total_Formal_Charge	0
6918123	Mono_Isotopic_Weight	331.03264982
34850	Undefined_Bond_Stereo_Count	0
68392349	Exact_Mass	109.089149355
2282	Hydrogen_Bond_Acceptor_Count	9
439224	Mono_Isotopic_Weight	226.10659032
6951129	Exact_Mass	165.115364102
71460926	Isotope_Atom_Count	0
57656869	Rotatable_Bond_Count	4
668649	Structure_Complexity	435
8291	Non-hydrogen_Atom_Count	18
10486	Rotatable_Bond_Count	0
517063	Structure_Complexity	122
122361733	TPSA	198
117715670	Hydrogen_Bond_Acceptor_Count	5
9916	Hydrogen_Bond_Acceptor_Count	3
7135	Hydrogen_Bond_Acceptor_Count	2
69333926	Molecular_Weight	108.10
135532293	Molecular_Weight	190.09
160435	Rotatable_Bond_Count	0
7861	TPSA	9.2
10833	TPSA	83.6
2771758	Tautomer_Count	7
535824	Structure_Complexity	66.7
20644245	Non-hydrogen_Atom_Count	7
53235510	TPSA	95.1
1268111	Hydrogen_Bond_Acceptor_Count	4
6432640	Hydrogen_Bond_Donor_Count	1
22902239	Rotatable_Bond_Count	0
59557732	Isotope_Atom_Count	0
5238474	Exact_Mass	262.121846464
57048209	TPSA	20.2
44349142	Total_Formal_Charge	0
154479899	Mono_Isotopic_Weight	112.052429494
11241881	Undefined_Atom_Stereo_Count	0
494148	Undefined_Atom_Stereo_Count	8
5374527	XLogP3-AA	3.5
24901210	Undefined_Bond_Stereo_Count	0
6437071	Defined_Bond_Stereo_Count	1
5410	TPSA	43.4
903687	Hydrogen_Bond_Acceptor_Count	4
15951420	Covalent_Unit_Count	1
65578	Covalent_Unit_Count	1
146364	Undefined_Atom_Stereo_Count	1
22571	Isotope_Atom_Count	0
694117	Total_Formal_Charge	0
7114	Rotatable_Bond_Count	1
9037	Undefined_Atom_Stereo_Count	0
89027474	Hydrogen_Bond_Donor_Count	0
24901283	Undefined_Bond_Stereo_Count	0
24027	Molecular_Weight	378.3
131720661	Mono_Isotopic_Weight	228.06338810
445858	Covalent_Unit_Count	1
11029889	Undefined_Bond_Stereo_Count	0
8722	Defined_Atom_Stereo_Count	0
222536	Structure_Complexity	125
12763	Isotope_Atom_Count	0
16197730	Exact_Mass	1944.87636988
10643636	Covalent_Unit_Count	1
17234	Defined_Bond_Stereo_Count	0
41575	Hydrogen_Bond_Donor_Count	2
71742521	Mono_Isotopic_Weight	111.068413911
163781	Covalent_Unit_Count	1
67113727	Isotope_Atom_Count	0
6080476	Undefined_Atom_Stereo_Count	1
66903	Rotatable_Bond_Count	18
11409972	Rotatable_Bond_Count	8
12508473	Hydrogen_Bond_Donor_Count	3
4369359	Defined_Bond_Stereo_Count	0
129791	Hydrogen_Bond_Donor_Count	2
59037463	Molecular_Weight	303.35
37612	XLogP3-AA	5.1
68486699	Total_Formal_Charge	0
44144429	Structure_Complexity	494
19460	TPSA	0
53886733	Defined_Atom_Stereo_Count	0
3000479	Total_Formal_Charge	0
73160420	Molecular_Weight	1349.5
5284572	Structure_Complexity	1520
89398913	Non-hydrogen_Atom_Count	10
793	Mono_Isotopic_Weight	156.05349212
9102	Total_Formal_Charge	0
13332726	Exact_Mass	98.048012819
21685	Molecular_Weight	206.32
9971	Covalent_Unit_Count	1
7537	Undefined_Bond_Stereo_Count	0
12316	Defined_Atom_Stereo_Count	0
123133923	TPSA	70.1
19601937	Rotatable_Bond_Count	26
54466147	Defined_Atom_Stereo_Count	0
22219016	Total_Formal_Charge	0
167811	Mono_Isotopic_Weight	407.18616006
2032	Mono_Isotopic_Weight	334.262028332
20735704	Total_Formal_Charge	0
48918	Undefined_Atom_Stereo_Count	0
5020115	Molecular_Weight	88.13
9812710	Covalent_Unit_Count	2
439888	TPSA	40.5
5282182	Undefined_Atom_Stereo_Count	0
70922	Hydrogen_Bond_Acceptor_Count	2
76960246	Defined_Atom_Stereo_Count	9
6360	Undefined_Atom_Stereo_Count	0
135398748	Undefined_Bond_Stereo_Count	0
99295	Covalent_Unit_Count	1
543706	Hydrogen_Bond_Donor_Count	1
93089	Defined_Atom_Stereo_Count	0
23667628	Hydrogen_Bond_Donor_Count	1
150679	Mono_Isotopic_Weight	270.08652358
9884820	Rotatable_Bond_Count	3
439282	Covalent_Unit_Count	1
47035	Exact_Mass	321.21781779
55182	Covalent_Unit_Count	3
210301	Defined_Atom_Stereo_Count	0
10899282	Undefined_Bond_Stereo_Count	0
12231382	Defined_Bond_Stereo_Count	0
8140	Mono_Isotopic_Weight	192.05136
11246	Non-hydrogen_Atom_Count	5
20823386	Covalent_Unit_Count	1
5460135	Undefined_Bond_Stereo_Count	0
6436730	TPSA	319
447360	Rotatable_Bond_Count	5
18656	Undefined_Bond_Stereo_Count	0
51984	Undefined_Atom_Stereo_Count	0
17630	Isotope_Atom_Count	0
4831	Defined_Atom_Stereo_Count	0
57391720	Structure_Complexity	1150
9547919	Structure_Complexity	748
12511868	XLogP3-AA	1.3
21249654	Covalent_Unit_Count	2
505	Undefined_Atom_Stereo_Count	4
5289547	Defined_Bond_Stereo_Count	1
3230	Defined_Bond_Stereo_Count	0
10882	TPSA	26.3
54581335	Isotope_Atom_Count	0
78225491	TPSA	75.2
5332	Structure_Complexity	376
46878477	Structure_Complexity	395
33775	Isotope_Atom_Count	0
2495	Hydrogen_Bond_Acceptor_Count	7
6151	Hydrogen_Bond_Acceptor_Count	4
8225	Undefined_Bond_Stereo_Count	0
58806244	Defined_Bond_Stereo_Count	0
5732	Molecular_Weight	307.4
70689445	Defined_Atom_Stereo_Count	0
24646	Total_Formal_Charge	0
4876	Non-hydrogen_Atom_Count	10
659024	Undefined_Atom_Stereo_Count	1
693241	Defined_Bond_Stereo_Count	0
124823816	TPSA	20.2
57450901	Exact_Mass	114.104465066
10378	Structure_Complexity	185
62835	Rotatable_Bond_Count	0
12211348	Defined_Bond_Stereo_Count	0
2734171	Rotatable_Bond_Count	3
43261	Isotope_Atom_Count	0
119097293	Covalent_Unit_Count	1
20141875	Hydrogen_Bond_Donor_Count	1
101526	Hydrogen_Bond_Donor_Count	3
44562	Hydrogen_Bond_Acceptor_Count	3
704328	Molecular_Weight	340.5
13424663	Undefined_Atom_Stereo_Count	0
4175	Mono_Isotopic_Weight	388.26135963
73216	Non-hydrogen_Atom_Count	11
122669	Tautomer_Count	1
70684819	Hydrogen_Bond_Acceptor_Count	5
398652	Exact_Mass	429.16885622
159247	Mono_Isotopic_Weight	185.0374194
97391	Molecular_Weight	142.20
44719499	Rotatable_Bond_Count	4
78148	Mono_Isotopic_Weight	81.057849228
156618073	Isotope_Atom_Count	0
25142042	Mono_Isotopic_Weight	408.19615422
57394	Total_Formal_Charge	0
102565432	Total_Formal_Charge	0
78096	Hydrogen_Bond_Donor_Count	3
139269842	Total_Formal_Charge	0
101603227	XLogP3-AA	6.1
96563	Defined_Bond_Stereo_Count	0
644007	Structure_Complexity	405
19757496	Mono_Isotopic_Weight	108.01868458
15559154	Covalent_Unit_Count	1
537677	Exact_Mass	100.03851076
8061	XLogP3	1.1
16047027	Molecular_Weight	697.9
410029	Exact_Mass	308.9644758
83969	Defined_Atom_Stereo_Count	0
28692	Non-hydrogen_Atom_Count	21
13462	Defined_Bond_Stereo_Count	0
17882722	Molecular_Weight	114.10
64456	Exact_Mass	224.13471982
145937	Non-hydrogen_Atom_Count	27
23684677	Isotope_Atom_Count	0
50897	Hydrogen_Bond_Donor_Count	0
12573	Covalent_Unit_Count	1
89159	Undefined_Bond_Stereo_Count	0
5288811	Total_Formal_Charge	0
54496446	Undefined_Atom_Stereo_Count	1
528166	Exact_Mass	94.078250319
81223	Defined_Atom_Stereo_Count	0
1548943	Undefined_Atom_Stereo_Count	0
192706	Mono_Isotopic_Weight	337.17902698
53930639	Defined_Bond_Stereo_Count	0
446541	Total_Formal_Charge	0
17129	Hydrogen_Bond_Donor_Count	0
71902	Defined_Atom_Stereo_Count	5
32091	Structure_Complexity	537
14923	Rotatable_Bond_Count	0
90078	Tautomer_Count	3
8748	Covalent_Unit_Count	1
53388310	Structure_Complexity	559
22833506	Mono_Isotopic_Weight	410.1051646
53315588	Structure_Complexity	1210
7940	Total_Formal_Charge	0
65036	Total_Formal_Charge	0
522007	XLogP3-AA	1.8
129797481	Isotope_Atom_Count	0
923329	Mono_Isotopic_Weight	289.14264148
219301	Defined_Bond_Stereo_Count	0
10176241	Defined_Bond_Stereo_Count	0
43184	Total_Formal_Charge	0
65565	Defined_Atom_Stereo_Count	0
425440	Non-hydrogen_Atom_Count	7
5899068	Tautomer_Count	1
45488106	Isotope_Atom_Count	0
12193680	Undefined_Bond_Stereo_Count	0
73797127	Undefined_Bond_Stereo_Count	0
71530	Exact_Mass	332.08613
33539	Undefined_Atom_Stereo_Count	4
5311381	Hydrogen_Bond_Donor_Count	2
12486	Covalent_Unit_Count	1
119086018	Molecular_Weight	109.09
5311010	Rotatable_Bond_Count	18
71584165	Hydrogen_Bond_Acceptor_Count	6
448875	Defined_Bond_Stereo_Count	0
3078952	Defined_Atom_Stereo_Count	0
44755146	TPSA	117
47151	Undefined_Atom_Stereo_Count	0
60960	Hydrogen_Bond_Acceptor_Count	4
448126	Isotope_Atom_Count	0
129652160	TPSA	132
9961469	Exact_Mass	674.07629
24869	Exact_Mass	112.052429494
12268623	Defined_Atom_Stereo_Count	0
44565820	Non-hydrogen_Atom_Count	23
440966	Structure_Complexity	177
74066	Hydrogen_Bond_Donor_Count	2
69	Undefined_Atom_Stereo_Count	0
778159	Structure_Complexity	170
972	Undefined_Bond_Stereo_Count	0
2281	TPSA	174
7450	Covalent_Unit_Count	1
85673900	Mono_Isotopic_Weight	98.084398327
509554	Exact_Mass	356.16371127
59164	Isotope_Atom_Count	0
34799	Mono_Isotopic_Weight	205.146664230
139077515	Defined_Bond_Stereo_Count	0
23422064	TPSA	60.8
6918314	Mono_Isotopic_Weight	441.21647512
3777650	TPSA	65.1
190550	Isotope_Atom_Count	0
9935	XLogP3	1.8
13229	Isotope_Atom_Count	0
447587	Total_Formal_Charge	0
6436015	Hydrogen_Bond_Donor_Count	0
398632	Rotatable_Bond_Count	2
219608	Covalent_Unit_Count	1
53778	Hydrogen_Bond_Acceptor_Count	4
11538455	Defined_Atom_Stereo_Count	0
25014844	Molecular_Weight	476.6
86153841	Structure_Complexity	128
58099153	TPSA	13.1
49869037	Isotope_Atom_Count	0
56928166	Molecular_Weight	2070.2
625230	Undefined_Bond_Stereo_Count	0
6227	Exact_Mass	137.93164
49750	Undefined_Atom_Stereo_Count	0
90334	TPSA	48.1
135697	TPSA	50.4
44159252	Total_Formal_Charge	0
25200541	Hydrogen_Bond_Acceptor_Count	8
137073	Covalent_Unit_Count	1
61100	TPSA	121
9918978	Defined_Atom_Stereo_Count	7
138891	Structure_Complexity	70.1
70321834	Rotatable_Bond_Count	1
15664	Hydrogen_Bond_Donor_Count	0
18953179	Undefined_Bond_Stereo_Count	0
154518370	Total_Formal_Charge	0
1755	Total_Formal_Charge	0
73355083	Mono_Isotopic_Weight	408.1153171
411828	Covalent_Unit_Count	1
637996	Total_Formal_Charge	0
9529	Exact_Mass	260.04584451
5318591	Molecular_Weight	418.4
5284584	Total_Formal_Charge	0
6178111	Total_Formal_Charge	0
8917	Non-hydrogen_Atom_Count	11
10219373	Covalent_Unit_Count	1
4196	Undefined_Bond_Stereo_Count	0
13445099	Undefined_Atom_Stereo_Count	0
519946	Mono_Isotopic_Weight	86.073164938
446563	Mono_Isotopic_Weight	268.313001276
513955	Hydrogen_Bond_Donor_Count	4
54463873	Isotope_Atom_Count	0
58438464	Molecular_Weight	512.7
97919	Undefined_Atom_Stereo_Count	1
85670850	Defined_Atom_Stereo_Count	0
86266	Tautomer_Count	1
54585642	Covalent_Unit_Count	1
1292	Structure_Complexity	138
137994	Structure_Complexity	159
160554	Non-hydrogen_Atom_Count	13
13367	Hydrogen_Bond_Acceptor_Count	1
5314058	Hydrogen_Bond_Donor_Count	0
92588	Covalent_Unit_Count	1
5273569	TPSA	76
43905	Undefined_Bond_Stereo_Count	0
55290394	Covalent_Unit_Count	1
10342	Undefined_Bond_Stereo_Count	0
136832	Non-hydrogen_Atom_Count	8
57583195	Mono_Isotopic_Weight	101.084063974
15287162	Defined_Atom_Stereo_Count	3
10219763	Hydrogen_Bond_Acceptor_Count	6
56659843	Structure_Complexity	659
75908	Undefined_Bond_Stereo_Count	0
62379	Mono_Isotopic_Weight	355.18746
178438	Isotope_Atom_Count	0
489	Undefined_Atom_Stereo_Count	5
53077	Defined_Atom_Stereo_Count	2
76771601	Mono_Isotopic_Weight	114.104465066
9815326	Hydrogen_Bond_Acceptor_Count	4
467825	Exact_Mass	437.11218768
5280608	XLogP3-AA	0.6
107282	Covalent_Unit_Count	1
73744469	Molecular_Weight	582.0
124201453	Isotope_Atom_Count	0
5463911	Isotope_Atom_Count	0
9957535	TPSA	79.9
850502	Structure_Complexity	340
60155182	Undefined_Bond_Stereo_Count	0
51712	TPSA	52.6
6914821	Isotope_Atom_Count	0
948323	Defined_Bond_Stereo_Count	0
45073621	Undefined_Bond_Stereo_Count	0
78431	Mono_Isotopic_Weight	239.09799996
234808	Rotatable_Bond_Count	0
55264361	Total_Formal_Charge	0
10856744	Mono_Isotopic_Weight	210.04629874
12082850	Undefined_Bond_Stereo_Count	0
13654	Structure_Complexity	146
28803	Defined_Atom_Stereo_Count	0
11234350	Hydrogen_Bond_Acceptor_Count	6
6254	XLogP3-AA	2.7
15889752	Mono_Isotopic_Weight	102.068079557
6950248	Hydrogen_Bond_Donor_Count	1
75282141	Hydrogen_Bond_Donor_Count	0
14366068	Defined_Bond_Stereo_Count	0
398661	Undefined_Bond_Stereo_Count	0
67240553	Undefined_Atom_Stereo_Count	0
7643	Hydrogen_Bond_Donor_Count	0
50045	XLogP3-AA	2.4
91899080	Isotope_Atom_Count	0
90098	Molecular_Weight	237.33
160419	Defined_Atom_Stereo_Count	0
10337564	Exact_Mass	344.152477885
20387203	Rotatable_Bond_Count	4
10455	Defined_Atom_Stereo_Count	0
110	Exact_Mass	151.97794440
24771777	Covalent_Unit_Count	1
9983746	Rotatable_Bond_Count	3
219096	Undefined_Atom_Stereo_Count	2
5352621	Exact_Mass	277.183049738
57031137	Molecular_Weight	112.17
53869568	Isotope_Atom_Count	0
20674252	Non-hydrogen_Atom_Count	7
71382907	Hydrogen_Bond_Donor_Count	1
9861124	Exact_Mass	299.0279976
12231381	Undefined_Atom_Stereo_Count	1
41308	Rotatable_Bond_Count	2
603	Structure_Complexity	273
91468768	Non-hydrogen_Atom_Count	8
53806232	Undefined_Bond_Stereo_Count	1
15205080	TPSA	44
16051947	Hydrogen_Bond_Acceptor_Count	11
54171635	Undefined_Atom_Stereo_Count	1
408511	Covalent_Unit_Count	1
64772	Isotope_Atom_Count	0
10950142	Undefined_Atom_Stereo_Count	0
58411	Covalent_Unit_Count	2
230710	Covalent_Unit_Count	1
50944	Molecular_Weight	245.25
69333796	Undefined_Atom_Stereo_Count	0
18502	Isotope_Atom_Count	0
60196381	Defined_Bond_Stereo_Count	0
85859507	Defined_Bond_Stereo_Count	0
11769095	Isotope_Atom_Count	0
13531384	Isotope_Atom_Count	0
23677832	Tautomer_Count	1
13969	Mono_Isotopic_Weight	324.16852187
5460795	Hydrogen_Bond_Donor_Count	3
30006	Isotope_Atom_Count	0
283813	TPSA	29.1
21058171	Defined_Atom_Stereo_Count	0
54084075	Rotatable_Bond_Count	4
57004451	Defined_Bond_Stereo_Count	0
970	Undefined_Bond_Stereo_Count	0
382	Hydrogen_Bond_Acceptor_Count	23
13134933	TPSA	222
277953	TPSA	38.3
99894	Molecular_Weight	103.12
9998128	Exact_Mass	352.14364454
340026	Covalent_Unit_Count	1
3958	TPSA	61.7
10818	Rotatable_Bond_Count	1
12462027	XLogP3-AA	1
156595906	Mono_Isotopic_Weight	852.15113847
4409	TPSA	26.3
3985	Undefined_Bond_Stereo_Count	0
12340	Undefined_Atom_Stereo_Count	0
649852	Defined_Atom_Stereo_Count	0
57394195	Undefined_Bond_Stereo_Count	0
53393558	Non-hydrogen_Atom_Count	16
238498	Non-hydrogen_Atom_Count	11
24207	Isotope_Atom_Count	0
21482439	Structure_Complexity	70.8
25138049	Rotatable_Bond_Count	5
9895194	XLogP3-AA	4.8
70579	Exact_Mass	421.92576
87321867	Rotatable_Bond_Count	1
54690394	Undefined_Atom_Stereo_Count	0
41772	Undefined_Bond_Stereo_Count	0
2735122	Tautomer_Count	1
2795218	Molecular_Weight	113.11
68437	Isotope_Atom_Count	0
44377662	Isotope_Atom_Count	0
41545	Total_Formal_Charge	0
6918284	Non-hydrogen_Atom_Count	77
546717	Non-hydrogen_Atom_Count	13
104916	TPSA	45.2
11442891	Hydrogen_Bond_Donor_Count	2
3520	Molecular_Weight	59.07
46477	Rotatable_Bond_Count	1
68356363	Total_Formal_Charge	0
25007064	Isotope_Atom_Count	0
22149470	Molecular_Weight	100.16
12406949	XLogP3-AA	0.4
286827	Exact_Mass	101.084063974
123133923	Molecular_Weight	178.14
154081039	Hydrogen_Bond_Donor_Count	0
11208	Covalent_Unit_Count	1
101218360	XLogP3-AA	0.3
15551468	Hydrogen_Bond_Acceptor_Count	2
9029	Defined_Bond_Stereo_Count	0
61361	Molecular_Weight	190.24
79966	Non-hydrogen_Atom_Count	13
11263478	Molecular_Weight	110.15
165295	TPSA	40.5
9964081	Covalent_Unit_Count	1
12614	Molecular_Weight	108.18
65974	Undefined_Bond_Stereo_Count	0
216262	Structure_Complexity	643
17905	Hydrogen_Bond_Acceptor_Count	1
406167	Covalent_Unit_Count	1
347476	Structure_Complexity	70.9
54368096	Mono_Isotopic_Weight	100.088815002
59	Tautomer_Count	1
135472943	Total_Formal_Charge	0
22137184	XLogP3-AA	1
88937798	Defined_Bond_Stereo_Count	0
3866	Covalent_Unit_Count	1
139852	Mono_Isotopic_Weight	93.057849228
1516	Exact_Mass	272.96367
139590596	Defined_Atom_Stereo_Count	8
101835694	Undefined_Bond_Stereo_Count	0
23450	Tautomer_Count	6
4392	Hydrogen_Bond_Donor_Count	4
22397445	Undefined_Atom_Stereo_Count	0
60196328	Total_Formal_Charge	0
19371515	Defined_Atom_Stereo_Count	0
544137	Non-hydrogen_Atom_Count	8
74120	Defined_Bond_Stereo_Count	0
11254899	Structure_Complexity	156
614	Defined_Atom_Stereo_Count	0
59091406	Undefined_Bond_Stereo_Count	0
34725	Mono_Isotopic_Weight	174.125594432
17805735	Defined_Atom_Stereo_Count	0
6858006	Undefined_Bond_Stereo_Count	0
138195	Non-hydrogen_Atom_Count	9
643798	Hydrogen_Bond_Donor_Count	2
40146	Rotatable_Bond_Count	3
2734117	Structure_Complexity	281
135532964	Defined_Bond_Stereo_Count	0
16699	Isotope_Atom_Count	0
5361848	XLogP3	0
16685	Non-hydrogen_Atom_Count	17
276224	Defined_Bond_Stereo_Count	0
23666456	Non-hydrogen_Atom_Count	7
80790	Exact_Mass	164.120115130
90498	Isotope_Atom_Count	0
94228	Structure_Complexity	574
644235	Tautomer_Count	1
20448997	Defined_Atom_Stereo_Count	0
3616	XLogP3-AA	0.3
5464924	Exact_Mass	564.03287581
53806072	Covalent_Unit_Count	1
146158693	Isotope_Atom_Count	3
160534	Molecular_Weight	102.09
14232	Hydrogen_Bond_Donor_Count	1
66660558	TPSA	18.5
9743	TPSA	20.2
10631872	Isotope_Atom_Count	0
266742	Molecular_Weight	152.19
53943526	Exact_Mass	99.032028402
8742	Total_Formal_Charge	0
166775	Total_Formal_Charge	0
593369	Molecular_Weight	305.4
72429	Undefined_Bond_Stereo_Count	0
969212	Defined_Atom_Stereo_Count	2
24404	Undefined_Bond_Stereo_Count	0
9642	Total_Formal_Charge	0
58512812	Rotatable_Bond_Count	0
72924	Tautomer_Count	5
80786	Isotope_Atom_Count	0
12550	Undefined_Bond_Stereo_Count	0
11543746	Hydrogen_Bond_Donor_Count	1
169	Hydrogen_Bond_Acceptor_Count	4
44590447	Hydrogen_Bond_Acceptor_Count	7
54493752	Molecular_Weight	93.13
160439	Undefined_Atom_Stereo_Count	0
44310002	TPSA	49.7
5282203	Defined_Atom_Stereo_Count	0
118346510	Molecular_Weight	111.14
19883311	Undefined_Atom_Stereo_Count	1
131843960	Defined_Atom_Stereo_Count	0
3949	Covalent_Unit_Count	1
439377	Non-hydrogen_Atom_Count	11
299728	Undefined_Bond_Stereo_Count	0
53464	Structure_Complexity	322
84531	Tautomer_Count	1
127030167	Hydrogen_Bond_Donor_Count	6
91772	Undefined_Atom_Stereo_Count	0
4183883	Defined_Atom_Stereo_Count	0
755	Defined_Bond_Stereo_Count	0
475	Defined_Bond_Stereo_Count	0
5364932	Hydrogen_Bond_Donor_Count	1
58806287	Undefined_Bond_Stereo_Count	0
123919	Rotatable_Bond_Count	0
70144	Molecular_Weight	164.16
1578	Hydrogen_Bond_Acceptor_Count	1
14794988	Defined_Bond_Stereo_Count	0
609	Rotatable_Bond_Count	3
52230	Non-hydrogen_Atom_Count	21
809629	Defined_Bond_Stereo_Count	0
29982856	Molecular_Weight	342.30
60199634	Isotope_Atom_Count	0
44123551	Hydrogen_Bond_Donor_Count	2
6433402	Undefined_Bond_Stereo_Count	0
165157	Hydrogen_Bond_Donor_Count	16
67314475	Exact_Mass	109.063997236
53796229	Hydrogen_Bond_Acceptor_Count	2
441384	Defined_Bond_Stereo_Count	0
6437850	Undefined_Atom_Stereo_Count	0
19738210	XLogP3-AA	1
6918335	Structure_Complexity	1280
6438560	Defined_Atom_Stereo_Count	0
168928	Rotatable_Bond_Count	1
453974	Rotatable_Bond_Count	0
56931136	Molecular_Weight	462.9
702015	Exact_Mass	260.10485899
13513692	Hydrogen_Bond_Acceptor_Count	1
148022	XLogP3-AA	0.2
83763	Structure_Complexity	101
70693116	Structure_Complexity	758
33255	Rotatable_Bond_Count	7
1490	XLogP3	3.9
12389	XLogP3	7.2
71433469	Hydrogen_Bond_Acceptor_Count	2
89580	Structure_Complexity	34.5
630689	Molecular_Weight	336.4
17778639	Defined_Bond_Stereo_Count	0
4331	Rotatable_Bond_Count	13
135659016	Hydrogen_Bond_Acceptor_Count	15
11969542	TPSA	85.4
6452127	Defined_Atom_Stereo_Count	4
349902	Covalent_Unit_Count	1
13849	Total_Formal_Charge	0
5329020	Undefined_Bond_Stereo_Count	0
14759	Defined_Bond_Stereo_Count	0
23663403	Structure_Complexity	525
6993205	Undefined_Atom_Stereo_Count	0
19165	XLogP3	3.7
78759348	TPSA	95.6
19284	XLogP3	8
5288631	Total_Formal_Charge	0
9906	Rotatable_Bond_Count	0
54705095	Hydrogen_Bond_Acceptor_Count	11
86855	Structure_Complexity	66.8
105426927	Total_Formal_Charge	0
2734680	Undefined_Bond_Stereo_Count	0
382	Structure_Complexity	1540
25015556	Mono_Isotopic_Weight	534.29545371
5324277	Exact_Mass	87.068413911
154214	Rotatable_Bond_Count	4
522996	Hydrogen_Bond_Acceptor_Count	0
121233058	Defined_Atom_Stereo_Count	0
11054313	XLogP3-AA	3
12441662	Total_Formal_Charge	0
3208	Isotope_Atom_Count	0
72146	Exact_Mass	253.07726451
1217	Undefined_Bond_Stereo_Count	0
7356	Total_Formal_Charge	0
91250151	Non-hydrogen_Atom_Count	10
45046073	Isotope_Atom_Count	0
53320444	Molecular_Weight	465.5
26105	Undefined_Atom_Stereo_Count	1
642975	Molecular_Weight	126.20
133136	Structure_Complexity	721
55300496	Covalent_Unit_Count	1
2734996	Covalent_Unit_Count	3
71170	Undefined_Bond_Stereo_Count	0
713762	XLogP3-AA	5.2
23274061	Undefined_Bond_Stereo_Count	0
9066	Hydrogen_Bond_Donor_Count	1
12206947	Rotatable_Bond_Count	0
458645	Total_Formal_Charge	1
59561	XLogP3-AA	2.6
10351178	Undefined_Atom_Stereo_Count	17
9929785	Molecular_Weight	380.5
814155	Rotatable_Bond_Count	5
39538	Defined_Atom_Stereo_Count	0
70679035	TPSA	13.7
9823887	Non-hydrogen_Atom_Count	30
12309519	Mono_Isotopic_Weight	324.183778013
20276	TPSA	0
2117	Tautomer_Count	1
40399	Undefined_Bond_Stereo_Count	0
692135	Defined_Atom_Stereo_Count	1
21830191	Covalent_Unit_Count	1
6436628	Covalent_Unit_Count	2
3833001	Structure_Complexity	240
59421472	Undefined_Bond_Stereo_Count	0
1116	Defined_Atom_Stereo_Count	0
11161534	Non-hydrogen_Atom_Count	20
137018	Covalent_Unit_Count	1
5034	Exact_Mass	520.79460
11679800	Tautomer_Count	1
10042942	Defined_Atom_Stereo_Count	1
229	Mono_Isotopic_Weight	150.05282342
44563146	Total_Formal_Charge	0
30690	Total_Formal_Charge	0
23103	Undefined_Atom_Stereo_Count	0
11154925	Defined_Bond_Stereo_Count	0
517546	Defined_Bond_Stereo_Count	0
16052038	Mono_Isotopic_Weight	698.3862143
23260879	Total_Formal_Charge	0
7173	Undefined_Atom_Stereo_Count	0
6883	XLogP3	1.3
263	Defined_Bond_Stereo_Count	0
5284572	Hydrogen_Bond_Acceptor_Count	7
160940	Tautomer_Count	6
162955685	Hydrogen_Bond_Acceptor_Count	11
163429552	Rotatable_Bond_Count	1
42108	Undefined_Bond_Stereo_Count	0
30337	XLogP3-AA	0.6
60196279	Exact_Mass	622.14348889
10305301	Hydrogen_Bond_Acceptor_Count	12
558363	Mono_Isotopic_Weight	99.104799419
10313106	Isotope_Atom_Count	0
59164	Mono_Isotopic_Weight	377.14092740
11355437	Exact_Mass	78.042927438
57123750	Hydrogen_Bond_Donor_Count	5
51585	TPSA	62.6
208898	TPSA	97.2
58014	Undefined_Atom_Stereo_Count	0
7915	Tautomer_Count	1
25137901	TPSA	263
119086017	Undefined_Atom_Stereo_Count	0
165588672	Total_Formal_Charge	0
20614524	Isotope_Atom_Count	0
103609	Undefined_Bond_Stereo_Count	0
38768	Isotope_Atom_Count	0
297183	Exact_Mass	108.057514874
17549	Undefined_Atom_Stereo_Count	0
11414871	Structure_Complexity	349
62823	Undefined_Atom_Stereo_Count	1
37521	Rotatable_Bond_Count	4
71969	Covalent_Unit_Count	1
129849	Structure_Complexity	730
137076	Molecular_Weight	109.17
53765848	Defined_Bond_Stereo_Count	0
40855	TPSA	132
46830487	Covalent_Unit_Count	1
14221	Hydrogen_Bond_Acceptor_Count	1
9966051	Exact_Mass	298.15036988
26375	Total_Formal_Charge	0
17846631	XLogP3-AA	0.3
63400	Defined_Atom_Stereo_Count	0
92950	Exact_Mass	158.178298710
13559281	XLogP3-AA	2.9
23876	Total_Formal_Charge	0
456255	Undefined_Bond_Stereo_Count	0
21227	XLogP3-AA	1.2
4752	Undefined_Bond_Stereo_Count	0
471360	Structure_Complexity	230
3486	Structure_Complexity	569
9576412	Undefined_Atom_Stereo_Count	0
210410	Mono_Isotopic_Weight	116.094963011
92851	Defined_Atom_Stereo_Count	1
11159486	Non-hydrogen_Atom_Count	12
13696436	Rotatable_Bond_Count	2
20138	Isotope_Atom_Count	0
2300	Structure_Complexity	418
62341	Defined_Atom_Stereo_Count	0
45351	Mono_Isotopic_Weight	277.1233420
124823	Non-hydrogen_Atom_Count	17
118946	Undefined_Atom_Stereo_Count	0
101554	Exact_Mass	164.06847348
12226	Undefined_Bond_Stereo_Count	0
8262	Non-hydrogen_Atom_Count	13
69401251	Mono_Isotopic_Weight	111.068413911
6919051	Defined_Atom_Stereo_Count	0
702289	Isotope_Atom_Count	0
8042	Hydrogen_Bond_Acceptor_Count	2
71311337	Structure_Complexity	8
21558567	Non-hydrogen_Atom_Count	7
5481119	Undefined_Atom_Stereo_Count	0
104745	Tautomer_Count	1
20414	Hydrogen_Bond_Acceptor_Count	0
9889823	Hydrogen_Bond_Donor_Count	2
77554	Structure_Complexity	302
29084	Mono_Isotopic_Weight	220.08479225
20913	Isotope_Atom_Count	0
3081317	Non-hydrogen_Atom_Count	44
12957	Defined_Bond_Stereo_Count	0
19907834	Defined_Atom_Stereo_Count	0
5029	Covalent_Unit_Count	1
93502	Rotatable_Bond_Count	4
2723721	Rotatable_Bond_Count	0
581206	Molecular_Weight	170.25
11499271	Isotope_Atom_Count	0
59283	Defined_Atom_Stereo_Count	0
18850	Molecular_Weight	82.14
71443	Non-hydrogen_Atom_Count	13
3167	Hydrogen_Bond_Donor_Count	1
57057056	Molecular_Weight	116.16
10986277	Undefined_Atom_Stereo_Count	0
38282	Defined_Bond_Stereo_Count	0
122980	Defined_Atom_Stereo_Count	0
3522273	Molecular_Weight	449.6
1252264	Defined_Atom_Stereo_Count	0
75614	Defined_Bond_Stereo_Count	0
5971	Isotope_Atom_Count	0
3019	Total_Formal_Charge	0
54739048	Rotatable_Bond_Count	3
224167	Structure_Complexity	450
10883551	Mono_Isotopic_Weight	100.052429494
402875	Isotope_Atom_Count	0
17856473	Defined_Atom_Stereo_Count	0
137207	Covalent_Unit_Count	1
5484366	Undefined_Atom_Stereo_Count	0
400189	Molecular_Weight	439.5
38102	Undefined_Bond_Stereo_Count	0
7987	Undefined_Bond_Stereo_Count	0
137278	Rotatable_Bond_Count	0
18591	Mono_Isotopic_Weight	128.156500638
14022511	Undefined_Atom_Stereo_Count	0
4807	Undefined_Atom_Stereo_Count	0
31279	Mono_Isotopic_Weight	97.089149355
130611	Covalent_Unit_Count	1
146474256	Molecular_Weight	100.12
62823	Exact_Mass	175.12084340
14577080	Mono_Isotopic_Weight	285.0920418
23954	Isotope_Atom_Count	0
43976	Exact_Mass	328.0648413
670580	Molecular_Weight	320.3
135802074	TPSA	226
3033031	Undefined_Bond_Stereo_Count	0
77857	Structure_Complexity	316
74370	Non-hydrogen_Atom_Count	57
220338	Defined_Atom_Stereo_Count	5
129866213	Exact_Mass	502.18282
13334303	Non-hydrogen_Atom_Count	8
70003	Non-hydrogen_Atom_Count	12
3876660	Defined_Bond_Stereo_Count	0
57363	Defined_Atom_Stereo_Count	7
47445	Total_Formal_Charge	0
19782023	Exact_Mass	86.084398327
3011729	Covalent_Unit_Count	1
11637	Tautomer_Count	1
46861540	Hydrogen_Bond_Acceptor_Count	8
44308032	Hydrogen_Bond_Acceptor_Count	4
9821174	Rotatable_Bond_Count	4
8053	Tautomer_Count	1
71426	Defined_Atom_Stereo_Count	2
6422232	Undefined_Atom_Stereo_Count	0
9549179	Undefined_Atom_Stereo_Count	1
69242	Isotope_Atom_Count	0
21359	Tautomer_Count	1
12497562	Hydrogen_Bond_Acceptor_Count	1
86806	Defined_Bond_Stereo_Count	0
550030	XLogP3-AA	1.8
11735949	Rotatable_Bond_Count	4
76771	Covalent_Unit_Count	3
70211	Hydrogen_Bond_Donor_Count	0
44190553	Structure_Complexity	341
12311253	Defined_Bond_Stereo_Count	0
22856734	Hydrogen_Bond_Donor_Count	1
67271	Exact_Mass	456.09662023
670	Defined_Atom_Stereo_Count	0
82343	Rotatable_Bond_Count	6
625277	TPSA	35.5
9892	Mono_Isotopic_Weight	130.02416388
6451257	Defined_Atom_Stereo_Count	4
13052471	Structure_Complexity	205
24389	Hydrogen_Bond_Donor_Count	1
9866186	Total_Formal_Charge	0
61222	Undefined_Atom_Stereo_Count	0
66581	Hydrogen_Bond_Donor_Count	0
132451761	Undefined_Bond_Stereo_Count	0
6418147	Undefined_Bond_Stereo_Count	0
969152	Defined_Atom_Stereo_Count	0
114416774	Mono_Isotopic_Weight	108.068748264
102444	Isotope_Atom_Count	0
843960	Isotope_Atom_Count	0
67473	Covalent_Unit_Count	1
135332658	Undefined_Bond_Stereo_Count	0
7559	Defined_Atom_Stereo_Count	0
221523	Hydrogen_Bond_Acceptor_Count	1
65272	Undefined_Atom_Stereo_Count	1
1584822	Molecular_Weight	319.4
71586929	Structure_Complexity	212
61329	Total_Formal_Charge	0
25612	Mono_Isotopic_Weight	156.151415257
9400	Total_Formal_Charge	0
2757950	Isotope_Atom_Count	0
62705690	Undefined_Atom_Stereo_Count	0
9101	Undefined_Bond_Stereo_Count	0
13877	Defined_Bond_Stereo_Count	0
135564980	XLogP3-AA	3.6
598696	Defined_Atom_Stereo_Count	0
534439	Undefined_Bond_Stereo_Count	0
6715	TPSA	51.2
9844225	TPSA	65.1
3011721	Rotatable_Bond_Count	11
2353	XLogP3-AA	3.6
141344	Covalent_Unit_Count	1
81561	Undefined_Bond_Stereo_Count	0
82652	Defined_Atom_Stereo_Count	0
441033	Covalent_Unit_Count	1
71448903	Mono_Isotopic_Weight	851.17272513
18999022	Undefined_Atom_Stereo_Count	2
71411033	Exact_Mass	97.052763847
23662025	Tautomer_Count	9
8992	Exact_Mass	328.97518251
261790	Tautomer_Count	1
12476687	Hydrogen_Bond_Donor_Count	0
1415	Mono_Isotopic_Weight	336.23005950
37968	Defined_Atom_Stereo_Count	2
139291782	Total_Formal_Charge	0
98633	Rotatable_Bond_Count	3
5743835	Hydrogen_Bond_Acceptor_Count	4
561780	Structure_Complexity	118
71384614	Exact_Mass	182.05790880
85812	Defined_Bond_Stereo_Count	0
54283855	Hydrogen_Bond_Donor_Count	2
57568	Exact_Mass	211.157228913
6766	Defined_Bond_Stereo_Count	0
129317883	Undefined_Atom_Stereo_Count	1
10197646	TPSA	49.6
3356	Total_Formal_Charge	0
129864969	Structure_Complexity	620
5289518	Undefined_Bond_Stereo_Count	0
9829419	Structure_Complexity	903
5281567	XLogP3-AA	2.4
16071605	Undefined_Atom_Stereo_Count	0
138440	Molecular_Weight	100.12
5702279	Non-hydrogen_Atom_Count	36
165506	Hydrogen_Bond_Donor_Count	1
10419137	Molecular_Weight	98.15
3865	Undefined_Bond_Stereo_Count	0
43815	Defined_Atom_Stereo_Count	2
688363	Exact_Mass	238.08412354
12507	Isotope_Atom_Count	0
16767284	XLogP3-AA	1
41541	Total_Formal_Charge	0
12224256	Undefined_Atom_Stereo_Count	0
49993	XLogP3-AA	3.1
122706434	Defined_Atom_Stereo_Count	10
24802551	Defined_Bond_Stereo_Count	0
1205040	Defined_Atom_Stereo_Count	0
34755	Defined_Atom_Stereo_Count	5
85805628	XLogP3-AA	1.6
705485	XLogP3-AA	4
92546	Mono_Isotopic_Weight	224.07970687
23667619	Undefined_Atom_Stereo_Count	0
11251	XLogP3	0.8
135419182	Molecular_Weight	538.22
68993193	Defined_Atom_Stereo_Count	0
12648279	Mono_Isotopic_Weight	134.0498427
11933	Defined_Atom_Stereo_Count	0
27400	Defined_Atom_Stereo_Count	0
65055	Isotope_Atom_Count	0
44454985	Defined_Atom_Stereo_Count	1
105056	Exact_Mass	277.14780704
19751	Hydrogen_Bond_Donor_Count	0
24995524	Exact_Mass	430.0437292
21030991	TPSA	56
5284583	Covalent_Unit_Count	1
2794833	Structure_Complexity	77.8
10426	Undefined_Bond_Stereo_Count	0
91177201	Total_Formal_Charge	0
38200	Mono_Isotopic_Weight	439.745736
6515	Isotope_Atom_Count	0
6918678	Mono_Isotopic_Weight	361.12738533
10616	Hydrogen_Bond_Acceptor_Count	3
76403	Mono_Isotopic_Weight	207.924948
47297	Non-hydrogen_Atom_Count	19
83872	Exact_Mass	258.11504700
443945	Undefined_Bond_Stereo_Count	0
8348	Hydrogen_Bond_Acceptor_Count	2
135505	Covalent_Unit_Count	1
2655	TPSA	201
1141	Total_Formal_Charge	0
70934	Mono_Isotopic_Weight	70.041864811
2916	Total_Formal_Charge	0
398592	Exact_Mass	271.18959167
92180	Hydrogen_Bond_Donor_Count	2
59252	Hydrogen_Bond_Acceptor_Count	3
18762609	Total_Formal_Charge	0
13214	Mono_Isotopic_Weight	161.00888727
102239760	Structure_Complexity	1410
131167766	Molecular_Weight	109.17
20311319	Rotatable_Bond_Count	0
22138130	Total_Formal_Charge	0
16662	XLogP3-AA	4.5
3776755	Defined_Bond_Stereo_Count	0
46174070	Exact_Mass	1352.5732147
134854766	Total_Formal_Charge	0
129744573	Molecular_Weight	111.10
94213	Defined_Atom_Stereo_Count	0
12241083	Defined_Atom_Stereo_Count	0
32995	Total_Formal_Charge	0
18635	Molecular_Weight	104.17
14714356	Undefined_Bond_Stereo_Count	0
137530132	Hydrogen_Bond_Acceptor_Count	5
18310	Mono_Isotopic_Weight	254.073164938
137727	Exact_Mass	78.0469501914
2109	Defined_Bond_Stereo_Count	0
16533	Molecular_Weight	476.6
70680970	Molecular_Weight	472.5
158974	Non-hydrogen_Atom_Count	22
77763	Undefined_Atom_Stereo_Count	0
24866358	Molecular_Weight	471.9
134150175	Structure_Complexity	939
79772	Defined_Atom_Stereo_Count	0
92155	Total_Formal_Charge	0
52148	TPSA	75.6
39622	Mono_Isotopic_Weight	337.11142153
6419942	Molecular_Weight	302.16
17750962	TPSA	134
333942	Hydrogen_Bond_Donor_Count	2
10096344	Covalent_Unit_Count	1
15820874	Rotatable_Bond_Count	4
68739327	Defined_Bond_Stereo_Count	0
31101	Isotope_Atom_Count	0
57448808	Structure_Complexity	139
22323244	Defined_Bond_Stereo_Count	0
25244520	Molecular_Weight	167.03
124087	Covalent_Unit_Count	1
10171348	Defined_Atom_Stereo_Count	0
87251056	Defined_Atom_Stereo_Count	0
22323434	Molecular_Weight	466.5
10442251	Structure_Complexity	214
85802	Molecular_Weight	749.6
25778	Structure_Complexity	314
70696332	Undefined_Bond_Stereo_Count	0
93101	Covalent_Unit_Count	1
120095	Hydrogen_Bond_Acceptor_Count	1
5364509	Hydrogen_Bond_Donor_Count	0
68009554	Non-hydrogen_Atom_Count	23
13015037	Hydrogen_Bond_Acceptor_Count	6
165754425	Covalent_Unit_Count	1
89790337	Undefined_Atom_Stereo_Count	2
3050432	Defined_Atom_Stereo_Count	0
156614100	Covalent_Unit_Count	3
5459792	TPSA	101
121893	TPSA	138
53846432	Total_Formal_Charge	0
130013569	Isotope_Atom_Count	0
96281	Structure_Complexity	550
66965363	Tautomer_Count	53
7660	Covalent_Unit_Count	1
22321577	Undefined_Atom_Stereo_Count	1
1718	Hydrogen_Bond_Acceptor_Count	4
34072	Mono_Isotopic_Weight	114.104465066
54433749	Non-hydrogen_Atom_Count	7
42602260	Defined_Bond_Stereo_Count	0
121494085	Structure_Complexity	2420
76138368	Undefined_Bond_Stereo_Count	0
64617	Non-hydrogen_Atom_Count	20
57035514	Rotatable_Bond_Count	1
56649463	Isotope_Atom_Count	0
24829330	TPSA	137
7065	XLogP3-AA	5.7
67507057	Covalent_Unit_Count	1
55261	Non-hydrogen_Atom_Count	9
223	Undefined_Bond_Stereo_Count	0
21786	Hydrogen_Bond_Donor_Count	1
522065	Molecular_Weight	146.30
3325	Hydrogen_Bond_Donor_Count	4
9959	Total_Formal_Charge	0
72149	Undefined_Atom_Stereo_Count	0
11229	Defined_Atom_Stereo_Count	0
6450806	TPSA	69.5
2676	Undefined_Bond_Stereo_Count	1
4151	Mono_Isotopic_Weight	318.06742811
292659	Defined_Bond_Stereo_Count	0
70278898	Total_Formal_Charge	0
129797954	Structure_Complexity	153
158698	Defined_Bond_Stereo_Count	0
72734332	Undefined_Bond_Stereo_Count	0
60966	Covalent_Unit_Count	2
5364328	Molecular_Weight	79.10
12956087	Rotatable_Bond_Count	0
97860	Total_Formal_Charge	0
9898827	Exact_Mass	127.063328530
12253800	Molecular_Weight	116.16
21464101	Defined_Bond_Stereo_Count	0
56644402	Mono_Isotopic_Weight	382.17936134
146102	Structure_Complexity	364
10941315	Isotope_Atom_Count	0
907178	Rotatable_Bond_Count	7
18428533	Undefined_Bond_Stereo_Count	0
250451	Defined_Atom_Stereo_Count	0
439501	Molecular_Weight	584.7
21534	Non-hydrogen_Atom_Count	6
3035406	Non-hydrogen_Atom_Count	77
656732	Defined_Atom_Stereo_Count	0
5650	Undefined_Bond_Stereo_Count	0
12425324	Non-hydrogen_Atom_Count	9
241	XLogP3	2.1
557796	Covalent_Unit_Count	1
71429557	Isotope_Atom_Count	0
5288382	Hydrogen_Bond_Acceptor_Count	9
6909	Defined_Bond_Stereo_Count	0
21103	Structure_Complexity	235
74356	Total_Formal_Charge	0
4342	Undefined_Atom_Stereo_Count	0
135451156	Hydrogen_Bond_Acceptor_Count	3
17613	Molecular_Weight	150.64
2775003	TPSA	49.3
164656	Molecular_Weight	104.15
87367	Mono_Isotopic_Weight	293.16584950
9898619	Undefined_Bond_Stereo_Count	0
16757820	TPSA	141
10013505	Defined_Bond_Stereo_Count	0
19017814	Hydrogen_Bond_Donor_Count	1
151104	Exact_Mass	232.03480437
1502	Total_Formal_Charge	1
106	Molecular_Weight	185.07
58638	Undefined_Bond_Stereo_Count	0
18467	Covalent_Unit_Count	1
9906	Non-hydrogen_Atom_Count	15
67248272	Hydrogen_Bond_Acceptor_Count	2
65731	Non-hydrogen_Atom_Count	20
130128864	Covalent_Unit_Count	1
133688938	Rotatable_Bond_Count	7
929262	Molecular_Weight	250.38
7610	Mono_Isotopic_Weight	137.084063974
89318	Isotope_Atom_Count	0
18212	Non-hydrogen_Atom_Count	14
59567216	Undefined_Atom_Stereo_Count	0
503760	Isotope_Atom_Count	0
11693521	Hydrogen_Bond_Acceptor_Count	13
1151	Isotope_Atom_Count	0
132586824	Rotatable_Bond_Count	3
521020	Tautomer_Count	1
10197643	Exact_Mass	103.063328530
440141	Isotope_Atom_Count	0
16719897	Mono_Isotopic_Weight	207.06226
788	TPSA	382
93500	Total_Formal_Charge	0
154734215	Undefined_Bond_Stereo_Count	0
16131215	Hydrogen_Bond_Donor_Count	13
10246701	Molecular_Weight	341.4
759	Undefined_Atom_Stereo_Count	21
24561	Hydrogen_Bond_Donor_Count	0
10345214	Hydrogen_Bond_Donor_Count	3
3034287	Hydrogen_Bond_Donor_Count	1
7283	XLogP3-AA	1
6844	Exact_Mass	188.047344113
12431566	TPSA	20.2
80654	Undefined_Bond_Stereo_Count	0
14273	Non-hydrogen_Atom_Count	8
71515466	Undefined_Atom_Stereo_Count	0
36218	TPSA	0
8485	XLogP3	7
10068207	Defined_Atom_Stereo_Count	0
136510	Non-hydrogen_Atom_Count	8
2723610	Exact_Mass	342.11621151
131966078	Defined_Bond_Stereo_Count	0
72775170	Exact_Mass	100.063662883
5388983	Undefined_Bond_Stereo_Count	0
5361	TPSA	534
91746591	Covalent_Unit_Count	1
5319249	Undefined_Bond_Stereo_Count	0
12699188	Hydrogen_Bond_Donor_Count	2
21075	Total_Formal_Charge	0
135618150	Tautomer_Count	9
6371716	Defined_Bond_Stereo_Count	3
15457	Rotatable_Bond_Count	4
441364	Covalent_Unit_Count	2
117120	Rotatable_Bond_Count	4
19571	XLogP3	5.1
13019050	Non-hydrogen_Atom_Count	30
41088	Total_Formal_Charge	0
12701402	Undefined_Atom_Stereo_Count	2
13297684	Total_Formal_Charge	0
27428	Defined_Atom_Stereo_Count	0
91849037	TPSA	190
18984521	Defined_Bond_Stereo_Count	0
4984721	Defined_Bond_Stereo_Count	0
3246	Rotatable_Bond_Count	0
68364859	Undefined_Atom_Stereo_Count	0
11627212	XLogP3-AA	9.4
24752	Hydrogen_Bond_Donor_Count	1
12731218	Defined_Bond_Stereo_Count	0
60196267	Rotatable_Bond_Count	1
123234407	Hydrogen_Bond_Donor_Count	1
171558	Hydrogen_Bond_Acceptor_Count	12
139256539	Undefined_Bond_Stereo_Count	0
72823952	TPSA	40.5
929	Total_Formal_Charge	1
16738693	Total_Formal_Charge	0
10017965	Covalent_Unit_Count	1
551778	TPSA	51.2
83975	Structure_Complexity	639
53960787	Undefined_Atom_Stereo_Count	1
70008	Defined_Atom_Stereo_Count	0
84487	Rotatable_Bond_Count	12
102102855	Mono_Isotopic_Weight	152.05589216
11065	Hydrogen_Bond_Donor_Count	1
10472	Rotatable_Bond_Count	22
20568258	Total_Formal_Charge	0
97289	Mono_Isotopic_Weight	178.0185425
3208	Undefined_Bond_Stereo_Count	2
88077632	Structure_Complexity	185
10866290	Molecular_Weight	111.18
9808998	Mono_Isotopic_Weight	608.17545772
123809	Undefined_Atom_Stereo_Count	1
16211115	Exact_Mass	169.06736854
95890	Hydrogen_Bond_Acceptor_Count	1
18323	Rotatable_Bond_Count	2
6733	Mono_Isotopic_Weight	230.094294304
27552	Defined_Atom_Stereo_Count	0
97832	Defined_Atom_Stereo_Count	0
57148	Hydrogen_Bond_Acceptor_Count	6
9823224	Non-hydrogen_Atom_Count	30
585999	Non-hydrogen_Atom_Count	19
13593923	Exact_Mass	110.073164938
88322	Undefined_Bond_Stereo_Count	0
129866430	Hydrogen_Bond_Acceptor_Count	0
70163	Rotatable_Bond_Count	2
3710788	Defined_Bond_Stereo_Count	0
58831415	Undefined_Atom_Stereo_Count	4
101982233	Hydrogen_Bond_Acceptor_Count	0
73049652	Molecular_Weight	957.9
59516084	Total_Formal_Charge	0
84003	Tautomer_Count	4
37207	Tautomer_Count	1
11534	Rotatable_Bond_Count	0
6537488	Total_Formal_Charge	0
11544171	Non-hydrogen_Atom_Count	24
83517	Isotope_Atom_Count	0
5365371	Mono_Isotopic_Weight	337.334464995
117601215	Hydrogen_Bond_Acceptor_Count	4
57874	Covalent_Unit_Count	1
135456190	XLogP3-AA	4.1
10285780	Defined_Atom_Stereo_Count	0
49866022	Isotope_Atom_Count	0
238053	TPSA	75.2
60196267	Undefined_Bond_Stereo_Count	0
57395184	Mono_Isotopic_Weight	671.2021192
6437358	Covalent_Unit_Count	1
163640634	Undefined_Bond_Stereo_Count	0
4271	TPSA	94.5
15702063	Molecular_Weight	114.14
94297	Molecular_Weight	100.12
101513786	Defined_Bond_Stereo_Count	0
6916033	Undefined_Bond_Stereo_Count	0
12167	Hydrogen_Bond_Donor_Count	0
91012209	Defined_Bond_Stereo_Count	0
55958	Structure_Complexity	411
80416	Mono_Isotopic_Weight	177.0112047
300977	Exact_Mass	89.084063974
21673601	Hydrogen_Bond_Donor_Count	1
6420039	Tautomer_Count	1
246476	Structure_Complexity	496
444972	Covalent_Unit_Count	1
20670051	Molecular_Weight	318.8
14168316	TPSA	75.8
15517313	Exact_Mass	689.64509729
70403801	Structure_Complexity	260
63088	Exact_Mass	325.880439
163090690	Rotatable_Bond_Count	11
513917	Molecular_Weight	256.21
74441105	Undefined_Atom_Stereo_Count	2
56949747	Rotatable_Bond_Count	3
84647680	Covalent_Unit_Count	1
134399	Undefined_Bond_Stereo_Count	0
72392	Hydrogen_Bond_Donor_Count	8
120942	Hydrogen_Bond_Acceptor_Count	7
3568	Exact_Mass	338.10016753
65111	Total_Formal_Charge	0
33344	Rotatable_Bond_Count	0
12278548	Defined_Bond_Stereo_Count	0
66623496	Hydrogen_Bond_Donor_Count	0
64710	Defined_Atom_Stereo_Count	9
53701416	Covalent_Unit_Count	1
54125435	Undefined_Atom_Stereo_Count	0
11182587	Isotope_Atom_Count	0
43312181	Rotatable_Bond_Count	2
123982	Hydrogen_Bond_Acceptor_Count	5
71583051	Structure_Complexity	614
83814964	Structure_Complexity	88.4
11197252	Isotope_Atom_Count	0
5702011	Exact_Mass	405.16099414
10814237	Tautomer_Count	1
57053600	Isotope_Atom_Count	0
73415790	Exact_Mass	663.10912256
66063	Hydrogen_Bond_Acceptor_Count	2
14240	Molecular_Weight	171.28
449169	Hydrogen_Bond_Donor_Count	2
17174	Defined_Bond_Stereo_Count	0
16220111	Undefined_Atom_Stereo_Count	0
14130	Structure_Complexity	212
9897	Mono_Isotopic_Weight	144.03981395
5378708	Non-hydrogen_Atom_Count	42
44353367	Structure_Complexity	506
15950005	Molecular_Weight	389.5
6366720	Structure_Complexity	365
53833568	Covalent_Unit_Count	1
146468	Non-hydrogen_Atom_Count	14
74209	Rotatable_Bond_Count	15
637794	Non-hydrogen_Atom_Count	12
170944	Hydrogen_Bond_Donor_Count	1
20190619	Isotope_Atom_Count	0
5323977	Mono_Isotopic_Weight	114.042927438
21093792	Rotatable_Bond_Count	4
40500	Molecular_Weight	395.3
2719	Hydrogen_Bond_Acceptor_Count	3
22978371	Undefined_Bond_Stereo_Count	0
6437875	Undefined_Bond_Stereo_Count	0
85542272	Rotatable_Bond_Count	2
177700	Covalent_Unit_Count	1
5351457	Molecular_Weight	654.8
9460	Defined_Atom_Stereo_Count	0
13418379	Exact_Mass	112.100048391
318280	Total_Formal_Charge	0
91419082	Undefined_Atom_Stereo_Count	1
96568	Tautomer_Count	3
63141	Molecular_Weight	516.11
21884954	Isotope_Atom_Count	0
3029012	Molecular_Weight	181.19
17764882	Exact_Mass	116.058577502
23679004	Isotope_Atom_Count	0
65067	Defined_Bond_Stereo_Count	0
64722	Defined_Atom_Stereo_Count	0
79484	Structure_Complexity	171
16362	Mono_Isotopic_Weight	461.22786888
208922	XLogP3-AA	4
119083105	Molecular_Weight	107.11
439456	Molecular_Weight	420.10
4382	Undefined_Atom_Stereo_Count	0
65650	Structure_Complexity	250
6223	Mono_Isotopic_Weight	326.03949928
53702849	Mono_Isotopic_Weight	101.047678466
73902	Exact_Mass	284.1080262
24083	Total_Formal_Charge	0
6913588	Structure_Complexity	177
3465817	TPSA	104
53917786	Undefined_Bond_Stereo_Count	0
73246	Structure_Complexity	982
63834	Structure_Complexity	608
70128954	Undefined_Bond_Stereo_Count	0
2737701	Mono_Isotopic_Weight	112.04367633
10989	Mono_Isotopic_Weight	158.167065321
12845046	Structure_Complexity	76.8
4319	Total_Formal_Charge	0
8594	Undefined_Atom_Stereo_Count	0
928685	Defined_Bond_Stereo_Count	0
3613700	Molecular_Weight	204.05
5948958	Rotatable_Bond_Count	2
88133875	Hydrogen_Bond_Donor_Count	0
56955286	Exact_Mass	367.168462302
168381	Defined_Atom_Stereo_Count	1
8011	Hydrogen_Bond_Donor_Count	1
14796	Mono_Isotopic_Weight	105.9110070
40478	Hydrogen_Bond_Donor_Count	0
57397462	Defined_Bond_Stereo_Count	0
227430	Rotatable_Bond_Count	6
159325	Structure_Complexity	889
68668153	Mono_Isotopic_Weight	240.089877630
35087	Covalent_Unit_Count	1
7251	Isotope_Atom_Count	0
141738	Hydrogen_Bond_Acceptor_Count	0
5330196	Defined_Atom_Stereo_Count	0
254598	Hydrogen_Bond_Donor_Count	0
69251	TPSA	17.1
1551	Isotope_Atom_Count	0
854749	Exact_Mass	248.094963011
101973938	Mono_Isotopic_Weight	411.24095853
16739648	Hydrogen_Bond_Acceptor_Count	3
70685495	Isotope_Atom_Count	0
134694981	Undefined_Bond_Stereo_Count	1
5288525	Covalent_Unit_Count	1
13551	Rotatable_Bond_Count	2
296051	Defined_Atom_Stereo_Count	0
134826477	Rotatable_Bond_Count	19
96821	Molecular_Weight	176.17
82259	Undefined_Bond_Stereo_Count	0
12873460	TPSA	239
161656	Tautomer_Count	1
117188816	TPSA	64.1
71315333	Undefined_Bond_Stereo_Count	0
39147	Rotatable_Bond_Count	6
517985	Total_Formal_Charge	0
93147	Hydrogen_Bond_Acceptor_Count	2
49869312	TPSA	63.6
11698194	Covalent_Unit_Count	1
21718901	Defined_Bond_Stereo_Count	0
11083864	Exact_Mass	114.068079557
75092	XLogP3	1.5
30190	Defined_Atom_Stereo_Count	0
5971	Structure_Complexity	81.5
26009888	Defined_Atom_Stereo_Count	0
136507	Mono_Isotopic_Weight	108.057514874
14263	Rotatable_Bond_Count	0
59296000	Non-hydrogen_Atom_Count	32
54502555	Undefined_Atom_Stereo_Count	1
146472812	XLogP3-AA	4.4
5287792	Total_Formal_Charge	0
543	Hydrogen_Bond_Acceptor_Count	6
45085104	Defined_Atom_Stereo_Count	0
60746	Mono_Isotopic_Weight	367.0934984
16769	Total_Formal_Charge	0
498033	Covalent_Unit_Count	1
102856	Total_Formal_Charge	0
9844557	XLogP3-AA	6.5
439498	TPSA	93.4
24949552	Undefined_Bond_Stereo_Count	0
6432906	Non-hydrogen_Atom_Count	10
11271	Molecular_Weight	114.19
13649426	Mono_Isotopic_Weight	248.1080262
76958691	Structure_Complexity	515
642157	Rotatable_Bond_Count	0
439280	Exact_Mass	220.08479225
6432	Hydrogen_Bond_Acceptor_Count	8
6327546	Non-hydrogen_Atom_Count	16
131954773	Hydrogen_Bond_Acceptor_Count	9
46869955	Non-hydrogen_Atom_Count	29
64962	Defined_Bond_Stereo_Count	0
22830	Rotatable_Bond_Count	4
78979	Total_Formal_Charge	0
698364	Hydrogen_Bond_Donor_Count	2
79142	Mono_Isotopic_Weight	114.068079557
89205570	Rotatable_Bond_Count	0
22349217	Structure_Complexity	110
4109	Defined_Bond_Stereo_Count	0
24901347	Rotatable_Bond_Count	11
135542606	Defined_Atom_Stereo_Count	0
10237	Total_Formal_Charge	0
154184678	Undefined_Atom_Stereo_Count	2
67434749	TPSA	52
1382043	Mono_Isotopic_Weight	107.048347172
5308742	Rotatable_Bond_Count	3
92934	Undefined_Atom_Stereo_Count	0
3595299	Defined_Bond_Stereo_Count	0
80220	Hydrogen_Bond_Donor_Count	2
5310985	Non-hydrogen_Atom_Count	23
517327	Rotatable_Bond_Count	1
52999	Exact_Mass	381.07430439
11104792	Molecular_Weight	811.0
71718495	Hydrogen_Bond_Donor_Count	2
62583	Undefined_Atom_Stereo_Count	1
447213	Total_Formal_Charge	0
66545758	Hydrogen_Bond_Donor_Count	2
418587	Mono_Isotopic_Weight	677.30474055
16387	Total_Formal_Charge	0
89572	Molecular_Weight	214.64
721137	Hydrogen_Bond_Acceptor_Count	4
4520	Molecular_Weight	176.22
7026	Hydrogen_Bond_Acceptor_Count	4
134836185	Isotope_Atom_Count	0
35969	TPSA	154
3744660	Undefined_Bond_Stereo_Count	0
126968951	Hydrogen_Bond_Donor_Count	4
44353367	Defined_Atom_Stereo_Count	0
4262071	Non-hydrogen_Atom_Count	24
90530	Covalent_Unit_Count	1
19709	Defined_Bond_Stereo_Count	0
33547	Undefined_Bond_Stereo_Count	0
46934729	Defined_Atom_Stereo_Count	0
217634	Total_Formal_Charge	0
2724277	Hydrogen_Bond_Donor_Count	0
44338970	Hydrogen_Bond_Donor_Count	3
10773310	Exact_Mass	163.110947427
3579812	Structure_Complexity	1140
21157625	Isotope_Atom_Count	0
24916942	Hydrogen_Bond_Acceptor_Count	8
68739327	Isotope_Atom_Count	0
3801344	Hydrogen_Bond_Donor_Count	0
53394791	Defined_Atom_Stereo_Count	0
23680156	Total_Formal_Charge	0
40550	Mono_Isotopic_Weight	267.05179866
2098	Covalent_Unit_Count	1
23719520	Rotatable_Bond_Count	2
16543	Rotatable_Bond_Count	0
342570	Hydrogen_Bond_Donor_Count	1
64968	Defined_Bond_Stereo_Count	0
138510	Isotope_Atom_Count	0
822	Isotope_Atom_Count	0
6956382	Hydrogen_Bond_Donor_Count	0
12470257	Covalent_Unit_Count	1
39198	Tautomer_Count	2
127601	Non-hydrogen_Atom_Count	28
23666830	Isotope_Atom_Count	0
23380334	Total_Formal_Charge	0
4205037	TPSA	74.8
69640	Hydrogen_Bond_Acceptor_Count	2
5327073	Rotatable_Bond_Count	11
71849	Undefined_Atom_Stereo_Count	0
524954	Exact_Mass	106.078250319
13546	Covalent_Unit_Count	1
105427064	Mono_Isotopic_Weight	116.047344113
21889252	TPSA	46.5
969014	Undefined_Atom_Stereo_Count	0
12452021	Mono_Isotopic_Weight	113.084063974
9549180	Defined_Atom_Stereo_Count	3
70338843	Structure_Complexity	102
5459220	Defined_Bond_Stereo_Count	2
3034043	Rotatable_Bond_Count	8
5280961	Mono_Isotopic_Weight	270.05282342
11251522	Hydrogen_Bond_Acceptor_Count	12
17310	Total_Formal_Charge	1
35876	Undefined_Atom_Stereo_Count	0
45791189	Defined_Bond_Stereo_Count	0
774262	Undefined_Bond_Stereo_Count	0
54670067	Defined_Atom_Stereo_Count	2
263	Structure_Complexity	13.1
213013	Total_Formal_Charge	0
44565776	Undefined_Bond_Stereo_Count	0
86213522	Defined_Atom_Stereo_Count	0
134613	Non-hydrogen_Atom_Count	20
54502555	Rotatable_Bond_Count	2
53880	Covalent_Unit_Count	1
24873435	Isotope_Atom_Count	0
136085	XLogP3-AA	0.3
3940	Defined_Atom_Stereo_Count	0
9812645	Tautomer_Count	1001
87219146	Mono_Isotopic_Weight	115.063328530
426756	Undefined_Bond_Stereo_Count	0
92307	Covalent_Unit_Count	2
58996537	Hydrogen_Bond_Donor_Count	1
13248127	Isotope_Atom_Count	0
123909	Hydrogen_Bond_Acceptor_Count	24
31411	Rotatable_Bond_Count	4
4026	Rotatable_Bond_Count	9
14106676	Molecular_Weight	114.14
38253	Non-hydrogen_Atom_Count	17
54120990	Undefined_Atom_Stereo_Count	0
53886733	Hydrogen_Bond_Donor_Count	0
71583044	Undefined_Atom_Stereo_Count	0
13399110	Hydrogen_Bond_Donor_Count	0
98148766	Covalent_Unit_Count	1
61680	Undefined_Bond_Stereo_Count	0
42768	Exact_Mass	520.22725974
54143259	Mono_Isotopic_Weight	98.073164938
28759	Undefined_Bond_Stereo_Count	0
82418987	Molecular_Weight	111.14
21702831	Mono_Isotopic_Weight	111.068413911
6426740	Structure_Complexity	675
21793339	Rotatable_Bond_Count	0
11274968	Total_Formal_Charge	0
45076013	Undefined_Bond_Stereo_Count	0
656981	Covalent_Unit_Count	2
10197656	Hydrogen_Bond_Acceptor_Count	3
53837146	Rotatable_Bond_Count	3
28187	Tautomer_Count	1
136420	Mono_Isotopic_Weight	312.09977361
73755067	Mono_Isotopic_Weight	376.07706310
78576	Undefined_Bond_Stereo_Count	0
60209141	Tautomer_Count	36
93221	Non-hydrogen_Atom_Count	51
177976	Isotope_Atom_Count	0
16318	Non-hydrogen_Atom_Count	22
9548802	Undefined_Bond_Stereo_Count	0
8223	Hydrogen_Bond_Donor_Count	3
123264207	Undefined_Atom_Stereo_Count	0
71674	Defined_Atom_Stereo_Count	29
23665591	Exact_Mass	237.00395384
519200	Exact_Mass	100.052429494
136750	Defined_Atom_Stereo_Count	0
90753032	Isotope_Atom_Count	0
6456015	TPSA	172
3852430	Hydrogen_Bond_Acceptor_Count	3
698931	Isotope_Atom_Count	0
21067	Hydrogen_Bond_Acceptor_Count	3
8540	Structure_Complexity	345
10855407	TPSA	20.3
2734231	Non-hydrogen_Atom_Count	23
3032537	Rotatable_Bond_Count	3
5328940	Undefined_Atom_Stereo_Count	0
1855	Exact_Mass	214.09535693
73554303	Defined_Atom_Stereo_Count	0
11528340	Molecular_Weight	118.13
1358	Total_Formal_Charge	0
3988	Tautomer_Count	2
143714846	Defined_Atom_Stereo_Count	0
20394920	Exact_Mass	115.063328530
2106900	Structure_Complexity	72.9
18730046	Exact_Mass	98.109550447
123117	Total_Formal_Charge	0
71459166	Undefined_Bond_Stereo_Count	0
43179	TPSA	20.2
10579	Defined_Bond_Stereo_Count	0
82202	Tautomer_Count	2
23385871	Hydrogen_Bond_Acceptor_Count	1
3962	Hydrogen_Bond_Donor_Count	1
91202	Covalent_Unit_Count	1
13925	Hydrogen_Bond_Donor_Count	1
71895	Exact_Mass	269.10519334
216210	Molecular_Weight	471.5
6437827	Non-hydrogen_Atom_Count	24
85237	Undefined_Bond_Stereo_Count	0
53243273	Mono_Isotopic_Weight	115.063328530
75691	Defined_Atom_Stereo_Count	0
15575619	Mono_Isotopic_Weight	752.41490014
133655777	Total_Formal_Charge	0
67435079	Defined_Bond_Stereo_Count	0
81382	Non-hydrogen_Atom_Count	30
155293383	Molecular_Weight	877.0
135678081	Isotope_Atom_Count	0
45788574	Isotope_Atom_Count	0
3032576	Non-hydrogen_Atom_Count	24
1194	TPSA	49.7
14088498	Structure_Complexity	122
37632	Total_Formal_Charge	0
67058	Covalent_Unit_Count	1
65490	Covalent_Unit_Count	1
66766582	Defined_Atom_Stereo_Count	0
21103	TPSA	41.5
57394197	Exact_Mass	494.21403277
44237360	Non-hydrogen_Atom_Count	44
81391	Undefined_Bond_Stereo_Count	0
7022	Mono_Isotopic_Weight	239.02522894
6857732	Covalent_Unit_Count	1
23649245	Tautomer_Count	5
448055	Hydrogen_Bond_Donor_Count	1
140719461	Rotatable_Bond_Count	0
199968	Isotope_Atom_Count	0
1359	Non-hydrogen_Atom_Count	15
11048104	Defined_Atom_Stereo_Count	0
87114	Non-hydrogen_Atom_Count	17
26108	Non-hydrogen_Atom_Count	17
10953432	Mono_Isotopic_Weight	98.036779430
9643	Hydrogen_Bond_Donor_Count	0
9837419	Molecular_Weight	223.58
31203	Hydrogen_Bond_Donor_Count	0
735091	Defined_Atom_Stereo_Count	0
24608	Hydrogen_Bond_Acceptor_Count	2
64740	Non-hydrogen_Atom_Count	25
24090	TPSA	0
16132316	Structure_Complexity	7850
9801597	Covalent_Unit_Count	1
145567316	Hydrogen_Bond_Donor_Count	1
22002061	Covalent_Unit_Count	1
64948	Defined_Atom_Stereo_Count	0
82140	Isotope_Atom_Count	0
14454	Structure_Complexity	48.1
101375997	Defined_Atom_Stereo_Count	31
129675901	Total_Formal_Charge	0
15256327	Covalent_Unit_Count	1
65832	XLogP3	3.8
773	Molecular_Weight	155.15
11733	Defined_Bond_Stereo_Count	0
45345	TPSA	21.7
57391320	Covalent_Unit_Count	1
16437056	Mono_Isotopic_Weight	113.058911855
54477	Defined_Atom_Stereo_Count	1
137512	Total_Formal_Charge	0
56841628	Total_Formal_Charge	4
14535399	Mono_Isotopic_Weight	106.9899821
5365327	Hydrogen_Bond_Acceptor_Count	2
123979	Molecular_Weight	240.25
24867465	Non-hydrogen_Atom_Count	22
633091	Total_Formal_Charge	0
70732	Defined_Atom_Stereo_Count	0
964	Non-hydrogen_Atom_Count	7
17946	Non-hydrogen_Atom_Count	11
22081030	Isotope_Atom_Count	0
31515	Molecular_Weight	293.08
4622	Undefined_Bond_Stereo_Count	0
54688693	Undefined_Bond_Stereo_Count	0
7917	Non-hydrogen_Atom_Count	7
317883	Defined_Atom_Stereo_Count	0
71695437	Non-hydrogen_Atom_Count	6
65770	Undefined_Bond_Stereo_Count	0
74339141	Hydrogen_Bond_Acceptor_Count	9
2994	Rotatable_Bond_Count	11
12289749	Defined_Atom_Stereo_Count	0
53895224	Isotope_Atom_Count	0
16351	Covalent_Unit_Count	1
10885665	Undefined_Bond_Stereo_Count	0
90997437	Rotatable_Bond_Count	6
12836140	Molecular_Weight	111.18
1451	Undefined_Bond_Stereo_Count	0
12599352	Defined_Atom_Stereo_Count	0
129694466	Molecular_Weight	952.4
222155	Covalent_Unit_Count	1
9567	Undefined_Bond_Stereo_Count	0
19768189	Exact_Mass	115.063328530
44392124	Undefined_Bond_Stereo_Count	0
66604	Mono_Isotopic_Weight	207.9330139
86170	Covalent_Unit_Count	1
17756737	Hydrogen_Bond_Acceptor_Count	4
154515463	Hydrogen_Bond_Donor_Count	1
12695795	Defined_Bond_Stereo_Count	0
65909	Molecular_Weight	428.5
44296776	Molecular_Weight	490.7
45934213	Mono_Isotopic_Weight	490.0846756
4285	XLogP3-AA	6.3
30295	Structure_Complexity	219
905	Covalent_Unit_Count	1
443943	Exact_Mass	454.1922300
12642	Isotope_Atom_Count	0
31378	XLogP3	1.7
22246713	Total_Formal_Charge	0
185682	Molecular_Weight	83.09
9842127	XLogP3-AA	4.7
128814	Hydrogen_Bond_Acceptor_Count	6
70721	Exact_Mass	110.073164938
10387	Hydrogen_Bond_Acceptor_Count	2
90998196	Non-hydrogen_Atom_Count	7
24916760	Covalent_Unit_Count	1
11727234	XLogP3-AA	3
2898877	Hydrogen_Bond_Donor_Count	2
17806258	Hydrogen_Bond_Acceptor_Count	2
109016492	Isotope_Atom_Count	0
20751579	Exact_Mass	472.25331412
46591	Exact_Mass	215.175952981
12111	Isotope_Atom_Count	0
57250923	Molecular_Weight	110.15
6323236	Undefined_Atom_Stereo_Count	0
6918293	Isotope_Atom_Count	0
43226	Defined_Bond_Stereo_Count	0
681255	TPSA	68.5
6680	Defined_Atom_Stereo_Count	0
133126830	Covalent_Unit_Count	1
9960287	Covalent_Unit_Count	2
471161	Isotope_Atom_Count	0
36584	Rotatable_Bond_Count	5
156616838	Mono_Isotopic_Weight	342.11621151
10246505	Mono_Isotopic_Weight	338.11542367
9753	Defined_Bond_Stereo_Count	0
43961	Covalent_Unit_Count	1
6603759	Structure_Complexity	380
18787571	TPSA	25.8
12491609	Molecular_Weight	112.17
32184	Defined_Atom_Stereo_Count	0
2417	Isotope_Atom_Count	0
4635	Structure_Complexity	553
135554441	Total_Formal_Charge	0
10962	Non-hydrogen_Atom_Count	5
90427261	Rotatable_Bond_Count	2
91069096	Structure_Complexity	129
6918412	Mono_Isotopic_Weight	871.36264935
123914282	Covalent_Unit_Count	1
10772946	Total_Formal_Charge	0
7252	Undefined_Atom_Stereo_Count	0
8551	Rotatable_Bond_Count	1
66169	Undefined_Atom_Stereo_Count	0
23262349	Hydrogen_Bond_Acceptor_Count	1
12178	Non-hydrogen_Atom_Count	7
659840	Tautomer_Count	3
41171	Tautomer_Count	1
256411	Hydrogen_Bond_Donor_Count	2
44462985	Hydrogen_Bond_Donor_Count	0
461279	Defined_Bond_Stereo_Count	0
91248258	Defined_Bond_Stereo_Count	0
16038399	Total_Formal_Charge	0
40780	Rotatable_Bond_Count	12
24181476	Defined_Atom_Stereo_Count	0
21080	Rotatable_Bond_Count	4
13026389	TPSA	0
908	Undefined_Bond_Stereo_Count	0
58438464	XLogP3-AA	4.4
2723922	TPSA	23.1
7289	Isotope_Atom_Count	0
11566378	Hydrogen_Bond_Donor_Count	2
12291486	Hydrogen_Bond_Donor_Count	0
27375	Exact_Mass	212.0716407
74950937	Hydrogen_Bond_Donor_Count	6
45267632	Non-hydrogen_Atom_Count	33
151318	Defined_Atom_Stereo_Count	0
136305445	Exact_Mass	114.00654193
16212880	Defined_Bond_Stereo_Count	0
54385	TPSA	64.3
6805	TPSA	37.3
9901617	Non-hydrogen_Atom_Count	20
657309	Isotope_Atom_Count	0
102848	Defined_Atom_Stereo_Count	0
97736	Exact_Mass	239.094628657
446987	Defined_Atom_Stereo_Count	2
68511084	Isotope_Atom_Count	0
90996	Molecular_Weight	328.9
114426	Mono_Isotopic_Weight	114.068079557
443239	Undefined_Atom_Stereo_Count	0
87412180	Total_Formal_Charge	0
19067979	Defined_Bond_Stereo_Count	0
65772	TPSA	80.2
845588	Defined_Bond_Stereo_Count	0
529389	Defined_Bond_Stereo_Count	0
20767638	Molecular_Weight	113.12
445715	Total_Formal_Charge	0
15950520	Undefined_Bond_Stereo_Count	0
54572926	TPSA	53.5
57549763	Undefined_Atom_Stereo_Count	3
29742	Hydrogen_Bond_Donor_Count	2
9097	Total_Formal_Charge	0
2365	Hydrogen_Bond_Acceptor_Count	2
139585852	TPSA	60.9
17881	Undefined_Atom_Stereo_Count	0
36975	Undefined_Atom_Stereo_Count	1
29761	XLogP3	2.8
71200	Exact_Mass	292.215078140
79998	Tautomer_Count	1
13215601	Molecular_Weight	88.11
155354	Defined_Bond_Stereo_Count	0
18195	Covalent_Unit_Count	1
15139	Undefined_Atom_Stereo_Count	0
153380590	Hydrogen_Bond_Donor_Count	0
5463081	TPSA	0
54178371	Non-hydrogen_Atom_Count	7
6334	TPSA	0
54698175	Mono_Isotopic_Weight	542.17049376
439298	Defined_Atom_Stereo_Count	12
442372	Undefined_Bond_Stereo_Count	0
60789	Defined_Bond_Stereo_Count	0
28674	Exact_Mass	99.043261792
53707229	Mono_Isotopic_Weight	94.041864811
134436906	TPSA	112
21450	Hydrogen_Bond_Acceptor_Count	3
10669	Covalent_Unit_Count	1
442965	Tautomer_Count	1
973122	Hydrogen_Bond_Donor_Count	2
11652722	Covalent_Unit_Count	1
63959	Tautomer_Count	4
22182	Mono_Isotopic_Weight	392.1997337
6999941	TPSA	17.1
94527	Isotope_Atom_Count	0
23617198	Molecular_Weight	458.9
44571915	Undefined_Bond_Stereo_Count	0
162569	Hydrogen_Bond_Acceptor_Count	6
56835143	Undefined_Atom_Stereo_Count	1
3552	Hydrogen_Bond_Acceptor_Count	5
15174590	Undefined_Bond_Stereo_Count	0
23713799	Isotope_Atom_Count	0
155290	TPSA	12.5
86210061	Structure_Complexity	267
3081743	TPSA	62.3
200424	Tautomer_Count	1
9934033	Mono_Isotopic_Weight	425.20271676
58158	Tautomer_Count	1
1077	Undefined_Atom_Stereo_Count	4
28102	Isotope_Atom_Count	0
17564	Exact_Mass	263.188529040
129738164	Defined_Bond_Stereo_Count	0
3208	Defined_Atom_Stereo_Count	0
57586910	Defined_Bond_Stereo_Count	0
136704	Structure_Complexity	63.4
54575456	TPSA	167
69272932	Rotatable_Bond_Count	8
20307234	Undefined_Bond_Stereo_Count	0
16133899	Molecular_Weight	6094
1929	Hydrogen_Bond_Donor_Count	1
160743752	Molecular_Weight	108.14
138358	Defined_Bond_Stereo_Count	0
9839243	Tautomer_Count	80
44717198	Mono_Isotopic_Weight	229.1624925
29339	Isotope_Atom_Count	0
5280483	Tautomer_Count	27
56929	Undefined_Bond_Stereo_Count	0
139081837	Hydrogen_Bond_Acceptor_Count	4
44129648	Molecular_Weight	418.5
123639879	Structure_Complexity	58.7
5742590	Undefined_Bond_Stereo_Count	0
5326956	Molecular_Weight	537.5
9866186	Rotatable_Bond_Count	4
5507	Covalent_Unit_Count	1
81561	Molecular_Weight	160.21
9931	Hydrogen_Bond_Donor_Count	0
160606	XLogP3-AA	7.2
20724774	Exact_Mass	101.047678466
17090	Non-hydrogen_Atom_Count	10
75227	Rotatable_Bond_Count	1
54360	TPSA	35.9
14208378	Defined_Bond_Stereo_Count	0
8485	TPSA	62.8
1222	Hydrogen_Bond_Donor_Count	3
141829	Tautomer_Count	1
95209	Molecular_Weight	181.26
375	Covalent_Unit_Count	1
1368742	Non-hydrogen_Atom_Count	21
138319323	Structure_Complexity	756
4317	Defined_Atom_Stereo_Count	0
124149361	Structure_Complexity	40.7
86398	Total_Formal_Charge	0
971023	Hydrogen_Bond_Acceptor_Count	2
23677967	Isotope_Atom_Count	0
56841980	Hydrogen_Bond_Donor_Count	5
129815925	Undefined_Atom_Stereo_Count	0
67113727	Structure_Complexity	277
61635	Defined_Atom_Stereo_Count	0
54345713	Rotatable_Bond_Count	2
156599225	Rotatable_Bond_Count	10
71394753	Non-hydrogen_Atom_Count	20
5308	Exact_Mass	272.0716407
22385728	Hydrogen_Bond_Acceptor_Count	1
47660	Isotope_Atom_Count	0
10409873	Tautomer_Count	2
656665	Undefined_Atom_Stereo_Count	0
102429819	TPSA	40.5
8795	Covalent_Unit_Count	1
146681950	Defined_Atom_Stereo_Count	18
135565884	Defined_Atom_Stereo_Count	1
69885	Undefined_Bond_Stereo_Count	0
5783	Defined_Atom_Stereo_Count	0
48918	Undefined_Bond_Stereo_Count	0
54003766	Defined_Bond_Stereo_Count	0
8754	Structure_Complexity	240
657141	Undefined_Atom_Stereo_Count	0
73949	Undefined_Bond_Stereo_Count	0
14416018	Rotatable_Bond_Count	0
32345	Isotope_Atom_Count	0
1707	Isotope_Atom_Count	0
84815	Rotatable_Bond_Count	4
58014	Hydrogen_Bond_Acceptor_Count	8
91749	Non-hydrogen_Atom_Count	15
208832	Hydrogen_Bond_Acceptor_Count	3
131839580	Mono_Isotopic_Weight	681.24869948
54757474	Defined_Atom_Stereo_Count	0
53846427	Defined_Bond_Stereo_Count	0
26868	Structure_Complexity	331
715567	TPSA	69
113342	XLogP3-AA	1
45138674	Non-hydrogen_Atom_Count	41
137090	Rotatable_Bond_Count	0
21669	Undefined_Atom_Stereo_Count	0
20138	Defined_Atom_Stereo_Count	0
54234173	Undefined_Atom_Stereo_Count	0
161810	Total_Formal_Charge	0
11349000	Exact_Mass	362.12127520
59279784	Undefined_Bond_Stereo_Count	0
63093	Tautomer_Count	1
75987474	Rotatable_Bond_Count	3
4995	Non-hydrogen_Atom_Count	9
17933153	Rotatable_Bond_Count	4
9805430	Defined_Atom_Stereo_Count	4
123190012	Hydrogen_Bond_Donor_Count	0
837924	Undefined_Atom_Stereo_Count	0
56626	Hydrogen_Bond_Donor_Count	1
162990684	Undefined_Bond_Stereo_Count	0
123642	Mono_Isotopic_Weight	408.24129289
59665343	Covalent_Unit_Count	1
7026090	Total_Formal_Charge	0
95890	TPSA	17.8
13005	Structure_Complexity	122
147707445	Total_Formal_Charge	0
8986	Tautomer_Count	1
24866867	Covalent_Unit_Count	1
6529	Defined_Atom_Stereo_Count	0
119544	Hydrogen_Bond_Acceptor_Count	3
31620	Molecular_Weight	548.6
37427	Tautomer_Count	1
15122	TPSA	0
165491	Mono_Isotopic_Weight	665.10096317
66683198	Non-hydrogen_Atom_Count	24
8016	Defined_Bond_Stereo_Count	0
44310065	Hydrogen_Bond_Donor_Count	1
136458760	Covalent_Unit_Count	1
87243	Mono_Isotopic_Weight	210.05282342
6658	TPSA	26.3
123870	Non-hydrogen_Atom_Count	11
31779	TPSA	101
83322	Molecular_Weight	392.2
8912	Total_Formal_Charge	0
692	XLogP3-AA	2.3
5599	Undefined_Atom_Stereo_Count	0
638380	TPSA	23.8
11358	Hydrogen_Bond_Acceptor_Count	1
91114160	Undefined_Bond_Stereo_Count	0
26091	Tautomer_Count	1
25217475	Defined_Atom_Stereo_Count	3
5062	Structure_Complexity	559
19392414	Defined_Bond_Stereo_Count	0
65125	Exact_Mass	112.03851076
6437842	Undefined_Atom_Stereo_Count	1
9570092	TPSA	57.9
14294229	Total_Formal_Charge	0
5470	XLogP3-AA	2.4
11527282	Exact_Mass	604.25981710
1268252	Molecular_Weight	184.2
5322111	Isotope_Atom_Count	0
5288596	Total_Formal_Charge	0
8002585	TPSA	58.6
54562506	TPSA	20.2
9244	Defined_Atom_Stereo_Count	0
55939	Hydrogen_Bond_Donor_Count	1
53326398	Hydrogen_Bond_Donor_Count	2
13245696	Structure_Complexity	103
54006055	Defined_Bond_Stereo_Count	0
49867938	Isotope_Atom_Count	0
92301	Exact_Mass	152.120115130
4599	Undefined_Bond_Stereo_Count	0
12303662	Isotope_Atom_Count	0
37271	Total_Formal_Charge	0
80472094	Undefined_Bond_Stereo_Count	0
14362	Isotope_Atom_Count	0
29498	Isotope_Atom_Count	0
20696068	Hydrogen_Bond_Donor_Count	1
7360	Hydrogen_Bond_Donor_Count	1
9228	Exact_Mass	119.037113783
61719	Rotatable_Bond_Count	4
71360	Isotope_Atom_Count	0
6553	Molecular_Weight	201.89
517637	TPSA	52.6
13761352	Hydrogen_Bond_Donor_Count	0
129606985	Structure_Complexity	756
1103	Tautomer_Count	1
10219396	Mono_Isotopic_Weight	107.037113783
18755630	TPSA	9.2
25512	Undefined_Bond_Stereo_Count	0
5288075	Non-hydrogen_Atom_Count	54
55255930	Isotope_Atom_Count	0
12490222	Undefined_Atom_Stereo_Count	0
53973376	Hydrogen_Bond_Donor_Count	1
17891	Defined_Atom_Stereo_Count	0
3382778	Hydrogen_Bond_Acceptor_Count	8
15982018	Isotope_Atom_Count	0
37036	Tautomer_Count	1
5885	Molecular_Weight	743.4
261491	Isotope_Atom_Count	0
10326800	Exact_Mass	640.36247064
133126687	Undefined_Bond_Stereo_Count	0
68156	Mono_Isotopic_Weight	70.053098200
19871	Hydrogen_Bond_Acceptor_Count	1
11886769	TPSA	190
68023	Hydrogen_Bond_Donor_Count	0
39784	Isotope_Atom_Count	0
7526	Undefined_Bond_Stereo_Count	0
21608018	Total_Formal_Charge	0
13699300	TPSA	35.5
45271369	XLogP3-AA	3.7
3578945	Defined_Atom_Stereo_Count	0
12634652	Hydrogen_Bond_Donor_Count	0
519559	Isotope_Atom_Count	0
17801761	Isotope_Atom_Count	0
50741839	Mono_Isotopic_Weight	606.22189408
53914733	XLogP3-AA	0.6
101175466	Total_Formal_Charge	2
8490	Molecular_Weight	222.12
18182	TPSA	49.9
33944	Hydrogen_Bond_Acceptor_Count	2
99058	Undefined_Bond_Stereo_Count	0
136502787	Defined_Atom_Stereo_Count	0
24848343	Non-hydrogen_Atom_Count	16
84063996	Structure_Complexity	68.9
143331072	Covalent_Unit_Count	1
91864465	Defined_Atom_Stereo_Count	4
721436	Defined_Bond_Stereo_Count	0
443939	TPSA	206
45528	Hydrogen_Bond_Acceptor_Count	3
196129	XLogP3-AA	3.9
10895019	Isotope_Atom_Count	1
10838895	Hydrogen_Bond_Acceptor_Count	8
692135	Hydrogen_Bond_Donor_Count	1
526624	Exact_Mass	226.01222190
12423177	Mono_Isotopic_Weight	113.084063974
25142309	Hydrogen_Bond_Acceptor_Count	4
73934	Mono_Isotopic_Weight	115.02335542
57031203	XLogP3-AA	0.2
10046647	Exact_Mass	401.2233903
15496999	Exact_Mass	97.052763847
53481477	Defined_Atom_Stereo_Count	2
3041256	Defined_Atom_Stereo_Count	2
21460	Structure_Complexity	59.6
7951	Defined_Bond_Stereo_Count	0
129009909	TPSA	231
5311505	Rotatable_Bond_Count	5
13545127	TPSA	72.3
11450	XLogP3	3.3
146680	TPSA	109
23670844	Total_Formal_Charge	0
4932	Non-hydrogen_Atom_Count	25
72683639	Isotope_Atom_Count	0
5360970	Exact_Mass	369.23039385
2342	Molecular_Weight	404.5
74067	Defined_Bond_Stereo_Count	0
9939594	Defined_Atom_Stereo_Count	5
166652	Non-hydrogen_Atom_Count	7
20058737	Total_Formal_Charge	0
72466	Mono_Isotopic_Weight	1511.4785360
136705	Covalent_Unit_Count	1
9846339	Undefined_Atom_Stereo_Count	0
6450830	Rotatable_Bond_Count	8
9956726	Hydrogen_Bond_Acceptor_Count	9
135594347	Rotatable_Bond_Count	5
547096	Hydrogen_Bond_Acceptor_Count	1
88334	Total_Formal_Charge	0
53563	Non-hydrogen_Atom_Count	19
11185559	XLogP3-AA	4.4
10630437	Total_Formal_Charge	0
50312	Exact_Mass	370.97783
21564107	Total_Formal_Charge	0
85693614	Non-hydrogen_Atom_Count	8
45116617	Mono_Isotopic_Weight	101.084063974
6434112	Structure_Complexity	688
13350797	Defined_Bond_Stereo_Count	0
66435	Defined_Bond_Stereo_Count	0
91399390	Covalent_Unit_Count	1
60144418	Mono_Isotopic_Weight	326.01951273
57916384	Defined_Bond_Stereo_Count	0
20711973	Exact_Mass	105.057849228
3664	Rotatable_Bond_Count	5
1516506	Defined_Bond_Stereo_Count	0
12452075	Mono_Isotopic_Weight	94.041864811
86566	Undefined_Bond_Stereo_Count	0
4922	Isotope_Atom_Count	0
61057	Defined_Bond_Stereo_Count	0
51047	Mono_Isotopic_Weight	292.0978555
33820	Rotatable_Bond_Count	14
300	Defined_Atom_Stereo_Count	0
3198	Non-hydrogen_Atom_Count	24
57391320	Rotatable_Bond_Count	4
183812	Structure_Complexity	649
21540	Molecular_Weight	183.21
60196291	TPSA	606
165879	Rotatable_Bond_Count	2
10130120	Non-hydrogen_Atom_Count	10
18406186	Rotatable_Bond_Count	5
11094587	Covalent_Unit_Count	1
134687040	Mono_Isotopic_Weight	545.23667825
21789	Total_Formal_Charge	0
10771356	Hydrogen_Bond_Acceptor_Count	14
471360	Mono_Isotopic_Weight	185.10519334
12474173	Defined_Atom_Stereo_Count	0
124226575	Hydrogen_Bond_Donor_Count	7
21696748	Undefined_Atom_Stereo_Count	2
8166	Undefined_Bond_Stereo_Count	0
83860	Non-hydrogen_Atom_Count	42
9918559	Non-hydrogen_Atom_Count	35
54378261	Total_Formal_Charge	0
60152109	Rotatable_Bond_Count	7
65216	Exact_Mass	422.1608497
102552746	Undefined_Bond_Stereo_Count	0
13764	Total_Formal_Charge	0
10973	Undefined_Bond_Stereo_Count	0
1973	Mono_Isotopic_Weight	462.08037
57190391	Hydrogen_Bond_Donor_Count	0
3720192	Rotatable_Bond_Count	1
13020083	Isotope_Atom_Count	0
135458645	XLogP3-AA	4.7
51671	Mono_Isotopic_Weight	413.18854629
135391044	Rotatable_Bond_Count	9
162302	Molecular_Weight	291.4
11926	Mono_Isotopic_Weight	143.073499291
82763	Total_Formal_Charge	0
21323	Tautomer_Count	3
89793222	Hydrogen_Bond_Acceptor_Count	2
91585	Covalent_Unit_Count	1
18622366	Exact_Mass	112.063662883
6350580	Hydrogen_Bond_Acceptor_Count	3
11957696	Mono_Isotopic_Weight	439.13582
3033867	Tautomer_Count	1
22624677	Defined_Atom_Stereo_Count	0
3055172	XLogP3	3.8
19193	Exact_Mass	109.063997236
3340552	Undefined_Atom_Stereo_Count	0
138891	TPSA	0
33778657	Hydrogen_Bond_Acceptor_Count	4
817383	Covalent_Unit_Count	1
26091	Hydrogen_Bond_Acceptor_Count	3
13794998	Undefined_Atom_Stereo_Count	0
520362	TPSA	0
25042	Isotope_Atom_Count	0
451239	Hydrogen_Bond_Donor_Count	0
70807	TPSA	75.2
91434	Non-hydrogen_Atom_Count	21
2774693	TPSA	58.2
44349928	Rotatable_Bond_Count	4
534283	Isotope_Atom_Count	0
60196266	Rotatable_Bond_Count	16
5485220	Defined_Atom_Stereo_Count	1
56626310	Hydrogen_Bond_Donor_Count	0
11225217	Molecular_Weight	472.0
124809074	TPSA	272
64927	Total_Formal_Charge	0
7287	Hydrogen_Bond_Donor_Count	1
19594968	Isotope_Atom_Count	0
11040682	Defined_Bond_Stereo_Count	0
11083833	Structure_Complexity	102
20041648	XLogP3-AA	0.4
59630221	Isotope_Atom_Count	0
4623	Undefined_Atom_Stereo_Count	0
37844	Rotatable_Bond_Count	6
4590704	Molecular_Weight	196.29
21024469	Rotatable_Bond_Count	0
3032	Covalent_Unit_Count	1
10532	Hydrogen_Bond_Acceptor_Count	4
23635314	Defined_Bond_Stereo_Count	0
3327	Mono_Isotopic_Weight	222.198365449
15301	Defined_Bond_Stereo_Count	0
10799	Hydrogen_Bond_Acceptor_Count	6
16682983	Molecular_Weight	351.75
65063	Mono_Isotopic_Weight	308.04095237
4286	Exact_Mass	341.22156050
565843	TPSA	109
10949	Undefined_Atom_Stereo_Count	0
29083	Undefined_Bond_Stereo_Count	0
18393	Structure_Complexity	51.9
71346	Exact_Mass	454.17737247
5367412	Structure_Complexity	129
67320864	Isotope_Atom_Count	0
127909	Rotatable_Bond_Count	12
11870427	Molecular_Weight	334.37
216261	Tautomer_Count	4
86656004	Non-hydrogen_Atom_Count	8
696858	Exact_Mass	334.14297583
3661	Non-hydrogen_Atom_Count	21
51030901	Isotope_Atom_Count	0
20283	Total_Formal_Charge	0
57390700	Hydrogen_Bond_Acceptor_Count	9
123920652	Exact_Mass	110.109550447
5324108	Defined_Bond_Stereo_Count	0
23663397	TPSA	282
716312	Total_Formal_Charge	0
88705879	Covalent_Unit_Count	1
9818	Hydrogen_Bond_Acceptor_Count	6
18636	Structure_Complexity	354
57346808	Defined_Bond_Stereo_Count	0
62683	Defined_Bond_Stereo_Count	0
519726	Exact_Mass	111.079647300
540987	Defined_Bond_Stereo_Count	0
91754	Rotatable_Bond_Count	5
40523471	Molecular_Weight	347.4
11499204	Isotope_Atom_Count	0
5758	TPSA	37.3
4453511	Rotatable_Bond_Count	3
26898	Undefined_Bond_Stereo_Count	0
25129043	Structure_Complexity	829
11908450	Total_Formal_Charge	0
7680	Isotope_Atom_Count	0
122670	Molecular_Weight	159.19
71649	Defined_Bond_Stereo_Count	0
135489810	Isotope_Atom_Count	0
441243	Rotatable_Bond_Count	13
88859271	Rotatable_Bond_Count	3
78160	Defined_Bond_Stereo_Count	0
14868	TPSA	49.3
76714	Defined_Bond_Stereo_Count	0
4712721	Hydrogen_Bond_Acceptor_Count	3
5388937	XLogP3-AA	4.2
687046	Undefined_Bond_Stereo_Count	0
23672302	Molecular_Weight	342.4
70695665	Hydrogen_Bond_Acceptor_Count	3
62654	XLogP3-AA	2.7
42613186	Molecular_Weight	592.7
3035451	TPSA	124
533930	Defined_Atom_Stereo_Count	0
91395	Exact_Mass	555.12596855
5216	TPSA	62.7
148531825	Mono_Isotopic_Weight	100.100048391
15347676	Molecular_Weight	111.15
21574	Undefined_Bond_Stereo_Count	0
51997	TPSA	62.6
59283	TPSA	41
73162904	Exact_Mass	326.169686
22416599	Rotatable_Bond_Count	0
2733525	Isotope_Atom_Count	0
13235329	Molecular_Weight	94.15
4843	Defined_Bond_Stereo_Count	0
9577221	XLogP3-AA	3.2
4883	Isotope_Atom_Count	0
118374185	Hydrogen_Bond_Acceptor_Count	2
5289382	Covalent_Unit_Count	1
64502	Molecular_Weight	216.32
9325	Undefined_Atom_Stereo_Count	3
148123	Defined_Bond_Stereo_Count	0
51174	Defined_Bond_Stereo_Count	0
316975	Molecular_Weight	209.22
23588	Undefined_Atom_Stereo_Count	0
6917754	Covalent_Unit_Count	2
439207	Tautomer_Count	1
56840960	Undefined_Atom_Stereo_Count	1
74242	Structure_Complexity	175
39230	Molecular_Weight	342.1
94169	Hydrogen_Bond_Donor_Count	9
7506	Defined_Bond_Stereo_Count	0
54675757	Hydrogen_Bond_Acceptor_Count	3
16008685	Total_Formal_Charge	0
22491623	Molecular_Weight	95.10
42602351	Rotatable_Bond_Count	6
11148	Undefined_Bond_Stereo_Count	0
81146	Hydrogen_Bond_Acceptor_Count	3
129668601	Rotatable_Bond_Count	3
101304	Defined_Atom_Stereo_Count	0
24832091	Hydrogen_Bond_Acceptor_Count	11
86062	Mono_Isotopic_Weight	101.120449483
4534	Hydrogen_Bond_Acceptor_Count	4
85838693	Undefined_Bond_Stereo_Count	0
12395209	Structure_Complexity	202
656667	Mono_Isotopic_Weight	541.1979634
65701	Defined_Atom_Stereo_Count	0
50990560	Hydrogen_Bond_Donor_Count	4
12425839	Structure_Complexity	402
6957610	Molecular_Weight	294.4
42580059	Hydrogen_Bond_Donor_Count	8
146156670	Hydrogen_Bond_Acceptor_Count	8
83681	TPSA	0
15055958	Hydrogen_Bond_Acceptor_Count	2
141315890	Undefined_Bond_Stereo_Count	0
44144429	Mono_Isotopic_Weight	559.12774
53378550	Undefined_Atom_Stereo_Count	0
7402	Undefined_Bond_Stereo_Count	0
65757	Hydrogen_Bond_Donor_Count	0
87714328	Rotatable_Bond_Count	2
14470	Mono_Isotopic_Weight	87.068413911
10197625	Exact_Mass	89.084063974
1951	Defined_Atom_Stereo_Count	0
82658	Undefined_Atom_Stereo_Count	1
135398654	Defined_Atom_Stereo_Count	3
72734319	Isotope_Atom_Count	0
48306	XLogP3-AA	5.3
55291579	Total_Formal_Charge	0
143399	Undefined_Atom_Stereo_Count	0
53887	Total_Formal_Charge	0
3567443	Structure_Complexity	305
667550	Isotope_Atom_Count	0
21364247	Undefined_Bond_Stereo_Count	0
25185	Structure_Complexity	170
5106600	Structure_Complexity	103
55286482	Molecular_Weight	114.10
444104	Total_Formal_Charge	0
8370	Exact_Mass	283.810166
67239709	Defined_Bond_Stereo_Count	0
142	Covalent_Unit_Count	1
549244	Hydrogen_Bond_Donor_Count	0
11566	Rotatable_Bond_Count	0
638047	Non-hydrogen_Atom_Count	7
55250378	Covalent_Unit_Count	1
16202184	TPSA	99.4
117273842	Defined_Atom_Stereo_Count	0
54003766	Isotope_Atom_Count	0
14083582	Exact_Mass	114.068079557
2032	Hydrogen_Bond_Acceptor_Count	3
37541	Undefined_Bond_Stereo_Count	0
44392167	Non-hydrogen_Atom_Count	37
23665760	Exact_Mass	73.9535366
4237	Rotatable_Bond_Count	6
59772	Defined_Atom_Stereo_Count	0
30771	XLogP3-AA	3.2
48870	Rotatable_Bond_Count	6
2966	Defined_Bond_Stereo_Count	0
54568416	Mono_Isotopic_Weight	113.084063974
153627081	Molecular_Weight	102.14
11832800	Hydrogen_Bond_Acceptor_Count	1
53359023	Undefined_Bond_Stereo_Count	0
23520950	Hydrogen_Bond_Donor_Count	0
7285	Isotope_Atom_Count	0
145937	Total_Formal_Charge	0
14444485	Exact_Mass	245.08993720
119085356	Covalent_Unit_Count	1
84715999	Structure_Complexity	105
23554324	Hydrogen_Bond_Donor_Count	2
79319	Mono_Isotopic_Weight	296.891789
90243427	Hydrogen_Bond_Acceptor_Count	2
56603728	Defined_Bond_Stereo_Count	0
2723810	Tautomer_Count	1
72508	Non-hydrogen_Atom_Count	15
2756	Exact_Mass	252.11571571
5323927	Covalent_Unit_Count	1
12304	Covalent_Unit_Count	1
5280451	Isotope_Atom_Count	0
4615423	Non-hydrogen_Atom_Count	12
129319344	Defined_Bond_Stereo_Count	0
123422	Mono_Isotopic_Weight	148.074896272
9555	Defined_Bond_Stereo_Count	0
11710986	XLogP3-AA	3.8
80906	Tautomer_Count	20
12599701	Hydrogen_Bond_Donor_Count	1
18732	Molecular_Weight	188.09
18851	Undefined_Atom_Stereo_Count	1
12555	Structure_Complexity	344
17982851	Total_Formal_Charge	0
16218742	Rotatable_Bond_Count	37
56683653	Defined_Atom_Stereo_Count	0
97758	Hydrogen_Bond_Acceptor_Count	1
13245711	Rotatable_Bond_Count	0
23691029	Tautomer_Count	4
6433588	Undefined_Atom_Stereo_Count	0
2846928	Exact_Mass	386.22966
26038	Undefined_Atom_Stereo_Count	0
78802	Defined_Bond_Stereo_Count	0
70801	Molecular_Weight	173.21
5282321	Hydrogen_Bond_Acceptor_Count	6
59401	Undefined_Atom_Stereo_Count	0
60796	Structure_Complexity	402
71960	Defined_Atom_Stereo_Count	10
6314	Hydrogen_Bond_Acceptor_Count	2
9416	Hydrogen_Bond_Acceptor_Count	3
75903	TPSA	78.9
19883347	Exact_Mass	101.084063974
76044	Non-hydrogen_Atom_Count	26
8424	Structure_Complexity	123
13437377	Exact_Mass	110.084398327
692450	Covalent_Unit_Count	1
99748	Undefined_Atom_Stereo_Count	0
115163	Exact_Mass	439.21409234
2443	Molecular_Weight	654.6
47318	Hydrogen_Bond_Acceptor_Count	5
39874	Undefined_Atom_Stereo_Count	0
3118	Undefined_Atom_Stereo_Count	0
21942786	Undefined_Bond_Stereo_Count	0
153754883	Molecular_Weight	114.06
4306558	Rotatable_Bond_Count	9
548545	Isotope_Atom_Count	0
5310969	Rotatable_Bond_Count	3
9500	Defined_Bond_Stereo_Count	0
62430	Total_Formal_Charge	0
165365661	Defined_Atom_Stereo_Count	0
22221737	Undefined_Atom_Stereo_Count	0
3791	Covalent_Unit_Count	1
117736498	Total_Formal_Charge	0
32495	Undefined_Bond_Stereo_Count	0
10898949	Hydrogen_Bond_Donor_Count	2
5360315	Rotatable_Bond_Count	0
667450	Rotatable_Bond_Count	0
166144333	Non-hydrogen_Atom_Count	8
121329665	TPSA	190
24191118	Defined_Bond_Stereo_Count	0
135413545	Non-hydrogen_Atom_Count	38
154911	Mono_Isotopic_Weight	247.9845081
118371793	Mono_Isotopic_Weight	110.048012819
73673720	Defined_Bond_Stereo_Count	0
8354	Rotatable_Bond_Count	1
41332	TPSA	106
119072	Rotatable_Bond_Count	3
10921634	XLogP3	4.6
11867	Mono_Isotopic_Weight	173.99867984
102594	Hydrogen_Bond_Donor_Count	1
1083	Covalent_Unit_Count	1
6652	Hydrogen_Bond_Donor_Count	0
47318	Rotatable_Bond_Count	1
5746414	Isotope_Atom_Count	0
129642209	Total_Formal_Charge	0
36354	Hydrogen_Bond_Donor_Count	1
15406	Hydrogen_Bond_Donor_Count	1
26248	Isotope_Atom_Count	0
94357	Tautomer_Count	1
123254	Hydrogen_Bond_Acceptor_Count	2
160355	Hydrogen_Bond_Acceptor_Count	6
4622	XLogP3	2.4
53321035	Undefined_Bond_Stereo_Count	0
3323161	Rotatable_Bond_Count	1
21723	Defined_Bond_Stereo_Count	0
53420227	TPSA	40.5
30097	Undefined_Bond_Stereo_Count	0
75252	Defined_Atom_Stereo_Count	0
5484450	TPSA	45.6
45488110	Structure_Complexity	722
89421960	Defined_Atom_Stereo_Count	0
160440	Covalent_Unit_Count	1
159952	Defined_Atom_Stereo_Count	0
119096639	Non-hydrogen_Atom_Count	8
520682	Rotatable_Bond_Count	2
68778068	Hydrogen_Bond_Donor_Count	2
69158	XLogP3	3.4
10750	Structure_Complexity	232
8354	Undefined_Bond_Stereo_Count	0
51030896	Defined_Bond_Stereo_Count	0
442374	Undefined_Bond_Stereo_Count	0
8902	Rotatable_Bond_Count	4
88169351	Exact_Mass	320.07820726
656954	XLogP3-AA	3.6
26927	Covalent_Unit_Count	1
19608838	TPSA	41.6
13400657	Rotatable_Bond_Count	1
6710780	Hydrogen_Bond_Donor_Count	3
65768	Undefined_Bond_Stereo_Count	0
6324616	Structure_Complexity	1330
44193111	Hydrogen_Bond_Donor_Count	1
88720280	Total_Formal_Charge	0
1551	Defined_Atom_Stereo_Count	0
135436520	TPSA	393
2905	Hydrogen_Bond_Acceptor_Count	4
138394518	Exact_Mass	1388.93119660
11815322	Defined_Bond_Stereo_Count	0
185792	Exact_Mass	121.971284
2734176	Defined_Atom_Stereo_Count	0
67535	Rotatable_Bond_Count	1
89479318	Rotatable_Bond_Count	0
45116667	Isotope_Atom_Count	0
44395151	Undefined_Bond_Stereo_Count	0
17351	Hydrogen_Bond_Acceptor_Count	2
10953595	Defined_Bond_Stereo_Count	0
409535	Total_Formal_Charge	0
17017	Hydrogen_Bond_Acceptor_Count	2
297691	Rotatable_Bond_Count	3
6906	Hydrogen_Bond_Acceptor_Count	0
102090390	Undefined_Bond_Stereo_Count	0
731361	Rotatable_Bond_Count	5
24409	Undefined_Atom_Stereo_Count	0
9109	Hydrogen_Bond_Donor_Count	0
11986122	Mono_Isotopic_Weight	230.003015
4280	Mono_Isotopic_Weight	289.06200837
69444	TPSA	7.1
155113	Total_Formal_Charge	0
71464587	Exact_Mass	559.09135
89027474	Defined_Bond_Stereo_Count	0
165495	Covalent_Unit_Count	4
66110	Structure_Complexity	28.4
19962876	Undefined_Atom_Stereo_Count	0
9953272	Structure_Complexity	546
5365589	Isotope_Atom_Count	0
46936965	XLogP3-AA	0.6
27428	Hydrogen_Bond_Donor_Count	0
738033	Undefined_Atom_Stereo_Count	0
4142809	Hydrogen_Bond_Donor_Count	2
81595	Exact_Mass	144.068748264
197383	Hydrogen_Bond_Donor_Count	1
547749	TPSA	20.2
101417708	Undefined_Bond_Stereo_Count	0
79322731	XLogP3-AA	1.1
20287220	Isotope_Atom_Count	0
10177	XLogP3-AA	2.7
338812	Exact_Mass	112.052429494
10270986	Defined_Bond_Stereo_Count	1
5903	Exact_Mass	570.25120612
84883	Hydrogen_Bond_Donor_Count	0
82167	Undefined_Bond_Stereo_Count	0
57394598	XLogP3-AA	4.4
12205098	Undefined_Atom_Stereo_Count	0
24775	Total_Formal_Charge	0
57392964	Mono_Isotopic_Weight	454.16747650
235700	XLogP3-AA	1.6
9578243	Defined_Atom_Stereo_Count	0
68901	XLogP3-AA	0.6
60165517	Mono_Isotopic_Weight	314.12644076
3040	Molecular_Weight	469.3
56843898	Exact_Mass	418.013115
1549002	Molecular_Weight	290.4
68099571	Covalent_Unit_Count	1
23029	XLogP3	3.7
132277694	Total_Formal_Charge	0
570603	Exact_Mass	106.053098200
116842253	TPSA	23.8
4489	Non-hydrogen_Atom_Count	51
10129	Covalent_Unit_Count	1
87468661	Structure_Complexity	124
2733514	Covalent_Unit_Count	1
136572	Hydrogen_Bond_Donor_Count	0
18408476	Covalent_Unit_Count	1
82728	Defined_Bond_Stereo_Count	0
46853873	Non-hydrogen_Atom_Count	93
21972427	Hydrogen_Bond_Acceptor_Count	2
135814155	Molecular_Weight	500.5
23616669	TPSA	72
33746	Hydrogen_Bond_Acceptor_Count	3
95559	Undefined_Atom_Stereo_Count	1
2440	Mono_Isotopic_Weight	496.09575
118513932	Covalent_Unit_Count	1
6332	Rotatable_Bond_Count	0
6437071	Covalent_Unit_Count	1
44310946	Hydrogen_Bond_Donor_Count	1
139062656	Defined_Bond_Stereo_Count	0
87963836	Undefined_Bond_Stereo_Count	0
134167153	Undefined_Bond_Stereo_Count	0
30107	Tautomer_Count	2
66007	Rotatable_Bond_Count	5
159609	Hydrogen_Bond_Acceptor_Count	1
29144	Defined_Atom_Stereo_Count	1
2417	Defined_Atom_Stereo_Count	0
53629499	Exact_Mass	110.084398327
9816506	Covalent_Unit_Count	1
16129635	Rotatable_Bond_Count	19
137642	Covalent_Unit_Count	1
123911014	Molecular_Weight	90.12
165157	Defined_Atom_Stereo_Count	12
380929	Total_Formal_Charge	0
77323	XLogP3	1.1
45357147	Undefined_Bond_Stereo_Count	0
54706667	TPSA	80.6
11446296	TPSA	40.5
6828	Mono_Isotopic_Weight	268.157563266
10178705	Undefined_Atom_Stereo_Count	0
11240440	Isotope_Atom_Count	0
92023654	Hydrogen_Bond_Acceptor_Count	14
10098504	Structure_Complexity	951
9841854	Defined_Bond_Stereo_Count	0
44814423	Hydrogen_Bond_Donor_Count	4
6662	Rotatable_Bond_Count	3
4237	Covalent_Unit_Count	1
59295969	TPSA	145
3033968	Undefined_Atom_Stereo_Count	0
11480402	Undefined_Bond_Stereo_Count	0
2453568	Isotope_Atom_Count	0
41043	Undefined_Atom_Stereo_Count	0
124112720	Defined_Bond_Stereo_Count	0
202050	Hydrogen_Bond_Acceptor_Count	1
67247971	Total_Formal_Charge	0
25975	Covalent_Unit_Count	1
17179	Mono_Isotopic_Weight	332.1583747
136264090	Molecular_Weight	1145.3
6108	Exact_Mass	167.02185764
3344	Molecular_Weight	260.33
31134	Defined_Bond_Stereo_Count	0
44443933	Defined_Atom_Stereo_Count	6
31300	Isotope_Atom_Count	0
2227	Total_Formal_Charge	0
517065	Exact_Mass	444.21576897
8519	Defined_Atom_Stereo_Count	0
66	Undefined_Atom_Stereo_Count	0
93192	TPSA	49.3
62930	Total_Formal_Charge	0
217634	Hydrogen_Bond_Acceptor_Count	2
22323244	Defined_Atom_Stereo_Count	0
25164108	Hydrogen_Bond_Donor_Count	3
21145	TPSA	0
107720	Defined_Atom_Stereo_Count	1
6920223	Exact_Mass	122.024203370
8041	Defined_Atom_Stereo_Count	0
8109	Mono_Isotopic_Weight	104.083729621
11032	Exact_Mass	313.13477939
156592059	Mono_Isotopic_Weight	895.04440356
2733294	Molecular_Weight	142.20
79241	Rotatable_Bond_Count	5
2082	Non-hydrogen_Atom_Count	18
66599893	Covalent_Unit_Count	1
10246505	XLogP3	3.7
5787	Undefined_Atom_Stereo_Count	0
75821	Total_Formal_Charge	0
46783232	Undefined_Bond_Stereo_Count	0
71814	Hydrogen_Bond_Donor_Count	0
3933	Undefined_Bond_Stereo_Count	0
73303	Tautomer_Count	2
92874	Undefined_Bond_Stereo_Count	0
71142	Structure_Complexity	516
74764658	Non-hydrogen_Atom_Count	26
12602	Structure_Complexity	280
91683	Rotatable_Bond_Count	3
16684171	Hydrogen_Bond_Donor_Count	0
160157	Non-hydrogen_Atom_Count	13
11953	Defined_Bond_Stereo_Count	0
539061	Exact_Mass	548.29853298
1553	Total_Formal_Charge	0
1382059	Hydrogen_Bond_Donor_Count	1
67645	Hydrogen_Bond_Donor_Count	0
129645691	Hydrogen_Bond_Acceptor_Count	15
2484	Exact_Mass	317.214349865
44629592	Rotatable_Bond_Count	14
62580	Undefined_Bond_Stereo_Count	0
91412269	Non-hydrogen_Atom_Count	17
439284	Isotope_Atom_Count	0
36688117	Rotatable_Bond_Count	5
53677339	Defined_Atom_Stereo_Count	0
61508	Isotope_Atom_Count	0
19357220	Non-hydrogen_Atom_Count	8
45266908	Non-hydrogen_Atom_Count	46
18998026	Molecular_Weight	102.11
17215	Undefined_Atom_Stereo_Count	0
3658	Undefined_Atom_Stereo_Count	1
7064	Hydrogen_Bond_Donor_Count	2
69079	TPSA	17.1
4767	Covalent_Unit_Count	1
559009	Exact_Mass	100.088815002
4675	Rotatable_Bond_Count	6
53704432	Structure_Complexity	72.9
23058060	Defined_Atom_Stereo_Count	0
87646	Rotatable_Bond_Count	1
107807	Defined_Bond_Stereo_Count	0
12097423	Molecular_Weight	110.11
6437377	Hydrogen_Bond_Acceptor_Count	8
39327	Covalent_Unit_Count	1
9874591	Hydrogen_Bond_Acceptor_Count	12
12414280	Structure_Complexity	134
30199	Covalent_Unit_Count	1
139089144	Undefined_Bond_Stereo_Count	0
102848	Exact_Mass	99.068413911
2816105	Total_Formal_Charge	0
21766189	Non-hydrogen_Atom_Count	8
196445	Exact_Mass	298.09872823
1241420	TPSA	66.4
129606990	Exact_Mass	915.51914999
11457	Tautomer_Count	1
260708	Defined_Bond_Stereo_Count	0
134694829	Hydrogen_Bond_Acceptor_Count	11
289539	Non-hydrogen_Atom_Count	8
6058	Rotatable_Bond_Count	1
23616669	Rotatable_Bond_Count	16
60011464	XLogP3-AA	2.5
9863672	Total_Formal_Charge	0
62705859	Molecular_Weight	457.4
52944340	Total_Formal_Charge	0
59999517	Isotope_Atom_Count	0
157464	Total_Formal_Charge	0
91323352	Molecular_Weight	453.5
5323984	Structure_Complexity	118
534543	Total_Formal_Charge	0
9249	TPSA	0
4037	Undefined_Bond_Stereo_Count	0
10197668	Total_Formal_Charge	0
6434253	Structure_Complexity	688
3038525	Non-hydrogen_Atom_Count	28
139612467	Exact_Mass	100.063662883
9740	Defined_Bond_Stereo_Count	0
31211	XLogP3	0.8
170833	Hydrogen_Bond_Donor_Count	1
410615	Isotope_Atom_Count	0
165363121	Mono_Isotopic_Weight	273.0781231
26362	TPSA	25.8
86200	Undefined_Bond_Stereo_Count	0
5311027	Covalent_Unit_Count	1
25245437	Mono_Isotopic_Weight	688.34905972
521381	XLogP3	1.1
58340	Structure_Complexity	252
31573	Covalent_Unit_Count	1
103451510	Undefined_Atom_Stereo_Count	1
38970	Isotope_Atom_Count	0
40467895	Mono_Isotopic_Weight	610.13631276
21210	Structure_Complexity	54.9
14923878	TPSA	0
11224409	Total_Formal_Charge	0
119058385	Non-hydrogen_Atom_Count	28
265652	Molecular_Weight	106.15
25142176	Undefined_Atom_Stereo_Count	0
155893809	Non-hydrogen_Atom_Count	8
3082780	Isotope_Atom_Count	0
22623468	Mono_Isotopic_Weight	99.104799419
21784	Defined_Bond_Stereo_Count	0
30295	TPSA	32.7
38875	Undefined_Atom_Stereo_Count	0
6420033	Structure_Complexity	176
12576587	Defined_Bond_Stereo_Count	0
25102936	Defined_Bond_Stereo_Count	0
46936750	Non-hydrogen_Atom_Count	23
139171223	Non-hydrogen_Atom_Count	47
15947217	Isotope_Atom_Count	0
4810	Exact_Mass	241.0730377
846130	Hydrogen_Bond_Donor_Count	2
57753	Molecular_Weight	336.4
19003653	Undefined_Bond_Stereo_Count	0
8083388	Total_Formal_Charge	0
54180192	Exact_Mass	85.089149355
73234850	Hydrogen_Bond_Acceptor_Count	6
46897877	Hydrogen_Bond_Donor_Count	5
5343	XLogP3-AA	1.2
9704	Defined_Atom_Stereo_Count	0
56927704	Hydrogen_Bond_Acceptor_Count	12
74441105	Isotope_Atom_Count	0
35136	Total_Formal_Charge	0
448505	Isotope_Atom_Count	0
129651751	Defined_Atom_Stereo_Count	0
7449	TPSA	62.9
6597	Undefined_Atom_Stereo_Count	0
12479	XLogP3	1.2
14184222	TPSA	32.8
70693548	Non-hydrogen_Atom_Count	170
20517177	Covalent_Unit_Count	1
11309477	Exact_Mass	98.073164938
18357	Undefined_Bond_Stereo_Count	0
14502976	Defined_Bond_Stereo_Count	0
71739	Mono_Isotopic_Weight	298.168127949
8685	Rotatable_Bond_Count	6
9546757	Hydrogen_Bond_Acceptor_Count	9
138040	Mono_Isotopic_Weight	71.086075351
8510	Non-hydrogen_Atom_Count	20
14282994	Hydrogen_Bond_Donor_Count	1
107561	Tautomer_Count	8
121290477	Undefined_Atom_Stereo_Count	9
11701673	Mono_Isotopic_Weight	263.956853
141959525	Structure_Complexity	86.2
54726193	Defined_Bond_Stereo_Count	0
42163	Non-hydrogen_Atom_Count	21
92463	XLogP3-AA	2.1
411817	Mono_Isotopic_Weight	282.1498911
55212037	Hydrogen_Bond_Acceptor_Count	4
76857	Rotatable_Bond_Count	1
49868036	Non-hydrogen_Atom_Count	93
3413278	Defined_Atom_Stereo_Count	0
73801102	Undefined_Bond_Stereo_Count	1
13374861	Undefined_Bond_Stereo_Count	0
91902981	Covalent_Unit_Count	1
156232885	Hydrogen_Bond_Acceptor_Count	12
31362	Isotope_Atom_Count	0
134664	XLogP3-AA	1.9
102358067	Defined_Atom_Stereo_Count	0
29254	Hydrogen_Bond_Acceptor_Count	2
20165534	Rotatable_Bond_Count	0
91713	Non-hydrogen_Atom_Count	37
147912	Undefined_Atom_Stereo_Count	1
65335	Defined_Bond_Stereo_Count	0
5280343	Mono_Isotopic_Weight	302.04265265
123337109	Undefined_Atom_Stereo_Count	2
96095	Non-hydrogen_Atom_Count	16
4284	Mono_Isotopic_Weight	191.131014166
3623	Undefined_Atom_Stereo_Count	3
10796703	Structure_Complexity	76.2
6016	Exact_Mass	299.15819492
162747	TPSA	26.3
3015	Covalent_Unit_Count	1
9844	Hydrogen_Bond_Acceptor_Count	4
28554	Defined_Atom_Stereo_Count	0
6439420	Exact_Mass	428.14396435
19829703	Total_Formal_Charge	0
589863	Molecular_Weight	215.10
12254	Exact_Mass	88.063662883
58028426	Defined_Atom_Stereo_Count	0
60795	Total_Formal_Charge	0
58657603	XLogP3-AA	3.9
23749	Tautomer_Count	1
120738	TPSA	29.5
24750	Undefined_Atom_Stereo_Count	0
93291	Defined_Bond_Stereo_Count	0
9141	Defined_Bond_Stereo_Count	0
92843	Mono_Isotopic_Weight	188.11609238
9910975	Isotope_Atom_Count	0
6295	Non-hydrogen_Atom_Count	20
5113032	Undefined_Atom_Stereo_Count	1
395106	Non-hydrogen_Atom_Count	25
6971097	Defined_Bond_Stereo_Count	0
51522	Undefined_Bond_Stereo_Count	0
72786882	Undefined_Bond_Stereo_Count	0
56955184	Defined_Bond_Stereo_Count	0
126830	Molecular_Weight	226.31
6918123	Isotope_Atom_Count	0
16212966	Mono_Isotopic_Weight	181.06674293
522621	Hydrogen_Bond_Acceptor_Count	0
3538	TPSA	69.2
54693001	Rotatable_Bond_Count	7
1034	Structure_Complexity	146
143817762	Exact_Mass	107.073499291
825229	Covalent_Unit_Count	1
76192	Mono_Isotopic_Weight	203.9744848
6623	Rotatable_Bond_Count	2
138335	Covalent_Unit_Count	1
15559221	XLogP3-AA	2.7
71608540	Defined_Atom_Stereo_Count	2
2520	TPSA	64
122670	Mono_Isotopic_Weight	159.079647300
5376733	Rotatable_Bond_Count	4
45344	Tautomer_Count	1
436543	Exact_Mass	223.136099547
443936	Defined_Atom_Stereo_Count	8
12302691	Isotope_Atom_Count	0
15788366	XLogP3-AA	4.5
101103333	Undefined_Bond_Stereo_Count	0
25015677	Undefined_Atom_Stereo_Count	0
10417847	Rotatable_Bond_Count	44
162379291	Defined_Atom_Stereo_Count	0
57602863	XLogP3-AA	1.1
12278548	Defined_Atom_Stereo_Count	0
5287971	Isotope_Atom_Count	0
71454296	XLogP3-AA	2.7
24946104	Rotatable_Bond_Count	7
56629862	Molecular_Weight	101.15
12329	Defined_Bond_Stereo_Count	0
7102	Rotatable_Bond_Count	1
335	TPSA	20.2
70310	Hydrogen_Bond_Donor_Count	0
85708088	Non-hydrogen_Atom_Count	8
220272	Tautomer_Count	7
23657865	Total_Formal_Charge	0
129027658	Defined_Bond_Stereo_Count	0
85784776	Molecular_Weight	182.14
10853	Structure_Complexity	130
9961	Molecular_Weight	124.09
57526	Defined_Bond_Stereo_Count	0
72106	Molecular_Weight	395.4
14146878	Mono_Isotopic_Weight	113.084063974
9963056	Exact_Mass	954.42962397
21236	Undefined_Atom_Stereo_Count	0
637969	Hydrogen_Bond_Acceptor_Count	0
56949517	Undefined_Bond_Stereo_Count	0
11151622	Undefined_Bond_Stereo_Count	0
123870	Defined_Atom_Stereo_Count	0
44596	Molecular_Weight	129.24
136430	Structure_Complexity	140
21201338	Molecular_Weight	203.26
7067	Molecular_Weight	179.26
688303	Structure_Complexity	388
49857672	XLogP3-AA	3
70249	Rotatable_Bond_Count	8
90771502	Defined_Bond_Stereo_Count	0
71300410	Molecular_Weight	557.6
40839	Undefined_Bond_Stereo_Count	0
916113	Defined_Atom_Stereo_Count	0
13159	Non-hydrogen_Atom_Count	7
96428	Total_Formal_Charge	0
529287	Mono_Isotopic_Weight	110.109550447
26130	Mono_Isotopic_Weight	139.026943022
25231140	Rotatable_Bond_Count	3
2009	Hydrogen_Bond_Acceptor_Count	4
237	Undefined_Atom_Stereo_Count	1
32743	Exact_Mass	86.036779430
15710945	Non-hydrogen_Atom_Count	30
55300430	Structure_Complexity	155
6328250	Structure_Complexity	266
119036	Structure_Complexity	99.3
23268532	Defined_Atom_Stereo_Count	0
10039774	Hydrogen_Bond_Acceptor_Count	2
21783	Hydrogen_Bond_Acceptor_Count	4
20550156	Rotatable_Bond_Count	1
91936863	Structure_Complexity	1840
151449	Rotatable_Bond_Count	0
59082722	Isotope_Atom_Count	0
534120	Rotatable_Bond_Count	0
10454	Undefined_Atom_Stereo_Count	0
7593	TPSA	17.1
9576647	Covalent_Unit_Count	1
73984	Molecular_Weight	104.11
4042	Undefined_Bond_Stereo_Count	0
7926	Total_Formal_Charge	0
129801132	Molecular_Weight	138.09
205954	TPSA	211
460612	Mono_Isotopic_Weight	304.0745332
86278404	TPSA	110
737804	Defined_Bond_Stereo_Count	0
10775	Hydrogen_Bond_Acceptor_Count	4
60203	Defined_Bond_Stereo_Count	0
41508	Undefined_Bond_Stereo_Count	0
9811493	Hydrogen_Bond_Donor_Count	5
7363	Total_Formal_Charge	0
16759173	Defined_Bond_Stereo_Count	0
143562	Molecular_Weight	115.13
145712321	Hydrogen_Bond_Donor_Count	1
67656161	Total_Formal_Charge	0
61585	TPSA	17.1
71464628	TPSA	228
70689830	TPSA	121
5312125	Isotope_Atom_Count	0
63826	Tautomer_Count	50
448803	Non-hydrogen_Atom_Count	32
12892785	Isotope_Atom_Count	0
5359367	Undefined_Bond_Stereo_Count	0
1012812	Structure_Complexity	467
3776755	Total_Formal_Charge	1
90547	Covalent_Unit_Count	2
84571	Non-hydrogen_Atom_Count	23
21809327	Non-hydrogen_Atom_Count	8
2691	Undefined_Bond_Stereo_Count	0
534543	TPSA	43.4
53869568	Hydrogen_Bond_Donor_Count	0
14539800	Structure_Complexity	659
9690120	Covalent_Unit_Count	2
5250507	Non-hydrogen_Atom_Count	16
117968974	Rotatable_Bond_Count	0
16724	Total_Formal_Charge	0
321710	Total_Formal_Charge	0
184820	Total_Formal_Charge	0
136784	Rotatable_Bond_Count	0
60196435	Molecular_Weight	419.4
26715	Non-hydrogen_Atom_Count	14
18726556	Total_Formal_Charge	0
64463	Non-hydrogen_Atom_Count	18
53581	Defined_Atom_Stereo_Count	1
71683048	Total_Formal_Charge	0
8994	Exact_Mass	396.0643624
23324969	Molecular_Weight	94.15
61103	Rotatable_Bond_Count	0
946372	Non-hydrogen_Atom_Count	26
15365	Covalent_Unit_Count	1
58152970	Non-hydrogen_Atom_Count	15
116842112	Hydrogen_Bond_Acceptor_Count	1
227244	Rotatable_Bond_Count	0
70689830	Undefined_Bond_Stereo_Count	0
92395	Non-hydrogen_Atom_Count	28
44310707	XLogP3-AA	0.2
731747	Total_Formal_Charge	0
1057	Total_Formal_Charge	0
6365696	Exact_Mass	280.240230259
3664	Hydrogen_Bond_Acceptor_Count	10
5282251	Mono_Isotopic_Weight	429.97768687
2176	Isotope_Atom_Count	0
7157007	Covalent_Unit_Count	1
475319	Molecular_Weight	426.4
3667129	Isotope_Atom_Count	0
2568	Defined_Atom_Stereo_Count	0
61057	Exact_Mass	184.182715385
77445309	Mono_Isotopic_Weight	114.104465066
73233	Covalent_Unit_Count	1
26388	Hydrogen_Bond_Acceptor_Count	6
14069104	Undefined_Atom_Stereo_Count	2
57304791	Undefined_Bond_Stereo_Count	0
129630288	Total_Formal_Charge	0
39528	Tautomer_Count	3
5497123	Structure_Complexity	345
398592	Non-hydrogen_Atom_Count	19
7695	XLogP3	1.9
33287	Molecular_Weight	126.22
6762	Molecular_Weight	446.0
19704592	Defined_Bond_Stereo_Count	0
57458936	Hydrogen_Bond_Acceptor_Count	28
705472	Non-hydrogen_Atom_Count	24
178080	Structure_Complexity	545
95809	TPSA	0
13264589	Hydrogen_Bond_Acceptor_Count	1
20681276	Non-hydrogen_Atom_Count	8
145515817	Undefined_Bond_Stereo_Count	0
8167	Isotope_Atom_Count	0
5281643	TPSA	207
253298	Undefined_Atom_Stereo_Count	1
11963557	Total_Formal_Charge	0
12512794	Non-hydrogen_Atom_Count	7
3036931	Isotope_Atom_Count	0
6946	Hydrogen_Bond_Acceptor_Count	3
44187	TPSA	271
158385	Mono_Isotopic_Weight	1148.43169
492	Total_Formal_Charge	0
59227	Exact_Mass	315.16568559
90409366	Defined_Atom_Stereo_Count	1
9948588	Defined_Atom_Stereo_Count	0
13104807	Non-hydrogen_Atom_Count	43
126480242	Undefined_Atom_Stereo_Count	0
139348436	Covalent_Unit_Count	1
71463825	Mono_Isotopic_Weight	1201.84136802
68790	TPSA	30.2
6204	Covalent_Unit_Count	1
54046302	Covalent_Unit_Count	1
45356872	Exact_Mass	545.26248182
20395	XLogP3-AA	4.3
519112	Mono_Isotopic_Weight	600.14924298
11358	Total_Formal_Charge	0
6931560	Hydrogen_Bond_Donor_Count	1
1550470	Isotope_Atom_Count	0
3082460	Non-hydrogen_Atom_Count	24
5086	Total_Formal_Charge	0
61120	Mono_Isotopic_Weight	263.15214353
5364328	Exact_Mass	79.042199164
439373	Rotatable_Bond_Count	2
90489753	Non-hydrogen_Atom_Count	47
5483	TPSA	67.4
53856389	Defined_Bond_Stereo_Count	0
721861	Non-hydrogen_Atom_Count	14
4344	Molecular_Weight	105.16
8005	Exact_Mass	92.0392780
85912645	TPSA	32.8
97780	Structure_Complexity	164
22234	Non-hydrogen_Atom_Count	12
62449	Defined_Bond_Stereo_Count	0
313444	Defined_Atom_Stereo_Count	0
54686764	TPSA	182
138756229	Hydrogen_Bond_Donor_Count	2
70589	Undefined_Atom_Stereo_Count	0
12720	TPSA	0
130035101	Mono_Isotopic_Weight	112.052429494
26877	Structure_Complexity	835
12962854	Hydrogen_Bond_Donor_Count	0
21880519	Mono_Isotopic_Weight	144.151415257
522	Covalent_Unit_Count	1
85843728	Hydrogen_Bond_Acceptor_Count	2
42602260	Non-hydrogen_Atom_Count	30
24439	Structure_Complexity	36.8
153977505	Undefined_Bond_Stereo_Count	0
137642	XLogP3-AA	1
516902	Tautomer_Count	1
146364	Defined_Atom_Stereo_Count	7
91617630	Non-hydrogen_Atom_Count	28
641294	Exact_Mass	162.068079557
21228	Undefined_Bond_Stereo_Count	0
5702049	Undefined_Bond_Stereo_Count	0
136122	Tautomer_Count	1
77191	Hydrogen_Bond_Donor_Count	0
6857538	Defined_Atom_Stereo_Count	2
413537	Defined_Bond_Stereo_Count	0
26191	TPSA	49.7
148121	Molecular_Weight	477.5
13925600	Hydrogen_Bond_Donor_Count	1
479930	Undefined_Atom_Stereo_Count	1
23294	Structure_Complexity	53.6
71583159	Molecular_Weight	466.6
67683363	Hydrogen_Bond_Acceptor_Count	10
6453497	Molecular_Weight	329.8
22162	Defined_Atom_Stereo_Count	0
2733531	Structure_Complexity	681
12711096	Exact_Mass	110.084398327
139692	TPSA	0
43838	Rotatable_Bond_Count	5
91175918	Hydrogen_Bond_Acceptor_Count	0
947	XLogP3-AA	0.1
8411	Hydrogen_Bond_Acceptor_Count	4
518234	Hydrogen_Bond_Acceptor_Count	1
11402147	TPSA	26
111314	Undefined_Atom_Stereo_Count	1
5720	Exact_Mass	298.06636548
129833854	Hydrogen_Bond_Acceptor_Count	7
91878	Defined_Bond_Stereo_Count	0
20297545	Isotope_Atom_Count	0
80274	Isotope_Atom_Count	0
6915836	Hydrogen_Bond_Acceptor_Count	9
44338843	TPSA	151
10093379	Total_Formal_Charge	0
64303	Hydrogen_Bond_Acceptor_Count	3
6420022	Defined_Atom_Stereo_Count	0
24737642	Hydrogen_Bond_Acceptor_Count	7
15109	Defined_Bond_Stereo_Count	0
446284	Structure_Complexity	398
7914	Structure_Complexity	33.4
13170	Defined_Atom_Stereo_Count	0
6971097	Exact_Mass	180.06338810
83193	TPSA	30.4
643798	Covalent_Unit_Count	1
131885396	Total_Formal_Charge	0
12310	Structure_Complexity	58.6
1546	XLogP3	0.8
58550596	XLogP3-AA	0.8
16249	Exact_Mass	144.04225873
5283741	Molecular_Weight	416.6
21359349	Mono_Isotopic_Weight	155.142041939
19077520	Defined_Atom_Stereo_Count	0
108108	Defined_Bond_Stereo_Count	0
6992140	Molecular_Weight	333.34
64236	XLogP3-AA	1.8
3036507	Defined_Atom_Stereo_Count	12
56843375	Covalent_Unit_Count	1
48883	Mono_Isotopic_Weight	356.1283001
3413278	Total_Formal_Charge	1
7460	Rotatable_Bond_Count	1
156963344	Hydrogen_Bond_Acceptor_Count	6
40030	Defined_Bond_Stereo_Count	0
6433345	Non-hydrogen_Atom_Count	58
197835	Rotatable_Bond_Count	3
129722587	Undefined_Atom_Stereo_Count	0
17038	Defined_Bond_Stereo_Count	0
5748152	Total_Formal_Charge	0
5326566	Total_Formal_Charge	0
2724159	Defined_Atom_Stereo_Count	1
55289386	Hydrogen_Bond_Donor_Count	1
2762895	Non-hydrogen_Atom_Count	8
16072219	TPSA	173
83167	TPSA	132
6328684	Total_Formal_Charge	1
372	Non-hydrogen_Atom_Count	13
9718	Rotatable_Bond_Count	0
266651	Undefined_Atom_Stereo_Count	12
2135	Defined_Atom_Stereo_Count	0
90488948	Tautomer_Count	6
54565105	Covalent_Unit_Count	1
34005	Hydrogen_Bond_Acceptor_Count	2
55255930	Defined_Atom_Stereo_Count	0
10405997	Covalent_Unit_Count	1
580518	Undefined_Bond_Stereo_Count	1
9596	Rotatable_Bond_Count	2
9547700	Hydrogen_Bond_Donor_Count	1
25375	Covalent_Unit_Count	1
246724	Covalent_Unit_Count	1
17534	Tautomer_Count	1
57865	Total_Formal_Charge	0
129474	Defined_Atom_Stereo_Count	0
12441597	Exact_Mass	116.083729621
36688209	Rotatable_Bond_Count	7
86220885	XLogP3-AA	0.5
6951123	Non-hydrogen_Atom_Count	10
21954793	Total_Formal_Charge	0
41109	Isotope_Atom_Count	0
11062343	Isotope_Atom_Count	0
2628	Defined_Bond_Stereo_Count	0
12319	Isotope_Atom_Count	0
301567	Mono_Isotopic_Weight	100.088815002
57484	Defined_Atom_Stereo_Count	0
56845452	Total_Formal_Charge	0
61120	Total_Formal_Charge	0
44455045	Hydrogen_Bond_Acceptor_Count	12
12231415	Rotatable_Bond_Count	1
123332	Covalent_Unit_Count	1
30199	Non-hydrogen_Atom_Count	12
40073	Molecular_Weight	462.5
10335364	Total_Formal_Charge	0
26035	XLogP3	4.3
47936	Undefined_Bond_Stereo_Count	0
65679	TPSA	105
143051390	Rotatable_Bond_Count	2
57261612	Structure_Complexity	89.7
16217248	Mono_Isotopic_Weight	115.099714038
71829	Mono_Isotopic_Weight	382.1037253
68489225	Structure_Complexity	534
2203	Defined_Atom_Stereo_Count	0
44370729	Mono_Isotopic_Weight	237.07832714
7060	Exact_Mass	143.073499291
68933	Covalent_Unit_Count	1
33558	Hydrogen_Bond_Donor_Count	0
24180719	Structure_Complexity	648
11182575	Molecular_Weight	98.14
6871	Defined_Bond_Stereo_Count	0
92210	Molecular_Weight	116.16
2762894	Non-hydrogen_Atom_Count	8
94011387	Undefined_Bond_Stereo_Count	0
2160	Hydrogen_Bond_Acceptor_Count	1
23616669	Undefined_Bond_Stereo_Count	0
101176453	Molecular_Weight	1034.2
819440	XLogP3-AA	0.6
12068306	Isotope_Atom_Count	0
42574	Tautomer_Count	79
67247849	Defined_Atom_Stereo_Count	0
6004	Defined_Atom_Stereo_Count	0
45086609	Molecular_Weight	142.16
3082718	Covalent_Unit_Count	1
10437728	Mono_Isotopic_Weight	557.17737004
23691996	Isotope_Atom_Count	0
5815211	Covalent_Unit_Count	1
117064644	Undefined_Atom_Stereo_Count	1
5281612	Defined_Atom_Stereo_Count	0
89149682	Molecular_Weight	101.15
130152397	Exact_Mass	112.052429494
18673160	XLogP3-AA	3.4
84075	Molecular_Weight	551.6
54077736	Defined_Atom_Stereo_Count	0
68284	Rotatable_Bond_Count	1
86222	Undefined_Atom_Stereo_Count	1
153005	Exact_Mass	217.04087901
9604654	Total_Formal_Charge	0
60134	Structure_Complexity	533
31716	Defined_Atom_Stereo_Count	0
72790	Defined_Bond_Stereo_Count	0
6358	Undefined_Bond_Stereo_Count	0
839580	Structure_Complexity	431
16129704	Defined_Atom_Stereo_Count	16
119097373	Covalent_Unit_Count	1
10177255	Molecular_Weight	371.8
70683090	Hydrogen_Bond_Donor_Count	0
56949747	Defined_Atom_Stereo_Count	4
68238	Total_Formal_Charge	0
82197	Tautomer_Count	2
85047	Tautomer_Count	1
562683	Undefined_Atom_Stereo_Count	0
1957	Defined_Atom_Stereo_Count	0
21806652	Defined_Atom_Stereo_Count	0
36250	Tautomer_Count	1
443939	Total_Formal_Charge	0
11908489	Mono_Isotopic_Weight	342.11621151
60769	TPSA	67.9
135436533	Undefined_Bond_Stereo_Count	0
130142668	Structure_Complexity	81
20996	XLogP3	8.5
17520	Isotope_Atom_Count	0
54023308	XLogP3-AA	1.3
54765	Hydrogen_Bond_Acceptor_Count	6
36312	Undefined_Bond_Stereo_Count	0
75606	Molecular_Weight	103.08
53663591	Exact_Mass	112.063662883
662	TPSA	107
14872976	XLogP3-AA	0.9
93536	XLogP3-AA	4.4
2443	Exact_Mass	653.22128
12224251	Molecular_Weight	112.13
2762647	Rotatable_Bond_Count	1
820051	TPSA	65.2
10628031	Defined_Atom_Stereo_Count	8
11861988	Exact_Mass	134.096974387
5636	Hydrogen_Bond_Acceptor_Count	5
162531	Hydrogen_Bond_Donor_Count	0
82593534	TPSA	32.3
21983433	Covalent_Unit_Count	3
85979	Hydrogen_Bond_Acceptor_Count	1
660	Hydrogen_Bond_Acceptor_Count	2
131740853	Hydrogen_Bond_Donor_Count	3
20656311	Isotope_Atom_Count	0
15789248	Total_Formal_Charge	0
185588	Rotatable_Bond_Count	3
6496	Covalent_Unit_Count	1
21654475	Molecular_Weight	161.54
7180	Hydrogen_Bond_Acceptor_Count	3
6529	Hydrogen_Bond_Donor_Count	0
12585787	Hydrogen_Bond_Acceptor_Count	1
1706	Molecular_Weight	178.23
154067559	Total_Formal_Charge	0
56843466	TPSA	132
123816	Undefined_Bond_Stereo_Count	1
86435	Covalent_Unit_Count	1
11423572	Hydrogen_Bond_Acceptor_Count	2
6163	Mono_Isotopic_Weight	154.02997997
57280823	Molecular_Weight	115.16
4673	Tautomer_Count	1
123875607	XLogP3-AA	0.1
4775	Defined_Bond_Stereo_Count	0
72060	Non-hydrogen_Atom_Count	15
24781	Non-hydrogen_Atom_Count	7
12720825	Covalent_Unit_Count	1
14221107	Undefined_Atom_Stereo_Count	0
447	Covalent_Unit_Count	1
149697	Isotope_Atom_Count	0
15412	Defined_Atom_Stereo_Count	0
9953887	Isotope_Atom_Count	0
14962	Total_Formal_Charge	0
65174	TPSA	221
111727	Non-hydrogen_Atom_Count	14
25102936	Exact_Mass	426.13865659
37249	Non-hydrogen_Atom_Count	18
5256168	Undefined_Bond_Stereo_Count	0
20387231	Mono_Isotopic_Weight	99.104799419
70309	Covalent_Unit_Count	1
42827	Defined_Bond_Stereo_Count	0
21503772	Total_Formal_Charge	0
57469	Undefined_Atom_Stereo_Count	0
7098630	Undefined_Bond_Stereo_Count	0
214321	Isotope_Atom_Count	0
26035	Defined_Bond_Stereo_Count	0
17355	Total_Formal_Charge	0
12367843	Mono_Isotopic_Weight	108.093900383
138059742	Rotatable_Bond_Count	3
12579106	Hydrogen_Bond_Donor_Count	1
12740771	Defined_Bond_Stereo_Count	0
10110	Hydrogen_Bond_Donor_Count	1
22477643	Non-hydrogen_Atom_Count	8
13459667	Undefined_Atom_Stereo_Count	1
5352624	XLogP3	4.8
44581145	Hydrogen_Bond_Donor_Count	4
69338	Hydrogen_Bond_Donor_Count	1
6433586	Total_Formal_Charge	0
79608	Rotatable_Bond_Count	0
11697697	Tautomer_Count	5
49868036	Rotatable_Bond_Count	26
5497105	Covalent_Unit_Count	1
518713	Covalent_Unit_Count	1
51397022	Exact_Mass	424.23620751
31803	Isotope_Atom_Count	0
13334302	Structure_Complexity	68.8
63036	Exact_Mass	512.12098
7482	Covalent_Unit_Count	1
45257	Mono_Isotopic_Weight	291.18344366
522606	Mono_Isotopic_Weight	121.9382805
17458	Mono_Isotopic_Weight	386.08175801
13315542	Rotatable_Bond_Count	1
345901	Undefined_Bond_Stereo_Count	0
138492	Tautomer_Count	3
24582	XLogP3-AA	13
3862645	Molecular_Weight	271.38
12576852	Covalent_Unit_Count	1
9915813	Defined_Bond_Stereo_Count	0
10285778	Covalent_Unit_Count	1
132281917	Total_Formal_Charge	0
517320	Hydrogen_Bond_Acceptor_Count	6
139920	Tautomer_Count	1
63134	TPSA	32.7
649153	Rotatable_Bond_Count	10
817122	Defined_Atom_Stereo_Count	0
575802	Non-hydrogen_Atom_Count	14
257	Exact_Mass	711.43226354
85252	Rotatable_Bond_Count	4
74353448	Mono_Isotopic_Weight	556.18755704
13478	Hydrogen_Bond_Acceptor_Count	9
410702	Non-hydrogen_Atom_Count	18
1530	Undefined_Bond_Stereo_Count	0
2733294	Hydrogen_Bond_Donor_Count	0
16772299	Hydrogen_Bond_Acceptor_Count	1
25063260	Exact_Mass	565.2013347
5816	Undefined_Bond_Stereo_Count	0
443408	Covalent_Unit_Count	1
141174518	Undefined_Bond_Stereo_Count	0
168365	Defined_Atom_Stereo_Count	0
12648672	XLogP3-AA	0.4
18329011	Undefined_Bond_Stereo_Count	0
12955	Undefined_Bond_Stereo_Count	0
16759173	Isotope_Atom_Count	0
94398	Isotope_Atom_Count	0
81426	Exact_Mass	166.06636548
254139	Undefined_Bond_Stereo_Count	0
9875401	Isotope_Atom_Count	0
66297	Structure_Complexity	8
3775	Undefined_Atom_Stereo_Count	0
1426	Undefined_Atom_Stereo_Count	1
17820196	Hydrogen_Bond_Donor_Count	0
5092	Non-hydrogen_Atom_Count	20
7959	Covalent_Unit_Count	1
11170931	Undefined_Bond_Stereo_Count	0
10473088	TPSA	98
3081	Covalent_Unit_Count	1
18182	Undefined_Atom_Stereo_Count	0
129876172	Rotatable_Bond_Count	4
91563	Isotope_Atom_Count	0
70722	Undefined_Bond_Stereo_Count	0
5355853	Rotatable_Bond_Count	7
66840	Mono_Isotopic_Weight	242.95311
13810	Covalent_Unit_Count	2
24401	Molecular_Weight	118.936
701741	Molecular_Weight	274.31
3073200	Covalent_Unit_Count	1
2759	XLogP3-AA	1.5
118797610	Structure_Complexity	151
61444	Covalent_Unit_Count	9
11789135	Total_Formal_Charge	0
71643	TPSA	32.6
104954	TPSA	63
151039	Rotatable_Bond_Count	2
64463	Undefined_Bond_Stereo_Count	0
56270	Non-hydrogen_Atom_Count	18
62883	Hydrogen_Bond_Acceptor_Count	10
91302105	Hydrogen_Bond_Donor_Count	0
439178	Defined_Bond_Stereo_Count	0
53708930	Structure_Complexity	87.7
25052023	Rotatable_Bond_Count	6
189031	Isotope_Atom_Count	0
616632	Undefined_Bond_Stereo_Count	0
14990169	Defined_Bond_Stereo_Count	0
126664809	Hydrogen_Bond_Acceptor_Count	5
11469158	Undefined_Atom_Stereo_Count	0
667497	Hydrogen_Bond_Acceptor_Count	2
73399	Hydrogen_Bond_Acceptor_Count	6
98442	Defined_Bond_Stereo_Count	0
73093	Total_Formal_Charge	0
12507	Hydrogen_Bond_Donor_Count	0
115368	Hydrogen_Bond_Acceptor_Count	6
19438038	Isotope_Atom_Count	0
7098680	TPSA	61.9
65105	XLogP3-AA	0.9
4284331	Covalent_Unit_Count	1
13610389	TPSA	30.7
11181836	Covalent_Unit_Count	2
23551	Mono_Isotopic_Weight	290.199428076
9168	Undefined_Bond_Stereo_Count	0
103544	Covalent_Unit_Count	1
90420227	Hydrogen_Bond_Donor_Count	1
3033673	Defined_Atom_Stereo_Count	0
12619120	Total_Formal_Charge	0
23362267	XLogP3-AA	0.3
9962735	Rotatable_Bond_Count	31
10479060	Structure_Complexity	709
17652	XLogP3	1.2
528405	Undefined_Atom_Stereo_Count	0
11263485	TPSA	3.2
11589453	Rotatable_Bond_Count	5
35489	Structure_Complexity	384
7454	Undefined_Bond_Stereo_Count	0
12473807	Non-hydrogen_Atom_Count	7
11294	Undefined_Atom_Stereo_Count	0
2077	Total_Formal_Charge	0
16498	Non-hydrogen_Atom_Count	11
129396765	Isotope_Atom_Count	0
53656122	Defined_Atom_Stereo_Count	1
60196334	Undefined_Atom_Stereo_Count	0
11412863	Defined_Bond_Stereo_Count	0
67486	Structure_Complexity	193
56669107	XLogP3-AA	1
60810	Structure_Complexity	650
65575055	Non-hydrogen_Atom_Count	8
69781756	Defined_Atom_Stereo_Count	0
5791	Mono_Isotopic_Weight	275.1288213
11396600	Defined_Atom_Stereo_Count	5
456214	XLogP3-AA	4.3
25201614	Defined_Atom_Stereo_Count	0
77097	Rotatable_Bond_Count	4
71300746	Defined_Bond_Stereo_Count	0
2723800	Mono_Isotopic_Weight	350.1298243
565251	Isotope_Atom_Count	0
175967	TPSA	140
242493	Mono_Isotopic_Weight	306.255880323
80900	Covalent_Unit_Count	1
71511839	TPSA	618
135402010	Molecular_Weight	459.5
90961655	Non-hydrogen_Atom_Count	7
54369	Non-hydrogen_Atom_Count	24
2955894	Molecular_Weight	407.5
6224	Exact_Mass	257.97283534
114781	Hydrogen_Bond_Acceptor_Count	2
12519787	Undefined_Bond_Stereo_Count	0
9951932	Total_Formal_Charge	0
53359023	Non-hydrogen_Atom_Count	27
180559	Molecular_Weight	266.34
57292	Molecular_Weight	288.85
6852147	Undefined_Atom_Stereo_Count	0
6419765	Hydrogen_Bond_Acceptor_Count	3
219100	Defined_Bond_Stereo_Count	0
6119	Total_Formal_Charge	0
70684314	Defined_Atom_Stereo_Count	0
26923	Molecular_Weight	150.23
5281417	Defined_Atom_Stereo_Count	5
3032910	TPSA	63.6
166558989	Non-hydrogen_Atom_Count	8
138394128	Mono_Isotopic_Weight	624.171497
76745	Hydrogen_Bond_Acceptor_Count	9
16547	Mono_Isotopic_Weight	210.05282342
65715	Hydrogen_Bond_Acceptor_Count	3
444450	Hydrogen_Bond_Acceptor_Count	10
135988	Defined_Atom_Stereo_Count	0
11473	Defined_Bond_Stereo_Count	0
10459649	Hydrogen_Bond_Donor_Count	2
31136	Total_Formal_Charge	0
556485	Exact_Mass	112.088815002
3055174	Exact_Mass	468.23234512
134826704	Hydrogen_Bond_Acceptor_Count	17
397053	Mono_Isotopic_Weight	511.9605092
946372	Undefined_Atom_Stereo_Count	0
20082	Exact_Mass	112.125200510
47811	Non-hydrogen_Atom_Count	22
7914	Hydrogen_Bond_Donor_Count	0
544613	Hydrogen_Bond_Acceptor_Count	2
6432744	Molecular_Weight	414.7
72200721	Molecular_Weight	522.4
44623071	Rotatable_Bond_Count	0
701186	Non-hydrogen_Atom_Count	21
5281951	Undefined_Atom_Stereo_Count	0
162639102	Undefined_Atom_Stereo_Count	0
16050931	Isotope_Atom_Count	0
135565082	Undefined_Bond_Stereo_Count	0
119198	TPSA	26.7
70685868	Hydrogen_Bond_Acceptor_Count	6
48419	Non-hydrogen_Atom_Count	24
7220	Mono_Isotopic_Weight	119.048347172
15037	Molecular_Weight	147.17
5357402	Hydrogen_Bond_Acceptor_Count	0
43962	TPSA	25.8
74764517	TPSA	60.7
19385	Defined_Atom_Stereo_Count	0
70697352	Defined_Bond_Stereo_Count	0
97341	Undefined_Atom_Stereo_Count	2
103940	Defined_Atom_Stereo_Count	0
9849425	Hydrogen_Bond_Donor_Count	6
87599626	Defined_Bond_Stereo_Count	0
6436143	Exact_Mass	1578.658339
9446	Covalent_Unit_Count	1
190816	TPSA	83.6
133520	Hydrogen_Bond_Donor_Count	2
16682746	Defined_Bond_Stereo_Count	0
21717212	Hydrogen_Bond_Acceptor_Count	7
9805	Covalent_Unit_Count	1
79067	Hydrogen_Bond_Donor_Count	2
3085389	Rotatable_Bond_Count	6
85573568	Undefined_Atom_Stereo_Count	0
9828310	Rotatable_Bond_Count	19
20848883	Mono_Isotopic_Weight	561.0801915
108108	Isotope_Atom_Count	0
11492	Exact_Mass	137.084063974
2734243	Molecular_Weight	340.29
16653	TPSA	45.6
5205	TPSA	3.2
3826	Hydrogen_Bond_Acceptor_Count	3
129644131	TPSA	20.2
81150	Isotope_Atom_Count	0
93418	Defined_Atom_Stereo_Count	0
19991465	Undefined_Bond_Stereo_Count	0
54684141	Total_Formal_Charge	0
44338843	Hydrogen_Bond_Donor_Count	3
3340152	Structure_Complexity	115
9961878	Molecular_Weight	719.6
9821941	Hydrogen_Bond_Acceptor_Count	5
2723598	Tautomer_Count	2
22499346	Isotope_Atom_Count	0
51629	Hydrogen_Bond_Acceptor_Count	3
31903	Structure_Complexity	376
39700	Rotatable_Bond_Count	4
20711973	Covalent_Unit_Count	1
59771	Defined_Atom_Stereo_Count	0
9843750	TPSA	98.7
23643936	Molecular_Weight	893.2
5281794	Defined_Bond_Stereo_Count	1
5642	Undefined_Atom_Stereo_Count	4
8520	Defined_Atom_Stereo_Count	0
19873782	Hydrogen_Bond_Donor_Count	1
12199010	Defined_Bond_Stereo_Count	0
31226	TPSA	26.3
11178958	Rotatable_Bond_Count	1
5323977	Non-hydrogen_Atom_Count	8
33503	Non-hydrogen_Atom_Count	15
20041	Defined_Atom_Stereo_Count	0
7667	Hydrogen_Bond_Donor_Count	0
85627952	Isotope_Atom_Count	0
71094775	Undefined_Atom_Stereo_Count	5
6973664	Total_Formal_Charge	0
122174048	Mono_Isotopic_Weight	627.8438521
8946	Undefined_Atom_Stereo_Count	1
3151	Defined_Atom_Stereo_Count	0
12317347	Defined_Atom_Stereo_Count	0
9830667	Isotope_Atom_Count	0
10574415	Undefined_Atom_Stereo_Count	0
51754	Undefined_Atom_Stereo_Count	1
4189	Exact_Mass	415.983074
57575	TPSA	111
691156	Defined_Atom_Stereo_Count	0
1449	XLogP3	7.1
7873	Rotatable_Bond_Count	10
442348	Structure_Complexity	323
11099	Exact_Mass	167.094628657
10831	Tautomer_Count	4
12414299	Total_Formal_Charge	0
5282045	Isotope_Atom_Count	0
12415	Undefined_Atom_Stereo_Count	0
2827646	TPSA	61.7
164075219	Undefined_Bond_Stereo_Count	0
7413	Exact_Mass	128.083729621
14012	Covalent_Unit_Count	4
611887	Exact_Mass	229.110278721
67771108	Defined_Atom_Stereo_Count	0
19143	TPSA	23.5
20535601	Mono_Isotopic_Weight	113.084063974
59107469	Molecular_Weight	113.20
12343986	Isotope_Atom_Count	0
216468	XLogP3-AA	1.8
70060	TPSA	75.4
143392159	Undefined_Bond_Stereo_Count	0
42051894	Non-hydrogen_Atom_Count	23
18622352	Rotatable_Bond_Count	1
3074	Undefined_Bond_Stereo_Count	0
64966	Hydrogen_Bond_Acceptor_Count	4
6369	Hydrogen_Bond_Donor_Count	0
57656729	Exact_Mass	414.1225460
114812	Total_Formal_Charge	0
37248	Mono_Isotopic_Weight	289.922361
24598	Covalent_Unit_Count	4
21696748	Isotope_Atom_Count	0
45116667	Defined_Atom_Stereo_Count	0
79083	Tautomer_Count	1
12350	Total_Formal_Charge	0
11111	Exact_Mass	307.06267708
54675783	TPSA	165
66532	Rotatable_Bond_Count	1
9809002	Molecular_Weight	608.6
13266	Structure_Complexity	236
6918025	Mono_Isotopic_Weight	1190.50414357
23635364	Hydrogen_Bond_Acceptor_Count	2
714937	Undefined_Bond_Stereo_Count	0
1476679	Rotatable_Bond_Count	4
23689317	Rotatable_Bond_Count	3
726370	Mono_Isotopic_Weight	322.17149925
17351	Structure_Complexity	246
90561	Hydrogen_Bond_Donor_Count	2
54556623	Rotatable_Bond_Count	4
14871	Rotatable_Bond_Count	14
14494974	Mono_Isotopic_Weight	100.052429494
1706	Exact_Mass	178.121846464
20639618	TPSA	0
3047795	Structure_Complexity	234
49784002	Hydrogen_Bond_Acceptor_Count	5
8566	Isotope_Atom_Count	0
147226284	Undefined_Atom_Stereo_Count	2
88489585	Exact_Mass	118.062994177
18955656	Defined_Bond_Stereo_Count	0
79718	Non-hydrogen_Atom_Count	22
46936967	Mono_Isotopic_Weight	359.966246
414248	Total_Formal_Charge	1
20784398	Rotatable_Bond_Count	2
70482	XLogP3-AA	0.1
254320	Hydrogen_Bond_Donor_Count	2
16657	Exact_Mass	98.109550447
5283134	Total_Formal_Charge	0
93374	Undefined_Atom_Stereo_Count	0
130770920	Hydrogen_Bond_Acceptor_Count	2
10229498	Mono_Isotopic_Weight	511.932274
12524	Hydrogen_Bond_Acceptor_Count	2
20072996	Molecular_Weight	101.15
4090	Structure_Complexity	607
3034048	Undefined_Bond_Stereo_Count	0
9555	Defined_Atom_Stereo_Count	0
4095801	Defined_Bond_Stereo_Count	0
143403310	Total_Formal_Charge	0
83904773	Undefined_Atom_Stereo_Count	3
147614	TPSA	32.7
53678703	Molecular_Weight	112.13
5846454	Undefined_Atom_Stereo_Count	0
160647	Rotatable_Bond_Count	8
5365748	Tautomer_Count	1
11380	Molecular_Weight	257.76
46783786	Mono_Isotopic_Weight	458.0638210
14808025	Molecular_Weight	101.10
58087	Mono_Isotopic_Weight	388.0210617
4366885	Defined_Bond_Stereo_Count	0
8083388	Rotatable_Bond_Count	4
53384934	Rotatable_Bond_Count	3
643790	Defined_Bond_Stereo_Count	1
15278234	Defined_Bond_Stereo_Count	0
10292887	Undefined_Atom_Stereo_Count	0
24864463	TPSA	72.8
13589	Total_Formal_Charge	0
14690973	Tautomer_Count	1
95571	Isotope_Atom_Count	0
254132	Hydrogen_Bond_Donor_Count	1
98097	Hydrogen_Bond_Donor_Count	0
12599704	Exact_Mass	102.068079557
154017157	Undefined_Bond_Stereo_Count	0
66192	Total_Formal_Charge	0
637572	Tautomer_Count	1
4629	Covalent_Unit_Count	1
141704	Isotope_Atom_Count	0
11593	Defined_Atom_Stereo_Count	0
91753	TPSA	40.6
631779	Mono_Isotopic_Weight	352.101702159
16739648	Non-hydrogen_Atom_Count	24
12248518	Exact_Mass	116.083729621
60196313	Mono_Isotopic_Weight	231.162314293
116119794	Covalent_Unit_Count	1
55472	Rotatable_Bond_Count	21
80971	Hydrogen_Bond_Acceptor_Count	3
91623917	Covalent_Unit_Count	1
3520	Structure_Complexity	26.3
146157727	Isotope_Atom_Count	0
50614	Mono_Isotopic_Weight	575.00214522
20705517	Isotope_Atom_Count	0
133886	Isotope_Atom_Count	0
5460263	TPSA	66.2
23708	Rotatable_Bond_Count	12
27448	Defined_Atom_Stereo_Count	0
162839	Defined_Atom_Stereo_Count	0
136055781	Covalent_Unit_Count	1
13795010	Rotatable_Bond_Count	1
56955181	Mono_Isotopic_Weight	350.178298710
85694	Covalent_Unit_Count	1
69674601	Hydrogen_Bond_Donor_Count	1
11424880	Hydrogen_Bond_Donor_Count	1
91347456	Rotatable_Bond_Count	1
519466	TPSA	50.4
101622923	Defined_Atom_Stereo_Count	0
121596688	Exact_Mass	1564.87256155
20431673	Undefined_Atom_Stereo_Count	1
3521	TPSA	179
4671	Isotope_Atom_Count	0
117616350	Isotope_Atom_Count	0
19438210	Non-hydrogen_Atom_Count	8
524766	Molecular_Weight	95.14
54584258	Undefined_Bond_Stereo_Count	0
5281614	Covalent_Unit_Count	1
66112	Non-hydrogen_Atom_Count	6
404289	Non-hydrogen_Atom_Count	23
5842000	Defined_Bond_Stereo_Count	1
2786	Non-hydrogen_Atom_Count	27
104838	Undefined_Atom_Stereo_Count	0
409347	Defined_Bond_Stereo_Count	0
60155100	Defined_Atom_Stereo_Count	0
135430996	Mono_Isotopic_Weight	565.24712380
69021	Defined_Bond_Stereo_Count	0
18380130	Molecular_Weight	116.12
9892539	Structure_Complexity	633
638026	Rotatable_Bond_Count	4
134129846	Undefined_Atom_Stereo_Count	1
522354	Undefined_Atom_Stereo_Count	0
518900	Hydrogen_Bond_Acceptor_Count	3
46244883	Defined_Bond_Stereo_Count	0
657308	Covalent_Unit_Count	2
16699	XLogP3-AA	0.3
1550694	Molecular_Weight	360.5
20158038	Hydrogen_Bond_Acceptor_Count	1
11350631	XLogP3-AA	5.4
4917	TPSA	35
67502	Undefined_Bond_Stereo_Count	0
35935	Covalent_Unit_Count	1
23537	Tautomer_Count	3
5458589	Non-hydrogen_Atom_Count	30
5244	Defined_Bond_Stereo_Count	0
221523	Defined_Bond_Stereo_Count	0
57249823	Structure_Complexity	148
9889867	Mono_Isotopic_Weight	448.21105539
38088	Hydrogen_Bond_Donor_Count	1
57396625	Total_Formal_Charge	0
44557554	Exact_Mass	528.27121086
121290475	Defined_Bond_Stereo_Count	0
15273523	Undefined_Atom_Stereo_Count	0
56473	Hydrogen_Bond_Acceptor_Count	3
1249	Defined_Bond_Stereo_Count	0
91538	Rotatable_Bond_Count	1
6956334	Exact_Mass	385.03991
85802	Isotope_Atom_Count	0
2175	Rotatable_Bond_Count	9
44565821	TPSA	142
53318409	Rotatable_Bond_Count	3
14357	Structure_Complexity	269
66491	Undefined_Bond_Stereo_Count	0
90895	Tautomer_Count	1
76356	Structure_Complexity	211
7928	Undefined_Bond_Stereo_Count	0
11346	XLogP3	1.3
24883486	Undefined_Bond_Stereo_Count	0
58453	Isotope_Atom_Count	0
8233	Non-hydrogen_Atom_Count	51
23279022	Structure_Complexity	50
107377	XLogP3-AA	4.5
12452021	Non-hydrogen_Atom_Count	8
25077405	Undefined_Atom_Stereo_Count	0
129866213	Covalent_Unit_Count	1
2787	Covalent_Unit_Count	1
5320621	Structure_Complexity	376
57391458	Defined_Bond_Stereo_Count	0
5354325	Total_Formal_Charge	0
58044734	Mono_Isotopic_Weight	99.068413911
4268635	Exact_Mass	152.0392780
69109362	Mono_Isotopic_Weight	101.047678466
17014	XLogP3-AA	3
4068533	Defined_Atom_Stereo_Count	0
20429663	Isotope_Atom_Count	0
4938	Isotope_Atom_Count	0
575734	Undefined_Atom_Stereo_Count	0
11113597	TPSA	166
626607	Defined_Bond_Stereo_Count	0
494023	Hydrogen_Bond_Donor_Count	8
7213679	XLogP3	2.3
573612	Total_Formal_Charge	0
51416813	Molecular_Weight	369.4
2734233	TPSA	8.8
11364421	Undefined_Bond_Stereo_Count	0
130804992	Defined_Atom_Stereo_Count	0
9846588	Isotope_Atom_Count	0
54583833	TPSA	34.2
21585658	Undefined_Bond_Stereo_Count	0
21872002	Hydrogen_Bond_Acceptor_Count	2
141319360	Covalent_Unit_Count	1
33286	Non-hydrogen_Atom_Count	10
38350	Defined_Bond_Stereo_Count	0
291703	Mono_Isotopic_Weight	256.109944368
24776154	Defined_Atom_Stereo_Count	0
118209675	XLogP3-AA	0.2
71624580	XLogP3-AA	1.7
544563	TPSA	12.5
15062870	TPSA	41.1
8777	Undefined_Atom_Stereo_Count	0
10678204	Hydrogen_Bond_Donor_Count	1
23631982	Covalent_Unit_Count	1
17455	Exact_Mass	394.19556569
10027822	Hydrogen_Bond_Donor_Count	2
21218	Defined_Atom_Stereo_Count	0
67495	Molecular_Weight	198.29
41555	Undefined_Atom_Stereo_Count	0
15664	Molecular_Weight	184.24
61585	Molecular_Weight	244.37
12355883	Isotope_Atom_Count	0
1800393	Undefined_Atom_Stereo_Count	0
69342090	Molecular_Weight	108.10
6975	Covalent_Unit_Count	1
14494974	Non-hydrogen_Atom_Count	7
22379495	Undefined_Atom_Stereo_Count	0
124870718	XLogP3-AA	4.1
101080369	Defined_Bond_Stereo_Count	0
7076	Undefined_Atom_Stereo_Count	0
65840	Structure_Complexity	82.7
73183709	Hydrogen_Bond_Donor_Count	1
11673921	Covalent_Unit_Count	1
681	Defined_Bond_Stereo_Count	0
9064	Hydrogen_Bond_Acceptor_Count	6
34001	Mono_Isotopic_Weight	341.1393859
12020	Rotatable_Bond_Count	2
44310775	Mono_Isotopic_Weight	375.21580641
53898266	Hydrogen_Bond_Acceptor_Count	3
4460	Undefined_Atom_Stereo_Count	11
91525	Undefined_Bond_Stereo_Count	0
141285438	Structure_Complexity	101
11651149	TPSA	26
140905	Structure_Complexity	80.4
118504287	Isotope_Atom_Count	0
2734040	Defined_Atom_Stereo_Count	0
51102	Defined_Atom_Stereo_Count	0
534241	Molecular_Weight	96.09
66965363	Defined_Bond_Stereo_Count	0
11779772	Isotope_Atom_Count	0
7986	Total_Formal_Charge	0
548671	Hydrogen_Bond_Acceptor_Count	1
98043899	Exact_Mass	416.32904526
72092	Structure_Complexity	600
12418	Undefined_Atom_Stereo_Count	0
95809	Undefined_Bond_Stereo_Count	0
4975	Isotope_Atom_Count	0
2887	Covalent_Unit_Count	1
10606708	Defined_Atom_Stereo_Count	0
8284	Defined_Bond_Stereo_Count	0
51029965	Rotatable_Bond_Count	7
25055	Structure_Complexity	45.8
140050359	Structure_Complexity	109
16591	XLogP3-AA	2.4
3611397	Defined_Bond_Stereo_Count	0
554363	Defined_Bond_Stereo_Count	0
18373078	Molecular_Weight	97.07
136843	Exact_Mass	167.094628657
8054	Exact_Mass	118.062994177
6438372	Defined_Bond_Stereo_Count	2
54580765	Mono_Isotopic_Weight	374.04357917
74809	Total_Formal_Charge	0
129696858	TPSA	116
11973	TPSA	201
169109	Molecular_Weight	215.25
72941990	Mono_Isotopic_Weight	390.0625864
8482	Mono_Isotopic_Weight	214.04121336
5111	Undefined_Bond_Stereo_Count	0
4350929	Tautomer_Count	1
547686	Non-hydrogen_Atom_Count	8
21187507	Undefined_Bond_Stereo_Count	0
87985965	Covalent_Unit_Count	1
7751	Mono_Isotopic_Weight	122.0134572
223866	Defined_Atom_Stereo_Count	0
8286	TPSA	0
123804812	TPSA	0
89424182	Undefined_Atom_Stereo_Count	3
123788466	Mono_Isotopic_Weight	95.048347172
709612	Undefined_Atom_Stereo_Count	0
517121	Structure_Complexity	225
18364059	Defined_Bond_Stereo_Count	0
12695899	Rotatable_Bond_Count	0
6631	Non-hydrogen_Atom_Count	14
57395975	Rotatable_Bond_Count	9
28679	Hydrogen_Bond_Acceptor_Count	2
173730	Hydrogen_Bond_Acceptor_Count	5
74325	Defined_Bond_Stereo_Count	0
594832	Rotatable_Bond_Count	1
10384259	Undefined_Bond_Stereo_Count	0
112412	Total_Formal_Charge	0
575408	Undefined_Bond_Stereo_Count	0
454216	Structure_Complexity	1350
57224326	Hydrogen_Bond_Acceptor_Count	1
20555317	TPSA	49.5
5454	Defined_Bond_Stereo_Count	0
5497163	Defined_Atom_Stereo_Count	0
44214615	Structure_Complexity	203
8474	Hydrogen_Bond_Donor_Count	2
11657	Total_Formal_Charge	0
12882502	Exact_Mass	112.088815002
222548	Hydrogen_Bond_Acceptor_Count	0
22833294	XLogP3-AA	5.1
457928	Isotope_Atom_Count	0
10133	Structure_Complexity	605
4283516	TPSA	231
32122	Undefined_Atom_Stereo_Count	1
156617950	Defined_Atom_Stereo_Count	10
11575878	Covalent_Unit_Count	1
11136922	Undefined_Atom_Stereo_Count	1
130114929	Defined_Atom_Stereo_Count	0
410906	Defined_Bond_Stereo_Count	0
6788	Rotatable_Bond_Count	22
529341	Isotope_Atom_Count	0
12984	Covalent_Unit_Count	1
53673	Structure_Complexity	191
7016383	Tautomer_Count	2
99058	Exact_Mass	260.02971899
70688569	Mono_Isotopic_Weight	385.16510826
2734181	Exact_Mass	251.1468424
40813	Undefined_Atom_Stereo_Count	0
124744577	Isotope_Atom_Count	0
21157625	Hydrogen_Bond_Donor_Count	0
984396	Defined_Bond_Stereo_Count	0
119098876	XLogP3-AA	17.5
12041	Tautomer_Count	2
61303	Undefined_Atom_Stereo_Count	0
129840260	Undefined_Bond_Stereo_Count	0
65513	TPSA	210
1649	Non-hydrogen_Atom_Count	13
135423771	Rotatable_Bond_Count	2
35726	Molecular_Weight	350.3
53860785	Undefined_Bond_Stereo_Count	0
62414	Hydrogen_Bond_Donor_Count	0
66662059	Molecular_Weight	467.5
23533306	Rotatable_Bond_Count	4
3036443	Defined_Atom_Stereo_Count	4
135471308	Covalent_Unit_Count	1
8571	Defined_Atom_Stereo_Count	0
529274	Isotope_Atom_Count	0
6436143	TPSA	571
2325	XLogP3-AA	3.4
17799937	Molecular_Weight	98.15
66577443	Molecular_Weight	260.22
55399	Rotatable_Bond_Count	21
3878	Defined_Bond_Stereo_Count	0
5358941	Total_Formal_Charge	0
15410449	Molecular_Weight	399.2
731747	Rotatable_Bond_Count	3
22986754	Defined_Bond_Stereo_Count	0
23677676	Hydrogen_Bond_Acceptor_Count	5
63991	Hydrogen_Bond_Acceptor_Count	5
3842125	Isotope_Atom_Count	0
135566455	Hydrogen_Bond_Acceptor_Count	7
40466862	Isotope_Atom_Count	0
66426486	Non-hydrogen_Atom_Count	8
18712663	Hydrogen_Bond_Donor_Count	1
547676	Mono_Isotopic_Weight	102.104465066
3830	Isotope_Atom_Count	0
6917663	Structure_Complexity	268
13267937	TPSA	96.2
67578175	Defined_Bond_Stereo_Count	0
7156899	Molecular_Weight	342.30
8266	Undefined_Atom_Stereo_Count	4
59516092	Hydrogen_Bond_Donor_Count	2
77676	Rotatable_Bond_Count	3
672	Molecular_Weight	326.31
73889	Structure_Complexity	397
15980838	Total_Formal_Charge	0
25124826	Molecular_Weight	444.5
2471	Mono_Isotopic_Weight	364.10929292
13190463	Total_Formal_Charge	0
69578	Molecular_Weight	94.03
34481	Mono_Isotopic_Weight	292.08479225
83635304	Undefined_Bond_Stereo_Count	0
60759	Molecular_Weight	267.32
6371710	Isotope_Atom_Count	0
2804680	Mono_Isotopic_Weight	283.0211625
219401	Hydrogen_Bond_Acceptor_Count	2
20979505	Defined_Atom_Stereo_Count	0
79076	Undefined_Atom_Stereo_Count	1
5282165	Tautomer_Count	4
12888377	Hydrogen_Bond_Donor_Count	0
123603692	Hydrogen_Bond_Acceptor_Count	1
281478	Mono_Isotopic_Weight	84.057514874
21041051	Undefined_Atom_Stereo_Count	0
5460029	Hydrogen_Bond_Donor_Count	4
102131130	Hydrogen_Bond_Donor_Count	1
5283213	XLogP3	2.8
10966200	Undefined_Bond_Stereo_Count	0
6604605	Undefined_Atom_Stereo_Count	0
6604909	Defined_Bond_Stereo_Count	0
611162	Defined_Bond_Stereo_Count	0
45168044	XLogP3-AA	4.4
91214254	Covalent_Unit_Count	1
25128834	XLogP3-AA	1.4
5288573	Mono_Isotopic_Weight	220.07355886
1072	Hydrogen_Bond_Donor_Count	5
24946802	Undefined_Atom_Stereo_Count	0
6597	Non-hydrogen_Atom_Count	6
15797	Undefined_Atom_Stereo_Count	0
6438376	TPSA	135
92443	TPSA	75.6
5460467	Exact_Mass	9.0121831
54015928	Exact_Mass	97.052763847
4756	Molecular_Weight	213.24
441276	Undefined_Bond_Stereo_Count	0
12002774	Total_Formal_Charge	0
9925	Non-hydrogen_Atom_Count	22
71530	Molecular_Weight	333.24
46780289	Covalent_Unit_Count	1
28768	Undefined_Atom_Stereo_Count	0
74141	Hydrogen_Bond_Acceptor_Count	3
57820	TPSA	66
42552662	Non-hydrogen_Atom_Count	23
131876601	Molecular_Weight	843.1
14795102	TPSA	40.5
423792	Defined_Atom_Stereo_Count	0
4927	Exact_Mass	284.13471982
529267	Defined_Bond_Stereo_Count	0
143047391	Undefined_Bond_Stereo_Count	0
6419707	Non-hydrogen_Atom_Count	22
14782	Total_Formal_Charge	0
81079	Hydrogen_Bond_Donor_Count	0
549701	Rotatable_Bond_Count	0
443732	Mono_Isotopic_Weight	71.073499291
329061	Structure_Complexity	72.8
252325	Structure_Complexity	86.2
15432	Exact_Mass	391.19546489
157849	Covalent_Unit_Count	1
13264589	Total_Formal_Charge	0
125440	Mono_Isotopic_Weight	225.078978594
2157	Tautomer_Count	1
146646427	Hydrogen_Bond_Donor_Count	3
71312086	Total_Formal_Charge	0
62328	TPSA	26.3
60618	Structure_Complexity	504
54585640	Hydrogen_Bond_Donor_Count	1
12284127	Mono_Isotopic_Weight	116.083729621
521486	Covalent_Unit_Count	1
447021	Molecular_Weight	339.4
70119	Undefined_Bond_Stereo_Count	0
62238	Total_Formal_Charge	0
93193	Defined_Bond_Stereo_Count	0
73852	Non-hydrogen_Atom_Count	17
573117	Structure_Complexity	94.4
5392	Molecular_Weight	466.5
75471	Molecular_Weight	157.25
23622962	Isotope_Atom_Count	0
13529145	Hydrogen_Bond_Acceptor_Count	1
3254	Mono_Isotopic_Weight	708.37209184
72385	Molecular_Weight	616.8
74454	Isotope_Atom_Count	0
12315	Exact_Mass	73.089149355
57227	Mono_Isotopic_Weight	250.191937398
12663409	Hydrogen_Bond_Acceptor_Count	0
21221940	Total_Formal_Charge	0
12676	Mono_Isotopic_Weight	191.93976
6976	Isotope_Atom_Count	0
10075424	Mono_Isotopic_Weight	522.13378872
97886	Structure_Complexity	238
24671	Defined_Bond_Stereo_Count	0
54676840	Hydrogen_Bond_Acceptor_Count	4
134056	Rotatable_Bond_Count	7
81093	Undefined_Atom_Stereo_Count	0
14897272	Total_Formal_Charge	0
27914	Undefined_Bond_Stereo_Count	0
4978	TPSA	176
76225552	Hydrogen_Bond_Acceptor_Count	2
2734227	Total_Formal_Charge	0
102358067	Hydrogen_Bond_Donor_Count	0
118855590	Hydrogen_Bond_Acceptor_Count	3
91434	Hydrogen_Bond_Donor_Count	4
37933	Defined_Atom_Stereo_Count	2
6993773	Mono_Isotopic_Weight	135.104799419
79126	TPSA	40.5
49787020	Hydrogen_Bond_Acceptor_Count	17
19952	Covalent_Unit_Count	1
154109449	Hydrogen_Bond_Donor_Count	1
5308	XLogP3-AA	3.1
9797798	Mono_Isotopic_Weight	335.07040306
60160561	Undefined_Bond_Stereo_Count	0
4246	Rotatable_Bond_Count	0
34870	Covalent_Unit_Count	1
5182526	Hydrogen_Bond_Donor_Count	0
97289	Defined_Bond_Stereo_Count	0
22858512	Exact_Mass	121.917853
6473973	Covalent_Unit_Count	1
15576	Mono_Isotopic_Weight	571.7591
12329	Defined_Atom_Stereo_Count	0
12068	TPSA	118
79128	XLogP3-AA	2.3
2215	Rotatable_Bond_Count	0
24762228	Total_Formal_Charge	0
21698764	Hydrogen_Bond_Donor_Count	1
61199	Defined_Bond_Stereo_Count	0
21947198	Mono_Isotopic_Weight	195.06604493
76767	Covalent_Unit_Count	1
9147	Non-hydrogen_Atom_Count	15
10946	Hydrogen_Bond_Acceptor_Count	3
4743	Defined_Bond_Stereo_Count	0
69240	Hydrogen_Bond_Donor_Count	0
153380590	Defined_Bond_Stereo_Count	0
53315103	Undefined_Bond_Stereo_Count	0
24257	Rotatable_Bond_Count	6
4076	Defined_Atom_Stereo_Count	0
49867936	Hydrogen_Bond_Acceptor_Count	9
905	Hydrogen_Bond_Donor_Count	2
5487888	Defined_Atom_Stereo_Count	2
13601742	Non-hydrogen_Atom_Count	8
117479	Covalent_Unit_Count	1
56340	Non-hydrogen_Atom_Count	20
71593	Molecular_Weight	149.15
7348	Defined_Atom_Stereo_Count	0
53364498	Covalent_Unit_Count	1
9806615	TPSA	205
69315	Exact_Mass	290.130679813
18719616	Mono_Isotopic_Weight	97.016378338
3614551	Isotope_Atom_Count	0
3016390	Hydrogen_Bond_Donor_Count	2
59221	Hydrogen_Bond_Acceptor_Count	1
14862984	Undefined_Bond_Stereo_Count	0
73835	Structure_Complexity	117
2307	Hydrogen_Bond_Acceptor_Count	7
11979418	Defined_Atom_Stereo_Count	13
10778228	Hydrogen_Bond_Donor_Count	3
25386	Exact_Mass	317.1546421
97815	Rotatable_Bond_Count	2
77342	Defined_Bond_Stereo_Count	0
245	Hydrogen_Bond_Acceptor_Count	11
12682028	Hydrogen_Bond_Donor_Count	2
55284122	TPSA	35.2
36688135	Defined_Bond_Stereo_Count	0
72959169	Rotatable_Bond_Count	9
111332	Exact_Mass	386.20932405
16698	Structure_Complexity	305
90613	Mono_Isotopic_Weight	247.12398469
19787479	Molecular_Weight	82.10
1368742	Total_Formal_Charge	0
10035228	Molecular_Weight	181.15
9854073	XLogP3	2.7
88771	Hydrogen_Bond_Donor_Count	0
13087266	Hydrogen_Bond_Acceptor_Count	1
7047	Hydrogen_Bond_Donor_Count	0
88063521	Non-hydrogen_Atom_Count	8
22382373	Defined_Atom_Stereo_Count	0
40230	Molecular_Weight	203.24
15106	Total_Formal_Charge	0
3763	Isotope_Atom_Count	0
8197	Exact_Mass	189.19534575
814152	TPSA	88.6
1638753	Molecular_Weight	180.23
59281403	XLogP3-AA	2.9
11560414	Hydrogen_Bond_Acceptor_Count	9
11956149	Exact_Mass	185.0607417
54738	Defined_Bond_Stereo_Count	0
8419	XLogP3	1.5
161562	Hydrogen_Bond_Donor_Count	0
13613	Hydrogen_Bond_Acceptor_Count	3
5289162	Hydrogen_Bond_Acceptor_Count	6
40666	Structure_Complexity	299
16131097	Isotope_Atom_Count	0
91469	Defined_Bond_Stereo_Count	0
23205	Exact_Mass	262.12050905
1491	Defined_Atom_Stereo_Count	0
16097729	Defined_Atom_Stereo_Count	0
129636415	Molecular_Weight	492.6
12047567	Exact_Mass	1150.44734
10709065	Covalent_Unit_Count	1
71137	Undefined_Bond_Stereo_Count	0
6950286	Covalent_Unit_Count	1
5311447	Isotope_Atom_Count	0
14340	Exact_Mass	196.07355886
13810472	Hydrogen_Bond_Acceptor_Count	1
11463807	Defined_Bond_Stereo_Count	0
9798038	Non-hydrogen_Atom_Count	25
29971	Structure_Complexity	62.7
10661	Rotatable_Bond_Count	0
224392	Hydrogen_Bond_Donor_Count	1
54581904	TPSA	34.2
10185917	Non-hydrogen_Atom_Count	35
62852	Isotope_Atom_Count	0
75184787	Undefined_Atom_Stereo_Count	1
11639859	Hydrogen_Bond_Donor_Count	1
61670	Defined_Atom_Stereo_Count	0
568783	Isotope_Atom_Count	0
69912	Covalent_Unit_Count	1
73148	Non-hydrogen_Atom_Count	77
23525700	Hydrogen_Bond_Donor_Count	1
3781988	Hydrogen_Bond_Donor_Count	0
5942099	Undefined_Bond_Stereo_Count	0
11169	Exact_Mass	296.07516538
227541	Total_Formal_Charge	0
16735405	Rotatable_Bond_Count	12
62332	Isotope_Atom_Count	0
92210	Rotatable_Bond_Count	1
50878597	Hydrogen_Bond_Acceptor_Count	3
436515	Covalent_Unit_Count	1
27402	Tautomer_Count	1
123804812	Mono_Isotopic_Weight	94.078250319
11558904	Molecular_Weight	326.4
10230	Structure_Complexity	167
3446	Undefined_Atom_Stereo_Count	0
2762838	Tautomer_Count	1
7192	Tautomer_Count	2
83904778	Undefined_Atom_Stereo_Count	0
14029616	Molecular_Weight	168.28
130025113	Defined_Bond_Stereo_Count	0
852452	Rotatable_Bond_Count	2
24096961	Defined_Bond_Stereo_Count	0
60196391	Exact_Mass	295.09245548
1548968	Hydrogen_Bond_Donor_Count	1
53708664	Defined_Atom_Stereo_Count	0
11717074	Isotope_Atom_Count	0
698364	Covalent_Unit_Count	1
65763	Defined_Bond_Stereo_Count	0
446727	Isotope_Atom_Count	0
5282484	Undefined_Atom_Stereo_Count	0
12398272	Total_Formal_Charge	0
129791	Hydrogen_Bond_Acceptor_Count	5
3497012	Rotatable_Bond_Count	2
743492	Defined_Atom_Stereo_Count	0
59903796	Total_Formal_Charge	0
15475335	Molecular_Weight	112.13
854150	Undefined_Atom_Stereo_Count	0
10018576	Mono_Isotopic_Weight	315.13313942
543995	Exact_Mass	114.068079557
7098663	Non-hydrogen_Atom_Count	12
201749	Mono_Isotopic_Weight	266.16304257
4441	TPSA	225
22065216	Molecular_Weight	83.05
989	Hydrogen_Bond_Acceptor_Count	3
20727813	Mono_Isotopic_Weight	80.062600255
129027658	XLogP3-AA	1.4
57517	Isotope_Atom_Count	0
19789137	Rotatable_Bond_Count	1
86736	Undefined_Bond_Stereo_Count	0
68591	Undefined_Atom_Stereo_Count	0
12082259	Covalent_Unit_Count	1
9570093	Rotatable_Bond_Count	4
68510675	Non-hydrogen_Atom_Count	16
19065601	Molecular_Weight	248.17
42633	Exact_Mass	467.28830265
600269	Isotope_Atom_Count	0
398731	Defined_Bond_Stereo_Count	0
8764	Rotatable_Bond_Count	2
153835411	Isotope_Atom_Count	0
8383	Hydrogen_Bond_Donor_Count	0
133687818	Isotope_Atom_Count	0
53954226	Rotatable_Bond_Count	0
71716733	TPSA	33.2
21482444	Non-hydrogen_Atom_Count	8
12647544	Covalent_Unit_Count	1
512984	Exact_Mass	248.00780523
65478	Defined_Bond_Stereo_Count	0
3625248	TPSA	106
123377064	Rotatable_Bond_Count	0
57458936	Defined_Bond_Stereo_Count	0
4040	Molecular_Weight	135.19
12571	Hydrogen_Bond_Donor_Count	0
140523	Structure_Complexity	194
118733511	Rotatable_Bond_Count	4
53699711	Molecular_Weight	114.10
29742	Covalent_Unit_Count	1
155340720	Undefined_Atom_Stereo_Count	2
2641	Isotope_Atom_Count	0
431630	Defined_Bond_Stereo_Count	0
4075158	Structure_Complexity	149
11137	Defined_Atom_Stereo_Count	0
54760133	Undefined_Bond_Stereo_Count	0
44630251	Total_Formal_Charge	0
10360656	Hydrogen_Bond_Donor_Count	1
4353	Isotope_Atom_Count	0
182429	Total_Formal_Charge	0
71457293	Covalent_Unit_Count	1
9956726	TPSA	117
5362440	XLogP3-AA	2.8
6433197	Molecular_Weight	518.5
10754	Non-hydrogen_Atom_Count	16
11815817	Undefined_Atom_Stereo_Count	0
23665411	Tautomer_Count	15
79324217	Total_Formal_Charge	0
12882458	Hydrogen_Bond_Acceptor_Count	1
84647610	Covalent_Unit_Count	1
34698	Mono_Isotopic_Weight	656.15636224
5311070	Exact_Mass	267.125928785
189562	Covalent_Unit_Count	1
12732836	Hydrogen_Bond_Acceptor_Count	1
43454	Non-hydrogen_Atom_Count	19
5368076	Mono_Isotopic_Weight	170.130679813
40473182	Defined_Bond_Stereo_Count	0
5357402	Structure_Complexity	202
7929	Rotatable_Bond_Count	0
70291	Structure_Complexity	293
68205	Mono_Isotopic_Weight	334.08412354
11768503	TPSA	9.2
7483	XLogP3	2
90617	Undefined_Atom_Stereo_Count	0
75588	Undefined_Bond_Stereo_Count	0
7837	Hydrogen_Bond_Acceptor_Count	3
3939	Total_Formal_Charge	0
248934	Isotope_Atom_Count	0
12529691	Undefined_Atom_Stereo_Count	0
8661	Hydrogen_Bond_Donor_Count	2
59221	Mono_Isotopic_Weight	367.15108
70693142	Molecular_Weight	292.33
8381	XLogP3-AA	3.3
16051951	Undefined_Atom_Stereo_Count	0
54054905	Total_Formal_Charge	0
98458	Total_Formal_Charge	0
53856389	Defined_Atom_Stereo_Count	0
25102937	TPSA	153
65432	Defined_Bond_Stereo_Count	0
78414	XLogP3-AA	1
71356	Defined_Bond_Stereo_Count	0
11518211	Structure_Complexity	699
5371102	Undefined_Bond_Stereo_Count	0
9281	Non-hydrogen_Atom_Count	58
18743	Undefined_Atom_Stereo_Count	0
167845	Mono_Isotopic_Weight	223.93009
216992	Molecular_Weight	284.4
52940827	Hydrogen_Bond_Acceptor_Count	5
7043949	Molecular_Weight	162.19
659218	Structure_Complexity	315
8222	Undefined_Atom_Stereo_Count	0
19077501	Defined_Atom_Stereo_Count	0
46861540	Mono_Isotopic_Weight	459.090805
4942	Isotope_Atom_Count	0
159755	Rotatable_Bond_Count	3
46173802	Undefined_Atom_Stereo_Count	0
10309028	Defined_Atom_Stereo_Count	0
135983	Total_Formal_Charge	0
21635253	XLogP3-AA	0.2
71311215	Non-hydrogen_Atom_Count	24
61868	Isotope_Atom_Count	0
9033	Molecular_Weight	43.07
35364	TPSA	0
8711	Defined_Atom_Stereo_Count	0
5323977	Structure_Complexity	152
12259685	Rotatable_Bond_Count	2
16743818	Hydrogen_Bond_Acceptor_Count	2
19784166	Total_Formal_Charge	0
148931547	Exact_Mass	1201.84136802
271553	Hydrogen_Bond_Acceptor_Count	0
10206604	Non-hydrogen_Atom_Count	35
27531	Tautomer_Count	4
417349	Non-hydrogen_Atom_Count	18
71800	Isotope_Atom_Count	1
40666	TPSA	23.5
121233058	Defined_Bond_Stereo_Count	0
996610	XLogP3-AA	3.4
178134	Rotatable_Bond_Count	4
72207931	Undefined_Atom_Stereo_Count	1
18198	Hydrogen_Bond_Acceptor_Count	2
156432753	Isotope_Atom_Count	0
10809678	Isotope_Atom_Count	0
278711	Isotope_Atom_Count	0
16119086	TPSA	32.3
8550	Exact_Mass	578.26281617
145454105	TPSA	193
37888454	TPSA	107
6918558	Undefined_Bond_Stereo_Count	0
56910	Undefined_Bond_Stereo_Count	0
11535547	Mono_Isotopic_Weight	98.036779430
21930924	Mono_Isotopic_Weight	370.02294
519186	Tautomer_Count	1
17963347	Rotatable_Bond_Count	5
18680274	Defined_Atom_Stereo_Count	0
16217526	Defined_Bond_Stereo_Count	0
1549000	Mono_Isotopic_Weight	388.1553704
135564632	Hydrogen_Bond_Acceptor_Count	4
20839605	Defined_Atom_Stereo_Count	0
13034936	Hydrogen_Bond_Donor_Count	1
68015385	Rotatable_Bond_Count	4
12302695	Hydrogen_Bond_Donor_Count	8
66448	Isotope_Atom_Count	0
10240797	Structure_Complexity	88.5
6604365	XLogP3	2.6
57780676	Defined_Bond_Stereo_Count	0
100156	Molecular_Weight	346.29
140719461	TPSA	21.6
6930	Undefined_Atom_Stereo_Count	0
1142	Undefined_Atom_Stereo_Count	5
159325	Undefined_Atom_Stereo_Count	0
25021359	TPSA	219
501728	TPSA	235
23687810	Tautomer_Count	1
164748	Exact_Mass	155.9909149
4595	Rotatable_Bond_Count	2
4668904	Undefined_Bond_Stereo_Count	0
131204	TPSA	89.8
76654	Rotatable_Bond_Count	4
122449120	Molecular_Weight	100.12
19354	Tautomer_Count	1
6440871	XLogP3-AA	1.6
30072	Undefined_Atom_Stereo_Count	4
159652940	Undefined_Atom_Stereo_Count	0
59736263	Hydrogen_Bond_Acceptor_Count	2
3567233	TPSA	26
23662384	Covalent_Unit_Count	3
312145	Non-hydrogen_Atom_Count	31
5459845	Structure_Complexity	191
36314	TPSA	221
131750798	Molecular_Weight	494.4
141543352	Hydrogen_Bond_Acceptor_Count	1
122384816	Rotatable_Bond_Count	24
17991084	TPSA	64.9
2998624	Undefined_Atom_Stereo_Count	1
22385729	Defined_Bond_Stereo_Count	0
70698172	Structure_Complexity	499
40903	Structure_Complexity	763
89445694	TPSA	17.1
72941505	Rotatable_Bond_Count	7
20438510	Exact_Mass	98.084398327
3005572	Hydrogen_Bond_Acceptor_Count	9
5124249	Molecular_Weight	220.27
60196333	Tautomer_Count	1
84506	Exact_Mass	234.06405680
25184868	Molecular_Weight	154.25
135903069	Mono_Isotopic_Weight	891.01310344
93130	Defined_Bond_Stereo_Count	0
70440	Covalent_Unit_Count	1
283	Tautomer_Count	1
90827926	TPSA	9.2
135458645	Molecular_Weight	847.0
18798586	Exact_Mass	112.125200510
14612499	Non-hydrogen_Atom_Count	7
444294	Undefined_Atom_Stereo_Count	0
15513	Exact_Mass	180.04225873
123494194	Total_Formal_Charge	0
9809	Total_Formal_Charge	0
6518168	Mono_Isotopic_Weight	1134.3697639
139192	Isotope_Atom_Count	0
66414	TPSA	49.7
85178	Defined_Bond_Stereo_Count	0
101606430	TPSA	32.3
7172302	Defined_Bond_Stereo_Count	0
10148984	Hydrogen_Bond_Donor_Count	2
18726556	Exact_Mass	116.047344113
16993	Undefined_Atom_Stereo_Count	1
5275508	Structure_Complexity	342
659218	TPSA	80.7
518964	Covalent_Unit_Count	1
9803119	Undefined_Bond_Stereo_Count	0
18470	Hydrogen_Bond_Acceptor_Count	0
131634423	Molecular_Weight	395.3
21152819	Undefined_Atom_Stereo_Count	2
11774	Molecular_Weight	440.3
59295925	Defined_Atom_Stereo_Count	1
198576	Structure_Complexity	443
21885	XLogP3	1.6
13268340	Mono_Isotopic_Weight	112.063662883
4098	Hydrogen_Bond_Acceptor_Count	4
12086	Defined_Bond_Stereo_Count	0
8878	Structure_Complexity	130
71457269	Hydrogen_Bond_Acceptor_Count	6
10963	Structure_Complexity	51.2
16683704	Hydrogen_Bond_Donor_Count	1
925253	Covalent_Unit_Count	1
630348	Mono_Isotopic_Weight	330.98441
12298	Defined_Bond_Stereo_Count	0
11263471	Structure_Complexity	131
834146	Rotatable_Bond_Count	1
10627323	TPSA	105
5284518	Exact_Mass	348.23727013
10329273	Non-hydrogen_Atom_Count	8
24978601	Total_Formal_Charge	0
16051933	Hydrogen_Bond_Acceptor_Count	15
44560806	Molecular_Weight	348.4
3732019	Undefined_Bond_Stereo_Count	0
7013	Hydrogen_Bond_Acceptor_Count	1
14946164	Defined_Bond_Stereo_Count	0
12939	Undefined_Bond_Stereo_Count	0
72257	Defined_Bond_Stereo_Count	0
47552	Hydrogen_Bond_Donor_Count	0
22661080	Exact_Mass	112.063662883
49692	Molecular_Weight	379.4
5353646	Mono_Isotopic_Weight	230.0126017
102372243	Mono_Isotopic_Weight	416.32904526
71778	Hydrogen_Bond_Donor_Count	1
11693901	Rotatable_Bond_Count	0
53232849	Structure_Complexity	96.3
5357580	Defined_Bond_Stereo_Count	2
10672195	Exact_Mass	474.28038099
135935707	Structure_Complexity	276
70002683	Non-hydrogen_Atom_Count	7
38359009	Covalent_Unit_Count	1
92943	Covalent_Unit_Count	1
941361	Exact_Mass	404.20640516
13925600	TPSA	20.2
11309506	Mono_Isotopic_Weight	86.084398327
89578803	Undefined_Atom_Stereo_Count	3
398739	Non-hydrogen_Atom_Count	19
114809	Mono_Isotopic_Weight	205.85370
9971980	Total_Formal_Charge	0
31191	Hydrogen_Bond_Donor_Count	1
3799953	Mono_Isotopic_Weight	78.03774543
135455401	Isotope_Atom_Count	0
574489	Defined_Atom_Stereo_Count	0
123334	Molecular_Weight	36.006
22091031	Covalent_Unit_Count	1
155143	TPSA	43.4
66913	Total_Formal_Charge	0
11480819	TPSA	110
88239551	Exact_Mass	107.037113783
91708	Total_Formal_Charge	0
44341259	Defined_Bond_Stereo_Count	0
441382	Isotope_Atom_Count	0
66679	Non-hydrogen_Atom_Count	12
99858	Exact_Mass	264.11100700
91612585	Undefined_Bond_Stereo_Count	0
129847313	Mono_Isotopic_Weight	381.19400834
53249491	Molecular_Weight	185.2
104741	Hydrogen_Bond_Acceptor_Count	9
68850055	XLogP3-AA	1.9
69684	Exact_Mass	142.110613074
32249	Defined_Atom_Stereo_Count	0
21893333	Undefined_Atom_Stereo_Count	2
7560	Covalent_Unit_Count	1
15482356	Non-hydrogen_Atom_Count	8
12262506	Exact_Mass	195.125928785
20449	Undefined_Bond_Stereo_Count	0
284995	Undefined_Bond_Stereo_Count	0
4206	Defined_Bond_Stereo_Count	0
9983292	Undefined_Bond_Stereo_Count	0
91753	Isotope_Atom_Count	0
76048	Isotope_Atom_Count	0
53687318	Hydrogen_Bond_Donor_Count	3
55285553	Covalent_Unit_Count	1
135413538	Molecular_Weight	614.4
60196430	Hydrogen_Bond_Donor_Count	0
599202	Undefined_Atom_Stereo_Count	0
434207	XLogP3-AA	3.4
60745	Hydrogen_Bond_Donor_Count	0
636398	Defined_Bond_Stereo_Count	0
47721	Exact_Mass	274.172150702
44419240	Exact_Mass	341.11979803
18950548	Covalent_Unit_Count	1
151896	Rotatable_Bond_Count	6
17898	Undefined_Atom_Stereo_Count	0
155290	Covalent_Unit_Count	2
20638786	Defined_Bond_Stereo_Count	0
44456859	Covalent_Unit_Count	1
95431	Covalent_Unit_Count	1
219104	Structure_Complexity	111
1548994	Non-hydrogen_Atom_Count	35
118209567	Covalent_Unit_Count	1
14816327	TPSA	21.6
410914	XLogP3-AA	3.5
15566577	XLogP3-AA	0
76336793	Structure_Complexity	756
139291730	Undefined_Bond_Stereo_Count	0
16132954	Covalent_Unit_Count	1
130664213	Total_Formal_Charge	0
129638348	Rotatable_Bond_Count	0
54584775	Non-hydrogen_Atom_Count	21
150718	Rotatable_Bond_Count	2
29878	Molecular_Weight	183.23
5424	Hydrogen_Bond_Acceptor_Count	6
76196	Hydrogen_Bond_Donor_Count	2
25142042	Undefined_Atom_Stereo_Count	0
31357	Mono_Isotopic_Weight	266.16469634
13804280	Isotope_Atom_Count	0
3082052	Undefined_Bond_Stereo_Count	0
124525065	Rotatable_Bond_Count	0
644131	Covalent_Unit_Count	1
72155	Isotope_Atom_Count	0
21666609	Mono_Isotopic_Weight	99.068413911
9860946	Structure_Complexity	414
73566	Rotatable_Bond_Count	5
10855394	Non-hydrogen_Atom_Count	7
61393223	Mono_Isotopic_Weight	112.063662883
5976	Exact_Mass	60.068748264
44144474	Hydrogen_Bond_Acceptor_Count	7
440560	Rotatable_Bond_Count	5
97341	Defined_Bond_Stereo_Count	0
139113917	Hydrogen_Bond_Acceptor_Count	12
60196386	Covalent_Unit_Count	2
636371	Molecular_Weight	372.24
10434	Non-hydrogen_Atom_Count	8
161729	Total_Formal_Charge	0
5478927	TPSA	121
11542	Exact_Mass	100.125200510
55283	Hydrogen_Bond_Acceptor_Count	9
159968	Defined_Atom_Stereo_Count	0
10444413	Undefined_Atom_Stereo_Count	0
650625	Mono_Isotopic_Weight	268.06480570
91586	Molecular_Weight	97.12
7553	XLogP3-AA	0.4
44571221	Structure_Complexity	570
149755	Total_Formal_Charge	0
85960	Rotatable_Bond_Count	11
68986	Non-hydrogen_Atom_Count	6
45257	Molecular_Weight	291.4
667467	XLogP3	5.2
20488507	Defined_Bond_Stereo_Count	0
71583271	XLogP3-AA	3.5
138076	Covalent_Unit_Count	1
15535737	Non-hydrogen_Atom_Count	8
11178958	Defined_Bond_Stereo_Count	1
24780	Exact_Mass	500.30708103
4453511	Exact_Mass	301.9973455
40703	Hydrogen_Bond_Donor_Count	0
259577	Covalent_Unit_Count	1
30295	Rotatable_Bond_Count	9
38085	Structure_Complexity	306
17457	Structure_Complexity	374
5281394	TPSA	200
150736	Molecular_Weight	204.18
14693963	Defined_Atom_Stereo_Count	0
2546	Covalent_Unit_Count	1
15928	Exact_Mass	108.081324323
57402652	Exact_Mass	349.0339557
4108	Covalent_Unit_Count	1
101742	XLogP3-AA	4.3
6437841	Molecular_Weight	326.4
136257950	TPSA	209
90567	Hydrogen_Bond_Acceptor_Count	1
147522	Exact_Mass	80.05019218
4736	TPSA	23.5
49865355	Undefined_Atom_Stereo_Count	0
1293762	Undefined_Bond_Stereo_Count	0
59761113	Isotope_Atom_Count	0
6566	Hydrogen_Bond_Acceptor_Count	1
10076625	Rotatable_Bond_Count	10
519	Rotatable_Bond_Count	7
11257	Non-hydrogen_Atom_Count	20
77259647	Covalent_Unit_Count	1
159952	Structure_Complexity	196
5224206	Hydrogen_Bond_Donor_Count	0
74570	Total_Formal_Charge	0
77596	Molecular_Weight	100.12
14612499	Undefined_Atom_Stereo_Count	2
71222	Hydrogen_Bond_Acceptor_Count	6
117072582	Molecular_Weight	358.5
13359	TPSA	53.3
44571224	Hydrogen_Bond_Acceptor_Count	8
23466227	Total_Formal_Charge	0
14741640	Undefined_Bond_Stereo_Count	0
216454	Tautomer_Count	2
12959090	Hydrogen_Bond_Acceptor_Count	2
13612132	Non-hydrogen_Atom_Count	8
25111945	Covalent_Unit_Count	1
5708528	Rotatable_Bond_Count	0
11073351	Undefined_Bond_Stereo_Count	0
9388	TPSA	42.5
15817734	TPSA	34.5
134129158	Molecular_Weight	338.22
93884	Undefined_Atom_Stereo_Count	0
74791	Tautomer_Count	1
5282227	Isotope_Atom_Count	0
59660022	Hydrogen_Bond_Donor_Count	1
5736	Mono_Isotopic_Weight	331.0797631
10017019	Exact_Mass	288.00106
12110098	Rotatable_Bond_Count	2
3821	Undefined_Bond_Stereo_Count	0
54479104	Defined_Atom_Stereo_Count	0
57915	Structure_Complexity	279
225	Hydrogen_Bond_Acceptor_Count	2
131634907	Isotope_Atom_Count	0
216295	Covalent_Unit_Count	1
72665	Molecular_Weight	424.4
15394	Hydrogen_Bond_Acceptor_Count	1
11701820	Defined_Atom_Stereo_Count	0
307877	Defined_Atom_Stereo_Count	0
11537871	Exact_Mass	364.20115941
563	Isotope_Atom_Count	0
13727	Molecular_Weight	279.8
153807932	Undefined_Bond_Stereo_Count	0
1233	Defined_Bond_Stereo_Count	0
44143311	Structure_Complexity	576
10066275	Rotatable_Bond_Count	3
70124	Undefined_Atom_Stereo_Count	1
15122	Rotatable_Bond_Count	2
107927	TPSA	78.8
5801	Hydrogen_Bond_Acceptor_Count	2
24871329	Covalent_Unit_Count	10
3082518	Defined_Atom_Stereo_Count	4
11669987	Total_Formal_Charge	0
96917	Rotatable_Bond_Count	0
656557	TPSA	236
9238	Defined_Atom_Stereo_Count	0
16170	Covalent_Unit_Count	1
79919	Covalent_Unit_Count	1
45380791	Defined_Atom_Stereo_Count	0
142210	Rotatable_Bond_Count	0
60196332	Defined_Atom_Stereo_Count	1
644113	Molecular_Weight	363.2
290	Hydrogen_Bond_Donor_Count	6
612055	Isotope_Atom_Count	0
68128	Defined_Bond_Stereo_Count	0
10931381	Defined_Atom_Stereo_Count	0
122522140	Non-hydrogen_Atom_Count	12
13400658	Molecular_Weight	87.12
60196291	Undefined_Atom_Stereo_Count	0
10297818	Structure_Complexity	552
3342768	Defined_Atom_Stereo_Count	0
10455790	Structure_Complexity	818
91433828	XLogP3-AA	4
13874664	Structure_Complexity	93.8
440946	Hydrogen_Bond_Donor_Count	11
17898580	Non-hydrogen_Atom_Count	7
13337173	Exact_Mass	112.088815002
29746	Exact_Mass	182.167065321
44134877	Total_Formal_Charge	0
961192	Total_Formal_Charge	0
27295	Undefined_Atom_Stereo_Count	0
75644	Rotatable_Bond_Count	1
9861	TPSA	20.2
945	Isotope_Atom_Count	0
21778241	Covalent_Unit_Count	1
23663959	Isotope_Atom_Count	0
798	TPSA	15.8
23189	Structure_Complexity	257
20231751	Covalent_Unit_Count	1
107694	Exact_Mass	712.3530671
208836	Non-hydrogen_Atom_Count	28
403661	Defined_Atom_Stereo_Count	0
7673	TPSA	44.4
16008685	Molecular_Weight	353.4
69288	Isotope_Atom_Count	0
285033	Defined_Atom_Stereo_Count	4
163156	Total_Formal_Charge	0
936	Exact_Mass	122.048012819
87279973	Exact_Mass	111.032028402
213043	Rotatable_Bond_Count	5
93738	Total_Formal_Charge	0
36513	Total_Formal_Charge	0
6490	XLogP3-AA	3.1
16050553	TPSA	67.9
83167	Structure_Complexity	299
41088	Exact_Mass	162.125594432
3047810	Non-hydrogen_Atom_Count	31
18719616	Covalent_Unit_Count	1
5460389	Undefined_Bond_Stereo_Count	0
56734	Exact_Mass	177.05719778
23116322	Molecular_Weight	574.7
2713	XLogP3	0.1
70267	Covalent_Unit_Count	1
6956382	Mono_Isotopic_Weight	377.15013216
13342	Non-hydrogen_Atom_Count	59
66383	Undefined_Bond_Stereo_Count	0
57267838	Hydrogen_Bond_Acceptor_Count	2
10534631	Covalent_Unit_Count	1
41505	Isotope_Atom_Count	0
12594656	Covalent_Unit_Count	1
1266	Undefined_Atom_Stereo_Count	1
11412	Structure_Complexity	40
6917985	Structure_Complexity	409
438	Isotope_Atom_Count	0
753050	Defined_Bond_Stereo_Count	0
34991	Non-hydrogen_Atom_Count	20
11988953	Structure_Complexity	514
21859	Undefined_Bond_Stereo_Count	0
10997120	Total_Formal_Charge	0
90713931	Rotatable_Bond_Count	15
17816	Defined_Bond_Stereo_Count	0
8508	Isotope_Atom_Count	0
6708461	Structure_Complexity	1370
3037936	Undefined_Atom_Stereo_Count	0
13625	Hydrogen_Bond_Donor_Count	1
9253	Structure_Complexity	11.6
5281873	Hydrogen_Bond_Acceptor_Count	7
10486803	Exact_Mass	98.048012819
8510	TPSA	80
90473211	Non-hydrogen_Atom_Count	24
21331354	Defined_Bond_Stereo_Count	0
40466884	Total_Formal_Charge	1
774262	Undefined_Atom_Stereo_Count	0
67326	Undefined_Atom_Stereo_Count	0
10217	Defined_Atom_Stereo_Count	0
5536	Mono_Isotopic_Weight	310.14163842
439246	Isotope_Atom_Count	0
578771	Undefined_Bond_Stereo_Count	0
3489	XLogP3	2.5
83763	Rotatable_Bond_Count	2
9956	Exact_Mass	109.063997236
12580931	Isotope_Atom_Count	0
57202251	Covalent_Unit_Count	1
170759	Defined_Bond_Stereo_Count	0
219224	Rotatable_Bond_Count	3
437085	Non-hydrogen_Atom_Count	22
68704	Covalent_Unit_Count	1
105427064	Defined_Atom_Stereo_Count	0
521348	Structure_Complexity	47.8
76262	Covalent_Unit_Count	1
3058	Defined_Bond_Stereo_Count	0
8270	Undefined_Bond_Stereo_Count	0
23347	Non-hydrogen_Atom_Count	12
2724279	Molecular_Weight	118.13
3383476	Molecular_Weight	465.4
95809	XLogP3-AA	5.5
122672143	TPSA	9.2
132367	Molecular_Weight	232.23
448167	Non-hydrogen_Atom_Count	23
57993933	Undefined_Bond_Stereo_Count	0
124222212	Structure_Complexity	350
23713799	TPSA	90.8
66559017	Molecular_Weight	389.3
70077074	Undefined_Bond_Stereo_Count	0
5280460	Isotope_Atom_Count	0
135406868	Exact_Mass	130.01268994
123208701	Covalent_Unit_Count	1
11363176	Molecular_Weight	461.0
20561716	TPSA	47.8
148201	Total_Formal_Charge	0
91536	Covalent_Unit_Count	1
170359	TPSA	54
42552713	Total_Formal_Charge	0
657298	Mono_Isotopic_Weight	170.05138412
65477	Defined_Bond_Stereo_Count	0
23783	Defined_Atom_Stereo_Count	0
6922967	XLogP3	0.9
2817	Covalent_Unit_Count	1
5372879	TPSA	55
90735699	Undefined_Bond_Stereo_Count	0
5289547	Molecular_Weight	344.5
100380	Defined_Atom_Stereo_Count	0
90488948	Undefined_Atom_Stereo_Count	0
60196302	Isotope_Atom_Count	0
15569631	Undefined_Atom_Stereo_Count	0
25051993	TPSA	53.7
401	Non-hydrogen_Atom_Count	7
433902	Mono_Isotopic_Weight	904.44565070
2723631	Defined_Bond_Stereo_Count	0
2784	Non-hydrogen_Atom_Count	26
2212	Rotatable_Bond_Count	11
63855	Covalent_Unit_Count	1
44208919	Rotatable_Bond_Count	12
129711656	Undefined_Atom_Stereo_Count	0
60196378	Defined_Atom_Stereo_Count	0
6620134	Mono_Isotopic_Weight	445.20015635
5353831	Molecular_Weight	331.5
77996	Covalent_Unit_Count	1
135398570	Defined_Atom_Stereo_Count	4
23696271	Undefined_Bond_Stereo_Count	0
5443	Non-hydrogen_Atom_Count	10
6327846	Defined_Atom_Stereo_Count	0
59018485	Hydrogen_Bond_Acceptor_Count	1
17174	Molecular_Weight	110.11
7359	Total_Formal_Charge	0
153	Hydrogen_Bond_Donor_Count	5
3349	Isotope_Atom_Count	0
69333861	Non-hydrogen_Atom_Count	7
86578	Hydrogen_Bond_Donor_Count	2
2188	Exact_Mass	340.9066861
164610	Total_Formal_Charge	0
85237	Undefined_Atom_Stereo_Count	0
75057	Undefined_Atom_Stereo_Count	0
291703	Defined_Bond_Stereo_Count	0
54584258	Mono_Isotopic_Weight	456.11609
9993	Rotatable_Bond_Count	0
1034	Isotope_Atom_Count	0
44123456	Isotope_Atom_Count	0
162883453	Rotatable_Bond_Count	6
11061	Structure_Complexity	313
97627	Structure_Complexity	398
6100	Undefined_Atom_Stereo_Count	0
91168430	TPSA	38.6
129318280	Isotope_Atom_Count	0
78882	Non-hydrogen_Atom_Count	12
71593	Defined_Atom_Stereo_Count	0
9919265	Undefined_Atom_Stereo_Count	0
129800133	Hydrogen_Bond_Donor_Count	0
54343	Molecular_Weight	353.8
19526	Hydrogen_Bond_Acceptor_Count	2
5958	Covalent_Unit_Count	1
9898279	Isotope_Atom_Count	0
60196346	Structure_Complexity	952
5076	Undefined_Bond_Stereo_Count	0
9765	Rotatable_Bond_Count	5
6387197	Hydrogen_Bond_Donor_Count	0
6293	Undefined_Atom_Stereo_Count	0
85475	Defined_Bond_Stereo_Count	0
10632	Undefined_Bond_Stereo_Count	0
23674889	Hydrogen_Bond_Acceptor_Count	3
8056	Rotatable_Bond_Count	3
46203139	Molecular_Weight	514.4
24211936	Isotope_Atom_Count	0
101365706	Hydrogen_Bond_Acceptor_Count	2
21930930	Molecular_Weight	108.10
126969108	Undefined_Atom_Stereo_Count	10
42827	Defined_Atom_Stereo_Count	0
8	Undefined_Bond_Stereo_Count	0
102019	Isotope_Atom_Count	0
49866692	Mono_Isotopic_Weight	293.1294900
40467085	Hydrogen_Bond_Donor_Count	1
156580566	TPSA	125
562634	XLogP3-AA	3.3
13695806	Non-hydrogen_Atom_Count	8
39094	Total_Formal_Charge	0
11625818	TPSA	99.2
8732	Rotatable_Bond_Count	4
21507	XLogP3-AA	1.3
82418959	Mono_Isotopic_Weight	115.038176411
3769881	Rotatable_Bond_Count	3
261501	Covalent_Unit_Count	2
5481350	Covalent_Unit_Count	1
271553	Hydrogen_Bond_Donor_Count	1
5281915	TPSA	52.6
5809202	Undefined_Atom_Stereo_Count	3
177870	Hydrogen_Bond_Donor_Count	1
1283	Undefined_Bond_Stereo_Count	0
16129706	Covalent_Unit_Count	1
135473834	Hydrogen_Bond_Acceptor_Count	10
15765	Hydrogen_Bond_Donor_Count	1
1474141	Hydrogen_Bond_Acceptor_Count	5
135921797	Hydrogen_Bond_Donor_Count	7
38019	Total_Formal_Charge	0
71310692	Covalent_Unit_Count	1
14307964	Molecular_Weight	102.13
5277135	Rotatable_Bond_Count	7
71453204	Undefined_Bond_Stereo_Count	0
543706	Covalent_Unit_Count	1
8445	Defined_Atom_Stereo_Count	0
21675743	Molecular_Weight	100.16
5611	TPSA	66.4
39859	Structure_Complexity	309
90943273	Hydrogen_Bond_Acceptor_Count	2
39421	Total_Formal_Charge	0
13356397	Hydrogen_Bond_Donor_Count	0
2734168	XLogP3-AA	1.7
11407637	Defined_Atom_Stereo_Count	0
62932	Total_Formal_Charge	0
11979704	Hydrogen_Bond_Donor_Count	0
44407	Exact_Mass	345.03644
139291707	Mono_Isotopic_Weight	1137.4964
28080	Isotope_Atom_Count	0
24199313	Undefined_Bond_Stereo_Count	0
20232381	Undefined_Bond_Stereo_Count	0
14480677	Structure_Complexity	355
5702031	TPSA	46.3
24867465	Hydrogen_Bond_Donor_Count	3
6669	Tautomer_Count	2
10893439	Defined_Bond_Stereo_Count	0
745	Hydrogen_Bond_Acceptor_Count	8
44338773	XLogP3-AA	3.1
6918223	Molecular_Weight	304.73
81936	Undefined_Atom_Stereo_Count	0
24361	XLogP3-AA	2.4
6437731	Hydrogen_Bond_Acceptor_Count	3
7559	Non-hydrogen_Atom_Count	11
49862691	Covalent_Unit_Count	1
1093	Covalent_Unit_Count	1
10126019	Rotatable_Bond_Count	7
71624685	Hydrogen_Bond_Donor_Count	1
2734250	TPSA	74.4
20653386	Undefined_Atom_Stereo_Count	2
10003	Mono_Isotopic_Weight	128.04489933
60824	Molecular_Weight	349.30
145820	Undefined_Atom_Stereo_Count	0
22463839	Exact_Mass	107.073499291
3085023	Molecular_Weight	114.15
21942008	Undefined_Atom_Stereo_Count	0
5329	Rotatable_Bond_Count	3
702695	Hydrogen_Bond_Acceptor_Count	5
129635186	Molecular_Weight	791.5
135981362	Exact_Mass	410.18417193
5282450	Isotope_Atom_Count	0
86134	Undefined_Atom_Stereo_Count	1
519834	Undefined_Bond_Stereo_Count	0
2193	Covalent_Unit_Count	1
2324	Total_Formal_Charge	0
16732312	Molecular_Weight	454.9
12229743	Structure_Complexity	52.8
94973	Undefined_Atom_Stereo_Count	0
20055294	Tautomer_Count	1
11400746	Isotope_Atom_Count	0
52922056	Total_Formal_Charge	0
88332	Undefined_Bond_Stereo_Count	0
6433208	Covalent_Unit_Count	3
129861481	Hydrogen_Bond_Acceptor_Count	2
397	Tautomer_Count	3
22234	Hydrogen_Bond_Donor_Count	2
54285331	Total_Formal_Charge	0
54680675	TPSA	188
11983193	Isotope_Atom_Count	0
168707	Structure_Complexity	489
23465004	XLogP3-AA	0.5
1218	Structure_Complexity	322
101661938	Isotope_Atom_Count	0
11286	Covalent_Unit_Count	1
156614100	Defined_Atom_Stereo_Count	0
45051637	Rotatable_Bond_Count	0
447956	Defined_Bond_Stereo_Count	0
991	Covalent_Unit_Count	1
679386	Exact_Mass	276.05686342
78293	Covalent_Unit_Count	1
76013	Undefined_Atom_Stereo_Count	0
27582	Rotatable_Bond_Count	0
70346812	Defined_Bond_Stereo_Count	0
37865	Undefined_Bond_Stereo_Count	0
304590	Undefined_Atom_Stereo_Count	0
84647611	Exact_Mass	101.084063974
12344797	Non-hydrogen_Atom_Count	8
3603687	XLogP3-AA	1.1
9904	Non-hydrogen_Atom_Count	20
1016	TPSA	130
5155	Non-hydrogen_Atom_Count	16
32765	Mono_Isotopic_Weight	393.89280
10887837	Undefined_Atom_Stereo_Count	0
99049	Molecular_Weight	575.7
141445129	Non-hydrogen_Atom_Count	8
11263492	TPSA	9.2
6433892	Total_Formal_Charge	0
7485	TPSA	55
52943923	Non-hydrogen_Atom_Count	24
14263148	Defined_Bond_Stereo_Count	0
53921527	Defined_Bond_Stereo_Count	0
51886	Hydrogen_Bond_Acceptor_Count	4
57796	Hydrogen_Bond_Donor_Count	2
3366	Non-hydrogen_Atom_Count	9
122356	Molecular_Weight	130.19
20266	Tautomer_Count	4
69497	Exact_Mass	232.05580079
10761920	Defined_Atom_Stereo_Count	0
12661198	Hydrogen_Bond_Acceptor_Count	2
11715766	Undefined_Bond_Stereo_Count	0
67494396	TPSA	79.8
12443367	Isotope_Atom_Count	0
912	Tautomer_Count	2
23496	Exact_Mass	189.87999
10898663	Structure_Complexity	55.7
61017	Tautomer_Count	1
55286286	Hydrogen_Bond_Donor_Count	1
15702065	TPSA	37.3
320459	Isotope_Atom_Count	0
119097554	XLogP3-AA	0.7
89374436	Defined_Atom_Stereo_Count	0
444008	Mono_Isotopic_Weight	312.208930132
91027594	TPSA	0
73415789	Exact_Mass	524.0784474
78027	Defined_Atom_Stereo_Count	0
38668	Rotatable_Bond_Count	3
2759255	Rotatable_Bond_Count	4
6328648	Mono_Isotopic_Weight	141.109952077
514067	Non-hydrogen_Atom_Count	24
12543	Rotatable_Bond_Count	2
84640	Non-hydrogen_Atom_Count	8
71072118	Mono_Isotopic_Weight	508.1695764
9897412	Undefined_Bond_Stereo_Count	0
9833984	Defined_Atom_Stereo_Count	1
347590	TPSA	63.7
6431038	Defined_Atom_Stereo_Count	0
46931057	Rotatable_Bond_Count	17
91657	Hydrogen_Bond_Acceptor_Count	6
46224572	TPSA	81.6
13898	Hydrogen_Bond_Acceptor_Count	2
23934560	XLogP3-AA	2.6
76958691	Undefined_Bond_Stereo_Count	0
46235922	Molecular_Weight	486.6
89187208	Mono_Isotopic_Weight	416.32904526
20157043	Hydrogen_Bond_Acceptor_Count	2
10630456	Mono_Isotopic_Weight	112.063662883
61011	Total_Formal_Charge	0
260707	XLogP3-AA	1.3
71160	TPSA	52.6
105427022	Undefined_Atom_Stereo_Count	0
141315	XLogP3-AA	0.3
137031	Total_Formal_Charge	0
16767478	TPSA	37.8
45085104	Defined_Bond_Stereo_Count	0
58096	Tautomer_Count	2
22020033	Structure_Complexity	137
449331	Exact_Mass	1099.61785045
253602	Mono_Isotopic_Weight	265.13140809
54732242	Defined_Atom_Stereo_Count	4
172296	XLogP3-AA	4.8
45040316	Structure_Complexity	457
96389	Hydrogen_Bond_Donor_Count	1
55142	Exact_Mass	265.110278721
1890	XLogP3-AA	2.5
92131209	Defined_Atom_Stereo_Count	2
3080653	Molecular_Weight	1036.1
11590255	Total_Formal_Charge	0
47675	Tautomer_Count	1
20684386	Covalent_Unit_Count	1
520396	Tautomer_Count	1
6297	Undefined_Atom_Stereo_Count	0
8991	Hydrogen_Bond_Donor_Count	1
24180719	Rotatable_Bond_Count	6
9821849	Total_Formal_Charge	0
25116186	TPSA	114
4407718	Structure_Complexity	1790
1225	Isotope_Atom_Count	0
71455277	Isotope_Atom_Count	0
11576068	Defined_Bond_Stereo_Count	0
52942478	Hydrogen_Bond_Acceptor_Count	6
58877	Tautomer_Count	1
23247721	Undefined_Atom_Stereo_Count	0
6433427	Defined_Atom_Stereo_Count	0
265652	Exact_Mass	106.00885060
57397809	Undefined_Bond_Stereo_Count	0
5743836	Exact_Mass	249.13649347
29025	Mono_Isotopic_Weight	150.104465066
86014	Hydrogen_Bond_Acceptor_Count	0
57473011	XLogP3-AA	3.4
5385074	Molecular_Weight	416.4
59874134	Hydrogen_Bond_Acceptor_Count	1
637921	Defined_Bond_Stereo_Count	1
317677	Covalent_Unit_Count	1
20465494	Undefined_Bond_Stereo_Count	0
47649	Molecular_Weight	160.3
139323923	Hydrogen_Bond_Donor_Count	5
65562	TPSA	259
12248	Covalent_Unit_Count	1
28951015	Undefined_Bond_Stereo_Count	0
5808	Hydrogen_Bond_Acceptor_Count	4
933	Undefined_Bond_Stereo_Count	0
36879	Covalent_Unit_Count	1
289847	TPSA	63.8
53731118	Hydrogen_Bond_Donor_Count	2
4470790	Total_Formal_Charge	0
1328	XLogP3	2.9
7567598	Mono_Isotopic_Weight	100.088815002
12002494	Exact_Mass	454.0866393
115011059	Hydrogen_Bond_Donor_Count	0
11332503	Non-hydrogen_Atom_Count	10
7262	Undefined_Atom_Stereo_Count	0
45356890	Mono_Isotopic_Weight	352.1012268
7597	Isotope_Atom_Count	0
70846	Isotope_Atom_Count	0
46225190	Exact_Mass	277.215412493
13636	Isotope_Atom_Count	0
77171	Exact_Mass	560.18669111
97390	Rotatable_Bond_Count	0
185654	Undefined_Atom_Stereo_Count	0
19426425	Structure_Complexity	32.9
153373905	Hydrogen_Bond_Donor_Count	0
9935274	Structure_Complexity	624
6504	Structure_Complexity	395
92233	Rotatable_Bond_Count	2
98148768	Exact_Mass	342.11621151
44310721	Hydrogen_Bond_Acceptor_Count	5
20056828	Rotatable_Bond_Count	6
3083585	Mono_Isotopic_Weight	176.047344113
328883	TPSA	46.5
13577	Hydrogen_Bond_Acceptor_Count	1
6559	XLogP3	0.5
23565355	Molecular_Weight	100.16
63686	Mono_Isotopic_Weight	517.02418
5568	Rotatable_Bond_Count	4
40463608	Molecular_Weight	115.13
135436542	Total_Formal_Charge	0
11219835	TPSA	76.2
2804	Non-hydrogen_Atom_Count	22
12611534	Hydrogen_Bond_Donor_Count	1
48080	Defined_Atom_Stereo_Count	0
39521	XLogP3-AA	0.6
12408077	Covalent_Unit_Count	1
20262	Total_Formal_Charge	0
737769	Molecular_Weight	324.4
23654	Structure_Complexity	125
537037	Total_Formal_Charge	0
66792573	Molecular_Weight	101.15
45358055	Mono_Isotopic_Weight	840.37930247
69465	Tautomer_Count	1
2724588	Isotope_Atom_Count	0
16129759	Undefined_Atom_Stereo_Count	20
16097729	Non-hydrogen_Atom_Count	38
41211	Molecular_Weight	347.22
40475	Molecular_Weight	395.3
5668	Tautomer_Count	1
70119	Structure_Complexity	77
12743036	XLogP3-AA	0.6
22037858	Exact_Mass	86.011627311
14852477	Defined_Atom_Stereo_Count	0
102102069	Exact_Mass	577.80232
5284648	Rotatable_Bond_Count	1
3415	Undefined_Bond_Stereo_Count	0
177708	Non-hydrogen_Atom_Count	1
78521	Undefined_Bond_Stereo_Count	0
134695353	Covalent_Unit_Count	1
22157803	Total_Formal_Charge	0
19972	Hydrogen_Bond_Donor_Count	2
68135832	Undefined_Bond_Stereo_Count	0
317852	Defined_Atom_Stereo_Count	0
92044408	Defined_Atom_Stereo_Count	13
5102	Molecular_Weight	394.4
20433	Total_Formal_Charge	0
12386877	Isotope_Atom_Count	0
40931	XLogP3-AA	6.7
12468302	TPSA	36.3
187079	Structure_Complexity	687
14286857	Mono_Isotopic_Weight	218.167065321
135582708	Mono_Isotopic_Weight	324.09306551
5363234	XLogP3-AA	12.1
92154	Exact_Mass	189.078978594
19966769	Covalent_Unit_Count	1
7400	Structure_Complexity	211
19068741	Non-hydrogen_Atom_Count	7
91849037	Covalent_Unit_Count	1
69	Total_Formal_Charge	0
54691185	XLogP3-AA	0.9
157568	Non-hydrogen_Atom_Count	7
101630689	Undefined_Atom_Stereo_Count	0
9536	Defined_Atom_Stereo_Count	0
15184917	Hydrogen_Bond_Donor_Count	1
68846936	Total_Formal_Charge	0
46204763	Undefined_Atom_Stereo_Count	0
694876	Covalent_Unit_Count	1
3776755	Rotatable_Bond_Count	0
98341	Defined_Atom_Stereo_Count	0
59503411	Defined_Atom_Stereo_Count	3
66903	Total_Formal_Charge	0
690109	Covalent_Unit_Count	1
498650	TPSA	32.6
22833489	Hydrogen_Bond_Donor_Count	0
44531649	Isotope_Atom_Count	0
5350	Total_Formal_Charge	0
135415868	Structure_Complexity	865
163613625	Total_Formal_Charge	0
69392	Undefined_Atom_Stereo_Count	0
121249	Tautomer_Count	6
6232	Covalent_Unit_Count	1
57404062	Hydrogen_Bond_Acceptor_Count	10
60196434	Covalent_Unit_Count	1
31954	Undefined_Bond_Stereo_Count	0
6422124	XLogP3-AA	2.5
198790	Exact_Mass	373.94122
16726085	Non-hydrogen_Atom_Count	30
22022636	Undefined_Atom_Stereo_Count	0
7244	XLogP3	2.4
313637	Exact_Mass	269.13889351
18374068	Defined_Bond_Stereo_Count	0
13788048	Exact_Mass	390.0111167
8461	Molecular_Weight	182.13
11819055	Hydrogen_Bond_Donor_Count	0
7106	Covalent_Unit_Count	1
56995913	Defined_Bond_Stereo_Count	0
67246787	Exact_Mass	410.0833482
64685	Mono_Isotopic_Weight	154.135765193
89728	Undefined_Atom_Stereo_Count	0
136477	Total_Formal_Charge	0
461003	Non-hydrogen_Atom_Count	31
11513721	Defined_Bond_Stereo_Count	1
537877	Hydrogen_Bond_Acceptor_Count	1
580566	Isotope_Atom_Count	0
6918013	Molecular_Weight	739.0
8918	Non-hydrogen_Atom_Count	13
5319765	Hydrogen_Bond_Acceptor_Count	3
931	Defined_Bond_Stereo_Count	0
140808	TPSA	38.7
601	TPSA	92.4
735091	Defined_Bond_Stereo_Count	0
57498458	Mono_Isotopic_Weight	357.13247072
5365773	Defined_Atom_Stereo_Count	0
561193	XLogP3-AA	1.3
44126086	Hydrogen_Bond_Donor_Count	2
11769095	Defined_Bond_Stereo_Count	0
71464685	Hydrogen_Bond_Donor_Count	6
83295	Rotatable_Bond_Count	18
46240	Undefined_Bond_Stereo_Count	0
24832091	Molecular_Weight	454.5
12229396	XLogP3	3.2
166556	Defined_Bond_Stereo_Count	0
110789	XLogP3-AA	2.1
23662264	Hydrogen_Bond_Acceptor_Count	1
6436063	Total_Formal_Charge	0
145679260	Total_Formal_Charge	0
23866	Isotope_Atom_Count	0
7121	TPSA	55.8
105427002	Non-hydrogen_Atom_Count	8
39230	Rotatable_Bond_Count	4
122522140	Defined_Atom_Stereo_Count	2
44395161	Undefined_Bond_Stereo_Count	0
68284	Exact_Mass	163.00918496
12948	Isotope_Atom_Count	0
22335779	Rotatable_Bond_Count	2
11115032	Defined_Bond_Stereo_Count	0
59290	Undefined_Atom_Stereo_Count	5
36054	Molecular_Weight	184.28
6712744	Covalent_Unit_Count	1
40896	Molecular_Weight	310.29
54601877	Defined_Atom_Stereo_Count	0
103439594	Hydrogen_Bond_Acceptor_Count	2
6419984	Undefined_Atom_Stereo_Count	2
16219049	Structure_Complexity	869
32247	Mono_Isotopic_Weight	337.16126892
86592	Non-hydrogen_Atom_Count	10
5289143	Defined_Bond_Stereo_Count	0
91618104	Total_Formal_Charge	0
3932	Hydrogen_Bond_Donor_Count	0
68547	Hydrogen_Bond_Acceptor_Count	5
641001	Undefined_Bond_Stereo_Count	0
3014538	Undefined_Atom_Stereo_Count	1
67124	Non-hydrogen_Atom_Count	21
4262071	Undefined_Atom_Stereo_Count	5
15951	Hydrogen_Bond_Acceptor_Count	5
635186	Hydrogen_Bond_Donor_Count	1
9188	Defined_Bond_Stereo_Count	0
8259	Structure_Complexity	38.5
85026	TPSA	3.9
64048	Undefined_Atom_Stereo_Count	0
71459864	Rotatable_Bond_Count	18
137616	Defined_Bond_Stereo_Count	0
55290159	Exact_Mass	105.078978594
46783403	Molecular_Weight	785.9
20979505	Hydrogen_Bond_Donor_Count	0
4020	Rotatable_Bond_Count	1
153067665	Non-hydrogen_Atom_Count	8
87653	XLogP3-AA	0.3
163771360	Rotatable_Bond_Count	2
61791	Mono_Isotopic_Weight	492.25252628
79123	Structure_Complexity	77.8
84647614	Isotope_Atom_Count	0
22188	Undefined_Bond_Stereo_Count	0
5909	Exact_Mass	244.0978555
56603655	XLogP3-AA	0.5
9963430	Hydrogen_Bond_Donor_Count	4
841	Hydrogen_Bond_Acceptor_Count	5
137326482	Undefined_Atom_Stereo_Count	0
4874	Hydrogen_Bond_Acceptor_Count	5
3567233	Isotope_Atom_Count	0
175854	Hydrogen_Bond_Acceptor_Count	2
57399651	Exact_Mass	320.0900848
698851	Defined_Bond_Stereo_Count	0
11979741	Molecular_Weight	1448.7
141508	Undefined_Bond_Stereo_Count	0
135705228	Hydrogen_Bond_Donor_Count	8
7494	Exact_Mass	167.058243149
90754	Exact_Mass	299.1189253
5357696	Mono_Isotopic_Weight	84.91178974
18102	Structure_Complexity	175
11675641	Covalent_Unit_Count	1
12309339	Undefined_Bond_Stereo_Count	0
126505488	Molecular_Weight	284.35
46174097	Covalent_Unit_Count	1
95010	Non-hydrogen_Atom_Count	12
147285	Isotope_Atom_Count	0
6437842	Isotope_Atom_Count	0
7656	Undefined_Bond_Stereo_Count	0
1123	Total_Formal_Charge	0
89061875	Structure_Complexity	103
138107566	Exact_Mass	416.32904526
4529	Exact_Mass	750.45542754
115080007	Structure_Complexity	78.4
629392	Undefined_Atom_Stereo_Count	0
136091	Exact_Mass	110.109550447
11173	Hydrogen_Bond_Acceptor_Count	1
20547	Rotatable_Bond_Count	2
65536	Total_Formal_Charge	0
20387201	Defined_Atom_Stereo_Count	0
5248607	Non-hydrogen_Atom_Count	7
71624098	Non-hydrogen_Atom_Count	27
68321854	Isotope_Atom_Count	0
3086652	Undefined_Bond_Stereo_Count	0
14116454	Mono_Isotopic_Weight	98.036779430
70690634	TPSA	108
71234	Mono_Isotopic_Weight	284.12732577
5248048	Covalent_Unit_Count	1
75091	Structure_Complexity	160
57397898	Non-hydrogen_Atom_Count	30
639661	Exact_Mass	84.093900383
71301276	Tautomer_Count	1
15375	Structure_Complexity	73.7
3601	Undefined_Atom_Stereo_Count	0
23694671	Undefined_Bond_Stereo_Count	0
61185	Defined_Bond_Stereo_Count	0
14546681	Undefined_Atom_Stereo_Count	0
47499	Isotope_Atom_Count	0
24972597	XLogP3-AA	0.2
24916993	Undefined_Bond_Stereo_Count	0
9568069	Undefined_Bond_Stereo_Count	0
70678541	Rotatable_Bond_Count	17
25262965	Molecular_Weight	465.5
8341	Undefined_Bond_Stereo_Count	0
8241	TPSA	62.3
84647602	Hydrogen_Bond_Donor_Count	1
8739	Rotatable_Bond_Count	2
31209	Total_Formal_Charge	0
451668	Rotatable_Bond_Count	2
12986478	Structure_Complexity	103
5462501	TPSA	107
165857173	Undefined_Atom_Stereo_Count	1
50925404	Mono_Isotopic_Weight	442.08644461
164167667	Covalent_Unit_Count	1
598777	Undefined_Bond_Stereo_Count	0
13245709	Covalent_Unit_Count	1
20708	Mono_Isotopic_Weight	291.2692779
6455792	Undefined_Bond_Stereo_Count	0
870	Non-hydrogen_Atom_Count	45
6400	Undefined_Atom_Stereo_Count	0
11949646	Tautomer_Count	1
57734486	Exact_Mass	357.14841808
20202559	Total_Formal_Charge	0
2321	Structure_Complexity	805
216712	Mono_Isotopic_Weight	332.03929861
39425	Covalent_Unit_Count	1
2682	XLogP3	7.3
12251381	Non-hydrogen_Atom_Count	8
191510	Hydrogen_Bond_Acceptor_Count	2
64988	Undefined_Atom_Stereo_Count	0
4066245	Non-hydrogen_Atom_Count	22
88715	TPSA	73.5
5320128	Non-hydrogen_Atom_Count	16
5367460	Undefined_Bond_Stereo_Count	0
5707	Total_Formal_Charge	0
25422	Defined_Atom_Stereo_Count	0
6681	Total_Formal_Charge	0
5460135	Defined_Bond_Stereo_Count	3
45791261	Hydrogen_Bond_Donor_Count	1
23675312	Structure_Complexity	713
14976739	Isotope_Atom_Count	0
73557521	Molecular_Weight	190.09
72054	Hydrogen_Bond_Donor_Count	1
447480	Defined_Atom_Stereo_Count	0
15375	Non-hydrogen_Atom_Count	8
656823	Isotope_Atom_Count	0
15073	XLogP3-AA	0.6
447451	Tautomer_Count	30
18186100	Non-hydrogen_Atom_Count	6
162344793	Molecular_Weight	1011.7
6857474	Defined_Atom_Stereo_Count	0
19063	Isotope_Atom_Count	0
208925	Defined_Bond_Stereo_Count	0
314	Structure_Complexity	531
129729130	Covalent_Unit_Count	1
68490	Covalent_Unit_Count	1
68943	Molecular_Weight	291.4
102360081	Hydrogen_Bond_Donor_Count	1
8679	Mono_Isotopic_Weight	219.104799419
21144838	Structure_Complexity	320
6096207	Defined_Bond_Stereo_Count	0
57257887	Total_Formal_Charge	0
27967	Isotope_Atom_Count	0
6384	Molecular_Weight	148.91
673970	Defined_Bond_Stereo_Count	0
67296898	Exact_Mass	114.068079557
21321822	Defined_Atom_Stereo_Count	0
12590282	Isotope_Atom_Count	0
904857	TPSA	26.3
80265	Covalent_Unit_Count	1
545800	Exact_Mass	184.219100893
11572	Undefined_Bond_Stereo_Count	0
68392349	Structure_Complexity	125
70807	Total_Formal_Charge	0
9834591	Exact_Mass	235.01505818
60196356	Hydrogen_Bond_Acceptor_Count	8
446934	Defined_Atom_Stereo_Count	8
129631271	Hydrogen_Bond_Donor_Count	2
1999	Defined_Atom_Stereo_Count	0
519963	Undefined_Bond_Stereo_Count	0
71387	Defined_Atom_Stereo_Count	7
54023535	XLogP3-AA	1.7
8163	Molecular_Weight	170.29
118360420	Total_Formal_Charge	0
11054313	Hydrogen_Bond_Donor_Count	0
21792546	Molecular_Weight	246.21
102059894	Defined_Bond_Stereo_Count	1
49849523	Hydrogen_Bond_Donor_Count	1
84614	Exact_Mass	269.10519334
14985	Structure_Complexity	503
53404864	Defined_Bond_Stereo_Count	0
5360349	Rotatable_Bond_Count	0
11895	Total_Formal_Charge	0
19933114	Exact_Mass	98.073164938
5147171	Hydrogen_Bond_Acceptor_Count	4
641245	Undefined_Bond_Stereo_Count	0
427786	Exact_Mass	258.136827821
129508	Total_Formal_Charge	0
66086	TPSA	0
5364919	Hydrogen_Bond_Acceptor_Count	1
995	Defined_Atom_Stereo_Count	0
9989234	Hydrogen_Bond_Donor_Count	1
54150876	TPSA	64.6
69536	Rotatable_Bond_Count	5
173636	Hydrogen_Bond_Donor_Count	2
54136224	Non-hydrogen_Atom_Count	8
7859	Structure_Complexity	38.5
142959	Structure_Complexity	68.4
153835411	XLogP3-AA	1.4
13218140	Total_Formal_Charge	0
1548900	Covalent_Unit_Count	1
60196351	Hydrogen_Bond_Acceptor_Count	5
140554	Covalent_Unit_Count	1
6419965	Tautomer_Count	3
2531	Mono_Isotopic_Weight	648.994155
6066	Tautomer_Count	1
6788	Defined_Bond_Stereo_Count	0
129645691	Covalent_Unit_Count	2
368	Structure_Complexity	58.4
60867	Total_Formal_Charge	0
18506426	Rotatable_Bond_Count	3
55299417	Hydrogen_Bond_Acceptor_Count	0
9874175	Mono_Isotopic_Weight	640.36247064
18600476	Defined_Bond_Stereo_Count	0
13795047	Isotope_Atom_Count	0
22206	Molecular_Weight	229.71
131704172	Isotope_Atom_Count	0
216239	Covalent_Unit_Count	1
97373	Isotope_Atom_Count	0
3953	Non-hydrogen_Atom_Count	21
6093241	Tautomer_Count	1
72388	TPSA	40.5
9737	Defined_Atom_Stereo_Count	0
67229	Tautomer_Count	1
142994149	Undefined_Atom_Stereo_Count	0
18442682	Isotope_Atom_Count	0
67768	Structure_Complexity	159
6436158	Exact_Mass	813.45107043
16217852	Exact_Mass	125.047678466
2853458	Molecular_Weight	229.28
1498	Molecular_Weight	327.4
105426940	Undefined_Bond_Stereo_Count	0
11948	Rotatable_Bond_Count	2
5324288	Undefined_Atom_Stereo_Count	0
11281011	Molecular_Weight	399.9
14770	TPSA	0
158781	Total_Formal_Charge	0
101643209	Defined_Bond_Stereo_Count	0
28495	Molecular_Weight	181.15
317679	Covalent_Unit_Count	1
1548954	XLogP3-AA	7.2
57394708	Structure_Complexity	746
140814	Undefined_Bond_Stereo_Count	0
165359778	TPSA	17.1
18393	Covalent_Unit_Count	1
590908	Isotope_Atom_Count	0
9834129	Undefined_Atom_Stereo_Count	1
470202	Defined_Atom_Stereo_Count	0
70516989	Non-hydrogen_Atom_Count	7
2526	Molecular_Weight	172.07
122706285	Hydrogen_Bond_Donor_Count	4
9571004	Molecular_Weight	458.0
6918331	Tautomer_Count	1
21893333	Defined_Bond_Stereo_Count	0
107706	Rotatable_Bond_Count	9
12290031	Exact_Mass	85.089149355
56666736	Defined_Atom_Stereo_Count	4
12817963	XLogP3-AA	0.3
71809	Mono_Isotopic_Weight	403.20859
696925	Total_Formal_Charge	0
54540949	Total_Formal_Charge	0
71433469	Rotatable_Bond_Count	0
7632	Non-hydrogen_Atom_Count	12
83976	Molecular_Weight	909.6
6919025	Molecular_Weight	264.8
143506727	Exact_Mass	108.093900383
560	Structure_Complexity	177
92043128	Exact_Mass	837.16598
107867	Undefined_Atom_Stereo_Count	1
11705608	Defined_Atom_Stereo_Count	0
2770166	TPSA	82.5
5464186	Defined_Bond_Stereo_Count	0
246598	Defined_Bond_Stereo_Count	0
58125087	Undefined_Bond_Stereo_Count	0
54419	Covalent_Unit_Count	1
5523	Exact_Mass	263.188529040
5283393	XLogP3-AA	5.6
12820337	Defined_Atom_Stereo_Count	0
20562996	Undefined_Bond_Stereo_Count	0
248333	Structure_Complexity	158
71884	Exact_Mass	710.30978362
42790	Total_Formal_Charge	0
91129494	XLogP3-AA	1.1
71602803	Exact_Mass	337.14264148
75640	Hydrogen_Bond_Acceptor_Count	0
294864	Hydrogen_Bond_Acceptor_Count	3
26945	Rotatable_Bond_Count	8
6857473	Defined_Atom_Stereo_Count	5
70346812	Molecular_Weight	113.16
11234	Non-hydrogen_Atom_Count	16
22505735	Total_Formal_Charge	0
20503	Exact_Mass	388.22497412
95997	Tautomer_Count	2
44419240	Defined_Atom_Stereo_Count	1
28145931	Exact_Mass	388.1553704
85653	TPSA	52.6
12997	XLogP3-AA	4.6
94021	Undefined_Bond_Stereo_Count	0
704245	Hydrogen_Bond_Acceptor_Count	4
79117667	Hydrogen_Bond_Acceptor_Count	3
79000	Non-hydrogen_Atom_Count	8
139085145	Covalent_Unit_Count	1
53910819	Undefined_Bond_Stereo_Count	1
7048	Hydrogen_Bond_Donor_Count	0
17277	Undefined_Atom_Stereo_Count	0
10275789	XLogP3-AA	3.8
4413	Structure_Complexity	552
53476	Mono_Isotopic_Weight	249.9799641
24410	Undefined_Bond_Stereo_Count	0
11983210	Undefined_Bond_Stereo_Count	0
11705141	Defined_Bond_Stereo_Count	0
92395	TPSA	119
702289	Defined_Bond_Stereo_Count	0
53432	Hydrogen_Bond_Acceptor_Count	1
31265	Defined_Bond_Stereo_Count	0
40605	Rotatable_Bond_Count	3
45588096	Hydrogen_Bond_Donor_Count	58
5281232	Hydrogen_Bond_Donor_Count	2
15956520	Hydrogen_Bond_Acceptor_Count	9
27058	Molecular_Weight	292.49
20435	Hydrogen_Bond_Acceptor_Count	5
11179267	Hydrogen_Bond_Acceptor_Count	4
23688987	Tautomer_Count	1
68517380	Undefined_Atom_Stereo_Count	0
2296	Undefined_Atom_Stereo_Count	2
6418	Rotatable_Bond_Count	1
24214097	Undefined_Atom_Stereo_Count	0
544588	Defined_Atom_Stereo_Count	0
63390	Molecular_Weight	295.4
87417871	Hydrogen_Bond_Acceptor_Count	1
4060	XLogP3-AA	1.5
2734040	Mono_Isotopic_Weight	373.895139
78748	Hydrogen_Bond_Acceptor_Count	2
87391	Defined_Bond_Stereo_Count	0
8187	Tautomer_Count	2
19001504	Hydrogen_Bond_Acceptor_Count	3
88447703	Undefined_Atom_Stereo_Count	0
4676	Total_Formal_Charge	0
7201	Non-hydrogen_Atom_Count	10
4707	Undefined_Bond_Stereo_Count	0
136059	Non-hydrogen_Atom_Count	8
7567	Hydrogen_Bond_Donor_Count	0
11815824	XLogP3-AA	1.5
153668204	Isotope_Atom_Count	0
6905	Defined_Bond_Stereo_Count	0
62881	TPSA	269
68675439	Undefined_Atom_Stereo_Count	2
17445	Mono_Isotopic_Weight	264.07799279
60096125	Exact_Mass	113.047678466
13661819	Defined_Bond_Stereo_Count	0
51030053	Undefined_Bond_Stereo_Count	0
16020938	Defined_Bond_Stereo_Count	0
601293	Structure_Complexity	160
221125	Hydrogen_Bond_Acceptor_Count	9
3081386	Rotatable_Bond_Count	11
604	Rotatable_Bond_Count	5
51347104	Rotatable_Bond_Count	2
6347	Isotope_Atom_Count	0
30140	Defined_Bond_Stereo_Count	0
2733244	Covalent_Unit_Count	1
7172302	Structure_Complexity	99.3
80822	Mono_Isotopic_Weight	695.08851438
108147	Tautomer_Count	96
17825268	Rotatable_Bond_Count	3
5271566	Defined_Atom_Stereo_Count	0
19998	Structure_Complexity	225
28131	Structure_Complexity	206
75357255	Rotatable_Bond_Count	1
612499	Molecular_Weight	260.30
10850	Covalent_Unit_Count	1
9797798	TPSA	101
11051611	Covalent_Unit_Count	1
131724228	Non-hydrogen_Atom_Count	92
5464110	Defined_Bond_Stereo_Count	0
45109807	Defined_Bond_Stereo_Count	0
15347676	Exact_Mass	111.079647300
9819043	Hydrogen_Bond_Donor_Count	4
246916	Non-hydrogen_Atom_Count	7
22123474	Defined_Atom_Stereo_Count	0
2794833	Hydrogen_Bond_Acceptor_Count	2
1854	Isotope_Atom_Count	0
19736925	Total_Formal_Charge	0
63099	TPSA	0
19427867	Rotatable_Bond_Count	0
78179	Exact_Mass	148.121177757
1805	Non-hydrogen_Atom_Count	17
169607	Tautomer_Count	2
30945	Hydrogen_Bond_Donor_Count	0
70730	Defined_Atom_Stereo_Count	0
15661697	TPSA	76.1
63022	Rotatable_Bond_Count	3
23488	Structure_Complexity	213
69021	Non-hydrogen_Atom_Count	5
45780	Rotatable_Bond_Count	1
6257	Covalent_Unit_Count	1
56665393	Undefined_Bond_Stereo_Count	0
88564905	Hydrogen_Bond_Donor_Count	2
91171	Rotatable_Bond_Count	3
135580753	Hydrogen_Bond_Acceptor_Count	4
32169	Defined_Bond_Stereo_Count	0
12599701	Exact_Mass	102.068079557
88686	Molecular_Weight	85.003
6537498	Structure_Complexity	188
637520	Hydrogen_Bond_Acceptor_Count	2
21617751	Exact_Mass	113.084063974
5726	TPSA	93.2
1976	Structure_Complexity	968
950975	Isotope_Atom_Count	0
71777654	Defined_Atom_Stereo_Count	4
49869877	Undefined_Bond_Stereo_Count	0
24748573	Total_Formal_Charge	0
29396	Hydrogen_Bond_Donor_Count	2
58247571	Covalent_Unit_Count	1
118984450	Mono_Isotopic_Weight	5803.6376502
902	Defined_Bond_Stereo_Count	0
71113	Rotatable_Bond_Count	5
555949	Undefined_Atom_Stereo_Count	2
226057	Covalent_Unit_Count	1
9579050	Defined_Bond_Stereo_Count	1
135402045	Non-hydrogen_Atom_Count	17
23677989	Hydrogen_Bond_Donor_Count	6
135413554	Isotope_Atom_Count	0
5241	Defined_Bond_Stereo_Count	0
63002	Non-hydrogen_Atom_Count	38
55624	Total_Formal_Charge	0
46738768	XLogP3-AA	0.6
13244862	Defined_Atom_Stereo_Count	0
53398649	Non-hydrogen_Atom_Count	26
136502787	Defined_Bond_Stereo_Count	0
21987892	Structure_Complexity	144
16217535	Hydrogen_Bond_Donor_Count	8
44431171	Defined_Atom_Stereo_Count	2
139061104	Hydrogen_Bond_Donor_Count	10
441328	Hydrogen_Bond_Acceptor_Count	7
6338	Tautomer_Count	1
22153558	Non-hydrogen_Atom_Count	6
968498	TPSA	77.5
14452005	Defined_Bond_Stereo_Count	0
138031	Undefined_Bond_Stereo_Count	0
22184652	Non-hydrogen_Atom_Count	36
2566	Defined_Atom_Stereo_Count	0
11574	Hydrogen_Bond_Acceptor_Count	0
8351	Defined_Bond_Stereo_Count	0
44555481	Defined_Atom_Stereo_Count	1
71894	Hydrogen_Bond_Acceptor_Count	4
10134976	Undefined_Bond_Stereo_Count	0
323	Hydrogen_Bond_Acceptor_Count	2
3442	Molecular_Weight	179.22
62760	Undefined_Atom_Stereo_Count	0
21547072	Non-hydrogen_Atom_Count	7
127243400	Exact_Mass	733.52411623
19891145	Non-hydrogen_Atom_Count	8
11815712	Defined_Bond_Stereo_Count	1
122415	Covalent_Unit_Count	1
139190714	Exact_Mass	156.04225873
92024228	Non-hydrogen_Atom_Count	18
5288033	Defined_Atom_Stereo_Count	0
72253	Mono_Isotopic_Weight	303.07325556
49865920	Defined_Bond_Stereo_Count	0
3000506	Defined_Atom_Stereo_Count	2
71777705	Defined_Atom_Stereo_Count	0
30185	Defined_Bond_Stereo_Count	0
11525116	Structure_Complexity	692
5362527	Non-hydrogen_Atom_Count	14
12974	Covalent_Unit_Count	1
6497	Covalent_Unit_Count	1
29131	Isotope_Atom_Count	0
30914	Non-hydrogen_Atom_Count	9
5323604	Undefined_Atom_Stereo_Count	0
5354035	Undefined_Atom_Stereo_Count	1
12581088	Exact_Mass	110.084398327
26473	Mono_Isotopic_Weight	143.89618
135417349	Molecular_Weight	116.12
710762	Exact_Mass	270.10044231
60196366	Undefined_Bond_Stereo_Count	0
449069	Molecular_Weight	242.32
65055	Defined_Bond_Stereo_Count	0
13213307	Total_Formal_Charge	0
54037464	Undefined_Bond_Stereo_Count	0
60751	Total_Formal_Charge	0
9797055	Defined_Bond_Stereo_Count	0
61177	Undefined_Bond_Stereo_Count	0
9864687	Total_Formal_Charge	0
5360373	Non-hydrogen_Atom_Count	96
704316	Structure_Complexity	631
75657	Exact_Mass	127.099714038
68944676	Defined_Bond_Stereo_Count	0
10167713	XLogP3-AA	5
144440	Undefined_Atom_Stereo_Count	1
8205	Undefined_Bond_Stereo_Count	0
15166013	Covalent_Unit_Count	1
10111	Non-hydrogen_Atom_Count	5
13725871	Undefined_Bond_Stereo_Count	0
67258976	Covalent_Unit_Count	1
8052	Molecular_Weight	116.16
23683938	Exact_Mass	198.01403222
24865264	Non-hydrogen_Atom_Count	33
14268486	Total_Formal_Charge	0
4640	Total_Formal_Charge	0
4551	Rotatable_Bond_Count	0
16700308	Hydrogen_Bond_Donor_Count	0
131954763	Total_Formal_Charge	0
93125	Total_Formal_Charge	0
13055556	Isotope_Atom_Count	0
81846	Structure_Complexity	464
70144	Undefined_Atom_Stereo_Count	0
20097868	TPSA	23.8
10437166	XLogP3-AA	4.3
83679654	Rotatable_Bond_Count	1
81574	Covalent_Unit_Count	1
22978371	Mono_Isotopic_Weight	109.052763847
27665	XLogP3	2.7
462382	Structure_Complexity	644
87820	Structure_Complexity	206
88358812	Total_Formal_Charge	0
163613625	Non-hydrogen_Atom_Count	7
51921893	Total_Formal_Charge	0
5388879	Hydrogen_Bond_Acceptor_Count	2
50993726	Rotatable_Bond_Count	6
688303	Hydrogen_Bond_Donor_Count	0
86836	Molecular_Weight	217.22
146689208	Mono_Isotopic_Weight	110.073164938
68942	Undefined_Atom_Stereo_Count	0
56928166	Non-hydrogen_Atom_Count	145
268492	Non-hydrogen_Atom_Count	23
146159466	Molecular_Weight	398.7
12453026	Undefined_Bond_Stereo_Count	0
44229079	Defined_Bond_Stereo_Count	1
70783	Covalent_Unit_Count	1
10493936	Isotope_Atom_Count	0
6867	Defined_Atom_Stereo_Count	0
519415	Defined_Atom_Stereo_Count	0
59557415	Hydrogen_Bond_Donor_Count	2
51417552	Exact_Mass	288.17254462
71668	Hydrogen_Bond_Acceptor_Count	2
83170	Undefined_Atom_Stereo_Count	0
5284585	Isotope_Atom_Count	0
13449768	Covalent_Unit_Count	1
120507	Undefined_Atom_Stereo_Count	0
23378923	Hydrogen_Bond_Donor_Count	1
1224	Hydrogen_Bond_Acceptor_Count	2
57417192	TPSA	231
12430063	Rotatable_Bond_Count	0
5311067	Exact_Mass	376.20498756
118513932	XLogP3-AA	0.5
34755	Undefined_Bond_Stereo_Count	0
68681268	Mono_Isotopic_Weight	432.12338320
32414	Structure_Complexity	253
6516	Mono_Isotopic_Weight	190.10252097
14017772	TPSA	72.6
58420420	Covalent_Unit_Count	1
445501	Total_Formal_Charge	0
6024631	Defined_Bond_Stereo_Count	1
14589	Mono_Isotopic_Weight	208.088815002
11527661	Defined_Atom_Stereo_Count	1
52021	Hydrogen_Bond_Donor_Count	1
10953595	Structure_Complexity	146
1382059	Structure_Complexity	113
11480402	Undefined_Atom_Stereo_Count	0
72402	Undefined_Bond_Stereo_Count	0
136585	XLogP3-AA	2.4
74193	Non-hydrogen_Atom_Count	16
21357280	XLogP3-AA	1.9
64143	Mono_Isotopic_Weight	567.31307810
2596914	Exact_Mass	372.11437830
10429739	Defined_Bond_Stereo_Count	0
65501	Defined_Bond_Stereo_Count	0
440707	Molecular_Weight	346.5
101016656	Covalent_Unit_Count	5
136673	Tautomer_Count	1
54293066	Defined_Bond_Stereo_Count	0
71961	Hydrogen_Bond_Acceptor_Count	9
13867124	Undefined_Bond_Stereo_Count	0
12741658	Molecular_Weight	100.12
5311449	Non-hydrogen_Atom_Count	44
14435658	Defined_Bond_Stereo_Count	0
3086674	Undefined_Bond_Stereo_Count	0
10697956	Undefined_Bond_Stereo_Count	0
3713298	XLogP3	0.9
4581	Structure_Complexity	111
2736145	Hydrogen_Bond_Donor_Count	1
86399	Total_Formal_Charge	0
23675321	Mono_Isotopic_Weight	418.02692283
2482	Hydrogen_Bond_Acceptor_Count	3
5370611	Defined_Bond_Stereo_Count	1
10367	Defined_Atom_Stereo_Count	0
156144	Mono_Isotopic_Weight	340.0269143
6918483	Defined_Atom_Stereo_Count	7
159866	Defined_Bond_Stereo_Count	0
261668	Hydrogen_Bond_Donor_Count	0
102891	Structure_Complexity	388
19986922	Hydrogen_Bond_Donor_Count	2
167195	Non-hydrogen_Atom_Count	1
5281088	Non-hydrogen_Atom_Count	22
71402	Defined_Bond_Stereo_Count	0
2296	Tautomer_Count	5
55287958	Hydrogen_Bond_Acceptor_Count	2
6451477	TPSA	9.2
6473767	Undefined_Bond_Stereo_Count	0
68203	Undefined_Atom_Stereo_Count	0
21658180	Total_Formal_Charge	0
137955303	Mono_Isotopic_Weight	109.052763847
9795291	Mono_Isotopic_Weight	265.09866828
13587089	Isotope_Atom_Count	0
10476254	Non-hydrogen_Atom_Count	27
124173720	Hydrogen_Bond_Acceptor_Count	8
45119915	Defined_Bond_Stereo_Count	0
440667	Isotope_Atom_Count	0
89678335	Covalent_Unit_Count	1
721137	Rotatable_Bond_Count	5
6096207	Isotope_Atom_Count	0
65432	Defined_Atom_Stereo_Count	0
69985	Undefined_Atom_Stereo_Count	0
250096	Covalent_Unit_Count	1
23668192	Rotatable_Bond_Count	1
5281670	Rotatable_Bond_Count	1
11297956	Hydrogen_Bond_Acceptor_Count	2
133562785	Isotope_Atom_Count	0
2898	Structure_Complexity	503
19648	Undefined_Atom_Stereo_Count	0
153970	TPSA	135
12218316	Molecular_Weight	287.4
12242815	Non-hydrogen_Atom_Count	11
82839	Structure_Complexity	18.3
6342	XLogP3-AA	0
54678431	Structure_Complexity	681
62403	Hydrogen_Bond_Donor_Count	15
24746982	XLogP3-AA	3.3
13664	XLogP3-AA	3.3
2734247	Non-hydrogen_Atom_Count	20
21844441	Defined_Atom_Stereo_Count	0
12408	Structure_Complexity	218
24405	Tautomer_Count	3
65856	Defined_Atom_Stereo_Count	2
14740383	Total_Formal_Charge	0
2115	Isotope_Atom_Count	0
6778	Undefined_Atom_Stereo_Count	0
89576915	Structure_Complexity	120
137705114	Hydrogen_Bond_Acceptor_Count	5
16760577	Defined_Bond_Stereo_Count	0
8367	Defined_Bond_Stereo_Count	0
69342109	Non-hydrogen_Atom_Count	8
16212360	TPSA	40.1
123385140	Hydrogen_Bond_Acceptor_Count	1
22574	Mono_Isotopic_Weight	232.99940812
21749202	Structure_Complexity	78.6
35740	Structure_Complexity	868
9576412	Total_Formal_Charge	0
53380818	Undefined_Atom_Stereo_Count	0
62820	Rotatable_Bond_Count	3
3153	Hydrogen_Bond_Acceptor_Count	3
4890	Tautomer_Count	2
54434340	Structure_Complexity	114
54041	Exact_Mass	276.183778013
82479	Non-hydrogen_Atom_Count	14
22967002	Rotatable_Bond_Count	0
137018	XLogP3-AA	1.5
7522	Hydrogen_Bond_Donor_Count	0
6914	Non-hydrogen_Atom_Count	10
10662	Defined_Atom_Stereo_Count	0
9256	Hydrogen_Bond_Donor_Count	0
5942099	Undefined_Atom_Stereo_Count	1
166653	Structure_Complexity	0
266651	Non-hydrogen_Atom_Count	47
5497105	Mono_Isotopic_Weight	447.17015238
16161850	Non-hydrogen_Atom_Count	93
10141	Hydrogen_Bond_Donor_Count	2
162204726	Covalent_Unit_Count	1
825784	Exact_Mass	248.04119
1463	Undefined_Bond_Stereo_Count	0
15909	Hydrogen_Bond_Donor_Count	0
16666	TPSA	20.2
70688017	Isotope_Atom_Count	0
9810601	Hydrogen_Bond_Acceptor_Count	14
131704316	Defined_Atom_Stereo_Count	0
519846	Structure_Complexity	72.9
72200037	Rotatable_Bond_Count	9
40479707	Exact_Mass	302.17561863
13973341	Exact_Mass	115.099714038
13986	Tautomer_Count	1
6058	Undefined_Atom_Stereo_Count	0
61101	Hydrogen_Bond_Acceptor_Count	8
101602193	Structure_Complexity	1510
70523	Isotope_Atom_Count	0
14969	Non-hydrogen_Atom_Count	101
70689351	Tautomer_Count	9
81732	Undefined_Atom_Stereo_Count	0
7056	Mono_Isotopic_Weight	162.0236279
41037	Exact_Mass	346.0826531
13625	Structure_Complexity	160
54687772	Rotatable_Bond_Count	8
97792	Molecular_Weight	132.16
80152	Rotatable_Bond_Count	3
67810472	Non-hydrogen_Atom_Count	23
185617	Total_Formal_Charge	0
688691	XLogP3-AA	2
282471	Isotope_Atom_Count	0
7048634	Rotatable_Bond_Count	6
21893333	Isotope_Atom_Count	0
21142	Exact_Mass	178.04773803
15018	Undefined_Atom_Stereo_Count	0
72493	Undefined_Atom_Stereo_Count	0
10994	Isotope_Atom_Count	0
104735	Non-hydrogen_Atom_Count	12
6419108	Defined_Bond_Stereo_Count	0
53784863	TPSA	30.5
11677589	Non-hydrogen_Atom_Count	35
119716	Isotope_Atom_Count	0
2083	TPSA	72.7
6421522	Mono_Isotopic_Weight	216.126263138
15664	TPSA	25.8
164116	Covalent_Unit_Count	1
67553	Hydrogen_Bond_Acceptor_Count	1
77287	Hydrogen_Bond_Acceptor_Count	1
2216	TPSA	62.4
59864	Rotatable_Bond_Count	4
3791	XLogP3	2.1
91561252	Isotope_Atom_Count	0
9821383	Exact_Mass	383.20563565
71541190	Defined_Atom_Stereo_Count	1
441244	Hydrogen_Bond_Acceptor_Count	6
9897697	Rotatable_Bond_Count	9
5359371	Undefined_Atom_Stereo_Count	0
120084	Structure_Complexity	30.7
46228852	TPSA	135
17864	Structure_Complexity	28.7
67106798	Undefined_Atom_Stereo_Count	0
44226825	Structure_Complexity	418
439280	Rotatable_Bond_Count	3
5479494	TPSA	169
22277879	Defined_Atom_Stereo_Count	0
5281071	XLogP3	1.5
23533634	Mono_Isotopic_Weight	118.062994177
2106900	Total_Formal_Charge	0
21896450	TPSA	50.1
180504	Non-hydrogen_Atom_Count	27
33755	Defined_Bond_Stereo_Count	0
10220680	Undefined_Atom_Stereo_Count	0
81423	Structure_Complexity	126
518455	Structure_Complexity	64.7
6433396	Hydrogen_Bond_Acceptor_Count	4
2723770	Non-hydrogen_Atom_Count	8
123969717	Defined_Atom_Stereo_Count	0
23974	Molecular_Weight	140.116
54186	XLogP3-AA	3.5
25150856	Isotope_Atom_Count	0
160757343	Undefined_Atom_Stereo_Count	2
21379	Undefined_Bond_Stereo_Count	0
15700781	Rotatable_Bond_Count	2
5327131	Isotope_Atom_Count	0
121881	Undefined_Bond_Stereo_Count	0
53917786	Mono_Isotopic_Weight	113.022526347
43672	Defined_Atom_Stereo_Count	4
10131269	Total_Formal_Charge	0
8794	Hydrogen_Bond_Acceptor_Count	1
3011527	Non-hydrogen_Atom_Count	26
44119664	Defined_Bond_Stereo_Count	0
7111	Isotope_Atom_Count	0
588352	Rotatable_Bond_Count	7
146158781	Covalent_Unit_Count	2
49862519	XLogP3-AA	4.7
16054	Structure_Complexity	126
179337	Mono_Isotopic_Weight	475.18172958
13244490	Isotope_Atom_Count	0
557021	Tautomer_Count	1
3500	Isotope_Atom_Count	0
787	Defined_Bond_Stereo_Count	0
19027815	TPSA	15.8
6136	Defined_Bond_Stereo_Count	0
3643	Structure_Complexity	908
119083374	Rotatable_Bond_Count	0
11954041	Undefined_Bond_Stereo_Count	0
71117	Rotatable_Bond_Count	5
129821645	Defined_Bond_Stereo_Count	0
20190619	Defined_Bond_Stereo_Count	0
7504	Covalent_Unit_Count	1
10109058	Molecular_Weight	358.5
78931	Hydrogen_Bond_Acceptor_Count	2
53424410	Rotatable_Bond_Count	1
520098	Undefined_Bond_Stereo_Count	0
131839611	Rotatable_Bond_Count	5
17412	Covalent_Unit_Count	1
66041	XLogP3-AA	3.5
48279	Tautomer_Count	1
4583497	Hydrogen_Bond_Acceptor_Count	2
22817455	Undefined_Atom_Stereo_Count	0
70838	Isotope_Atom_Count	0
130124973	Rotatable_Bond_Count	3
10218	TPSA	63.2
101099404	Rotatable_Bond_Count	6
441336	XLogP3	3.9
487	Defined_Atom_Stereo_Count	0
23677974	Isotope_Atom_Count	0
86154978	Mono_Isotopic_Weight	343.04002688
95497	Non-hydrogen_Atom_Count	7
126514322	Covalent_Unit_Count	1
68290287	Molecular_Weight	114.10
2435	Defined_Bond_Stereo_Count	0
21976318	XLogP3-AA	3.2
12412244	Molecular_Weight	87.08
6445230	Non-hydrogen_Atom_Count	35
202225	Hydrogen_Bond_Donor_Count	0
909860	Covalent_Unit_Count	1
10192685	Total_Formal_Charge	0
17118	Covalent_Unit_Count	2
94781	Tautomer_Count	1
62066	Rotatable_Bond_Count	5
5281052	Defined_Bond_Stereo_Count	1
54236240	Undefined_Bond_Stereo_Count	0
134812042	Hydrogen_Bond_Acceptor_Count	11
88959077	Hydrogen_Bond_Acceptor_Count	2
15561473	Hydrogen_Bond_Donor_Count	2
83150	Hydrogen_Bond_Donor_Count	2
146158371	Total_Formal_Charge	0
9563	Undefined_Atom_Stereo_Count	5
85979	Defined_Bond_Stereo_Count	0
146158299	Rotatable_Bond_Count	4
139202065	Defined_Atom_Stereo_Count	2
44455014	Non-hydrogen_Atom_Count	26
56037	Rotatable_Bond_Count	10
557171	Covalent_Unit_Count	1
70198	Hydrogen_Bond_Acceptor_Count	1
44485	Structure_Complexity	208
99486	Structure_Complexity	873
561	Undefined_Bond_Stereo_Count	0
656602	Non-hydrogen_Atom_Count	30
13387	Rotatable_Bond_Count	0
25315	Undefined_Bond_Stereo_Count	0
398738	Defined_Atom_Stereo_Count	0
95173	Defined_Bond_Stereo_Count	0
13826	Mono_Isotopic_Weight	118.04907545
10757	Mono_Isotopic_Weight	154.0185425
81184	Rotatable_Bond_Count	0
15739357	Defined_Atom_Stereo_Count	0
53846421	TPSA	60.7
8778	Hydrogen_Bond_Donor_Count	1
87280025	Total_Formal_Charge	0
136873	Covalent_Unit_Count	1
11116575	Covalent_Unit_Count	1
14577976	Undefined_Bond_Stereo_Count	0
5281614	XLogP3-AA	2
22341299	Total_Formal_Charge	0
12719155	Defined_Atom_Stereo_Count	0
57756	Isotope_Atom_Count	0
11636326	Undefined_Bond_Stereo_Count	0
68321900	Exact_Mass	365.17394160
30513	Molecular_Weight	259.29
11325699	Exact_Mass	354.0328724
136257761	Molecular_Weight	252.70
12284	Defined_Atom_Stereo_Count	0
56982924	Undefined_Bond_Stereo_Count	0
7067874	Defined_Atom_Stereo_Count	5
139782102	Exact_Mass	96.057514874
18718236	Undefined_Bond_Stereo_Count	0
44719848	Defined_Bond_Stereo_Count	0
7121	Exact_Mass	182.05790880
139465606	Undefined_Atom_Stereo_Count	0
57564	Defined_Bond_Stereo_Count	0
129009974	Defined_Atom_Stereo_Count	12
59991562	Non-hydrogen_Atom_Count	8
24807614	Total_Formal_Charge	0
67277	Defined_Bond_Stereo_Count	0
156599244	XLogP3-AA	5.1
44298618	XLogP3-AA	6.9
83146	Exact_Mass	158.118103753
158553	Tautomer_Count	32
71655	TPSA	101
797998	Molecular_Weight	344.7
3571519	Structure_Complexity	166
54740	Total_Formal_Charge	0
16048558	Exact_Mass	230.094294304
181976	Rotatable_Bond_Count	4
46782362	Undefined_Atom_Stereo_Count	0
412795	Hydrogen_Bond_Donor_Count	0
23423	XLogP3-AA	5.5
23	Undefined_Atom_Stereo_Count	0
7939	Hydrogen_Bond_Donor_Count	1
173411	Hydrogen_Bond_Donor_Count	6
126963424	Hydrogen_Bond_Donor_Count	0
9948102	Defined_Bond_Stereo_Count	0
10005402	Defined_Bond_Stereo_Count	0
119081	Isotope_Atom_Count	0
5284359	Hydrogen_Bond_Acceptor_Count	2
15938	Total_Formal_Charge	0
107646	Exact_Mass	291.0192881
2512	Hydrogen_Bond_Donor_Count	2
10753	Undefined_Bond_Stereo_Count	0
94744	Molecular_Weight	117.15
91604	Exact_Mass	210.161979940
197	Structure_Complexity	638
53907192	Hydrogen_Bond_Acceptor_Count	3
24873435	Molecular_Weight	749.9
1636	Exact_Mass	488.13412551
123373137	Defined_Atom_Stereo_Count	0
94154	Total_Formal_Charge	0
11957725	Undefined_Bond_Stereo_Count	0
42580058	Total_Formal_Charge	0
25875	Total_Formal_Charge	0
136603687	Isotope_Atom_Count	0
22603628	TPSA	63.3
556998	Defined_Bond_Stereo_Count	0
336423	Covalent_Unit_Count	1
21869002	Exact_Mass	118.062994177
8906	Structure_Complexity	221
53743621	Total_Formal_Charge	0
46228852	Total_Formal_Charge	0
72160	Undefined_Atom_Stereo_Count	0
13009	Total_Formal_Charge	0
132541087	Hydrogen_Bond_Donor_Count	0
21145	Structure_Complexity	257
10725321	Isotope_Atom_Count	0
57396951	Mono_Isotopic_Weight	640.25646912
96135	Undefined_Atom_Stereo_Count	0
23423585	Hydrogen_Bond_Acceptor_Count	3
166144333	Defined_Bond_Stereo_Count	0
62788	Defined_Bond_Stereo_Count	0
135434844	Rotatable_Bond_Count	24
2581	Undefined_Bond_Stereo_Count	0
135403647	Non-hydrogen_Atom_Count	35
135406870	XLogP3-AA	0.9
132201306	Rotatable_Bond_Count	15
14714336	Defined_Atom_Stereo_Count	0
11339	Covalent_Unit_Count	1
445258	Covalent_Unit_Count	1
59716033	Mono_Isotopic_Weight	96.068748264
16205480	Hydrogen_Bond_Acceptor_Count	3
75947	Isotope_Atom_Count	0
12277679	Isotope_Atom_Count	0
65761	Molecular_Weight	193.22
12248569	Covalent_Unit_Count	1
20393	Defined_Atom_Stereo_Count	0
88100859	Hydrogen_Bond_Acceptor_Count	5
157920	Defined_Atom_Stereo_Count	4
91742	Isotope_Atom_Count	0
71517366	Structure_Complexity	1020
53232451	Non-hydrogen_Atom_Count	26
7990	Structure_Complexity	93.2
599	Isotope_Atom_Count	0
13619723	Hydrogen_Bond_Acceptor_Count	1
2787	Hydrogen_Bond_Donor_Count	2
91411367	Defined_Atom_Stereo_Count	0
51947	Exact_Mass	376.09977
6881	XLogP3	4
67698	Molecular_Weight	180.10
42865	Structure_Complexity	280
593411	Total_Formal_Charge	0
416960	Undefined_Atom_Stereo_Count	1
119476	Isotope_Atom_Count	0
6451151	Non-hydrogen_Atom_Count	20
71342117	Defined_Bond_Stereo_Count	0
23187765	Covalent_Unit_Count	1
34237	Undefined_Bond_Stereo_Count	0
117291	Hydrogen_Bond_Acceptor_Count	4
381117	Non-hydrogen_Atom_Count	19
124222418	Hydrogen_Bond_Acceptor_Count	11
5280373	Undefined_Atom_Stereo_Count	0
726944	Undefined_Bond_Stereo_Count	0
927	Exact_Mass	543.07675980
59540609	Mono_Isotopic_Weight	111.068413911
12303783	TPSA	69.9
894327	Mono_Isotopic_Weight	289.121512110
729483	Undefined_Atom_Stereo_Count	0
52947016	Covalent_Unit_Count	1
13794994	Structure_Complexity	149
12962868	Structure_Complexity	98.4
176907	Non-hydrogen_Atom_Count	19
86498	Non-hydrogen_Atom_Count	26
13136	Non-hydrogen_Atom_Count	29
81832	Tautomer_Count	3
16131448	Mono_Isotopic_Weight	1807.98054885
13348970	TPSA	67.2
165600653	Isotope_Atom_Count	0
118505252	Hydrogen_Bond_Acceptor_Count	2
8881	Hydrogen_Bond_Acceptor_Count	0
54160801	Molecular_Weight	98.10
129747104	Defined_Bond_Stereo_Count	0
71894	Defined_Atom_Stereo_Count	0
140898864	Non-hydrogen_Atom_Count	8
38853	Undefined_Bond_Stereo_Count	0
779642	Defined_Atom_Stereo_Count	0
72401	TPSA	162
10051341	Molecular_Weight	492.6
5488196	Molecular_Weight	236.27
142965989	XLogP3-AA	5.1
6422	Defined_Bond_Stereo_Count	0
111509	Exact_Mass	88.052429494
534258	XLogP3-AA	1.4
6436541	TPSA	35.9
886677	Defined_Atom_Stereo_Count	1
41969	Total_Formal_Charge	0
67688	Total_Formal_Charge	0
642156	Undefined_Bond_Stereo_Count	0
35841	Hydrogen_Bond_Acceptor_Count	1
23262897	Hydrogen_Bond_Donor_Count	0
27967	Defined_Atom_Stereo_Count	0
81278	Hydrogen_Bond_Acceptor_Count	1
142186967	Hydrogen_Bond_Donor_Count	3
8310	Isotope_Atom_Count	0
5378293	Isotope_Atom_Count	0
162172	Isotope_Atom_Count	0
9009	Tautomer_Count	1
62662	Isotope_Atom_Count	0
765378	Hydrogen_Bond_Acceptor_Count	5
5816	Molecular_Weight	183.20
9922708	Structure_Complexity	360
13083763	Covalent_Unit_Count	1
3067270	Structure_Complexity	343
10090208	Structure_Complexity	530
441337	Defined_Atom_Stereo_Count	0
14263148	Defined_Atom_Stereo_Count	0
8692	XLogP3	0.2
3744660	Structure_Complexity	220
32592	Rotatable_Bond_Count	7
594	Covalent_Unit_Count	1
23676736	Non-hydrogen_Atom_Count	30
656685	TPSA	143
230	Total_Formal_Charge	0
216208	Mono_Isotopic_Weight	505.26890461
8761	Covalent_Unit_Count	1
855556	Exact_Mass	293.08341252
9547928	Isotope_Atom_Count	0
71449989	Structure_Complexity	505
265237	Rotatable_Bond_Count	3
67553	Mono_Isotopic_Weight	369.18925
16659681	Total_Formal_Charge	0
8779	Hydrogen_Bond_Donor_Count	0
20054871	Undefined_Atom_Stereo_Count	0
24180680	Isotope_Atom_Count	0
59064	Undefined_Bond_Stereo_Count	0
79036	Isotope_Atom_Count	0
5153297	Hydrogen_Bond_Donor_Count	2
57992175	Exact_Mass	417.22770851
834999	Hydrogen_Bond_Acceptor_Count	6
134688573	Covalent_Unit_Count	1
71853	Hydrogen_Bond_Acceptor_Count	47
155142	Hydrogen_Bond_Donor_Count	0
44620953	Defined_Atom_Stereo_Count	20
721947	Molecular_Weight	333.71
71751164	Undefined_Bond_Stereo_Count	0
30856	Non-hydrogen_Atom_Count	2
27020	Mono_Isotopic_Weight	643.71052
87454072	Mono_Isotopic_Weight	100.027277375
145705715	Undefined_Bond_Stereo_Count	2
11289630	Total_Formal_Charge	0
23663404	Exact_Mass	420.19126830
129821327	Isotope_Atom_Count	0
867	TPSA	74.6
58988613	Molecular_Weight	118.13
2346	Structure_Complexity	132
1683	Undefined_Bond_Stereo_Count	0
24721009	Exact_Mass	280.1706265
71454296	Defined_Atom_Stereo_Count	1
11111992	Molecular_Weight	393.5
59277756	Structure_Complexity	58.1
114690178	Molecular_Weight	107.11
31284	Tautomer_Count	1
160538	Undefined_Atom_Stereo_Count	1
153643637	Undefined_Atom_Stereo_Count	0
542305	Exact_Mass	118.099379685
60165656	Undefined_Atom_Stereo_Count	0
534610	Undefined_Bond_Stereo_Count	0
179547	Molecular_Weight	144.09
162955683	Undefined_Bond_Stereo_Count	0
11063855	Mono_Isotopic_Weight	216.208930132
19540	Tautomer_Count	1
556684	Undefined_Atom_Stereo_Count	0
51357124	Hydrogen_Bond_Acceptor_Count	5
10405144	Structure_Complexity	243
101148	Mono_Isotopic_Weight	152.083729621
102891	Isotope_Atom_Count	0
91731	Undefined_Atom_Stereo_Count	0
9549284	Defined_Bond_Stereo_Count	1
23653	XLogP3-AA	0.9
151404	Isotope_Atom_Count	0
15239355	Isotope_Atom_Count	0
16950	Molecular_Weight	290.27
5017	Undefined_Bond_Stereo_Count	0
15043884	Rotatable_Bond_Count	2
55250	TPSA	87.9
3877	Hydrogen_Bond_Donor_Count	2
53356659	TPSA	101
49864766	Undefined_Atom_Stereo_Count	0
9851505	Defined_Bond_Stereo_Count	0
25202509	TPSA	216
5459842	Hydrogen_Bond_Acceptor_Count	3
65957	Defined_Bond_Stereo_Count	0
17019	Hydrogen_Bond_Acceptor_Count	0
518234	Isotope_Atom_Count	0
13427979	Non-hydrogen_Atom_Count	8
15448	XLogP3	4.5
11346	Hydrogen_Bond_Acceptor_Count	3
15940949	Molecular_Weight	495.6
151476	Mono_Isotopic_Weight	235.98105
12136363	Covalent_Unit_Count	1
809622	TPSA	82.9
62232603	XLogP3-AA	0
3729	Defined_Atom_Stereo_Count	0
11078	Exact_Mass	330.1710204
54587227	Isotope_Atom_Count	0
233979	Defined_Bond_Stereo_Count	0
10470544	Total_Formal_Charge	0
4292413	Undefined_Atom_Stereo_Count	0
4412	Exact_Mass	743.07545344
117859259	Covalent_Unit_Count	1
21720414	Defined_Bond_Stereo_Count	0
15020	Non-hydrogen_Atom_Count	22
14140995	Hydrogen_Bond_Donor_Count	0
6427991	Hydrogen_Bond_Acceptor_Count	2
108223	Mono_Isotopic_Weight	164.06847348
66558858	Rotatable_Bond_Count	3
89683805	Hydrogen_Bond_Donor_Count	3
139088888	Total_Formal_Charge	0
135801111	Structure_Complexity	834
156252	Undefined_Atom_Stereo_Count	0
73386890	Defined_Atom_Stereo_Count	0
6917662	Mono_Isotopic_Weight	283.1702921
4452	Hydrogen_Bond_Donor_Count	2
129679806	Undefined_Bond_Stereo_Count	0
147089	Non-hydrogen_Atom_Count	17
519382	Isotope_Atom_Count	0
45085022	Non-hydrogen_Atom_Count	8
135566371	TPSA	123
564184	Rotatable_Bond_Count	0
84945	Hydrogen_Bond_Donor_Count	0
6401	Tautomer_Count	1
10701	Total_Formal_Charge	0
3365553	Exact_Mass	87.068413911
6303	Isotope_Atom_Count	0
34148	XLogP3-AA	6.1
14020433	Undefined_Atom_Stereo_Count	2
71584056	Exact_Mass	455.19911098
49937	Defined_Bond_Stereo_Count	0
67108443	Rotatable_Bond_Count	6
23667299	Hydrogen_Bond_Donor_Count	3
12725	Isotope_Atom_Count	0
105010	TPSA	58.6
286	Undefined_Atom_Stereo_Count	0
138673	Rotatable_Bond_Count	3
65726	Total_Formal_Charge	0
14899645	Isotope_Atom_Count	0
59774	Hydrogen_Bond_Acceptor_Count	4
154152828	Mono_Isotopic_Weight	92.062600255
73854	Rotatable_Bond_Count	13
67214	Structure_Complexity	1210
12724398	Mono_Isotopic_Weight	112.100048391
5535	TPSA	378
7245	Exact_Mass	128.0028925
5284349	Defined_Bond_Stereo_Count	0
2912	Structure_Complexity	643
5460324	XLogP3-AA	2.4
16220111	Total_Formal_Charge	0
65014	Defined_Atom_Stereo_Count	0
19367743	Hydrogen_Bond_Donor_Count	1
87962	Hydrogen_Bond_Donor_Count	1
969462	Undefined_Bond_Stereo_Count	0
96092	Hydrogen_Bond_Donor_Count	1
38350	Hydrogen_Bond_Donor_Count	0
44629596	Rotatable_Bond_Count	11
11954319	Rotatable_Bond_Count	4
87868	Total_Formal_Charge	0
11483754	Defined_Atom_Stereo_Count	4
53298813	Covalent_Unit_Count	1
10430619	Exact_Mass	392.19990218
248961	Molecular_Weight	98.15
4284720	Structure_Complexity	315
644017	Isotope_Atom_Count	0
254454	Covalent_Unit_Count	1
21023677	Molecular_Weight	114.19
58028426	Defined_Bond_Stereo_Count	0
54544621	Non-hydrogen_Atom_Count	8
135992838	Rotatable_Bond_Count	2
703965	Total_Formal_Charge	0
4329331	Non-hydrogen_Atom_Count	17
71035	Non-hydrogen_Atom_Count	18
54682830	Mono_Isotopic_Weight	250.08412354
20903	Exact_Mass	126.068079557
101417707	Molecular_Weight	262.4
1289	Covalent_Unit_Count	1
8028	Hydrogen_Bond_Donor_Count	0
135410917	Defined_Atom_Stereo_Count	0
54584775	Exact_Mass	291.13830499
967	Defined_Atom_Stereo_Count	0
156618073	Exact_Mass	342.11621151
619446	Undefined_Bond_Stereo_Count	0
4532218	Isotope_Atom_Count	0
2733928	Exact_Mass	239.0924357
711656	Rotatable_Bond_Count	0
11094599	Non-hydrogen_Atom_Count	10
3081185	Rotatable_Bond_Count	4
3035850	Mono_Isotopic_Weight	544.01228
21809017	Covalent_Unit_Count	1
53793878	Undefined_Atom_Stereo_Count	0
68847	Molecular_Weight	376.5
5878	Defined_Bond_Stereo_Count	0
5663	Non-hydrogen_Atom_Count	29
69965423	Hydrogen_Bond_Donor_Count	1
129893562	Rotatable_Bond_Count	26
129794671	Defined_Atom_Stereo_Count	0
304	Hydrogen_Bond_Acceptor_Count	1
74136	Mono_Isotopic_Weight	371.09225967
62357	Exact_Mass	442.22564282
6992028	Hydrogen_Bond_Donor_Count	1
12513420	Mono_Isotopic_Weight	98.073164938
155893809	Defined_Bond_Stereo_Count	0
14523483	Structure_Complexity	374
760021	Molecular_Weight	229.27
17604	Undefined_Atom_Stereo_Count	0
13113546	Molecular_Weight	99.13
1669	Tautomer_Count	5
4472	Defined_Atom_Stereo_Count	0
23279533	Hydrogen_Bond_Acceptor_Count	3
69161653	XLogP3-AA	1.1
78099560	Mono_Isotopic_Weight	462.1686514
636750	Hydrogen_Bond_Donor_Count	0
23080859	Non-hydrogen_Atom_Count	8
50192	Defined_Atom_Stereo_Count	10
220878	Non-hydrogen_Atom_Count	7
28532	TPSA	95.6
65576188	Hydrogen_Bond_Acceptor_Count	2
1629	Hydrogen_Bond_Acceptor_Count	6
162171	XLogP3	2.5
11937	Tautomer_Count	1
101863	Covalent_Unit_Count	1
15013749	Non-hydrogen_Atom_Count	39
104977	Total_Formal_Charge	0
740525	Defined_Atom_Stereo_Count	1
9795278	Undefined_Bond_Stereo_Count	0
13570	Structure_Complexity	39.2
138005	Non-hydrogen_Atom_Count	17
11656518	Rotatable_Bond_Count	5
10214380	Exact_Mass	109.052763847
65675	Undefined_Atom_Stereo_Count	0
156414	Total_Formal_Charge	0
97297	Molecular_Weight	392.15
57459433	Undefined_Bond_Stereo_Count	0
54587659	XLogP3-AA	4
260913	Covalent_Unit_Count	1
11750	Rotatable_Bond_Count	1
118460828	Molecular_Weight	104.15
21336418	Isotope_Atom_Count	0
101928367	Covalent_Unit_Count	1
57369253	Isotope_Atom_Count	6
38013	XLogP3	7.2
129633772	Exact_Mass	342.11621151
11523	Total_Formal_Charge	0
136808	Mono_Isotopic_Weight	182.109550447
13635	Covalent_Unit_Count	1
139759	Structure_Complexity	0
3512	Structure_Complexity	575
2142	Exact_Mass	585.28573644
64617	Isotope_Atom_Count	0
5288588	Hydrogen_Bond_Acceptor_Count	2
33498	Undefined_Bond_Stereo_Count	0
21026	Undefined_Bond_Stereo_Count	0
51049440	XLogP3-AA	0.6
131704262	Total_Formal_Charge	0
556051	Exact_Mass	106.041864811
458096	Rotatable_Bond_Count	13
1483	Non-hydrogen_Atom_Count	10
5281077	Structure_Complexity	154
24906119	Exact_Mass	420.11774960
748	Mono_Isotopic_Weight	387.04062148
11966124	Total_Formal_Charge	0
59422203	TPSA	95.6
81450	Exact_Mass	230.03612798
160332	Exact_Mass	287.058243149
287	Undefined_Atom_Stereo_Count	2
19017960	Hydrogen_Bond_Acceptor_Count	1
10582477	Mono_Isotopic_Weight	223.063328530
20576	Isotope_Atom_Count	0
23684339	Tautomer_Count	1
12309521	XLogP3	2.9
5478817	Mono_Isotopic_Weight	171.945894
65802	Undefined_Bond_Stereo_Count	0
23533634	Total_Formal_Charge	0
3960	Total_Formal_Charge	0
13573327	Hydrogen_Bond_Acceptor_Count	0
119584	Total_Formal_Charge	0
91711338	Mono_Isotopic_Weight	302.224580195
45266503	Defined_Bond_Stereo_Count	0
22674	Rotatable_Bond_Count	6
51951	Isotope_Atom_Count	0
91696191	Non-hydrogen_Atom_Count	14
102614	Isotope_Atom_Count	0
4961823	Exact_Mass	102.079312947
20847	Non-hydrogen_Atom_Count	24
59189978	Undefined_Atom_Stereo_Count	0
14181	Rotatable_Bond_Count	5
155893624	Exact_Mass	109.052763847
85382	Rotatable_Bond_Count	4
103451287	Mono_Isotopic_Weight	118.062994177
2020	Isotope_Atom_Count	0
70647795	Hydrogen_Bond_Acceptor_Count	1
73115	Structure_Complexity	413
85912645	Mono_Isotopic_Weight	98.036779430
84088	Undefined_Atom_Stereo_Count	0
97740	Covalent_Unit_Count	1
23665763	Hydrogen_Bond_Donor_Count	1
65718	Undefined_Bond_Stereo_Count	0
138125	Undefined_Atom_Stereo_Count	1
8168	Exact_Mass	213.245649993
62416539	XLogP3-AA	0.5
622688	Undefined_Bond_Stereo_Count	0
56834579	Covalent_Unit_Count	1
9861	Rotatable_Bond_Count	17
2110	TPSA	83.6
528405	XLogP3-AA	1.6
6442778	TPSA	57.5
34696	Undefined_Bond_Stereo_Count	0
12266	Exact_Mass	96.057514874
60196335	Covalent_Unit_Count	2
72323	Structure_Complexity	461
128814	Defined_Bond_Stereo_Count	0
71180	TPSA	83.4
12749134	Mono_Isotopic_Weight	115.063328530
221387	Total_Formal_Charge	0
286595	Undefined_Atom_Stereo_Count	0
16404350	Defined_Atom_Stereo_Count	3
2950966	Hydrogen_Bond_Acceptor_Count	3
25101755	Covalent_Unit_Count	1
21520336	Undefined_Bond_Stereo_Count	0
57396593	Undefined_Atom_Stereo_Count	0
71597331	Non-hydrogen_Atom_Count	36
12642	Exact_Mass	106.0185425
11051587	Hydrogen_Bond_Donor_Count	0
5250455	Total_Formal_Charge	0
5109	Defined_Bond_Stereo_Count	0
11773	Hydrogen_Bond_Acceptor_Count	0
76437	Exact_Mass	161.047678466
16412	Defined_Bond_Stereo_Count	0
125889	Undefined_Atom_Stereo_Count	0
83735	Hydrogen_Bond_Donor_Count	2
23092834	Defined_Atom_Stereo_Count	0
53323370	Exact_Mass	498.1113126
69333614	Total_Formal_Charge	0
1234	Exact_Mass	484.29372238
23690430	Exact_Mass	190.01028425
31361	XLogP3-AA	1.4
22981451	Undefined_Bond_Stereo_Count	0
4739617	Isotope_Atom_Count	0
13217907	Rotatable_Bond_Count	1
984456	Defined_Atom_Stereo_Count	0
13327304	Defined_Atom_Stereo_Count	0
54192233	Total_Formal_Charge	0
19431	Undefined_Atom_Stereo_Count	0
1232	Covalent_Unit_Count	1
10839	Defined_Bond_Stereo_Count	0
89054492	Hydrogen_Bond_Acceptor_Count	2
12001831	Isotope_Atom_Count	0
15633846	Undefined_Atom_Stereo_Count	1
14875988	Defined_Atom_Stereo_Count	0
22954661	Hydrogen_Bond_Acceptor_Count	2
8554	Molecular_Weight	194.18
69952	XLogP3-AA	1.5
105039	Hydrogen_Bond_Acceptor_Count	3
146682529	Defined_Atom_Stereo_Count	2
53953608	Mono_Isotopic_Weight	114.104465066
40474	Exact_Mass	393.802494
7920	Structure_Complexity	128
31703	Covalent_Unit_Count	1
2775103	Mono_Isotopic_Weight	222.01399312
22833341	Total_Formal_Charge	0
135476770	Exact_Mass	257.11240398
89769287	Hydrogen_Bond_Acceptor_Count	2
8422	Molecular_Weight	202.21
13130	Covalent_Unit_Count	1
24183437	Hydrogen_Bond_Donor_Count	4
91664033	Hydrogen_Bond_Donor_Count	30
135430970	Defined_Bond_Stereo_Count	0
13748845	Exact_Mass	405.21403034
52948146	Total_Formal_Charge	0
20132002	Mono_Isotopic_Weight	82.053098200
139243813	Undefined_Bond_Stereo_Count	0
66171	TPSA	17.8
3388710	Isotope_Atom_Count	0
139061810	Defined_Bond_Stereo_Count	0
7712	Mono_Isotopic_Weight	162.068079557
9868	Non-hydrogen_Atom_Count	5
145961	Defined_Atom_Stereo_Count	0
20517187	Non-hydrogen_Atom_Count	8
853433	Isotope_Atom_Count	0
24635	Hydrogen_Bond_Acceptor_Count	2
59048761	Mono_Isotopic_Weight	342.11621151
3206	Hydrogen_Bond_Acceptor_Count	5
12386	Hydrogen_Bond_Acceptor_Count	2
22753607	Structure_Complexity	139
11217523	Hydrogen_Bond_Acceptor_Count	2
18355900	Defined_Atom_Stereo_Count	0
30380	Defined_Atom_Stereo_Count	0
54548956	Defined_Bond_Stereo_Count	0
5364448	Isotope_Atom_Count	0
129864959	Exact_Mass	292.10341969
582056	Undefined_Bond_Stereo_Count	0
46437	TPSA	29.1
534439	TPSA	9.2
129769827	Exact_Mass	84.068748264
54311720	Hydrogen_Bond_Donor_Count	1
79724	Undefined_Atom_Stereo_Count	0
15070	Covalent_Unit_Count	1
83335	Rotatable_Bond_Count	2
66417	Hydrogen_Bond_Acceptor_Count	3
71624343	Undefined_Bond_Stereo_Count	0
135398633	Molecular_Weight	523.18
16212317	Mono_Isotopic_Weight	405.1343006
104775	Isotope_Atom_Count	0
11005	Hydrogen_Bond_Acceptor_Count	2
49865922	Non-hydrogen_Atom_Count	26
67085	Undefined_Bond_Stereo_Count	0
146681110	Molecular_Weight	1022.2
11957587	Defined_Atom_Stereo_Count	20
154518019	Hydrogen_Bond_Donor_Count	1
29385	Covalent_Unit_Count	1
9298	Non-hydrogen_Atom_Count	16
4171	Exact_Mass	267.18344366
9994296	Defined_Bond_Stereo_Count	0
117891679	TPSA	17.1
29393	TPSA	163
6604557	Undefined_Bond_Stereo_Count	0
138041	Non-hydrogen_Atom_Count	2
21997068	Mono_Isotopic_Weight	102.115698455
6427110	XLogP3-AA	4.6
11852	Defined_Bond_Stereo_Count	0
10108847	Isotope_Atom_Count	0
102089288	Total_Formal_Charge	0
206567	Undefined_Atom_Stereo_Count	0
30541	TPSA	29.5
24181146	TPSA	161
53484290	Non-hydrogen_Atom_Count	8
16683023	Rotatable_Bond_Count	4
12452048	Total_Formal_Charge	0
53237541	TPSA	68
35823	XLogP3	7.1
135457035	Undefined_Bond_Stereo_Count	0
18628727	TPSA	66.4
91980486	Covalent_Unit_Count	2
53321036	Molecular_Weight	270.33
36552	Structure_Complexity	744
10680	Molecular_Weight	222.24
16220118	Hydrogen_Bond_Acceptor_Count	3
54324318	Covalent_Unit_Count	1
12285856	Mono_Isotopic_Weight	181.06966484
2795115	Hydrogen_Bond_Acceptor_Count	2
84647665	Structure_Complexity	134
101944071	Hydrogen_Bond_Acceptor_Count	4
87870867	Covalent_Unit_Count	1
236115	Defined_Bond_Stereo_Count	0
45357585	Undefined_Atom_Stereo_Count	0
6611744	Isotope_Atom_Count	0
150748	Hydrogen_Bond_Donor_Count	0
445468	Total_Formal_Charge	0
56020	Covalent_Unit_Count	1
79680	Non-hydrogen_Atom_Count	7
99858	Tautomer_Count	24
154285117	Covalent_Unit_Count	1
517	Undefined_Atom_Stereo_Count	4
129694674	Hydrogen_Bond_Acceptor_Count	1
45266540	Defined_Atom_Stereo_Count	5
518469	Defined_Bond_Stereo_Count	0
12317881	Undefined_Atom_Stereo_Count	0
80654	Non-hydrogen_Atom_Count	10
15774	Mono_Isotopic_Weight	481.20108287
61208	XLogP3-AA	1
8371	Exact_Mass	245.862290
22906680	Hydrogen_Bond_Acceptor_Count	1
284950	Covalent_Unit_Count	1
94599	Total_Formal_Charge	0
53788450	Defined_Bond_Stereo_Count	0
5878	Molecular_Weight	306.4
50515	TPSA	66.6
6920223	Defined_Atom_Stereo_Count	0
12303662	Defined_Bond_Stereo_Count	0
86873	Undefined_Atom_Stereo_Count	1
53232451	Undefined_Atom_Stereo_Count	0
80566	Exact_Mass	184.9799046
171527	TPSA	21.7
135270107	Non-hydrogen_Atom_Count	8
71360	Defined_Bond_Stereo_Count	0
66868	Defined_Atom_Stereo_Count	0
85335	XLogP3-AA	1.6
534439	Exact_Mass	114.104465066
57514685	Hydrogen_Bond_Donor_Count	4
13260750	XLogP3-AA	0.6
762967	Hydrogen_Bond_Donor_Count	1
57082	Hydrogen_Bond_Acceptor_Count	4
145603244	Undefined_Atom_Stereo_Count	2
6580	Covalent_Unit_Count	1
7153	Non-hydrogen_Atom_Count	14
139211202	XLogP3-AA	4.2
44724350	TPSA	36.9
216262	Molecular_Weight	399.5
12452048	Exact_Mass	112.088815002
46832769	Molecular_Weight	182.22
54929	Rotatable_Bond_Count	6
54173839	Rotatable_Bond_Count	2
545317	Mono_Isotopic_Weight	226.12050905
3858	Structure_Complexity	231
4121	TPSA	126
154790040	Covalent_Unit_Count	1
10942371	Covalent_Unit_Count	1
71496458	Isotope_Atom_Count	0
90547	Mono_Isotopic_Weight	188.0352552
72187527	Hydrogen_Bond_Acceptor_Count	5
13964915	Structure_Complexity	745
10364560	Structure_Complexity	565
136255	Hydrogen_Bond_Acceptor_Count	3
57393451	Isotope_Atom_Count	0
91439	Undefined_Bond_Stereo_Count	0
25014075	Hydrogen_Bond_Acceptor_Count	1
57340472	Isotope_Atom_Count	0
7232	Covalent_Unit_Count	1
4057	Rotatable_Bond_Count	5
15188270	XLogP3-AA	0.6
25217563	TPSA	70.7
3463	TPSA	46.5
66051	Undefined_Bond_Stereo_Count	0
251219	Undefined_Atom_Stereo_Count	1
6921	Hydrogen_Bond_Acceptor_Count	3
72177	XLogP3-AA	5
71584541	Hydrogen_Bond_Acceptor_Count	6
221961	XLogP3-AA	0.6
7098617	Isotope_Atom_Count	0
10820489	Undefined_Atom_Stereo_Count	0
10239891	Covalent_Unit_Count	1
122724	Total_Formal_Charge	0
133562634	Undefined_Atom_Stereo_Count	0
551493	Total_Formal_Charge	0
312915	Exact_Mass	473.24135246
9949848	Total_Formal_Charge	0
3074827	Molecular_Weight	256.34
5284503	Covalent_Unit_Count	1
68689	Defined_Atom_Stereo_Count	0
178	Defined_Atom_Stereo_Count	0
9908306	Non-hydrogen_Atom_Count	27
5483874	Hydrogen_Bond_Donor_Count	0
87323	Undefined_Bond_Stereo_Count	0
369373	Exact_Mass	348.25118886
33363	Mono_Isotopic_Weight	267.162314293
114905	Rotatable_Bond_Count	14
54684461	Exact_Mass	462.16383041
2734411	Exact_Mass	787.03934194
24848330	Exact_Mass	329.18651766
23703979	Hydrogen_Bond_Acceptor_Count	9
43	Undefined_Bond_Stereo_Count	0
6440352	Tautomer_Count	228
12463	Hydrogen_Bond_Acceptor_Count	0
11702	Undefined_Bond_Stereo_Count	0
4376	Isotope_Atom_Count	0
4460493	Covalent_Unit_Count	1
15276695	Exact_Mass	99.068413911
7366	Defined_Atom_Stereo_Count	0
7527	Isotope_Atom_Count	0
89811	Undefined_Bond_Stereo_Count	0
224167	Non-hydrogen_Atom_Count	21
70686471	Isotope_Atom_Count	0
845646	Hydrogen_Bond_Donor_Count	1
7124	Isotope_Atom_Count	0
15897928	Total_Formal_Charge	0
46841499	TPSA	139
52083990	Undefined_Atom_Stereo_Count	0
55113	Undefined_Atom_Stereo_Count	0
14577080	Total_Formal_Charge	0
49652	Total_Formal_Charge	0
145984	Exact_Mass	228.07462149
135403657	Molecular_Weight	522.20
11978451	Undefined_Atom_Stereo_Count	0
8258	Tautomer_Count	1
66475	Hydrogen_Bond_Acceptor_Count	4
137090	XLogP3-AA	1.6
23694217	Hydrogen_Bond_Donor_Count	2
21824035	Rotatable_Bond_Count	0
558889	Defined_Bond_Stereo_Count	0
78137849	Total_Formal_Charge	0
70120	Defined_Atom_Stereo_Count	0
13601826	Undefined_Atom_Stereo_Count	1
2783176	Mono_Isotopic_Weight	115.02335542
133556498	Structure_Complexity	896
78747	Defined_Atom_Stereo_Count	0
485083	Mono_Isotopic_Weight	98.084398327
62820	Exact_Mass	209.9606158
55416	Undefined_Bond_Stereo_Count	0
11412356	Total_Formal_Charge	0
14251	TPSA	0
62583	Molecular_Weight	170.25
3941	Total_Formal_Charge	0
10094429	Rotatable_Bond_Count	6
124524088	Covalent_Unit_Count	1
674188	Mono_Isotopic_Weight	333.11764973
56955185	Defined_Atom_Stereo_Count	0
66588767	XLogP3-AA	2.5
71541174	Non-hydrogen_Atom_Count	23
6437379	Rotatable_Bond_Count	6
89300333	Structure_Complexity	111
79783	XLogP3-AA	1.8
17779	Isotope_Atom_Count	0
91590871	Hydrogen_Bond_Acceptor_Count	3
23667630	Defined_Atom_Stereo_Count	3
60154328	Hydrogen_Bond_Acceptor_Count	7
6097177	Hydrogen_Bond_Acceptor_Count	6
17722	Defined_Bond_Stereo_Count	0
28030	Non-hydrogen_Atom_Count	8
537344	Defined_Atom_Stereo_Count	0
491941	TPSA	143
12731	Exact_Mass	148.023320
54375073	Defined_Atom_Stereo_Count	0
19777659	Covalent_Unit_Count	1
18728	Molecular_Weight	427.80
13653	Defined_Bond_Stereo_Count	0
104799	Exact_Mass	315.0750854
273577	TPSA	24.9
75994	Defined_Atom_Stereo_Count	0
151726	Undefined_Bond_Stereo_Count	0
445344	Defined_Bond_Stereo_Count	0
156618055	Molecular_Weight	342.30
8032	Undefined_Bond_Stereo_Count	0
82650946	Exact_Mass	115.063328530
551	Isotope_Atom_Count	0
521714	Molecular_Weight	112.17
11969465	Molecular_Weight	400.5
23080446	Mono_Isotopic_Weight	605.27458459
37243	Tautomer_Count	1
57255938	Non-hydrogen_Atom_Count	8
21953621	Mono_Isotopic_Weight	316.09468823
135564847	Rotatable_Bond_Count	24
9855350	TPSA	710
10273	Isotope_Atom_Count	0
77849	Mono_Isotopic_Weight	147.079647300
141366	Exact_Mass	91.042199164
27622	Non-hydrogen_Atom_Count	11
10334852	Rotatable_Bond_Count	6
449555	TPSA	428
71884	Tautomer_Count	48
71482	Hydrogen_Bond_Acceptor_Count	7
29228	Undefined_Atom_Stereo_Count	0
24096961	Molecular_Weight	324.4
154354742	Rotatable_Bond_Count	3
82153	Isotope_Atom_Count	0
3062280	Undefined_Bond_Stereo_Count	0
2795425	Rotatable_Bond_Count	0
994360	Mono_Isotopic_Weight	410.13002836
4132	Undefined_Bond_Stereo_Count	0
2735228	Non-hydrogen_Atom_Count	8
49836020	Undefined_Bond_Stereo_Count	0
3363251	Hydrogen_Bond_Acceptor_Count	2
73353577	Defined_Bond_Stereo_Count	0
60196377	Structure_Complexity	110
47510	Mono_Isotopic_Weight	220.13241115
67873	Defined_Bond_Stereo_Count	0
25169382	Rotatable_Bond_Count	3
562362	Rotatable_Bond_Count	3
54765302	Total_Formal_Charge	0
60191	Non-hydrogen_Atom_Count	40
25600	Exact_Mass	193.05613515
76335	Rotatable_Bond_Count	2
54023646	Undefined_Atom_Stereo_Count	1
66359	Undefined_Atom_Stereo_Count	0
8667	Defined_Bond_Stereo_Count	0
53774272	Hydrogen_Bond_Acceptor_Count	1
11423561	Molecular_Weight	97.12
11372270	Molecular_Weight	375.3
20527	Defined_Atom_Stereo_Count	0
25001002	Undefined_Atom_Stereo_Count	0
69147	Total_Formal_Charge	0
517922	Total_Formal_Charge	0
3406	Hydrogen_Bond_Donor_Count	1
44558536	Mono_Isotopic_Weight	373.1808568
3751958	Total_Formal_Charge	1
5151436	Exact_Mass	96.057514874
53484514	Hydrogen_Bond_Acceptor_Count	3
10780	Undefined_Atom_Stereo_Count	0
101365708	Molecular_Weight	113.12
101744	XLogP3	2.7
20838642	Mono_Isotopic_Weight	391.0741989
124174523	Isotope_Atom_Count	0
14494974	XLogP3-AA	0.9
630635	Hydrogen_Bond_Donor_Count	0
446201	Non-hydrogen_Atom_Count	49
26111	XLogP3-AA	8
10441670	Structure_Complexity	77.7
149798	Hydrogen_Bond_Acceptor_Count	2
163143	Hydrogen_Bond_Acceptor_Count	10
139243814	Hydrogen_Bond_Acceptor_Count	0
4413	Defined_Bond_Stereo_Count	0
7422	Total_Formal_Charge	0
15702063	Rotatable_Bond_Count	0
8878	XLogP3-AA	3.2
139001	Tautomer_Count	2
78106	Tautomer_Count	1
622606	XLogP3	4.7
90753995	Isotope_Atom_Count	0
61220	Non-hydrogen_Atom_Count	11
4691	XLogP3-AA	3.5
101561	Covalent_Unit_Count	1
77245	Molecular_Weight	206.28
132035918	Hydrogen_Bond_Donor_Count	4
20775240	Mono_Isotopic_Weight	130.123189134
53319933	Molecular_Weight	242.30
4739262	Structure_Complexity	475
547696	XLogP3-AA	1.6
10061651	Non-hydrogen_Atom_Count	17
19868	Isotope_Atom_Count	0
3038501	Mono_Isotopic_Weight	333.13247072
24715	Isotope_Atom_Count	0
53785673	Defined_Atom_Stereo_Count	0
53485229	Undefined_Atom_Stereo_Count	0
71721420	Non-hydrogen_Atom_Count	8
19589	Tautomer_Count	1
140796896	Total_Formal_Charge	0
26361	Total_Formal_Charge	0
825877	Undefined_Bond_Stereo_Count	0
130124973	Isotope_Atom_Count	0
118011485	Structure_Complexity	415
2775003	Molecular_Weight	115.13
126968495	Structure_Complexity	1370
23675349	Rotatable_Bond_Count	4
66219	Isotope_Atom_Count	0
65258	Undefined_Atom_Stereo_Count	0
134824657	Non-hydrogen_Atom_Count	38
72199784	Structure_Complexity	626
46910592	Undefined_Atom_Stereo_Count	0
73947328	Exact_Mass	179.07937252
10866836	Total_Formal_Charge	0
19013934	Isotope_Atom_Count	0
11084586	Undefined_Bond_Stereo_Count	0
586156	Undefined_Atom_Stereo_Count	0
54915	XLogP3-AA	6.2
54594759	Molecular_Weight	99.13
3548422	Isotope_Atom_Count	0
2781	Structure_Complexity	376
8051	Structure_Complexity	66.8
179697	Undefined_Bond_Stereo_Count	0
23663982	Hydrogen_Bond_Donor_Count	1
836	Hydrogen_Bond_Acceptor_Count	5
73415770	Defined_Bond_Stereo_Count	0
250716	Rotatable_Bond_Count	2
917	Exact_Mass	153.10144537
19137	XLogP3	1.7
44338773	TPSA	138
89976630	Structure_Complexity	124
23394557	TPSA	93.2
151177	Exact_Mass	404.25627424
257950	Structure_Complexity	160
18442760	Defined_Atom_Stereo_Count	0
6376436	Rotatable_Bond_Count	11
42602097	Molecular_Weight	424.9
14743344	Covalent_Unit_Count	1
12251749	Structure_Complexity	92.5
197712	Structure_Complexity	475
27436	Isotope_Atom_Count	0
12892799	TPSA	0
67279	Defined_Atom_Stereo_Count	0
22125	Defined_Bond_Stereo_Count	0
479503	Non-hydrogen_Atom_Count	21
21578704	Exact_Mass	330.15795719
49867325	Undefined_Atom_Stereo_Count	0
129689385	Exact_Mass	156.0481910
67511	Undefined_Bond_Stereo_Count	0
9548605	Undefined_Bond_Stereo_Count	0
15272297	Molecular_Weight	112.13
139060618	Undefined_Bond_Stereo_Count	0
123888456	Isotope_Atom_Count	0
69814	Total_Formal_Charge	0
135398579	Defined_Bond_Stereo_Count	0
1548887	XLogP3	3.4
19284	Isotope_Atom_Count	0
1412	Total_Formal_Charge	0
736858	Covalent_Unit_Count	1
10057477	Molecular_Weight	115.13
63939	Undefined_Atom_Stereo_Count	0
35775	Molecular_Weight	286.30
6426699	Rotatable_Bond_Count	2
79117672	Undefined_Bond_Stereo_Count	0
104143	TPSA	99
70688017	Defined_Atom_Stereo_Count	0
3292	Undefined_Atom_Stereo_Count	1
36690486	Undefined_Bond_Stereo_Count	0
84975	Defined_Atom_Stereo_Count	0
53869954	Isotope_Atom_Count	0
6432236	Isotope_Atom_Count	0
11421	Structure_Complexity	165
9164	Hydrogen_Bond_Acceptor_Count	0
11611	TPSA	0
96796	Molecular_Weight	160.17
5288018	Undefined_Bond_Stereo_Count	0
3824	Defined_Bond_Stereo_Count	0
9863	Structure_Complexity	10
16049374	Mono_Isotopic_Weight	481.1260618
13618	Mono_Isotopic_Weight	195.924948
66711	Molecular_Weight	238.31
71457269	Molecular_Weight	512.0
21779240	Undefined_Atom_Stereo_Count	0
192706	Non-hydrogen_Atom_Count	25
2064111	Molecular_Weight	106.13
854418	Defined_Atom_Stereo_Count	0
448014	Structure_Complexity	371
11550005	Undefined_Atom_Stereo_Count	2
17832308	Hydrogen_Bond_Donor_Count	1
24678	Undefined_Atom_Stereo_Count	0
3068143	Total_Formal_Charge	0
62651	Rotatable_Bond_Count	0
21947035	Molecular_Weight	159.20
83827	Defined_Atom_Stereo_Count	4
11180	Hydrogen_Bond_Donor_Count	0
44644	Defined_Atom_Stereo_Count	0
119373	Total_Formal_Charge	0
57328385	XLogP3-AA	4.9
18936148	Isotope_Atom_Count	0
79632	TPSA	216
46228506	Rotatable_Bond_Count	2
23649427	XLogP3-AA	2.2
25608	TPSA	0
3141	Defined_Atom_Stereo_Count	0
92921	Exact_Mass	390.18425212
289149	Covalent_Unit_Count	1
136888457	XLogP3-AA	3.6
18502	TPSA	29.4
521076	Exact_Mass	100.088815002
10614	Tautomer_Count	1
533876	Isotope_Atom_Count	0
39546	Isotope_Atom_Count	0
12304	Exact_Mass	102.104465066
2846928	Undefined_Atom_Stereo_Count	0
107280	Defined_Atom_Stereo_Count	0
136504	Molecular_Weight	97.09
100016	Exact_Mass	228.07462149
80788	Defined_Atom_Stereo_Count	0
124770289	Undefined_Atom_Stereo_Count	0
10248	Rotatable_Bond_Count	5
17894357	Hydrogen_Bond_Acceptor_Count	4
26058	TPSA	0
46207586	Defined_Atom_Stereo_Count	0
60663	Hydrogen_Bond_Donor_Count	1
74168	TPSA	38
14379924	Rotatable_Bond_Count	1
13757963	Defined_Bond_Stereo_Count	0
5282349	Exact_Mass	410.318480578
440918	Structure_Complexity	98.5
307976	Non-hydrogen_Atom_Count	8
5388949	Undefined_Atom_Stereo_Count	0
70684312	Total_Formal_Charge	0
65999	Covalent_Unit_Count	1
78383862	TPSA	74.6
649217	Covalent_Unit_Count	1
13085350	Isotope_Atom_Count	0
6456015	Tautomer_Count	53
21809327	Isotope_Atom_Count	0
17533	Non-hydrogen_Atom_Count	17
4645224	Hydrogen_Bond_Donor_Count	1
12828792	TPSA	33
439195	Covalent_Unit_Count	1
99478	Defined_Bond_Stereo_Count	0
224001	Rotatable_Bond_Count	2
7093	Total_Formal_Charge	0
758105	Hydrogen_Bond_Donor_Count	2
31195	Isotope_Atom_Count	0
17948845	TPSA	72.2
715	Undefined_Atom_Stereo_Count	4
46964	Hydrogen_Bond_Donor_Count	1
21702812	Hydrogen_Bond_Acceptor_Count	1
39034	Non-hydrogen_Atom_Count	32
24266	Non-hydrogen_Atom_Count	7
44318277	Rotatable_Bond_Count	4
123805	TPSA	380
863	XLogP3-AA	1
71812105	Hydrogen_Bond_Acceptor_Count	3
141282199	Covalent_Unit_Count	1
4332	Hydrogen_Bond_Acceptor_Count	4
21798491	Undefined_Atom_Stereo_Count	2
56670034	TPSA	74.7
1035	Rotatable_Bond_Count	12
10866300	Defined_Atom_Stereo_Count	0
44119980	Undefined_Bond_Stereo_Count	0
1074	TPSA	137
3199	Tautomer_Count	153
54321	XLogP3-AA	6.6
71459165	Covalent_Unit_Count	1
8788	Undefined_Bond_Stereo_Count	0
45256107	Exact_Mass	360.12224039
12219458	Isotope_Atom_Count	9
71544786	Exact_Mass	688.22492620
20624744	Hydrogen_Bond_Donor_Count	2
76538	Defined_Bond_Stereo_Count	0
23695324	Exact_Mass	305.99225140
40466887	Structure_Complexity	614
20874	Covalent_Unit_Count	1
15942892	Non-hydrogen_Atom_Count	22
657381	Non-hydrogen_Atom_Count	26
820	Undefined_Atom_Stereo_Count	24
11697219	Rotatable_Bond_Count	7
59665407	TPSA	120
6436661	Defined_Bond_Stereo_Count	2
12699170	Undefined_Atom_Stereo_Count	3
72200142	Non-hydrogen_Atom_Count	42
52361	Defined_Atom_Stereo_Count	0
53935056	Non-hydrogen_Atom_Count	7
5368396	XLogP3-AA	11
131315862	Total_Formal_Charge	0
9910975	Hydrogen_Bond_Acceptor_Count	12
42208	Tautomer_Count	2
3400822	Structure_Complexity	148
57224326	Isotope_Atom_Count	0
6437380	Undefined_Bond_Stereo_Count	0
34710	TPSA	29.5
64715	Tautomer_Count	2
17605	Non-hydrogen_Atom_Count	13
10290764	Molecular_Weight	112.13
69834	Structure_Complexity	103
125098	Defined_Atom_Stereo_Count	0
71403949	Undefined_Atom_Stereo_Count	0
10243599	Hydrogen_Bond_Acceptor_Count	4
6918653	Tautomer_Count	6
20349001	Structure_Complexity	88
667448	Structure_Complexity	457
129847163	Structure_Complexity	382
5534	Tautomer_Count	1
3003191	Total_Formal_Charge	0
5464084	Total_Formal_Charge	0
3017748	Isotope_Atom_Count	0
750284	Undefined_Atom_Stereo_Count	0
154103	Hydrogen_Bond_Acceptor_Count	5
866400	Covalent_Unit_Count	1
73364	TPSA	84.5
11017510	Hydrogen_Bond_Donor_Count	0
197942	Molecular_Weight	206.63
6435068	Rotatable_Bond_Count	11
15575619	Undefined_Bond_Stereo_Count	0
1364	XLogP3-AA	6.2
221145	Exact_Mass	100.052429494
135463451	Undefined_Bond_Stereo_Count	0
68512	Hydrogen_Bond_Donor_Count	2
69507	Rotatable_Bond_Count	7
13719374	TPSA	20.2
4936	Structure_Complexity	454
5283731	Structure_Complexity	655
5224	Mono_Isotopic_Weight	447.26929854
9576737	Total_Formal_Charge	0
19847	XLogP3-AA	0.2
18048	Covalent_Unit_Count	1
154169739	Covalent_Unit_Count	1
2634	Exact_Mass	544.99158054
36663	Isotope_Atom_Count	0
2452	Defined_Atom_Stereo_Count	0
70103	Rotatable_Bond_Count	0
53464	Undefined_Bond_Stereo_Count	0
152943	Covalent_Unit_Count	3
41114	Isotope_Atom_Count	0
90757603	Structure_Complexity	102
20767631	Defined_Atom_Stereo_Count	0
12271341	TPSA	12.5
149519	Molecular_Weight	348.4
139254656	Covalent_Unit_Count	1
10931378	Undefined_Bond_Stereo_Count	0
6324599	Structure_Complexity	1610
556685	Structure_Complexity	76.2
135621748	Hydrogen_Bond_Acceptor_Count	2
4306515	XLogP3-AA	5.1
85441390	TPSA	9.2
124249048	Mono_Isotopic_Weight	107.073499291
13528	Hydrogen_Bond_Acceptor_Count	1
43295	Total_Formal_Charge	0
9693	TPSA	10.2
2993	Isotope_Atom_Count	0
123604326	Hydrogen_Bond_Acceptor_Count	1
55285775	Rotatable_Bond_Count	1
1422	Total_Formal_Charge	0
90181814	Hydrogen_Bond_Acceptor_Count	2
49757967	Structure_Complexity	67.4
11416126	Hydrogen_Bond_Donor_Count	1
228397	Defined_Bond_Stereo_Count	0
5288075	XLogP3-AA	12.4
132596289	Mono_Isotopic_Weight	192.162648646
45934203	Rotatable_Bond_Count	9
11227182	Undefined_Atom_Stereo_Count	0
10785	Total_Formal_Charge	0
6440556	Exact_Mass	449.1005556
234117	Structure_Complexity	352
27648	Defined_Atom_Stereo_Count	0
8141	Undefined_Atom_Stereo_Count	0
61080	Hydrogen_Bond_Donor_Count	5
68928	Rotatable_Bond_Count	6
58473795	Undefined_Bond_Stereo_Count	0
22627013	Rotatable_Bond_Count	1
49869035	Defined_Bond_Stereo_Count	0
133169	Mono_Isotopic_Weight	294.11033829
36235	Hydrogen_Bond_Donor_Count	1
91884755	Rotatable_Bond_Count	6
135920954	Hydrogen_Bond_Acceptor_Count	7
34991	XLogP3-AA	1.9
87110	Covalent_Unit_Count	1
19239	Undefined_Bond_Stereo_Count	0
528603	Undefined_Bond_Stereo_Count	0
5484735	Exact_Mass	523.02901142
15276695	Hydrogen_Bond_Donor_Count	0
11320929	Exact_Mass	116.047344113
10931233	Hydrogen_Bond_Acceptor_Count	27
143817431	XLogP3-AA	0.1
9835868	Undefined_Atom_Stereo_Count	0
44526	Hydrogen_Bond_Donor_Count	0
160368576	Total_Formal_Charge	0
134587348	Exact_Mass	597.23450825
32446	Molecular_Weight	357.9
7669	Total_Formal_Charge	0
520148	XLogP3-AA	3.5
87149	Undefined_Bond_Stereo_Count	0
23662264	TPSA	23.1
11508600	Mono_Isotopic_Weight	352.12232057
11173546	Non-hydrogen_Atom_Count	21
16058317	Hydrogen_Bond_Acceptor_Count	19
22627013	Undefined_Bond_Stereo_Count	0
64142	Defined_Atom_Stereo_Count	5
9578570	Rotatable_Bond_Count	8
8125	Hydrogen_Bond_Acceptor_Count	0
78398	Molecular_Weight	198.72
135905454	Hydrogen_Bond_Acceptor_Count	5
70691434	Covalent_Unit_Count	1
52919826	Defined_Bond_Stereo_Count	0
443944	Rotatable_Bond_Count	5
1437819	Molecular_Weight	341.8
54393307	Total_Formal_Charge	0
93504	Total_Formal_Charge	0
5460044	Molecular_Weight	182.17
823	Hydrogen_Bond_Acceptor_Count	6
16091082	Defined_Bond_Stereo_Count	0
5249	Undefined_Atom_Stereo_Count	0
4489	Undefined_Atom_Stereo_Count	19
67568	Defined_Atom_Stereo_Count	0
60168629	Hydrogen_Bond_Donor_Count	1
11065	Non-hydrogen_Atom_Count	22
146646427	Non-hydrogen_Atom_Count	8
46906035	Defined_Bond_Stereo_Count	0
590907	Rotatable_Bond_Count	0
132367	Hydrogen_Bond_Acceptor_Count	4
96237	Undefined_Atom_Stereo_Count	0
16129759	Undefined_Bond_Stereo_Count	0
16687470	Structure_Complexity	936
6327799	Non-hydrogen_Atom_Count	40
628202	Hydrogen_Bond_Acceptor_Count	10
25982	Hydrogen_Bond_Acceptor_Count	3
10974	Structure_Complexity	75.8
12771232	Molecular_Weight	114.10
22277879	Hydrogen_Bond_Donor_Count	0
54292	Mono_Isotopic_Weight	320.120115130
132277694	Structure_Complexity	93.9
37511	Molecular_Weight	103.16
95634	Non-hydrogen_Atom_Count	14
62881	Exact_Mass	656.34147767
3541	Defined_Bond_Stereo_Count	0
11080426	Mono_Isotopic_Weight	299.17193023
5280378	TPSA	55.8
6022	Structure_Complexity	638
7949	Hydrogen_Bond_Donor_Count	1
25271781	Rotatable_Bond_Count	4
12202794	Non-hydrogen_Atom_Count	8
14464334	Total_Formal_Charge	0
13610389	Non-hydrogen_Atom_Count	7
74802	Covalent_Unit_Count	1
137430	Undefined_Bond_Stereo_Count	0
60155273	Molecular_Weight	474.6
76092	Non-hydrogen_Atom_Count	11
749824	Covalent_Unit_Count	1
129913833	Rotatable_Bond_Count	1
13649426	Rotatable_Bond_Count	2
13025413	Exact_Mass	116.047344113
4649906	TPSA	26.8
6850789	Undefined_Atom_Stereo_Count	0
4479094	Defined_Bond_Stereo_Count	0
20585	Defined_Bond_Stereo_Count	0
340026	Hydrogen_Bond_Acceptor_Count	6
15158	Hydrogen_Bond_Donor_Count	0
85963	Covalent_Unit_Count	1
146921	Defined_Atom_Stereo_Count	0
117488	Structure_Complexity	330
14118154	Defined_Atom_Stereo_Count	0
6427476	Total_Formal_Charge	0
78368	Undefined_Atom_Stereo_Count	0
53988715	Hydrogen_Bond_Acceptor_Count	3
132327702	Non-hydrogen_Atom_Count	8
8094	Defined_Atom_Stereo_Count	0
78398	Defined_Atom_Stereo_Count	0
140551	Isotope_Atom_Count	0
445892	Total_Formal_Charge	0
2062	Rotatable_Bond_Count	6
161166	Isotope_Atom_Count	0
91686	Hydrogen_Bond_Donor_Count	0
129913833	Undefined_Bond_Stereo_Count	0
6420378	Non-hydrogen_Atom_Count	7
20055424	XLogP3-AA	2.7
67125854	Undefined_Atom_Stereo_Count	0
52945794	Undefined_Bond_Stereo_Count	1
119069	Defined_Bond_Stereo_Count	0
93357	Isotope_Atom_Count	0
12727651	Defined_Atom_Stereo_Count	0
3853312	Undefined_Atom_Stereo_Count	0
101906815	Hydrogen_Bond_Donor_Count	0
301520	XLogP3-AA	3.4
30913	Hydrogen_Bond_Acceptor_Count	5
62118	Structure_Complexity	59.5
2593	Mono_Isotopic_Weight	615.29630113
17807203	Rotatable_Bond_Count	2
129803162	Undefined_Bond_Stereo_Count	0
227456	Defined_Atom_Stereo_Count	0
808817	Undefined_Bond_Stereo_Count	0
66711	Mono_Isotopic_Weight	238.134422523
15927	Tautomer_Count	1
5370664	Total_Formal_Charge	0
15614042	Isotope_Atom_Count	0
398596	Isotope_Atom_Count	0
69341007	Hydrogen_Bond_Acceptor_Count	2
85787452	Structure_Complexity	134
23435	Hydrogen_Bond_Donor_Count	1
83669186	Non-hydrogen_Atom_Count	8
18769664	Undefined_Bond_Stereo_Count	0
96563	Hydrogen_Bond_Acceptor_Count	8
60195813	Isotope_Atom_Count	0
135402037	Exact_Mass	268.08076950
57501504	Non-hydrogen_Atom_Count	47
59871564	TPSA	56
1551097	Exact_Mass	273.00689880
7892	Defined_Atom_Stereo_Count	0
89578803	Rotatable_Bond_Count	0
147912	XLogP3	4.6
130904	Defined_Atom_Stereo_Count	5
12343986	Hydrogen_Bond_Acceptor_Count	2
19089	Rotatable_Bond_Count	3
439184	Undefined_Bond_Stereo_Count	0
713762	Undefined_Atom_Stereo_Count	0
19354533	TPSA	9.2
31285	Non-hydrogen_Atom_Count	9
15739357	Hydrogen_Bond_Donor_Count	0
6429278	Non-hydrogen_Atom_Count	8
6992086	Total_Formal_Charge	0
181138	Defined_Atom_Stereo_Count	0
73229	Covalent_Unit_Count	1
11637	Molecular_Weight	67.52
56682411	Isotope_Atom_Count	0
640180	Defined_Atom_Stereo_Count	0
68289010	Undefined_Atom_Stereo_Count	0
6918663	Exact_Mass	401.0634615
52941030	TPSA	91.7
17190	Undefined_Bond_Stereo_Count	0
414243	Structure_Complexity	72.8
472812	Mono_Isotopic_Weight	243.0523023
69967	Covalent_Unit_Count	1
65341	Hydrogen_Bond_Donor_Count	1
12326432	Hydrogen_Bond_Acceptor_Count	2
12746998	Covalent_Unit_Count	1
8055	Non-hydrogen_Atom_Count	8
11859	Hydrogen_Bond_Acceptor_Count	1
101621558	Structure_Complexity	489
10160238	Isotope_Atom_Count	0
556998	Defined_Atom_Stereo_Count	0
98231	Non-hydrogen_Atom_Count	9
6435207	Exact_Mass	400.18858861
13861740	Non-hydrogen_Atom_Count	8
22909	Non-hydrogen_Atom_Count	21
10474339	Mono_Isotopic_Weight	370.0332044
4612	Mono_Isotopic_Weight	279.15829154
98051218	Undefined_Atom_Stereo_Count	0
10002668	Structure_Complexity	741
5370611	Tautomer_Count	3
14494973	Undefined_Atom_Stereo_Count	0
21466942	Total_Formal_Charge	0
9918581	Hydrogen_Bond_Donor_Count	4
96476	Hydrogen_Bond_Acceptor_Count	1
126437	XLogP3-AA	2.2
1333	Undefined_Bond_Stereo_Count	0
69334703	Structure_Complexity	65.1
71433	Defined_Bond_Stereo_Count	0
60154328	Mono_Isotopic_Weight	285.13380813
36034	Isotope_Atom_Count	0
21943994	Hydrogen_Bond_Acceptor_Count	11
21691039	Defined_Atom_Stereo_Count	0
8566	Tautomer_Count	6
69663	TPSA	26
129229305	Undefined_Bond_Stereo_Count	0
21602045	Hydrogen_Bond_Donor_Count	2
68343	Mono_Isotopic_Weight	200.0174972
6324663	Defined_Atom_Stereo_Count	7
15267068	Structure_Complexity	103
656575	Structure_Complexity	1050
21901092	Exact_Mass	97.016378338
65905	Non-hydrogen_Atom_Count	23
458645	Exact_Mass	418.2512821
23545756	Total_Formal_Charge	0
22125	Isotope_Atom_Count	0
16421	Rotatable_Bond_Count	5
26117	Molecular_Weight	176.17
67125	Undefined_Atom_Stereo_Count	0
162349	Rotatable_Bond_Count	6
31352	Exact_Mass	254.13655304
117957810	Defined_Atom_Stereo_Count	0
44443939	TPSA	164
2723854	Structure_Complexity	877
680	Covalent_Unit_Count	1
18924037	Non-hydrogen_Atom_Count	8
701621	XLogP3-AA	3.1
66156	Exact_Mass	203.9576748
5501	Rotatable_Bond_Count	4
12245594	Total_Formal_Charge	0
5330175	Non-hydrogen_Atom_Count	31
7020128	Defined_Atom_Stereo_Count	1
72200110	Defined_Atom_Stereo_Count	0
139149	Defined_Bond_Stereo_Count	0
31472	Tautomer_Count	1
65300	TPSA	29.1
120942	Total_Formal_Charge	4
6420138	Isotope_Atom_Count	0
90654313	Total_Formal_Charge	0
601401	Hydrogen_Bond_Donor_Count	0
650572	Defined_Bond_Stereo_Count	0
444215	Covalent_Unit_Count	1
5067511	Tautomer_Count	1
53432	Molecular_Weight	250.34
53921772	Rotatable_Bond_Count	1
85576	Hydrogen_Bond_Acceptor_Count	2
6604495	Hydrogen_Bond_Donor_Count	4
2771917	Mono_Isotopic_Weight	98.084398327
24191118	Structure_Complexity	2.8
8003	Defined_Atom_Stereo_Count	0
154689	Hydrogen_Bond_Acceptor_Count	4
90766	Structure_Complexity	130
4921	Rotatable_Bond_Count	23
676166	Undefined_Bond_Stereo_Count	0
445	Tautomer_Count	1
14319	Non-hydrogen_Atom_Count	12
8033	Exact_Mass	146.130679813
123561814	Defined_Bond_Stereo_Count	0
66384	Structure_Complexity	376
257	Isotope_Atom_Count	0
5352438	Structure_Complexity	139
274412	Exact_Mass	114.068079557
74406	Undefined_Atom_Stereo_Count	0
115811143	Mono_Isotopic_Weight	110.073164938
3611	Hydrogen_Bond_Donor_Count	1
444037	Exact_Mass	836.52456972
5208	Total_Formal_Charge	0
23265	Isotope_Atom_Count	0
394347	Defined_Bond_Stereo_Count	0
147543335	Mono_Isotopic_Weight	97.089149355
141545	Isotope_Atom_Count	0
77341	Total_Formal_Charge	0
4659387	Hydrogen_Bond_Donor_Count	2
6262	Structure_Complexity	95
194338	Rotatable_Bond_Count	4
16080117	Covalent_Unit_Count	1
10718	Structure_Complexity	338
15993	Hydrogen_Bond_Acceptor_Count	16
141379122	Total_Formal_Charge	0
3206	Hydrogen_Bond_Donor_Count	2
5094381	Mono_Isotopic_Weight	112.063662883
136790	Rotatable_Bond_Count	3
20276	Structure_Complexity	71.4
12387212	Isotope_Atom_Count	0
90019226	Structure_Complexity	47
289460	Defined_Bond_Stereo_Count	0
18206	TPSA	12.5
3976	Covalent_Unit_Count	1
133136	TPSA	59
91617740	Isotope_Atom_Count	0
5702698	Defined_Bond_Stereo_Count	3
91945062	Covalent_Unit_Count	1
56680334	Structure_Complexity	694
87664346	Covalent_Unit_Count	1
84998	Total_Formal_Charge	0
20578	TPSA	38.3
102361739	Total_Formal_Charge	0
5282200	Undefined_Atom_Stereo_Count	0
81058	Hydrogen_Bond_Donor_Count	1
413525	Mono_Isotopic_Weight	286.1236763
25114553	Defined_Bond_Stereo_Count	0
24944555	Exact_Mass	480.30680535
647893	Exact_Mass	427.15657746
19962896	Mono_Isotopic_Weight	96.068748264
47167	Covalent_Unit_Count	1
79691	Isotope_Atom_Count	0
14534553	Hydrogen_Bond_Donor_Count	2
81601	Covalent_Unit_Count	2
38980	Exact_Mass	298.1236763
1966	Rotatable_Bond_Count	19
25203894	Mono_Isotopic_Weight	682.11214
68647	Exact_Mass	329.1294900
132541087	Molecular_Weight	260.33
12369	Structure_Complexity	35.4
53731118	Covalent_Unit_Count	1
20087178	Undefined_Bond_Stereo_Count	0
123749022	Mono_Isotopic_Weight	86.084398327
133967	Mono_Isotopic_Weight	290.20459364
5284650	Mono_Isotopic_Weight	196.088815002
22600970	Defined_Bond_Stereo_Count	0
7115	Total_Formal_Charge	0
57131886	Hydrogen_Bond_Acceptor_Count	1
11005	Defined_Bond_Stereo_Count	0
14107712	Covalent_Unit_Count	1
66616	Hydrogen_Bond_Acceptor_Count	3
87220078	Structure_Complexity	121
456161	Covalent_Unit_Count	1
14958952	Isotope_Atom_Count	0
71773465	Non-hydrogen_Atom_Count	45
1335	Defined_Atom_Stereo_Count	0
705472	Exact_Mass	326.07903816
84141	Exact_Mass	285.018806
54511620	Exact_Mass	98.073164938
18087	Non-hydrogen_Atom_Count	11
849349	Defined_Atom_Stereo_Count	0
547790	Rotatable_Bond_Count	2
2529	Undefined_Atom_Stereo_Count	2
146158553	Non-hydrogen_Atom_Count	42
1470718	Covalent_Unit_Count	1
701038	Mono_Isotopic_Weight	318.00039
67258902	Isotope_Atom_Count	0
70917	Mono_Isotopic_Weight	182.130679813
4494	Tautomer_Count	5
44201343	Total_Formal_Charge	0
3869	Defined_Bond_Stereo_Count	0
96381	Exact_Mass	220.146329876
6433107	Isotope_Atom_Count	0
5770	Hydrogen_Bond_Donor_Count	1
17028077	Covalent_Unit_Count	1
2735172	Rotatable_Bond_Count	0
3816071	Mono_Isotopic_Weight	286.93329724
65612	Mono_Isotopic_Weight	354.17658463
5288101	Rotatable_Bond_Count	3
5497186	Defined_Bond_Stereo_Count	0
13226747	Hydrogen_Bond_Acceptor_Count	0
73755067	Defined_Atom_Stereo_Count	5
15801221	Undefined_Atom_Stereo_Count	0
16722522	Total_Formal_Charge	0
270840	Defined_Bond_Stereo_Count	0
54392998	TPSA	38.3
14667	Hydrogen_Bond_Donor_Count	1
14895680	Isotope_Atom_Count	0
9845837	Covalent_Unit_Count	1
14647552	Molecular_Weight	133.23
40467085	Non-hydrogen_Atom_Count	33
65562	Covalent_Unit_Count	1
5608	Undefined_Atom_Stereo_Count	15
86369	Hydrogen_Bond_Donor_Count	1
202792	Hydrogen_Bond_Acceptor_Count	2
65092	Exact_Mass	90.01393598
28936	Defined_Bond_Stereo_Count	0
3085389	Undefined_Atom_Stereo_Count	1
3063	Undefined_Atom_Stereo_Count	5
3249	Molecular_Weight	396.6
123173	Mono_Isotopic_Weight	40.0313001276
145287	Non-hydrogen_Atom_Count	7
54530170	Defined_Atom_Stereo_Count	0
44517	Defined_Bond_Stereo_Count	0
81476	Undefined_Atom_Stereo_Count	0
5289289	TPSA	32.3
9143	TPSA	0
1471380	Rotatable_Bond_Count	4
171829	Exact_Mass	293.847903
140535901	Rotatable_Bond_Count	1
4418048	Structure_Complexity	93.1
20827794	Hydrogen_Bond_Acceptor_Count	0
2724192	Undefined_Atom_Stereo_Count	0
13487	Undefined_Atom_Stereo_Count	0
9819	Undefined_Atom_Stereo_Count	0
25244372	Undefined_Bond_Stereo_Count	0
56842108	Rotatable_Bond_Count	5
24776154	TPSA	82.6
378443	Defined_Atom_Stereo_Count	0
131125742	Hydrogen_Bond_Donor_Count	1
101	Isotope_Atom_Count	0
10675	Hydrogen_Bond_Acceptor_Count	4
123831	Defined_Bond_Stereo_Count	0
5353760	Hydrogen_Bond_Donor_Count	1
57461868	Mono_Isotopic_Weight	107.048347172
121207552	TPSA	20.2
54583964	XLogP3-AA	3.9
446286	Undefined_Atom_Stereo_Count	0
1578	Rotatable_Bond_Count	0
139075087	Undefined_Bond_Stereo_Count	0
93083	Hydrogen_Bond_Acceptor_Count	2
5283344	Non-hydrogen_Atom_Count	11
144381	Non-hydrogen_Atom_Count	10
5745206	Structure_Complexity	824
88180	Isotope_Atom_Count	0
101915880	Total_Formal_Charge	0
142106	Structure_Complexity	124
71459117	Mono_Isotopic_Weight	391.18959167
93804	Hydrogen_Bond_Acceptor_Count	7
80715	Total_Formal_Charge	0
75412563	Mono_Isotopic_Weight	433.71509
77064	Hydrogen_Bond_Acceptor_Count	2
3966	Molecular_Weight	234.38
377339	Hydrogen_Bond_Acceptor_Count	5
123966192	Isotope_Atom_Count	0
168076	Isotope_Atom_Count	0
38260	Structure_Complexity	977
6604183	Isotope_Atom_Count	0
129649958	Exact_Mass	111.043261792
10404073	Undefined_Atom_Stereo_Count	0
147684232	Rotatable_Bond_Count	1
74861	TPSA	0
9848	Hydrogen_Bond_Acceptor_Count	2
5997	Mono_Isotopic_Weight	386.354866087
2723854	Isotope_Atom_Count	0
5939	Non-hydrogen_Atom_Count	7
25137901	Exact_Mass	908.36010511
471895	Total_Formal_Charge	0
3003141	Molecular_Weight	354.3
140	Isotope_Atom_Count	0
72582	Mono_Isotopic_Weight	224.20009678
23034	Undefined_Bond_Stereo_Count	0
106228050	Total_Formal_Charge	0
11641	Hydrogen_Bond_Acceptor_Count	0
57302612	Non-hydrogen_Atom_Count	6
137240373	Structure_Complexity	2470
37631	Hydrogen_Bond_Acceptor_Count	3
62105	Covalent_Unit_Count	1
13493	Defined_Bond_Stereo_Count	0
25131330	TPSA	81.3
92838	Defined_Bond_Stereo_Count	0
7762	Undefined_Bond_Stereo_Count	0
289807	Undefined_Bond_Stereo_Count	0
89844	Molecular_Weight	558.0
70106	Exact_Mass	98.073164938
17745	Undefined_Atom_Stereo_Count	1
23680396	Undefined_Atom_Stereo_Count	2
16667711	Covalent_Unit_Count	1
18342355	Total_Formal_Charge	0
446845	Hydrogen_Bond_Donor_Count	1
18506428	Mono_Isotopic_Weight	118.062994177
28763	Tautomer_Count	2
10579	XLogP3-AA	7
107802	Covalent_Unit_Count	1
650625	Hydrogen_Bond_Donor_Count	1
86076173	Undefined_Atom_Stereo_Count	0
194670	Hydrogen_Bond_Acceptor_Count	3
52945260	Undefined_Bond_Stereo_Count	0
7982	Isotope_Atom_Count	0
98650	Tautomer_Count	1
118461690	Undefined_Atom_Stereo_Count	2
5513	Undefined_Atom_Stereo_Count	31
6429274	Defined_Bond_Stereo_Count	1
93768	Defined_Bond_Stereo_Count	0
91707	Covalent_Unit_Count	1
77568	Covalent_Unit_Count	1
25133381	Hydrogen_Bond_Acceptor_Count	5
92258	Isotope_Atom_Count	0
6207	Undefined_Bond_Stereo_Count	0
54288820	Molecular_Weight	118.13
535823	Rotatable_Bond_Count	1
10207842	Undefined_Atom_Stereo_Count	0
136114017	Structure_Complexity	952
2724259	Exact_Mass	1122.78526064
60569	Tautomer_Count	1
137735	Molecular_Weight	96.13
9877608	Total_Formal_Charge	0
134754219	Hydrogen_Bond_Acceptor_Count	12
6022	Molecular_Weight	427.20
882533	Hydrogen_Bond_Donor_Count	0
120507	Undefined_Bond_Stereo_Count	0
33311	Mono_Isotopic_Weight	297.15512091
776222	Undefined_Atom_Stereo_Count	0
94753	Mono_Isotopic_Weight	149.07014524
69280558	TPSA	61.4
57261612	Mono_Isotopic_Weight	109.063997236
10993649	XLogP3-AA	1.1
44359653	Exact_Mass	1264.59104382
10112	Undefined_Bond_Stereo_Count	0
129514	Tautomer_Count	4
67108207	Molecular_Weight	316.82
78422631	Hydrogen_Bond_Acceptor_Count	2
3080714	Tautomer_Count	53
67448671	Molecular_Weight	235.28
8454	Defined_Atom_Stereo_Count	0
75747	Defined_Atom_Stereo_Count	0
71586635	Non-hydrogen_Atom_Count	30
28932	Undefined_Bond_Stereo_Count	0
87689	Defined_Bond_Stereo_Count	0
63397	Undefined_Bond_Stereo_Count	0
84976	Hydrogen_Bond_Donor_Count	4
27447	XLogP3	0.6
39534	Mono_Isotopic_Weight	198.125594432
155087254	Rotatable_Bond_Count	15
23000709	Mono_Isotopic_Weight	99.043261792
156592059	Total_Formal_Charge	0
303892	Non-hydrogen_Atom_Count	18
54676715	Covalent_Unit_Count	1
55289386	Covalent_Unit_Count	1
58222505	XLogP3-AA	0.4
81803874	Defined_Atom_Stereo_Count	0
10767	Hydrogen_Bond_Donor_Count	0
61235	Defined_Bond_Stereo_Count	0
71308614	Hydrogen_Bond_Donor_Count	11
444863	TPSA	90.2
19621	Tautomer_Count	2
11850983	Molecular_Weight	291.5
9875384	Covalent_Unit_Count	1
3356829	Molecular_Weight	118.52
31378	Hydrogen_Bond_Acceptor_Count	6
2734040	Molecular_Weight	377.2
13159	Molecular_Weight	98.19
4712721	Structure_Complexity	206
10672195	Hydrogen_Bond_Acceptor_Count	4
102959	Exact_Mass	182.05790880
52355	Undefined_Bond_Stereo_Count	0
132941102	Isotope_Atom_Count	0
5081	Covalent_Unit_Count	1
19595920	Hydrogen_Bond_Donor_Count	0
2536	Molecular_Weight	398.4
12561970	Hydrogen_Bond_Donor_Count	0
6896	Structure_Complexity	80.6
3955599	Exact_Mass	124.99085481
13561	Total_Formal_Charge	0
23667626	Hydrogen_Bond_Acceptor_Count	26
230	Molecular_Weight	230.11
6041	Hydrogen_Bond_Acceptor_Count	3
137849	Total_Formal_Charge	0
26898	XLogP3-AA	3.4
11858	Undefined_Bond_Stereo_Count	0
694	Isotope_Atom_Count	0
135121972	Mono_Isotopic_Weight	364.0713660
16686268	Total_Formal_Charge	0
13362585	Defined_Atom_Stereo_Count	0
358	Total_Formal_Charge	0
91175918	Total_Formal_Charge	0
25195253	Mono_Isotopic_Weight	342.0746753
91419167	Total_Formal_Charge	0
7042	Structure_Complexity	178
12180	Non-hydrogen_Atom_Count	7
123190012	Exact_Mass	94.078250319
149697	Mono_Isotopic_Weight	373.14264148
130394	Molecular_Weight	409.4
23662871	Mono_Isotopic_Weight	492.01742078
6445786	Isotope_Atom_Count	0
2317	Isotope_Atom_Count	0
135410875	Hydrogen_Bond_Acceptor_Count	7
131748870	Molecular_Weight	69.86
145971	Tautomer_Count	3
25256833	Covalent_Unit_Count	1
439570	Tautomer_Count	5
562176	TPSA	35.5
84693	Defined_Bond_Stereo_Count	0
11315250	Structure_Complexity	527
10355	Total_Formal_Charge	0
59471599	Isotope_Atom_Count	0
117933223	Hydrogen_Bond_Donor_Count	0
58270057	Hydrogen_Bond_Acceptor_Count	2
245	Structure_Complexity	480
21534	Hydrogen_Bond_Donor_Count	2
46214236	Structure_Complexity	1660
644020	Rotatable_Bond_Count	0
60618	Tautomer_Count	1
361753	Isotope_Atom_Count	0
3778	Mono_Isotopic_Weight	230.141913202
20324725	Undefined_Bond_Stereo_Count	0
14720269	Mono_Isotopic_Weight	381.11230696
25273609	Molecular_Weight	388.9
316797	Covalent_Unit_Count	1
11253	Non-hydrogen_Atom_Count	6
56843375	Rotatable_Bond_Count	60
76973216	Tautomer_Count	1
12459572	Covalent_Unit_Count	1
93884	Structure_Complexity	270
181749	Structure_Complexity	52
87064200	Undefined_Atom_Stereo_Count	0
72332	Exact_Mass	545.26248182
60195903	Covalent_Unit_Count	1
12527495	Defined_Bond_Stereo_Count	0
20250	Non-hydrogen_Atom_Count	12
85254	Molecular_Weight	107.07
10470886	Mono_Isotopic_Weight	314.14912384
91181590	Mono_Isotopic_Weight	303.14705815
57229732	Non-hydrogen_Atom_Count	8
13728409	Total_Formal_Charge	0
4175	XLogP3	5.2
11416	Covalent_Unit_Count	1
10866285	Mono_Isotopic_Weight	110.084398327
46926360	Hydrogen_Bond_Acceptor_Count	7
751496	Isotope_Atom_Count	0
445344	Mono_Isotopic_Weight	893.21967532
70589	Total_Formal_Charge	0
574495	Structure_Complexity	682
54507095	Non-hydrogen_Atom_Count	8
42317	Exact_Mass	307.15320616
11932	Exact_Mass	284.0847040
12958096	Molecular_Weight	128.18
91181590	Total_Formal_Charge	0
98416	Isotope_Atom_Count	0
57383474	TPSA	76.3
74454	Hydrogen_Bond_Acceptor_Count	2
13559279	Molecular_Weight	433.6
23677992	Undefined_Atom_Stereo_Count	0
439498	Isotope_Atom_Count	0
67184	Defined_Bond_Stereo_Count	0
443118	Isotope_Atom_Count	0
2021	Defined_Bond_Stereo_Count	0
4075159	Structure_Complexity	446
56927704	Non-hydrogen_Atom_Count	53
20448998	TPSA	52
88729	Defined_Atom_Stereo_Count	0
8221	Total_Formal_Charge	0
135489810	Exact_Mass	113.058911855
24827	Rotatable_Bond_Count	4
21973793	Rotatable_Bond_Count	0
140672839	Structure_Complexity	853
126480242	Non-hydrogen_Atom_Count	28
57401681	Undefined_Atom_Stereo_Count	0
62802	Undefined_Atom_Stereo_Count	0
97865	Rotatable_Bond_Count	4
7487	TPSA	62.9
23684571	Hydrogen_Bond_Acceptor_Count	4
11858154	Undefined_Atom_Stereo_Count	0
10476254	Total_Formal_Charge	0
5284540	Hydrogen_Bond_Acceptor_Count	7
3036974	Undefined_Bond_Stereo_Count	0
17756794	Covalent_Unit_Count	2
4489	Structure_Complexity	1230
21863620	Undefined_Bond_Stereo_Count	0
12299881	Defined_Atom_Stereo_Count	4
9952446	Rotatable_Bond_Count	7
68723	Hydrogen_Bond_Donor_Count	1
63346	Defined_Bond_Stereo_Count	0
23663409	Molecular_Weight	374.16
2736256	Isotope_Atom_Count	0
67409219	Defined_Bond_Stereo_Count	0
95876	Molecular_Weight	352.7
6428	Defined_Atom_Stereo_Count	0
132327702	Undefined_Atom_Stereo_Count	1
6917778	TPSA	46.3
66091	TPSA	92
5487888	Covalent_Unit_Count	1
21684469	Defined_Atom_Stereo_Count	0
445071	Total_Formal_Charge	0
139336513	Molecular_Weight	112.17
73700849	Undefined_Atom_Stereo_Count	0
20067437	Covalent_Unit_Count	1
2963764	Covalent_Unit_Count	1
8525	Defined_Atom_Stereo_Count	0
25201603	TPSA	292
123242204	Molecular_Weight	114.14
12068306	Defined_Bond_Stereo_Count	0
141008392	Total_Formal_Charge	0
715447	Non-hydrogen_Atom_Count	21
20727	Structure_Complexity	63.5
10866295	TPSA	52
6327546	Molecular_Weight	233.18
3272524	Exact_Mass	336.01645516
102491	Molecular_Weight	158.24
14366842	Mono_Isotopic_Weight	104.094963011
70682976	Mono_Isotopic_Weight	336.14739250
12590456	Non-hydrogen_Atom_Count	7
22001134	Exact_Mass	100.027277375
7668	Defined_Atom_Stereo_Count	0
689	Non-hydrogen_Atom_Count	28
6364620	XLogP3-AA	7.1
71583603	Structure_Complexity	558
657237	Non-hydrogen_Atom_Count	20
21467	Undefined_Atom_Stereo_Count	1
704528	Mono_Isotopic_Weight	280.08816355
297777	Mono_Isotopic_Weight	413.18383758
56963	Defined_Atom_Stereo_Count	0
44350128	Hydrogen_Bond_Acceptor_Count	3
21887872	Covalent_Unit_Count	2
9955534	Defined_Bond_Stereo_Count	0
12709	Hydrogen_Bond_Donor_Count	0
124769750	Molecular_Weight	284.35
398513	Hydrogen_Bond_Acceptor_Count	10
15683	Hydrogen_Bond_Donor_Count	0
1855	Undefined_Atom_Stereo_Count	0
92974077	Hydrogen_Bond_Acceptor_Count	3
9817381	Exact_Mass	287.20965841
10002900	XLogP3-AA	2.4
2734952	Covalent_Unit_Count	3
51029603	Total_Formal_Charge	0
84647662	TPSA	69.1
116021439	Non-hydrogen_Atom_Count	8
108032	Covalent_Unit_Count	1
123479258	Hydrogen_Bond_Acceptor_Count	1
13201	Covalent_Unit_Count	1
4476692	Undefined_Atom_Stereo_Count	3
44567097	Undefined_Bond_Stereo_Count	0
138375814	Isotope_Atom_Count	0
5363095	Covalent_Unit_Count	1
134008	Rotatable_Bond_Count	4
14297145	Non-hydrogen_Atom_Count	16
9961878	Tautomer_Count	54
69826668	XLogP3-AA	5.1
53786	Total_Formal_Charge	0
521928	Structure_Complexity	635
409474	Defined_Atom_Stereo_Count	0
12579106	Covalent_Unit_Count	1
86671471	Hydrogen_Bond_Donor_Count	2
10110	Covalent_Unit_Count	1
5462210	Defined_Bond_Stereo_Count	9
79316	Total_Formal_Charge	0
4630917	Exact_Mass	245.177964357
656673	Total_Formal_Charge	0
135430945	Covalent_Unit_Count	2
99453	Tautomer_Count	1
8453	Structure_Complexity	63.2
447508	Undefined_Bond_Stereo_Count	0
134754219	Mono_Isotopic_Weight	785.35235945
444698	Mono_Isotopic_Weight	393.10347926
146683214	Isotope_Atom_Count	0
618848	Hydrogen_Bond_Acceptor_Count	2
16106	Defined_Bond_Stereo_Count	0
77245	Structure_Complexity	218
9948896	Structure_Complexity	518
115140	Non-hydrogen_Atom_Count	21
70687322	Total_Formal_Charge	0
121904	Defined_Bond_Stereo_Count	0
9808	Tautomer_Count	1
75769	Covalent_Unit_Count	1
2910	Structure_Complexity	758
58051	Covalent_Unit_Count	1
102242	Tautomer_Count	2
123690360	Defined_Atom_Stereo_Count	0
101603227	Structure_Complexity	1410
18908	TPSA	9.2
92187	Rotatable_Bond_Count	1
64648	Total_Formal_Charge	0
14025	Undefined_Atom_Stereo_Count	0
87927	Rotatable_Bond_Count	4
8678	Non-hydrogen_Atom_Count	13
15615	Undefined_Atom_Stereo_Count	0
8305	Hydrogen_Bond_Donor_Count	0
701186	Isotope_Atom_Count	0
11983869	Covalent_Unit_Count	1
6917839	Hydrogen_Bond_Donor_Count	2
24685	Tautomer_Count	2
23678	Undefined_Atom_Stereo_Count	0
21162821	Undefined_Bond_Stereo_Count	0
13351	Hydrogen_Bond_Acceptor_Count	4
57369411	Hydrogen_Bond_Acceptor_Count	16
154517323	Total_Formal_Charge	0
10103794	TPSA	110
6066	Non-hydrogen_Atom_Count	24
14416612	Covalent_Unit_Count	1
179336	Hydrogen_Bond_Acceptor_Count	5
87425008	Mono_Isotopic_Weight	348.96256697
9538	TPSA	17.1
67591	Molecular_Weight	180.16
9914412	Defined_Atom_Stereo_Count	0
61140	Undefined_Bond_Stereo_Count	0
520301	TPSA	12
21576	Tautomer_Count	8
10899521	Undefined_Bond_Stereo_Count	0
26421	Defined_Atom_Stereo_Count	0
10975460	Non-hydrogen_Atom_Count	8
5699	Total_Formal_Charge	0
441236	Mono_Isotopic_Weight	746.31717767
854023	Hydrogen_Bond_Acceptor_Count	2
37251	Total_Formal_Charge	0
71449805	Molecular_Weight	305.4
13443454	Undefined_Bond_Stereo_Count	0
79323706	Hydrogen_Bond_Donor_Count	1
513	Rotatable_Bond_Count	5
450591	Isotope_Atom_Count	1
79425	Mono_Isotopic_Weight	215.976764
142914812	Structure_Complexity	70.5
23567201	Covalent_Unit_Count	1
24180686	Structure_Complexity	420
44590517	Non-hydrogen_Atom_Count	34
12213229	XLogP3-AA	3
11228026	Hydrogen_Bond_Acceptor_Count	6
40466884	Defined_Bond_Stereo_Count	0
56841013	Structure_Complexity	488
6432095	Hydrogen_Bond_Donor_Count	0
60196297	TPSA	86.8
27581	Defined_Bond_Stereo_Count	0
100937012	Defined_Bond_Stereo_Count	0
117217480	Defined_Bond_Stereo_Count	0
60452	Undefined_Atom_Stereo_Count	0
5284378	Rotatable_Bond_Count	4
447278	Undefined_Bond_Stereo_Count	0
15182658	Hydrogen_Bond_Acceptor_Count	2
17845026	Total_Formal_Charge	0
68938028	XLogP3-AA	4.2
19587	Tautomer_Count	2
7146283	Rotatable_Bond_Count	4
1560	Non-hydrogen_Atom_Count	19
519	Exact_Mass	258.01406892
53896476	Exact_Mass	135.104799419
65728	Defined_Atom_Stereo_Count	8
54393203	Undefined_Atom_Stereo_Count	0
16132344	Defined_Atom_Stereo_Count	45
5281232	Covalent_Unit_Count	1
14563	XLogP3-AA	3.4
5282251	Hydrogen_Bond_Acceptor_Count	10
561488	Molecular_Weight	106.16
49937	XLogP3-AA	1.4
18542107	Isotope_Atom_Count	0
68653619	Undefined_Bond_Stereo_Count	0
63784	Non-hydrogen_Atom_Count	22
23675242	Molecular_Weight	85.962
777	Rotatable_Bond_Count	1
6016	TPSA	28.5
135413497	Mono_Isotopic_Weight	264.98507
98047	Hydrogen_Bond_Donor_Count	1
64328	Hydrogen_Bond_Acceptor_Count	2
10417847	Defined_Atom_Stereo_Count	0
8944	Structure_Complexity	431
13427979	Hydrogen_Bond_Donor_Count	0
9889841	XLogP3-AA	6.5
37464	TPSA	41.5
72685	Rotatable_Bond_Count	3
134695356	XLogP3-AA	4.8
27182	TPSA	21.3
68036	Defined_Atom_Stereo_Count	0
135882	Non-hydrogen_Atom_Count	18
179336	Undefined_Bond_Stereo_Count	0
84621	Covalent_Unit_Count	1
74210	Undefined_Atom_Stereo_Count	0
5287541	Hydrogen_Bond_Acceptor_Count	6
10149453	TPSA	107
54808	Tautomer_Count	3
138231	Structure_Complexity	28.7
13933900	TPSA	35.3
7126	Hydrogen_Bond_Acceptor_Count	5
225936	TPSA	40.5
102138	Structure_Complexity	2.8
82335	Defined_Atom_Stereo_Count	1
9549904	Defined_Atom_Stereo_Count	3
7469	Hydrogen_Bond_Donor_Count	1
9939892	Tautomer_Count	4
11027582	Exact_Mass	506.97095
52997	Isotope_Atom_Count	0
93171	Hydrogen_Bond_Donor_Count	0
18669444	Covalent_Unit_Count	1
524681	Rotatable_Bond_Count	2
12745213	Non-hydrogen_Atom_Count	8
5148108	Hydrogen_Bond_Donor_Count	2
71457010	Rotatable_Bond_Count	5
12942137	Covalent_Unit_Count	1
88064	Exact_Mass	131.058243149
440728	Defined_Bond_Stereo_Count	0
19838382	Structure_Complexity	103
85296	Rotatable_Bond_Count	4
20298629	Non-hydrogen_Atom_Count	13
15512	Isotope_Atom_Count	0
120081	Undefined_Atom_Stereo_Count	0
6439420	Undefined_Atom_Stereo_Count	0
13809010	Defined_Atom_Stereo_Count	0
5420	Structure_Complexity	336
4895	Structure_Complexity	827
11496886	Hydrogen_Bond_Donor_Count	3
141260926	Rotatable_Bond_Count	0
61749380	Mono_Isotopic_Weight	112.088815002
14459508	Undefined_Atom_Stereo_Count	1
88423	Exact_Mass	163.110947427
763185	Exact_Mass	254.178298710
470202	XLogP3	2.8
11300765	Rotatable_Bond_Count	0
446167	Defined_Atom_Stereo_Count	0
135705228	Defined_Atom_Stereo_Count	0
5479529	Structure_Complexity	798
61868	Hydrogen_Bond_Acceptor_Count	2
4377	Hydrogen_Bond_Donor_Count	2
3081743	Total_Formal_Charge	0
40279	Hydrogen_Bond_Acceptor_Count	4
6971042	Covalent_Unit_Count	1
39521	Molecular_Weight	249.31
19731	Rotatable_Bond_Count	4
3081905	Non-hydrogen_Atom_Count	96
82055	Undefined_Bond_Stereo_Count	0
18622	Undefined_Bond_Stereo_Count	0
53394791	Rotatable_Bond_Count	14
576026	Molecular_Weight	188.26
99295	Molecular_Weight	87.15
55939	Hydrogen_Bond_Acceptor_Count	5
135565106	Total_Formal_Charge	0
118360945	Defined_Atom_Stereo_Count	0
37114	Defined_Bond_Stereo_Count	0
11712649	Molecular_Weight	476.9
3959	Mono_Isotopic_Weight	457.1660879
16760328	Hydrogen_Bond_Donor_Count	4
25240297	Covalent_Unit_Count	1
11488729	XLogP3-AA	7.1
1340	Molecular_Weight	161.16
121459	Undefined_Atom_Stereo_Count	0
9918381	Defined_Atom_Stereo_Count	0
7263	Defined_Bond_Stereo_Count	0
10548	Defined_Atom_Stereo_Count	0
54786	Non-hydrogen_Atom_Count	28
45934203	Molecular_Weight	281.26
17769	Tautomer_Count	1
11857377	Structure_Complexity	313
25272039	Covalent_Unit_Count	1
53970299	Hydrogen_Bond_Acceptor_Count	1
11640298	Isotope_Atom_Count	0
443872	Total_Formal_Charge	0
5458497	Defined_Bond_Stereo_Count	1
3384	Rotatable_Bond_Count	1
2442	Exact_Mass	375.99727
159968	Defined_Bond_Stereo_Count	0
17875436	Isotope_Atom_Count	0
147856	Isotope_Atom_Count	0
54581776	TPSA	89
72741573	Undefined_Bond_Stereo_Count	0
2724372	Rotatable_Bond_Count	3
6640	XLogP3	1.9
21450089	Hydrogen_Bond_Donor_Count	0
2103	Isotope_Atom_Count	0
11534	Undefined_Atom_Stereo_Count	0
43667	Molecular_Weight	214.31
16231	Covalent_Unit_Count	1
20329340	Undefined_Atom_Stereo_Count	0
9870843	Defined_Atom_Stereo_Count	2
64762	Defined_Atom_Stereo_Count	0
12317612	XLogP3-AA	1
1712	Covalent_Unit_Count	1
98088	Mono_Isotopic_Weight	138.104465066
88091	Mono_Isotopic_Weight	243.1389920
21884945	XLogP3	0.1
71305058	Undefined_Atom_Stereo_Count	0
8209	Molecular_Weight	214.39
7594067	Hydrogen_Bond_Acceptor_Count	6
76755	Hydrogen_Bond_Donor_Count	0
15204529	Structure_Complexity	107
11804701	Undefined_Atom_Stereo_Count	0
66295	Exact_Mass	84.057514874
6112	Undefined_Atom_Stereo_Count	0
10329124	Hydrogen_Bond_Donor_Count	12
1397	Exact_Mass	658.55362546
5352133	Defined_Bond_Stereo_Count	0
11115809	TPSA	235
2075	Undefined_Bond_Stereo_Count	0
2060890	Molecular_Weight	342.8
155259577	Isotope_Atom_Count	0
113606	Total_Formal_Charge	0
40512	XLogP3-AA	2
13803506	Undefined_Atom_Stereo_Count	0
6560	Hydrogen_Bond_Acceptor_Count	1
5095	Defined_Bond_Stereo_Count	0
13831	Exact_Mass	202.185037859
3793	Structure_Complexity	1120
20702319	Molecular_Weight	113.16
493662	Isotope_Atom_Count	0
14022517	Defined_Atom_Stereo_Count	0
667	Molecular_Weight	866.9
91820194	TPSA	121
636857	TPSA	121
86855	XLogP3-AA	1.8
10931404	Undefined_Atom_Stereo_Count	0
2734181	Isotope_Atom_Count	0
6539297	Hydrogen_Bond_Acceptor_Count	8
182176	Mono_Isotopic_Weight	239.15214353
535856	Hydrogen_Bond_Acceptor_Count	2
6295	Isotope_Atom_Count	0
4438527	Hydrogen_Bond_Acceptor_Count	21
60196271	Hydrogen_Bond_Acceptor_Count	16
128229	Exact_Mass	822.40378589
12302675	Covalent_Unit_Count	1
44297456	Hydrogen_Bond_Acceptor_Count	9
6437875	Undefined_Atom_Stereo_Count	1
4991	TPSA	33.4
12285893	Non-hydrogen_Atom_Count	12
21685	Defined_Bond_Stereo_Count	0
2457	Rotatable_Bond_Count	1
132519	Exact_Mass	388.21105539
10308710	Non-hydrogen_Atom_Count	20
141168949	Isotope_Atom_Count	0
4479095	Exact_Mass	596.8033
33645	Tautomer_Count	1
9065	Molecular_Weight	187.66
15709948	Undefined_Atom_Stereo_Count	0
163798512	Exact_Mass	665.30474055
8118	Hydrogen_Bond_Donor_Count	0
2763078	Hydrogen_Bond_Donor_Count	1
141545	Non-hydrogen_Atom_Count	8
84648	Isotope_Atom_Count	0
11740218	Total_Formal_Charge	0
319344	Rotatable_Bond_Count	13
12702413	XLogP3	2
9862936	Undefined_Bond_Stereo_Count	0
17956339	Rotatable_Bond_Count	4
89723675	TPSA	76.5
91820194	Undefined_Bond_Stereo_Count	0
91482	Isotope_Atom_Count	0
15655	Molecular_Weight	86.09
83478498	Structure_Complexity	84.1
10044	Exact_Mass	100.125200510
11294	Total_Formal_Charge	0
3797	Hydrogen_Bond_Donor_Count	0
133611945	Exact_Mass	612.07668989
58608	XLogP3-AA	3.4
68191	TPSA	0
2755260	Exact_Mass	270.104465066
5373493	XLogP3	0.3
13112141	Non-hydrogen_Atom_Count	8
93074	Structure_Complexity	65.1
8082	Tautomer_Count	1
9874175	Defined_Atom_Stereo_Count	1
5694	Mono_Isotopic_Weight	323.0495256
253762	Molecular_Weight	100.12
12819963	Rotatable_Bond_Count	0
24385	Isotope_Atom_Count	0
3015569	Defined_Bond_Stereo_Count	0
31344	XLogP3-AA	0
77991	Structure_Complexity	269
123936	Undefined_Atom_Stereo_Count	0
64113	Mono_Isotopic_Weight	541.2496051
53393586	Hydrogen_Bond_Acceptor_Count	16
6071	Undefined_Bond_Stereo_Count	0
31353	Rotatable_Bond_Count	7
5351279	TPSA	7.8
668624	Structure_Complexity	396
70682213	Isotope_Atom_Count	0
45085047	Structure_Complexity	139
10290734	TPSA	26
7693	Tautomer_Count	1
24848232	Exact_Mass	200.11091037
13150	Exact_Mass	130.062994177
102148036	Hydrogen_Bond_Donor_Count	2
18980923	Non-hydrogen_Atom_Count	7
1546	Undefined_Bond_Stereo_Count	0
98231	XLogP3	1.4
160998	Molecular_Weight	81.80
686703	Hydrogen_Bond_Acceptor_Count	3
55752	Exact_Mass	440.22459745
13783	TPSA	127
23566493	Rotatable_Bond_Count	0
89239	Non-hydrogen_Atom_Count	8
53897	Isotope_Atom_Count	0
6436658	Undefined_Bond_Stereo_Count	0
2695	Hydrogen_Bond_Acceptor_Count	7
5327011	Defined_Bond_Stereo_Count	0
10434	Defined_Bond_Stereo_Count	0
69356	Defined_Atom_Stereo_Count	0
712078	Total_Formal_Charge	0
314282	Exact_Mass	268.146329876
8196	Non-hydrogen_Atom_Count	13
44352909	Defined_Bond_Stereo_Count	0
16891	Molecular_Weight	242.27
7085	Non-hydrogen_Atom_Count	21
54316	Tautomer_Count	1
1328	Undefined_Atom_Stereo_Count	0
79882	TPSA	26
4428	TPSA	70
20206342	Structure_Complexity	97.4
6469	Undefined_Bond_Stereo_Count	0
10451	Exact_Mass	120.00674260
11083864	Hydrogen_Bond_Donor_Count	1
130349042	Rotatable_Bond_Count	1
779	Covalent_Unit_Count	1
19999	Undefined_Bond_Stereo_Count	0
118459248	Mono_Isotopic_Weight	342.11621151
2243	Hydrogen_Bond_Acceptor_Count	15
25375	XLogP3-AA	1.5
131634423	Total_Formal_Charge	0
6321340	Non-hydrogen_Atom_Count	61
14545018	Defined_Bond_Stereo_Count	0
34313	Structure_Complexity	273
4389	Exact_Mass	215.07937252
21677760	TPSA	60.2
23187246	Defined_Bond_Stereo_Count	0
10162630	Undefined_Atom_Stereo_Count	0
558206	Hydrogen_Bond_Acceptor_Count	1
10997483	Undefined_Atom_Stereo_Count	0
65531	Molecular_Weight	133.15
127036660	Undefined_Atom_Stereo_Count	0
7791	Total_Formal_Charge	0
66011	Covalent_Unit_Count	1
135974	TPSA	0
521939	Mono_Isotopic_Weight	268.125200510
9846588	Mono_Isotopic_Weight	450.23660143
164330	Hydrogen_Bond_Donor_Count	12
70837	Isotope_Atom_Count	0
725544	Hydrogen_Bond_Donor_Count	2
60196296	Defined_Atom_Stereo_Count	0
543069	Defined_Bond_Stereo_Count	0
12275054	Non-hydrogen_Atom_Count	8
6918049	Hydrogen_Bond_Donor_Count	1
543123	Undefined_Atom_Stereo_Count	0
83151608	Undefined_Bond_Stereo_Count	0
637552	Hydrogen_Bond_Acceptor_Count	4
2133	Undefined_Bond_Stereo_Count	0
11460	Covalent_Unit_Count	1
25195	Total_Formal_Charge	0
5284544	Exact_Mass	515.22407968
518605	Molecular_Weight	395.68
6435893	XLogP3-AA	7.5
138471783	Defined_Bond_Stereo_Count	0
84733	Defined_Atom_Stereo_Count	0
118210808	Undefined_Bond_Stereo_Count	0
5284610	Mono_Isotopic_Weight	1084.47265329
6806	Molecular_Weight	556.86
25207583	Defined_Atom_Stereo_Count	0
649230	Molecular_Weight	424.4
141350819	Structure_Complexity	107
5371562	Isotope_Atom_Count	0
91274	Undefined_Atom_Stereo_Count	0
28563239	Rotatable_Bond_Count	3
17930361	Mono_Isotopic_Weight	112.125200510
7024	Covalent_Unit_Count	1
3034351	Total_Formal_Charge	0
44429	Defined_Bond_Stereo_Count	0
10900	Hydrogen_Bond_Donor_Count	0
2807	TPSA	110
8556	Exact_Mass	334.00074133
69321	TPSA	45.8
564847	Undefined_Atom_Stereo_Count	0
19665	Isotope_Atom_Count	0
141836779	TPSA	20.2
248333	Total_Formal_Charge	0
254	Structure_Complexity	175
4873	Structure_Complexity	2
25262965	Hydrogen_Bond_Donor_Count	1
11430	Defined_Bond_Stereo_Count	0
71583157	Undefined_Atom_Stereo_Count	0
18212	Defined_Atom_Stereo_Count	0
20479971	Defined_Atom_Stereo_Count	0
67591	Covalent_Unit_Count	1
5253	Molecular_Weight	272.37
62495	Undefined_Bond_Stereo_Count	0
129840260	Mono_Isotopic_Weight	292.05964013
969105	Undefined_Atom_Stereo_Count	0
2734162	Defined_Bond_Stereo_Count	0
30251	TPSA	16.6
4250936	Rotatable_Bond_Count	0
11007841	Hydrogen_Bond_Donor_Count	0
21362	Hydrogen_Bond_Donor_Count	6
10116556	Isotope_Atom_Count	0
5281613	Defined_Atom_Stereo_Count	10
16047027	Hydrogen_Bond_Donor_Count	5
134692352	Isotope_Atom_Count	0
57004451	Rotatable_Bond_Count	1
65647	Molecular_Weight	487.4
10784	Defined_Bond_Stereo_Count	0
20205	Covalent_Unit_Count	1
105427064	Defined_Bond_Stereo_Count	0
22096	Hydrogen_Bond_Acceptor_Count	7
59110799	Defined_Atom_Stereo_Count	0
64994767	Rotatable_Bond_Count	1
92588	Non-hydrogen_Atom_Count	8
755686	Defined_Bond_Stereo_Count	0
65996	Mono_Isotopic_Weight	330.267113712
11203271	Covalent_Unit_Count	1
136733	Exact_Mass	149.99041897
2734920	Total_Formal_Charge	0
9818024	Non-hydrogen_Atom_Count	22
7663	Isotope_Atom_Count	0
125110	Total_Formal_Charge	0
12758013	Undefined_Bond_Stereo_Count	0
105426928	Non-hydrogen_Atom_Count	7
19920	XLogP3-AA	0.6
641245	Undefined_Atom_Stereo_Count	0
9577585	Tautomer_Count	5
39985	Mono_Isotopic_Weight	340.0269143
398558	Defined_Atom_Stereo_Count	2
49862574	Rotatable_Bond_Count	7
6829	Molecular_Weight	199.20
107280	Hydrogen_Bond_Donor_Count	0
154489025	Undefined_Bond_Stereo_Count	1
144147883	Hydrogen_Bond_Donor_Count	1
444440	Hydrogen_Bond_Acceptor_Count	9
23783	Defined_Bond_Stereo_Count	0
444679	Rotatable_Bond_Count	4
18717626	Hydrogen_Bond_Donor_Count	1
54758599	Hydrogen_Bond_Donor_Count	23
22464	Total_Formal_Charge	0
1202	Undefined_Bond_Stereo_Count	2
11393	Exact_Mass	186.068079557
6099959	Mono_Isotopic_Weight	449.9621801
3882	Molecular_Weight	440.7
98218	Undefined_Bond_Stereo_Count	0
6604889	Hydrogen_Bond_Donor_Count	1
163921573	Isotope_Atom_Count	0
12021642	Hydrogen_Bond_Donor_Count	1
1201	Non-hydrogen_Atom_Count	27
55	Exact_Mass	654.53758147
66903	Exact_Mass	366.349780706
78847	Non-hydrogen_Atom_Count	11
14815780	Defined_Bond_Stereo_Count	0
71451733	Undefined_Bond_Stereo_Count	0
408285	Undefined_Atom_Stereo_Count	0
22866	Defined_Bond_Stereo_Count	0
133886	Defined_Bond_Stereo_Count	0
53784322	Defined_Atom_Stereo_Count	0
5460998	Undefined_Atom_Stereo_Count	0
76223836	Hydrogen_Bond_Acceptor_Count	2
11764862	Undefined_Bond_Stereo_Count	0
20056743	Non-hydrogen_Atom_Count	26
61749380	Rotatable_Bond_Count	2
7017747	Undefined_Bond_Stereo_Count	0
11029805	Isotope_Atom_Count	0
65819	Rotatable_Bond_Count	2
16667738	Rotatable_Bond_Count	11
11335094	Undefined_Bond_Stereo_Count	0
3014295	Defined_Bond_Stereo_Count	0
35525	Mono_Isotopic_Weight	166.110613074
1967	TPSA	54.4
46911863	Undefined_Atom_Stereo_Count	0
66080	Structure_Complexity	92.6
12951370	Tautomer_Count	1
7042	Rotatable_Bond_Count	0
55256	Tautomer_Count	3
3154	Covalent_Unit_Count	1
70698365	Molecular_Weight	656.4
111509	Hydrogen_Bond_Donor_Count	1
24642	Structure_Complexity	2
96354	Rotatable_Bond_Count	7
22506613	Total_Formal_Charge	0
12447	TPSA	75.9
71584544	Defined_Bond_Stereo_Count	0
448014	TPSA	137
18283	Total_Formal_Charge	0
6445562	XLogP3-AA	4.5
56845432	Mono_Isotopic_Weight	182.07594159
10872638	Total_Formal_Charge	0
12309466	TPSA	54.7
86956	Covalent_Unit_Count	1
5365748	Undefined_Atom_Stereo_Count	0
40466884	Isotope_Atom_Count	0
123462301	Mono_Isotopic_Weight	86.084398327
97012111	Mono_Isotopic_Weight	342.11621151
4649	Exact_Mass	153.042593085
76449347	Defined_Atom_Stereo_Count	0
140349	Total_Formal_Charge	0
8132	Hydrogen_Bond_Donor_Count	2
5364714	XLogP3-AA	5.9
4714	Mono_Isotopic_Weight	496.39164552
70124	Non-hydrogen_Atom_Count	10
3034048	Hydrogen_Bond_Acceptor_Count	5
11703345	Undefined_Bond_Stereo_Count	0
41308	Defined_Bond_Stereo_Count	0
65484	Defined_Atom_Stereo_Count	0
22378	Rotatable_Bond_Count	6
3894573	Defined_Atom_Stereo_Count	0
9883149	Defined_Bond_Stereo_Count	0
2315	Exact_Mass	421.03778277
174341	XLogP3	5.9
10219402	Mono_Isotopic_Weight	112.052429494
12257	Defined_Atom_Stereo_Count	0
71459166	Undefined_Atom_Stereo_Count	1
36858	Tautomer_Count	1
2826713	XLogP3-AA	16
49866023	Undefined_Atom_Stereo_Count	0
27826	Tautomer_Count	1
441071	Undefined_Atom_Stereo_Count	0
9514	Covalent_Unit_Count	1
10558601	Hydrogen_Bond_Donor_Count	2
674754	Undefined_Bond_Stereo_Count	0
107647	Total_Formal_Charge	0
19905962	Molecular_Weight	114.14
73433	Structure_Complexity	148
15505	XLogP3-AA	4.6
129194081	Total_Formal_Charge	0
57725	Tautomer_Count	1
3835970	Defined_Bond_Stereo_Count	0
709156	Mono_Isotopic_Weight	346.11398438
11251803	Isotope_Atom_Count	0
14041489	Undefined_Atom_Stereo_Count	2
15881135	Covalent_Unit_Count	1
14221	Defined_Bond_Stereo_Count	0
19883274	Total_Formal_Charge	0
15424	Exact_Mass	375.1965069
53249535	Exact_Mass	364.16343649
2724235	Total_Formal_Charge	0
12754519	Isotope_Atom_Count	0
10509	Isotope_Atom_Count	0
5326971	Undefined_Bond_Stereo_Count	0
74038637	Exact_Mass	100.100048391
1576	Total_Formal_Charge	0
36192	Hydrogen_Bond_Acceptor_Count	2
21927749	Structure_Complexity	98.6
17963334	Molecular_Weight	526.5
533933	TPSA	78.4
53465918	Molecular_Weight	410.5
720364	Structure_Complexity	560
102657	Undefined_Atom_Stereo_Count	1
55874	TPSA	119
11550005	Isotope_Atom_Count	0
66783827	Non-hydrogen_Atom_Count	5
9885442	Covalent_Unit_Count	1
17179	Hydrogen_Bond_Donor_Count	0
102118	Exact_Mass	444.06926132
120096	Undefined_Bond_Stereo_Count	0
46916401	Hydrogen_Bond_Acceptor_Count	11
100413	Total_Formal_Charge	0
1549004	Defined_Bond_Stereo_Count	1
12467	Molecular_Weight	393.70
98648	Hydrogen_Bond_Donor_Count	1
10038849	Hydrogen_Bond_Donor_Count	1
83832	Defined_Atom_Stereo_Count	0
534094	Covalent_Unit_Count	1
163050675	Defined_Atom_Stereo_Count	6
133066	Molecular_Weight	385.28
44339046	Hydrogen_Bond_Donor_Count	2
19041912	Mono_Isotopic_Weight	113.047678466
65725	Mono_Isotopic_Weight	102.042927438
5228468	Tautomer_Count	1
3659	Molecular_Weight	527.5
4974205	Defined_Atom_Stereo_Count	0
12515628	Defined_Bond_Stereo_Count	0
12671579	TPSA	53
4331	TPSA	130
21875354	Exact_Mass	159.102119336
94784	Defined_Atom_Stereo_Count	0
146868632	TPSA	29.5
21827	Total_Formal_Charge	0
2995	TPSA	15.3
92843	Hydrogen_Bond_Donor_Count	3
7337	Isotope_Atom_Count	0
819440	Undefined_Bond_Stereo_Count	0
55286252	Hydrogen_Bond_Acceptor_Count	3
16668	XLogP3	3.6
134731361	Hydrogen_Bond_Acceptor_Count	16
5366244	Mono_Isotopic_Weight	296.307915895
21867154	Total_Formal_Charge	0
12546243	Non-hydrogen_Atom_Count	6
65770	Undefined_Atom_Stereo_Count	1
100978766	Defined_Bond_Stereo_Count	0
669	Covalent_Unit_Count	1
17860191	Undefined_Atom_Stereo_Count	0
430914	Defined_Bond_Stereo_Count	0
115107	XLogP3	2
5413034	XLogP3-AA	2.4
53845104	Mono_Isotopic_Weight	87.043261792
8433	TPSA	34.1
4975	Defined_Bond_Stereo_Count	0
21648	Undefined_Bond_Stereo_Count	0
67630	Hydrogen_Bond_Acceptor_Count	5
21093905	Isotope_Atom_Count	0
22125	Defined_Atom_Stereo_Count	0
141112	Covalent_Unit_Count	1
518874	Hydrogen_Bond_Acceptor_Count	0
27020	XLogP3-AA	6.2
97120	Undefined_Bond_Stereo_Count	0
23385871	Rotatable_Bond_Count	0
5357479	Hydrogen_Bond_Donor_Count	1
11181837	Undefined_Atom_Stereo_Count	0
10081060	Undefined_Bond_Stereo_Count	0
240	Tautomer_Count	2
11378474	Undefined_Atom_Stereo_Count	0
48104	Molecular_Weight	259.77
12031	Total_Formal_Charge	0
589863	Hydrogen_Bond_Donor_Count	0
439260	Isotope_Atom_Count	0
70177	Defined_Atom_Stereo_Count	0
289	Exact_Mass	110.036779430
56842239	Rotatable_Bond_Count	40
153884978	Non-hydrogen_Atom_Count	8
19788587	Total_Formal_Charge	0
225688	XLogP3-AA	9
5897	Molecular_Weight	223.27
6674	Covalent_Unit_Count	1
5359271	Undefined_Atom_Stereo_Count	0
129654479	Hydrogen_Bond_Acceptor_Count	2
71258	Hydrogen_Bond_Acceptor_Count	6
13021	Undefined_Bond_Stereo_Count	0
139338	Defined_Bond_Stereo_Count	0
6367080	Total_Formal_Charge	1
12933751	Covalent_Unit_Count	1
93858	Defined_Atom_Stereo_Count	0
234839	Undefined_Bond_Stereo_Count	0
25261	Covalent_Unit_Count	2
22731	Hydrogen_Bond_Donor_Count	0
135406167	XLogP3	2.3
56948400	Hydrogen_Bond_Donor_Count	5
23957	Mono_Isotopic_Weight	96.90636
115011049	Undefined_Bond_Stereo_Count	0
5460044	Mono_Isotopic_Weight	182.07903816
14511497	Undefined_Bond_Stereo_Count	0
671761	Molecular_Weight	265.21
145705935	Defined_Atom_Stereo_Count	4
13848133	Rotatable_Bond_Count	1
16606	XLogP3-AA	2
123205882	Defined_Bond_Stereo_Count	0
49865785	Defined_Bond_Stereo_Count	0
15166	Mono_Isotopic_Weight	156.151415257
46942544	Mono_Isotopic_Weight	332.11071051
23464986	Hydrogen_Bond_Donor_Count	1
2733352	Exact_Mass	150.0086696
38895	Molecular_Weight	636.9
71713793	Rotatable_Bond_Count	3
15951509	XLogP3-AA	2.4
48845	Undefined_Bond_Stereo_Count	0
155794	Hydrogen_Bond_Donor_Count	1
48622	Undefined_Bond_Stereo_Count	0
85985944	Hydrogen_Bond_Donor_Count	0
27422	Defined_Atom_Stereo_Count	0
53393738	Molecular_Weight	266.0
2775641	Covalent_Unit_Count	1
11591222	Hydrogen_Bond_Acceptor_Count	8
11062312	Hydrogen_Bond_Acceptor_Count	1
96261	Hydrogen_Bond_Donor_Count	1
2005	Structure_Complexity	156
230076	Mono_Isotopic_Weight	1084.47265329
156618074	Covalent_Unit_Count	1
5460232	Hydrogen_Bond_Donor_Count	1
222212	Hydrogen_Bond_Donor_Count	0
135409384	Undefined_Atom_Stereo_Count	2
31762	Rotatable_Bond_Count	1
226205	Isotope_Atom_Count	0
149208291	TPSA	21.9
13874664	Covalent_Unit_Count	1
69440016	TPSA	121
62695	Tautomer_Count	1
35330	Total_Formal_Charge	0
5879	Structure_Complexity	459
104820	Exact_Mass	165.026060
42627755	Hydrogen_Bond_Donor_Count	4
130642949	Undefined_Atom_Stereo_Count	1
12657448	Defined_Bond_Stereo_Count	0
165971	Defined_Atom_Stereo_Count	0
91063960	Rotatable_Bond_Count	1
8069	Rotatable_Bond_Count	2
99730	Isotope_Atom_Count	0
52947147	Structure_Complexity	549
57992058	Hydrogen_Bond_Acceptor_Count	5
87481476	Covalent_Unit_Count	1
421	Rotatable_Bond_Count	7
48362	XLogP3-AA	3.2
2394	Molecular_Weight	1157.2
18032	Exact_Mass	322.05652664
8506	Hydrogen_Bond_Donor_Count	2
66663660	Undefined_Atom_Stereo_Count	0
24964624	Hydrogen_Bond_Acceptor_Count	4
81668	Hydrogen_Bond_Donor_Count	1
13480954	Undefined_Bond_Stereo_Count	0
7070	Total_Formal_Charge	0
91166722	Total_Formal_Charge	0
722163	Defined_Bond_Stereo_Count	0
7400	TPSA	62.8
19362293	Total_Formal_Charge	0
57395973	Hydrogen_Bond_Acceptor_Count	4
101306862	TPSA	136
280245	Mono_Isotopic_Weight	247.12084340
116841780	Mono_Isotopic_Weight	109.089149355
21987711	Non-hydrogen_Atom_Count	8
95187	Hydrogen_Bond_Acceptor_Count	4
8181	Defined_Atom_Stereo_Count	0
4410	Hydrogen_Bond_Acceptor_Count	7
41095	XLogP3	3.3
91770	TPSA	91.6
69503325	Exact_Mass	534.25185757
61282	Undefined_Bond_Stereo_Count	0
12415	Total_Formal_Charge	0
11286453	Undefined_Atom_Stereo_Count	0
33068	Exact_Mass	360.80944
146159752	Structure_Complexity	688
287071	Undefined_Bond_Stereo_Count	0
12468302	Exact_Mass	97.052763847
23681141	Total_Formal_Charge	0
90487871	Hydrogen_Bond_Donor_Count	1
16113378	Hydrogen_Bond_Donor_Count	1
3017748	Molecular_Weight	191.12
637552	Hydrogen_Bond_Donor_Count	1
11704019	Structure_Complexity	486
9248	Mono_Isotopic_Weight	182.167065321
57399438	Exact_Mass	416.31512653
5724	Mono_Isotopic_Weight	439.95748
6426854	TPSA	66.4
118910268	Covalent_Unit_Count	1
267	TPSA	573
5388962	Defined_Bond_Stereo_Count	0
115739	Structure_Complexity	240
114801	TPSA	37.3
54350955	Undefined_Bond_Stereo_Count	0
57503849	Tautomer_Count	1
6604902	Defined_Bond_Stereo_Count	0
14039779	Non-hydrogen_Atom_Count	7
7922	Total_Formal_Charge	0
3417419	Undefined_Atom_Stereo_Count	0
596237	Covalent_Unit_Count	1
53304446	Undefined_Bond_Stereo_Count	0
56683653	Undefined_Bond_Stereo_Count	0
39328	Hydrogen_Bond_Donor_Count	1
71277	Molecular_Weight	790.0
158693	Mono_Isotopic_Weight	168.078644241
90561	Tautomer_Count	7
6781	Defined_Bond_Stereo_Count	0
70684298	Hydrogen_Bond_Acceptor_Count	4
11181837	XLogP3-AA	13.6
104865206	Rotatable_Bond_Count	2
33603	Molecular_Weight	212.25
13382623	Non-hydrogen_Atom_Count	8
13027931	Total_Formal_Charge	0
91037	Hydrogen_Bond_Acceptor_Count	7
26721	Defined_Bond_Stereo_Count	0
553	Isotope_Atom_Count	0
5284537	Defined_Bond_Stereo_Count	0
21943994	TPSA	185
13157	Total_Formal_Charge	0
76672	Undefined_Atom_Stereo_Count	0
123800109	Undefined_Atom_Stereo_Count	5
580104	Isotope_Atom_Count	0
4343	Total_Formal_Charge	0
142059572	Defined_Bond_Stereo_Count	0
54151808	Undefined_Bond_Stereo_Count	0
23585071	Covalent_Unit_Count	1
12130	Hydrogen_Bond_Donor_Count	0
534094	XLogP3-AA	1
75306	Undefined_Atom_Stereo_Count	0
70443535	Exact_Mass	180.06338810
20722796	Hydrogen_Bond_Donor_Count	0
73182	Tautomer_Count	1
21161643	Isotope_Atom_Count	0
19539	XLogP3	3.9
76543883	Total_Formal_Charge	0
53846430	Defined_Atom_Stereo_Count	4
68745	XLogP3-AA	5.1
142647132	Hydrogen_Bond_Acceptor_Count	3
137295275	Exact_Mass	1029.60248569
3852430	Mono_Isotopic_Weight	509.7086
5281004	TPSA	93.1
3003141	Defined_Atom_Stereo_Count	1
76672	Structure_Complexity	222
16759993	Rotatable_Bond_Count	4
16329	Defined_Atom_Stereo_Count	0
21093784	Structure_Complexity	577
317459	Mono_Isotopic_Weight	114.104465066
18212	Mono_Isotopic_Weight	197.12766012
102249560	Hydrogen_Bond_Donor_Count	3
139807	Hydrogen_Bond_Donor_Count	0
5288499	Defined_Atom_Stereo_Count	8
577543	Total_Formal_Charge	0
20035	Rotatable_Bond_Count	7
23080684	Covalent_Unit_Count	1
140066	Isotope_Atom_Count	0
76288	Covalent_Unit_Count	1
53930639	Exact_Mass	193.121512110
11178958	Undefined_Bond_Stereo_Count	0
24865625	Hydrogen_Bond_Donor_Count	3
153903811	Structure_Complexity	32.9
24229456	Total_Formal_Charge	0
154342062	Total_Formal_Charge	0
24802075	Defined_Atom_Stereo_Count	6
21121497	XLogP3-AA	1.6
5040	Undefined_Atom_Stereo_Count	15
11083833	Covalent_Unit_Count	1
23665874	TPSA	69.2
20514191	Structure_Complexity	62.6
120741	Rotatable_Bond_Count	5
33958	Defined_Atom_Stereo_Count	0
216294	Total_Formal_Charge	0
156432753	Defined_Bond_Stereo_Count	0
54129211	Mono_Isotopic_Weight	94.041864811
3083655	Structure_Complexity	67.4
73554303	Non-hydrogen_Atom_Count	13
168256	Structure_Complexity	511
4685	Undefined_Atom_Stereo_Count	0
2807	Rotatable_Bond_Count	10
12586	Hydrogen_Bond_Donor_Count	0
5356697	Hydrogen_Bond_Acceptor_Count	1
53153	XLogP3	0.3
144369145	Undefined_Atom_Stereo_Count	0
6914657	XLogP3-AA	3.7
16212939	Rotatable_Bond_Count	10
75412604	Hydrogen_Bond_Acceptor_Count	13
79878	Hydrogen_Bond_Acceptor_Count	5
3806	Covalent_Unit_Count	1
13925	XLogP3-AA	4.4
2042	Defined_Atom_Stereo_Count	0
118388029	Undefined_Bond_Stereo_Count	0
7327	Isotope_Atom_Count	0
3219	Hydrogen_Bond_Donor_Count	0
1550846	Mono_Isotopic_Weight	129.057849228
96776	Isotope_Atom_Count	0
9821547	Structure_Complexity	485
4333	Undefined_Atom_Stereo_Count	2
2284259	TPSA	54.4
70685868	Isotope_Atom_Count	0
119202	Molecular_Weight	388.5
11243536	Exact_Mass	300.0796186
153386900	Structure_Complexity	125
6326288	Non-hydrogen_Atom_Count	8
123292394	Rotatable_Bond_Count	0
60056	Rotatable_Bond_Count	7
96458	XLogP3-AA	6
123744867	Total_Formal_Charge	0
38040	Exact_Mass	291.919411
167724	Hydrogen_Bond_Donor_Count	1
143440	Hydrogen_Bond_Acceptor_Count	2
436520	Structure_Complexity	175
5743	Total_Formal_Charge	0
133667882	Undefined_Bond_Stereo_Count	0
825877	Rotatable_Bond_Count	2
4523333	Undefined_Bond_Stereo_Count	0
2300	TPSA	51.1
85255	Molecular_Weight	252.33
4136526	Exact_Mass	286.09701070
44586930	Molecular_Weight	275.31
5259916	Molecular_Weight	114.10
637497	Defined_Atom_Stereo_Count	1
60196372	Isotope_Atom_Count	0
10258659	Rotatable_Bond_Count	7
82185	Hydrogen_Bond_Donor_Count	1
5893	Non-hydrogen_Atom_Count	44
15239355	TPSA	46.2
31953	Undefined_Bond_Stereo_Count	0
13781592	Total_Formal_Charge	0
22383	Rotatable_Bond_Count	6
10459649	Structure_Complexity	957
86790	Molecular_Weight	250.31
9571037	Defined_Atom_Stereo_Count	0
32316	TPSA	41.9
6417	Defined_Bond_Stereo_Count	0
40652	TPSA	65.1
1988	Structure_Complexity	260
10125362	XLogP3-AA	3.4
753053	Undefined_Atom_Stereo_Count	0
34572	Undefined_Atom_Stereo_Count	0
53846435	Exact_Mass	416.32904526
7220	Defined_Atom_Stereo_Count	0
67619	Defined_Bond_Stereo_Count	0
688561	Molecular_Weight	290.36
22630	Hydrogen_Bond_Acceptor_Count	2
15324722	Structure_Complexity	151
54585738	Hydrogen_Bond_Acceptor_Count	4
83075	Exact_Mass	271.20216773
216992	Total_Formal_Charge	0
13469007	Mono_Isotopic_Weight	115.026943022
13659638	Isotope_Atom_Count	0
40549	Rotatable_Bond_Count	0
10101	Defined_Atom_Stereo_Count	0
21803	Undefined_Bond_Stereo_Count	0
13738	TPSA	42.2
10709065	Defined_Bond_Stereo_Count	2
18340	Rotatable_Bond_Count	6
98136	Rotatable_Bond_Count	2
534918	Molecular_Weight	110.20
3770186	Molecular_Weight	819.9
5077	Defined_Bond_Stereo_Count	0
163090692	Total_Formal_Charge	0
2002	Defined_Atom_Stereo_Count	0
10306	XLogP3-AA	3.3
85470810	Exact_Mass	528.10564683
96257	Hydrogen_Bond_Acceptor_Count	6
64991794	Isotope_Atom_Count	0
9859365	Exact_Mass	225.115364102
3734343	Structure_Complexity	343
1511	Rotatable_Bond_Count	3
20060810	Undefined_Bond_Stereo_Count	0
547790	Total_Formal_Charge	0
13235	Structure_Complexity	216
56991659	Non-hydrogen_Atom_Count	8
54230	Covalent_Unit_Count	1
305	Rotatable_Bond_Count	2
45271369	Molecular_Weight	367.5
143061	Structure_Complexity	123
451156	XLogP3	3.9
72886	Molecular_Weight	169.16
58492	Hydrogen_Bond_Donor_Count	2
64156	Undefined_Atom_Stereo_Count	0
85056	Defined_Bond_Stereo_Count	0
131954609	Hydrogen_Bond_Donor_Count	3
14143095	Molecular_Weight	116.11
95512	Hydrogen_Bond_Acceptor_Count	1
5353985	Isotope_Atom_Count	0
5288799	Covalent_Unit_Count	1
4479912	Hydrogen_Bond_Acceptor_Count	13
206044	TPSA	111
154	Exact_Mass	313.06750147
1305	Exact_Mass	466.33077660
55285991	Non-hydrogen_Atom_Count	8
1573	Total_Formal_Charge	0
57551933	Mono_Isotopic_Weight	114.104465066
10127622	TPSA	88.4
87479093	XLogP3-AA	0.6
117683867	Rotatable_Bond_Count	6
1549991	Mono_Isotopic_Weight	100.088815002
54114	Isotope_Atom_Count	0
13450501	Rotatable_Bond_Count	1
92763	Undefined_Atom_Stereo_Count	0
5709759	Tautomer_Count	1
14288779	Defined_Bond_Stereo_Count	0
6133	Hydrogen_Bond_Acceptor_Count	15
6420096	Total_Formal_Charge	0
55191	Molecular_Weight	359.5
83403	Total_Formal_Charge	0
22643	Rotatable_Bond_Count	2
96129	Undefined_Bond_Stereo_Count	0
86574136	Isotope_Atom_Count	0
51759	Molecular_Weight	482.6
8600	Mono_Isotopic_Weight	270.07395278
596336	Defined_Atom_Stereo_Count	0
6858006	Molecular_Weight	873.1
13772685	Covalent_Unit_Count	1
44577611	Defined_Atom_Stereo_Count	0
12320138	Hydrogen_Bond_Donor_Count	0
138203	TPSA	30.7
3225	Hydrogen_Bond_Donor_Count	2
43454	Undefined_Atom_Stereo_Count	0
12315	Defined_Atom_Stereo_Count	0
24905142	Tautomer_Count	24
627458	Hydrogen_Bond_Acceptor_Count	2
256930	Molecular_Weight	247.09
138506	Total_Formal_Charge	0
6427770	Isotope_Atom_Count	0
17424	Mono_Isotopic_Weight	276.00774492
17856440	Exact_Mass	103.099714038
4517	Undefined_Bond_Stereo_Count	0
25600	Hydrogen_Bond_Donor_Count	2
4686862	Undefined_Bond_Stereo_Count	0
118701518	Isotope_Atom_Count	0
866400	Hydrogen_Bond_Acceptor_Count	5
6713443	XLogP3-AA	3.3
77408	Hydrogen_Bond_Acceptor_Count	1
25142172	Total_Formal_Charge	0
8085	Covalent_Unit_Count	1
97919	Isotope_Atom_Count	0
10895019	Defined_Bond_Stereo_Count	2
56677003	Structure_Complexity	742
3305	Tautomer_Count	1
518605	Hydrogen_Bond_Acceptor_Count	6
64969	Defined_Atom_Stereo_Count	1
70919851	Isotope_Atom_Count	0
56149	Covalent_Unit_Count	1
5282253	TPSA	124
17390	Mono_Isotopic_Weight	221.141578849
13992155	Rotatable_Bond_Count	11
4680	Isotope_Atom_Count	0
3744	Defined_Atom_Stereo_Count	0
114523	XLogP3-AA	2.6
122108	Hydrogen_Bond_Donor_Count	7
129	XLogP3-AA	1.3
29685	Defined_Atom_Stereo_Count	0
20253	Non-hydrogen_Atom_Count	13
57864687	Undefined_Bond_Stereo_Count	0
521289	Structure_Complexity	2.8
46205409	Rotatable_Bond_Count	16
3055957	Molecular_Weight	101.19
107217	Undefined_Bond_Stereo_Count	0
80045	Hydrogen_Bond_Acceptor_Count	2
61120	Rotatable_Bond_Count	4
54541930	Exact_Mass	115.063328530
31772	Undefined_Atom_Stereo_Count	1
453077	Mono_Isotopic_Weight	220.100048391
158698	Undefined_Bond_Stereo_Count	0
67849558	Total_Formal_Charge	0
2734054	Undefined_Atom_Stereo_Count	0
45357147	Undefined_Atom_Stereo_Count	13
74652199	Covalent_Unit_Count	1
2733928	Tautomer_Count	1
53436345	TPSA	34.1
40467085	Mono_Isotopic_Weight	489.06509963
24883466	TPSA	279
77077	Covalent_Unit_Count	1
25181577	Isotope_Atom_Count	0
84647703	Hydrogen_Bond_Donor_Count	2
76337	Tautomer_Count	1
736351	Non-hydrogen_Atom_Count	17
6918663	Rotatable_Bond_Count	7
54418364	Undefined_Atom_Stereo_Count	1
57266564	Isotope_Atom_Count	0
135779828	Covalent_Unit_Count	1
712377	Tautomer_Count	2
6628	Mono_Isotopic_Weight	214.04121336
537142	Undefined_Atom_Stereo_Count	2
146156882	Hydrogen_Bond_Acceptor_Count	26
3001322	Hydrogen_Bond_Donor_Count	3
179338	Molecular_Weight	512.1
11954234	Undefined_Bond_Stereo_Count	0
1343	Molecular_Weight	226.19
5353453	Undefined_Atom_Stereo_Count	0
20521861	Hydrogen_Bond_Donor_Count	1
5948	Structure_Complexity	72.1
71311204	Non-hydrogen_Atom_Count	10
118104	XLogP3-AA	0.5
11051613	Exact_Mass	114.068079557
4649906	Hydrogen_Bond_Donor_Count	0
22818	Undefined_Atom_Stereo_Count	0
89976681	Mono_Isotopic_Weight	107.037113783
57514725	Mono_Isotopic_Weight	451.97248157
119307	Exact_Mass	622.44446893
59896759	Total_Formal_Charge	0
162639102	Hydrogen_Bond_Acceptor_Count	11
15136232	Defined_Bond_Stereo_Count	0
100516	Undefined_Atom_Stereo_Count	0
53656122	Exact_Mass	177.07495584
15103	Structure_Complexity	97
8654	Isotope_Atom_Count	0
409384	Rotatable_Bond_Count	2
11285588	Mono_Isotopic_Weight	731.30002740
7738	Mono_Isotopic_Weight	138.068079557
44244962	Exact_Mass	258.11033829
3086674	Undefined_Atom_Stereo_Count	0
157882	Isotope_Atom_Count	0
60195811	Undefined_Bond_Stereo_Count	0
96809	Isotope_Atom_Count	0
8863	Total_Formal_Charge	0
16154490	Exact_Mass	1663.4923528
91749	Hydrogen_Bond_Donor_Count	1
16013	Undefined_Atom_Stereo_Count	0
59907918	Non-hydrogen_Atom_Count	23
1136	Total_Formal_Charge	0
18361854	Total_Formal_Charge	0
719625	TPSA	37.3
7847	Molecular_Weight	56.06
42078	Defined_Bond_Stereo_Count	0
54175	Defined_Bond_Stereo_Count	0
122522140	Covalent_Unit_Count	1
159470	Molecular_Weight	221.30
71679077	Covalent_Unit_Count	1
83735	Covalent_Unit_Count	1
5003059	Undefined_Atom_Stereo_Count	0
6986	Structure_Complexity	149
450591	Defined_Bond_Stereo_Count	0
126280	Undefined_Atom_Stereo_Count	0
82458	XLogP3-AA	5.9
7713	Covalent_Unit_Count	1
18430414	Hydrogen_Bond_Acceptor_Count	6
49806720	Covalent_Unit_Count	1
163276613	XLogP3-AA	0.5
9892539	Undefined_Bond_Stereo_Count	0
5267	Defined_Atom_Stereo_Count	0
28264	Hydrogen_Bond_Acceptor_Count	2
91620	Undefined_Atom_Stereo_Count	0
79069	Tautomer_Count	1
9885692	Total_Formal_Charge	0
69007	Mono_Isotopic_Weight	304.11581759
444451	Exact_Mass	717.00999
99050	Exact_Mass	325.215412493
4362	Non-hydrogen_Atom_Count	9
18684901	Hydrogen_Bond_Acceptor_Count	3
90658992	Isotope_Atom_Count	0
60932	XLogP3-AA	4.6
24385	Defined_Atom_Stereo_Count	0
41463	XLogP3-AA	6.6
91240511	Structure_Complexity	138
11610354	Isotope_Atom_Count	0
5702161	TPSA	93
5280492	XLogP3-AA	4.1
10297	Tautomer_Count	1
24678	Molecular_Weight	333.2
17162	Hydrogen_Bond_Acceptor_Count	2
95566292	Hydrogen_Bond_Acceptor_Count	3
10396821	Exact_Mass	116.047344113
28503	XLogP3	3.9
22833502	Mono_Isotopic_Weight	289.920654
821	Defined_Atom_Stereo_Count	0
16642494	Hydrogen_Bond_Acceptor_Count	2
129630288	Rotatable_Bond_Count	4
45344	Structure_Complexity	263
68986	Hydrogen_Bond_Donor_Count	1
154776153	Exact_Mass	284.16237386
66751253	Defined_Atom_Stereo_Count	0
135608329	Isotope_Atom_Count	0
24848375	Structure_Complexity	466
4597	Isotope_Atom_Count	0
23381756	Undefined_Atom_Stereo_Count	0
51356843	Isotope_Atom_Count	0
44126083	XLogP3-AA	3.2
12302693	Mono_Isotopic_Weight	342.11621151
15980171	Undefined_Bond_Stereo_Count	0
219025	Structure_Complexity	800
7907	Total_Formal_Charge	0
9789	Undefined_Bond_Stereo_Count	0
115227	Rotatable_Bond_Count	1
72200670	Defined_Atom_Stereo_Count	2
75931	Exact_Mass	400.287849157
12262	Defined_Bond_Stereo_Count	0
66673773	Rotatable_Bond_Count	0
12200971	Exact_Mass	117.078978594
6746	Isotope_Atom_Count	0
9547096	Rotatable_Bond_Count	44
683563	Total_Formal_Charge	0
2728270	Undefined_Atom_Stereo_Count	3
118797455	XLogP3-AA	5.1
739183	Non-hydrogen_Atom_Count	13
137261994	Undefined_Atom_Stereo_Count	0
513955	Mono_Isotopic_Weight	653.32470541
86751	Molecular_Weight	158.28
636403	XLogP3-AA	6.4
2076	Isotope_Atom_Count	0
19160	Non-hydrogen_Atom_Count	7
21251781	Mono_Isotopic_Weight	113.047678466
564664	Hydrogen_Bond_Acceptor_Count	0
6321253	Mono_Isotopic_Weight	338.21066147
14195	Defined_Bond_Stereo_Count	0
9568077	Non-hydrogen_Atom_Count	21
9863827	Structure_Complexity	645
479307	TPSA	52
139192	Defined_Bond_Stereo_Count	0
13073879	Undefined_Atom_Stereo_Count	0
71273	Exact_Mass	274.204513457
91747288	Isotope_Atom_Count	0
6097185	Tautomer_Count	1
99923	Undefined_Atom_Stereo_Count	7
124933	Undefined_Atom_Stereo_Count	1
14010989	Rotatable_Bond_Count	10
53709010	Non-hydrogen_Atom_Count	13
9161	Undefined_Atom_Stereo_Count	0
12441297	Defined_Bond_Stereo_Count	0
461	Total_Formal_Charge	0
22203	Defined_Bond_Stereo_Count	0
8408	Covalent_Unit_Count	1
18542107	Defined_Atom_Stereo_Count	0
23663400	Rotatable_Bond_Count	3
10027822	Molecular_Weight	473.5
10034577	Defined_Bond_Stereo_Count	0
104553443	Defined_Atom_Stereo_Count	0
246	Total_Formal_Charge	0
97523	Hydrogen_Bond_Donor_Count	3
529277	XLogP3-AA	2.5
60196319	Defined_Atom_Stereo_Count	1
5289501	Molecular_Weight	348.5
91472	Hydrogen_Bond_Acceptor_Count	1
3946663	Non-hydrogen_Atom_Count	29
14236	Undefined_Bond_Stereo_Count	0
763185	Defined_Atom_Stereo_Count	0
13327	Isotope_Atom_Count	0
32427	Structure_Complexity	382
32343	Covalent_Unit_Count	3
243859	Mono_Isotopic_Weight	115.099714038
74362	Non-hydrogen_Atom_Count	13
19847	Molecular_Weight	283.2
23385063	TPSA	0
21998683	Undefined_Bond_Stereo_Count	0
130471	XLogP3-AA	1.1
22058802	Molecular_Weight	106.16
65764	Structure_Complexity	511
11600642	Defined_Atom_Stereo_Count	1
21824035	Hydrogen_Bond_Acceptor_Count	3
44580386	Mono_Isotopic_Weight	470.14871294
5284373	Rotatable_Bond_Count	15
56955282	Isotope_Atom_Count	0
123737063	Structure_Complexity	65.1
10140	Molecular_Weight	465.6
3045414	Tautomer_Count	3
743681	XLogP3-AA	3.7
91027594	Hydrogen_Bond_Acceptor_Count	0
7105	Exact_Mass	221.084063974
90473211	Defined_Atom_Stereo_Count	6
721861	Rotatable_Bond_Count	5
13653621	Molecular_Weight	420.5
15909	Exact_Mass	146.073164938
70163	Defined_Bond_Stereo_Count	0
41721	Covalent_Unit_Count	2
192627	Mono_Isotopic_Weight	289.13140809
118183199	Hydrogen_Bond_Acceptor_Count	2
121710	Defined_Bond_Stereo_Count	0
90192	Mono_Isotopic_Weight	534.17951205
44193577	TPSA	69.7
10437166	Undefined_Bond_Stereo_Count	0
46853654	Exact_Mass	516.19033720
75605138	Exact_Mass	428.0618375
6435836	Hydrogen_Bond_Acceptor_Count	8
13707457	Hydrogen_Bond_Donor_Count	0
54840	Structure_Complexity	237
65452	Exact_Mass	764.50746311
443997	Rotatable_Bond_Count	4
45934481	Isotope_Atom_Count	0
51432351	Undefined_Atom_Stereo_Count	0
139062526	Non-hydrogen_Atom_Count	20
5281609	Hydrogen_Bond_Acceptor_Count	10
12895043	TPSA	60.7
177739	Defined_Bond_Stereo_Count	0
88318	Exact_Mass	87.104799419
19846	Hydrogen_Bond_Donor_Count	1
403648	Molecular_Weight	384.7
101995634	Exact_Mass	460.20971797
4969	Exact_Mass	331.14197277
15284	Undefined_Bond_Stereo_Count	0
50	Molecular_Weight	194.14
46968	Undefined_Atom_Stereo_Count	0
13696436	Isotope_Atom_Count	0
426756	Hydrogen_Bond_Donor_Count	4
35676	Hydrogen_Bond_Donor_Count	2
520682	Non-hydrogen_Atom_Count	7
1667	Hydrogen_Bond_Acceptor_Count	5
11306073	Covalent_Unit_Count	3
129009973	Hydrogen_Bond_Acceptor_Count	4
11949689	Tautomer_Count	1
15257141	Total_Formal_Charge	0
1374121	Non-hydrogen_Atom_Count	33
141379122	Exact_Mass	111.043261792
57091294	Hydrogen_Bond_Acceptor_Count	3
90472770	Total_Formal_Charge	0
122767	Isotope_Atom_Count	0
71158	Isotope_Atom_Count	0
67361	Hydrogen_Bond_Acceptor_Count	3
65388	Hydrogen_Bond_Acceptor_Count	5
3085218	Non-hydrogen_Atom_Count	20
65246	Non-hydrogen_Atom_Count	16
9577004	Rotatable_Bond_Count	1
67818	Structure_Complexity	448
6419962	Covalent_Unit_Count	2
71541190	Structure_Complexity	230
391139	Undefined_Bond_Stereo_Count	0
6101	Mono_Isotopic_Weight	172.01941529
519642	Molecular_Weight	110.18
31260	Isotope_Atom_Count	0
135398595	Hydrogen_Bond_Acceptor_Count	12
22720	Exact_Mass	103.099714038
71946	XLogP3-AA	2.5
89019320	Hydrogen_Bond_Donor_Count	1
92044406	Structure_Complexity	2410
71072081	Mono_Isotopic_Weight	504.1946483
2963	Rotatable_Bond_Count	1
6431	Covalent_Unit_Count	1
6539029	Undefined_Bond_Stereo_Count	0
44295739	Undefined_Atom_Stereo_Count	0
68137	Molecular_Weight	180.16
13582607	Isotope_Atom_Count	0
969097	Mono_Isotopic_Weight	288.11100700
3414	Mono_Isotopic_Weight	122.94833509
14300	Defined_Bond_Stereo_Count	0
565424	TPSA	37.3
78422638	Defined_Bond_Stereo_Count	0
22481847	Hydrogen_Bond_Acceptor_Count	2
36978	Structure_Complexity	340
14818447	Rotatable_Bond_Count	0
25324	XLogP3-AA	3.5
141281584	Exact_Mass	114.104465066
45484175	Structure_Complexity	638
69994	Defined_Atom_Stereo_Count	0
6745	Mono_Isotopic_Weight	414.386166214
145996525	Total_Formal_Charge	0
13804280	Defined_Bond_Stereo_Count	0
5438	Isotope_Atom_Count	0
179697	Tautomer_Count	4
20119162	Hydrogen_Bond_Donor_Count	2
69275	Tautomer_Count	1
123133975	Non-hydrogen_Atom_Count	57
14337	Mono_Isotopic_Weight	215.13438547
83953	Undefined_Atom_Stereo_Count	0
683214	XLogP3-AA	2.1
23661867	Exact_Mass	230.00135954
135403804	Hydrogen_Bond_Acceptor_Count	6
3282	Exact_Mass	165.078978594
44123456	Defined_Bond_Stereo_Count	0
9249	Structure_Complexity	91.2
44144434	Undefined_Bond_Stereo_Count	0
134694395	Undefined_Atom_Stereo_Count	3
104902	Defined_Atom_Stereo_Count	6
5071	Undefined_Atom_Stereo_Count	1
9457	Defined_Bond_Stereo_Count	0
52885	Hydrogen_Bond_Acceptor_Count	3
18506422	Rotatable_Bond_Count	2
86384	Covalent_Unit_Count	3
7683	Structure_Complexity	141
65573725	Exact_Mass	98.036779430
24470	Isotope_Atom_Count	0
11637983	Rotatable_Bond_Count	3
73072210	Isotope_Atom_Count	0
54767229	Hydrogen_Bond_Acceptor_Count	5
137784	XLogP3-AA	5.2
3954	Non-hydrogen_Atom_Count	34
7474	TPSA	45.8
71482	Molecular_Weight	324.68
4027	Covalent_Unit_Count	1
55113	Molecular_Weight	306.0
32154	Defined_Bond_Stereo_Count	0
12933341	Covalent_Unit_Count	1
12769779	Exact_Mass	127.06088375
137118	Total_Formal_Charge	0
13848	Covalent_Unit_Count	1
22450283	Isotope_Atom_Count	0
137719	Defined_Bond_Stereo_Count	0
6532434	Undefined_Atom_Stereo_Count	0
129827902	Defined_Bond_Stereo_Count	0
62465	Mono_Isotopic_Weight	152.083729621
65388	Undefined_Bond_Stereo_Count	0
62661	Tautomer_Count	1
79741	Non-hydrogen_Atom_Count	10
18442594	Structure_Complexity	57.7
5463858	Rotatable_Bond_Count	0
528612	Non-hydrogen_Atom_Count	8
156591873	Undefined_Atom_Stereo_Count	6
129754695	Hydrogen_Bond_Donor_Count	0
11457	Molecular_Weight	202.01
5744890	Defined_Atom_Stereo_Count	0
184653	Hydrogen_Bond_Acceptor_Count	1
14577976	Undefined_Atom_Stereo_Count	0
15775	Tautomer_Count	1
4555	Defined_Bond_Stereo_Count	0
13620760	Hydrogen_Bond_Acceptor_Count	4
136059	Defined_Bond_Stereo_Count	0
1022	Mono_Isotopic_Weight	312.137496527
44338979	Rotatable_Bond_Count	14
9899007	Undefined_Atom_Stereo_Count	0
38040	Undefined_Atom_Stereo_Count	0
136733	Covalent_Unit_Count	1
71464652	Structure_Complexity	463
3554	Hydrogen_Bond_Donor_Count	3
3792939	Structure_Complexity	0
52949803	Mono_Isotopic_Weight	388.11693871
64692	Hydrogen_Bond_Donor_Count	1
23716436	Undefined_Bond_Stereo_Count	0
51030901	Exact_Mass	446.14265630
3530398	Hydrogen_Bond_Donor_Count	0
316473	Hydrogen_Bond_Donor_Count	1
4731	Non-hydrogen_Atom_Count	24
12940701	Rotatable_Bond_Count	7
62078	Total_Formal_Charge	0
2006	Non-hydrogen_Atom_Count	17
15256279	Defined_Bond_Stereo_Count	0
146743267	XLogP3-AA	1
75705	Defined_Bond_Stereo_Count	0
61136	Undefined_Bond_Stereo_Count	0
9980551	Exact_Mass	437.0003825
329	Hydrogen_Bond_Acceptor_Count	8
3179255	XLogP3-AA	3.7
382975	Undefined_Atom_Stereo_Count	1
5366352	XLogP3-AA	2.6
129864962	Structure_Complexity	399
61571	Hydrogen_Bond_Donor_Count	0
2779024	Isotope_Atom_Count	0
68842	Tautomer_Count	4
6264	Covalent_Unit_Count	1
54246209	Undefined_Bond_Stereo_Count	0
628904	Hydrogen_Bond_Donor_Count	1
99451	Structure_Complexity	182
36245	TPSA	35.2
84072504	Mono_Isotopic_Weight	113.047678466
17040	Exact_Mass	179.094628657
126843096	Total_Formal_Charge	0
277767	TPSA	54.4
70717	Molecular_Weight	113.11
6918788	Hydrogen_Bond_Donor_Count	1
15529	Hydrogen_Bond_Donor_Count	1
447213	Exact_Mass	151.099714038
540335	Total_Formal_Charge	0
978766	Exact_Mass	429.05105
3080772	Mono_Isotopic_Weight	206.08037557
154511	Total_Formal_Charge	0
3758	Covalent_Unit_Count	1
1937	Rotatable_Bond_Count	4
17457	Hydrogen_Bond_Donor_Count	0
76442017	Structure_Complexity	92.7
55299692	Undefined_Atom_Stereo_Count	1
27670	Defined_Atom_Stereo_Count	0
67497	Mono_Isotopic_Weight	184.03467143
13940	Hydrogen_Bond_Donor_Count	0
122121	Tautomer_Count	1
4133	Defined_Atom_Stereo_Count	0
31736	XLogP3	3.3
2073	Non-hydrogen_Atom_Count	24
7081	Hydrogen_Bond_Donor_Count	2
3031	Undefined_Atom_Stereo_Count	0
444742	Undefined_Bond_Stereo_Count	0
323188	Covalent_Unit_Count	1
132279451	TPSA	91
20056950	Covalent_Unit_Count	1
90487065	Molecular_Weight	112.13
25013898	Undefined_Atom_Stereo_Count	3
10937610	Isotope_Atom_Count	0
71463826	Isotope_Atom_Count	0
20477345	Defined_Atom_Stereo_Count	0
53323370	Non-hydrogen_Atom_Count	34
31369	Undefined_Atom_Stereo_Count	0
1069125	Undefined_Bond_Stereo_Count	0
97860	Hydrogen_Bond_Acceptor_Count	3
68648	Molecular_Weight	292.4
55285315	Defined_Atom_Stereo_Count	0
20943	Mono_Isotopic_Weight	366.07079941
76720	Tautomer_Count	1
184830	Molecular_Weight	114.14
66384	Hydrogen_Bond_Donor_Count	0
3776	Hydrogen_Bond_Acceptor_Count	1
10176108	Non-hydrogen_Atom_Count	7
3034372	Molecular_Weight	166.20
96701	Hydrogen_Bond_Donor_Count	1
68321924	Covalent_Unit_Count	1
61363	Structure_Complexity	1610
14830385	Undefined_Bond_Stereo_Count	0
57043	Mono_Isotopic_Weight	470.29669976
11569158	Defined_Bond_Stereo_Count	0
26175	Tautomer_Count	1
18368760	Rotatable_Bond_Count	2
13400657	Undefined_Atom_Stereo_Count	1
11084068	Tautomer_Count	1
23692768	Defined_Atom_Stereo_Count	0
72424	Rotatable_Bond_Count	20
2723942	TPSA	113
29051	Exact_Mass	1084.47265329
54403482	Structure_Complexity	107
55299073	Molecular_Weight	113.11
10872638	Rotatable_Bond_Count	3
35365	Total_Formal_Charge	0
449093	Undefined_Bond_Stereo_Count	0
6419930	XLogP3	0.6
71458922	Mono_Isotopic_Weight	462.27432435
23730803	Hydrogen_Bond_Donor_Count	2
6436870	Molecular_Weight	393.5
3467	Total_Formal_Charge	0
59009	Undefined_Bond_Stereo_Count	0
10176730	Mono_Isotopic_Weight	213.0071819
54368096	Non-hydrogen_Atom_Count	7
85764696	Undefined_Atom_Stereo_Count	0
14925	Molecular_Weight	176.12
85906	Undefined_Bond_Stereo_Count	0
403646	Mono_Isotopic_Weight	330.03678
12150354	Undefined_Bond_Stereo_Count	0
21634	Exact_Mass	207.162314293
5826113	Isotope_Atom_Count	0
14151226	Non-hydrogen_Atom_Count	8
69685	Defined_Bond_Stereo_Count	0
54309225	Structure_Complexity	50
77579	Defined_Atom_Stereo_Count	0
14269	Undefined_Bond_Stereo_Count	0
22459174	Mono_Isotopic_Weight	113.03375974
87184	Defined_Bond_Stereo_Count	0
41505	Defined_Bond_Stereo_Count	0
165971	TPSA	3
89053264	Rotatable_Bond_Count	1
15914	Defined_Bond_Stereo_Count	0
66803155	Exact_Mass	711.29042790
6154	Exact_Mass	373.27809293
2135	Undefined_Bond_Stereo_Count	0
123381573	Mono_Isotopic_Weight	86.048012819
1013432	TPSA	109
118360945	Hydrogen_Bond_Donor_Count	0
139942026	Hydrogen_Bond_Acceptor_Count	1
12180	Isotope_Atom_Count	0
9254	Hydrogen_Bond_Acceptor_Count	2
117965	Rotatable_Bond_Count	5
497380	Defined_Bond_Stereo_Count	0
68672	Undefined_Atom_Stereo_Count	1
131843960	Molecular_Weight	461.8
6420010	Undefined_Bond_Stereo_Count	0
225	Rotatable_Bond_Count	0
53321481	Covalent_Unit_Count	1
123	Hydrogen_Bond_Donor_Count	3
56665391	XLogP3-AA	4.8
23552407	Hydrogen_Bond_Acceptor_Count	2
3083671	Molecular_Weight	282.36
13165569	Structure_Complexity	103
9574343	Non-hydrogen_Atom_Count	36
13040869	Covalent_Unit_Count	1
5288706	Exact_Mass	485.27536898
520711	TPSA	12
11500493	Hydrogen_Bond_Donor_Count	2
2723949	Mono_Isotopic_Weight	75.01427034
9917	Tautomer_Count	1
89408	XLogP3-AA	3.3
3983	Rotatable_Bond_Count	24
66678	Defined_Bond_Stereo_Count	0
10478	Undefined_Bond_Stereo_Count	0
6519	Hydrogen_Bond_Donor_Count	4
12751986	Exact_Mass	108.068748264
3646	Undefined_Atom_Stereo_Count	0
4812	Undefined_Bond_Stereo_Count	1
82202	Covalent_Unit_Count	1
9434	Tautomer_Count	1
54231313	Hydrogen_Bond_Donor_Count	1
43193	Hydrogen_Bond_Donor_Count	0
75947	Exact_Mass	219.9281244
54502555	Defined_Bond_Stereo_Count	0
104973	Covalent_Unit_Count	1
21862291	Rotatable_Bond_Count	4
444314	Total_Formal_Charge	0
6553	Hydrogen_Bond_Donor_Count	0
4423	Structure_Complexity	549
147097491	Hydrogen_Bond_Donor_Count	0
123692	Defined_Atom_Stereo_Count	0
143852	Structure_Complexity	91.2
192988	Defined_Bond_Stereo_Count	0
58125087	Molecular_Weight	109.13
15222234	Covalent_Unit_Count	1
76292	Undefined_Atom_Stereo_Count	0
5323604	Rotatable_Bond_Count	2
11294	Rotatable_Bond_Count	3
54321	Rotatable_Bond_Count	4
71751164	Undefined_Atom_Stereo_Count	0
105426931	Covalent_Unit_Count	1
86821	TPSA	20.2
1551097	Structure_Complexity	385
12600	Hydrogen_Bond_Donor_Count	6
12040	XLogP3-AA	2.2
85608271	Non-hydrogen_Atom_Count	8
25244520	Undefined_Atom_Stereo_Count	0
137426	Undefined_Bond_Stereo_Count	0
22819	Non-hydrogen_Atom_Count	10
7890	Hydrogen_Bond_Donor_Count	0
71905	Isotope_Atom_Count	0
19044091	Undefined_Atom_Stereo_Count	0
67614074	Rotatable_Bond_Count	1
2771758	Defined_Bond_Stereo_Count	0
7909	Total_Formal_Charge	0
53856389	XLogP3-AA	1.1
67247849	Undefined_Bond_Stereo_Count	0
3844264	XLogP3-AA	2.1
12596780	TPSA	17.1
6819	Hydrogen_Bond_Acceptor_Count	6
37247	Covalent_Unit_Count	1
40472	Hydrogen_Bond_Donor_Count	0
130904	Mono_Isotopic_Weight	475.27225866
23674215	Non-hydrogen_Atom_Count	18
129320263	Defined_Bond_Stereo_Count	0
11263492	Isotope_Atom_Count	0
15206928	Isotope_Atom_Count	0
5476374	Structure_Complexity	34.5
12910381	Covalent_Unit_Count	1
67258795	Hydrogen_Bond_Donor_Count	0
78006	TPSA	0
64934	TPSA	221
198140	Exact_Mass	215.105862047
33671	Total_Formal_Charge	0
53670643	Defined_Bond_Stereo_Count	0
4097	Total_Formal_Charge	1
50385	Molecular_Weight	364.4
73110	Mono_Isotopic_Weight	569.0756554
44154493	Non-hydrogen_Atom_Count	30
62583	Defined_Bond_Stereo_Count	0
4943	Undefined_Bond_Stereo_Count	0
572331	Defined_Atom_Stereo_Count	0
26314	Total_Formal_Charge	0
20439251	Defined_Bond_Stereo_Count	0
119196	Exact_Mass	595.20536087
45190	Total_Formal_Charge	0
5319422	Hydrogen_Bond_Acceptor_Count	5
14717865	Exact_Mass	110.084398327
656892	Undefined_Atom_Stereo_Count	0
136135	Hydrogen_Bond_Donor_Count	0
73356	Hydrogen_Bond_Donor_Count	2
5388993	Rotatable_Bond_Count	10
71462389	Total_Formal_Charge	0
117947097	Exact_Mass	383.04391352
15801221	Undefined_Bond_Stereo_Count	0
91102603	Total_Formal_Charge	0
6693	Isotope_Atom_Count	0
419490	Exact_Mass	125.047678466
9898279	Defined_Bond_Stereo_Count	0
61012	Hydrogen_Bond_Donor_Count	0
22002061	Non-hydrogen_Atom_Count	8
10678193	Non-hydrogen_Atom_Count	7
40634	TPSA	66.8
5464090	TPSA	159
123809	Defined_Bond_Stereo_Count	0
154416437	Undefined_Atom_Stereo_Count	2
22522	Covalent_Unit_Count	1
31203	Structure_Complexity	291
7566944	Covalent_Unit_Count	1
12632903	Molecular_Weight	83.13
18008584	Exact_Mass	99.104799419
2440	Isotope_Atom_Count	0
14195	Isotope_Atom_Count	0
2845	Undefined_Atom_Stereo_Count	5
2883	Hydrogen_Bond_Donor_Count	0
56987624	XLogP3-AA	0.4
87565291	Undefined_Bond_Stereo_Count	0
60982	Tautomer_Count	13
22725651	Structure_Complexity	119
11197931	Isotope_Atom_Count	0
5361090	Hydrogen_Bond_Acceptor_Count	3
12456033	Structure_Complexity	175
2728077	Exact_Mass	215.094628657
9577585	Isotope_Atom_Count	0
20787	Undefined_Atom_Stereo_Count	0
12701401	Mono_Isotopic_Weight	112.088815002
428338	Defined_Bond_Stereo_Count	0
16219444	Undefined_Bond_Stereo_Count	0
23672329	Undefined_Atom_Stereo_Count	0
71307	Total_Formal_Charge	0
17298	Molecular_Weight	219.28
3087722	Undefined_Atom_Stereo_Count	0
10034577	Isotope_Atom_Count	0
968609	Exact_Mass	336.06023472
80487728	Defined_Atom_Stereo_Count	0
6173	Exact_Mass	422.19877662
22749	XLogP3-AA	2
20056440	Structure_Complexity	702
75240	Rotatable_Bond_Count	1
92660	Molecular_Weight	246.09
7499	Non-hydrogen_Atom_Count	8
53752206	Undefined_Bond_Stereo_Count	1
5489948	Hydrogen_Bond_Acceptor_Count	13
122706054	Hydrogen_Bond_Acceptor_Count	20
5709759	Structure_Complexity	474
127909	Defined_Bond_Stereo_Count	0
5282761	Isotope_Atom_Count	0
136253316	Defined_Atom_Stereo_Count	1
44119602	Molecular_Weight	108.10
119093923	Structure_Complexity	131
11815296	Undefined_Atom_Stereo_Count	0
163050678	Mono_Isotopic_Weight	284.16237386
139254656	Hydrogen_Bond_Donor_Count	2
54685141	Total_Formal_Charge	0
11285653	Tautomer_Count	1
2156	Non-hydrogen_Atom_Count	31
138394156	Hydrogen_Bond_Acceptor_Count	8
25256833	Non-hydrogen_Atom_Count	20
90470563	Hydrogen_Bond_Donor_Count	0
17432	Hydrogen_Bond_Donor_Count	0
6433334	Exact_Mass	434.08412
21591456	Non-hydrogen_Atom_Count	16
30143	Defined_Bond_Stereo_Count	0
134824657	Defined_Bond_Stereo_Count	0
132278564	Mono_Isotopic_Weight	276.03336507
1017	Total_Formal_Charge	0
34409	Non-hydrogen_Atom_Count	26
87187677	Undefined_Atom_Stereo_Count	1
56032	Hydrogen_Bond_Donor_Count	1
1050	Total_Formal_Charge	0
78933	Non-hydrogen_Atom_Count	25
320263	Defined_Atom_Stereo_Count	0
10833	Total_Formal_Charge	0
21991095	Undefined_Bond_Stereo_Count	0
89181	Exact_Mass	142.135765193
21938314	Defined_Bond_Stereo_Count	0
119097769	TPSA	26.3
51029604	Rotatable_Bond_Count	2
153386860	Non-hydrogen_Atom_Count	8
56638112	Defined_Atom_Stereo_Count	0
101859897	Hydrogen_Bond_Donor_Count	3
5283393	Hydrogen_Bond_Acceptor_Count	1
148539	Rotatable_Bond_Count	0
74067	Rotatable_Bond_Count	1
159747	Structure_Complexity	50.4
122738	TPSA	221
9535	Defined_Bond_Stereo_Count	0
5361309	Non-hydrogen_Atom_Count	30
121246104	TPSA	26.3
1252769	Exact_Mass	110.02286070
10964	Covalent_Unit_Count	1
33099	Defined_Atom_Stereo_Count	0
313215	Defined_Atom_Stereo_Count	0
11664966	Defined_Bond_Stereo_Count	2
24901143	Mono_Isotopic_Weight	483.1383406
9661	Molecular_Weight	181.23
18442762	Hydrogen_Bond_Acceptor_Count	2
122361564	XLogP3-AA	5.9
10618	Undefined_Bond_Stereo_Count	0
10430	XLogP3	1.2
61810	Hydrogen_Bond_Donor_Count	1
14770	Hydrogen_Bond_Acceptor_Count	0
43899	Mono_Isotopic_Weight	626.15537
107758	Hydrogen_Bond_Acceptor_Count	18
5484735	Tautomer_Count	14
13293131	Exact_Mass	109.052763847
286595	Non-hydrogen_Atom_Count	9
21580808	Molecular_Weight	273.37
46224603	Undefined_Bond_Stereo_Count	0
126977538	Rotatable_Bond_Count	2
164158597	Defined_Bond_Stereo_Count	0
22380788	Covalent_Unit_Count	1
130165	Hydrogen_Bond_Donor_Count	1
5738	Defined_Bond_Stereo_Count	0
11908489	Non-hydrogen_Atom_Count	23
166558	Mono_Isotopic_Weight	501.29128003
138107735	Structure_Complexity	756
91740	Isotope_Atom_Count	0
9874874	Total_Formal_Charge	0
6654	Non-hydrogen_Atom_Count	10
121734	XLogP3-AA	2.3
14081616	Total_Formal_Charge	0
3734	Structure_Complexity	583
25015463	Structure_Complexity	801
14300	Isotope_Atom_Count	0
42438	Undefined_Bond_Stereo_Count	0
141251795	Structure_Complexity	162
72568	TPSA	37.4
4992	Hydrogen_Bond_Donor_Count	0
23182368	Molecular_Weight	100.08
72886	Structure_Complexity	214
5729	Non-hydrogen_Atom_Count	16
71762	Tautomer_Count	1001
31370	Mono_Isotopic_Weight	94.0185425
10920542	Isotope_Atom_Count	0
3563	Non-hydrogen_Atom_Count	23
267898	Molecular_Weight	204.23
8128	Hydrogen_Bond_Donor_Count	0
44661643	Molecular_Weight	665.7
67643801	Defined_Atom_Stereo_Count	0
9210	Undefined_Bond_Stereo_Count	0
102029	Hydrogen_Bond_Donor_Count	1
19431	Exact_Mass	272.99816207
4506	Undefined_Bond_Stereo_Count	0
73114967	Undefined_Atom_Stereo_Count	4
145454	Covalent_Unit_Count	1
10105	Undefined_Bond_Stereo_Count	0
136053758	Undefined_Bond_Stereo_Count	1
53678373	Undefined_Bond_Stereo_Count	0
4578030	Mono_Isotopic_Weight	300.13615911
95010	Covalent_Unit_Count	1
20055804	Tautomer_Count	2
18597	Non-hydrogen_Atom_Count	11
891	Undefined_Atom_Stereo_Count	0
1711973	XLogP3	5.5
29878	Mono_Isotopic_Weight	183.03539970
5497143	Defined_Atom_Stereo_Count	5
70220	Rotatable_Bond_Count	2
56935	Defined_Atom_Stereo_Count	0
1094	Hydrogen_Bond_Donor_Count	4
85605344	Hydrogen_Bond_Acceptor_Count	1
23277877	Total_Formal_Charge	0
73330464	Tautomer_Count	3
44631912	Molecular_Weight	434.5
11477084	Defined_Atom_Stereo_Count	0
15411	Isotope_Atom_Count	0
9630	Total_Formal_Charge	0
66885	Hydrogen_Bond_Donor_Count	2
119097350	Exact_Mass	96.057514874
424747	Hydrogen_Bond_Acceptor_Count	3
66614	Total_Formal_Charge	0
9865808	Undefined_Bond_Stereo_Count	0
44324941	Undefined_Bond_Stereo_Count	0
68120	Rotatable_Bond_Count	1
13737991	Molecular_Weight	88.11
57999543	Exact_Mass	100.100048391
54708862	Undefined_Bond_Stereo_Count	0
9954410	Isotope_Atom_Count	0
71300750	Structure_Complexity	533
2180	Tautomer_Count	1
87468080	Structure_Complexity	124
22286946	Undefined_Atom_Stereo_Count	1
17928	Rotatable_Bond_Count	0
73895	Tautomer_Count	1
102059952	Undefined_Atom_Stereo_Count	0
192435	Isotope_Atom_Count	0
135005	Mono_Isotopic_Weight	196.063662883
118460906	Defined_Atom_Stereo_Count	6
123357638	Hydrogen_Bond_Acceptor_Count	2
45270539	Undefined_Atom_Stereo_Count	0
5659	Non-hydrogen_Atom_Count	22
15678	Isotope_Atom_Count	0
10862733	Isotope_Atom_Count	3
656603	Total_Formal_Charge	1
7530	TPSA	9.2
137295261	Covalent_Unit_Count	1
12088	Defined_Atom_Stereo_Count	0
23687810	TPSA	53
57930746	Defined_Atom_Stereo_Count	0
108074	Covalent_Unit_Count	1
14502695	Molecular_Weight	109.17
4675622	Hydrogen_Bond_Acceptor_Count	4
124173720	Molecular_Weight	407.4
129861481	Rotatable_Bond_Count	0
24846	Molecular_Weight	164.14
98488	Tautomer_Count	3
135	Rotatable_Bond_Count	1
61614676	TPSA	71.1
5311341	Non-hydrogen_Atom_Count	35
627812	Undefined_Atom_Stereo_Count	1
31492	Hydrogen_Bond_Acceptor_Count	2
9857256	Non-hydrogen_Atom_Count	18
8271	Covalent_Unit_Count	1
21058179	Defined_Bond_Stereo_Count	0
1310	Isotope_Atom_Count	0
609492	TPSA	12.9
87639	Hydrogen_Bond_Acceptor_Count	0
486	Structure_Complexity	198
65718	Undefined_Atom_Stereo_Count	0
46936680	Isotope_Atom_Count	0
53384934	Isotope_Atom_Count	0
82291	Covalent_Unit_Count	2
107969	Hydrogen_Bond_Acceptor_Count	3
24744154	Defined_Bond_Stereo_Count	0
84002	Structure_Complexity	335
77	Undefined_Bond_Stereo_Count	0
10582477	Covalent_Unit_Count	1
15547628	Undefined_Atom_Stereo_Count	0
83899	Defined_Atom_Stereo_Count	0
229126	Defined_Bond_Stereo_Count	0
6710664	Total_Formal_Charge	0
3068367	Structure_Complexity	756
347590	Mono_Isotopic_Weight	180.07211956
3440	Undefined_Bond_Stereo_Count	0
153274329	Undefined_Bond_Stereo_Count	0
99646	Hydrogen_Bond_Donor_Count	0
25010556	Total_Formal_Charge	1
24729333	XLogP3-AA	1.5
129010376	Hydrogen_Bond_Acceptor_Count	5
67711	Defined_Atom_Stereo_Count	0
10658	Covalent_Unit_Count	1
5364420	Defined_Bond_Stereo_Count	1
10942334	Rotatable_Bond_Count	0
68868	TPSA	80.7
68321874	Structure_Complexity	582
71228	Tautomer_Count	6
53981464	Undefined_Bond_Stereo_Count	0
58645437	Hydrogen_Bond_Acceptor_Count	0
135465069	Tautomer_Count	4
589314	Undefined_Bond_Stereo_Count	0
53386	Covalent_Unit_Count	1
72200758	Hydrogen_Bond_Donor_Count	3
12581088	Molecular_Weight	110.16
99058	Tautomer_Count	10
23510138	Non-hydrogen_Atom_Count	7
10471931	Defined_Atom_Stereo_Count	0
4839	Rotatable_Bond_Count	6
34208	Defined_Bond_Stereo_Count	0
47896	Exact_Mass	597.0568692
9839519	XLogP3-AA	4.2
89274700	Structure_Complexity	110
55288363	TPSA	29.1
86592	Defined_Bond_Stereo_Count	0
11729	Structure_Complexity	61.8
7204	Undefined_Bond_Stereo_Count	0
15909	Molecular_Weight	146.19
264090	Undefined_Bond_Stereo_Count	0
66599	Tautomer_Count	15
13031981	Hydrogen_Bond_Acceptor_Count	2
138752609	Total_Formal_Charge	0
350825	Hydrogen_Bond_Donor_Count	0
213021	TPSA	52.3
13527	Defined_Bond_Stereo_Count	0
57265913	Molecular_Weight	112.17
11442891	Hydrogen_Bond_Acceptor_Count	6
3140955	Undefined_Bond_Stereo_Count	0
5284650	Non-hydrogen_Atom_Count	15
11789162	Hydrogen_Bond_Donor_Count	1
93251	Undefined_Atom_Stereo_Count	0
42040	Non-hydrogen_Atom_Count	15
3037206	Undefined_Bond_Stereo_Count	0
2756808	Rotatable_Bond_Count	2
74754	Structure_Complexity	396
231040	Non-hydrogen_Atom_Count	14
85370	Structure_Complexity	166
410906	Undefined_Atom_Stereo_Count	0
6918091	Defined_Bond_Stereo_Count	0
183	Undefined_Bond_Stereo_Count	10
20157043	Rotatable_Bond_Count	0
22719613	XLogP3-AA	0.9
5367805	Structure_Complexity	106
23714994	Exact_Mass	240.07623855
1792	XLogP3	2.2
1505	Defined_Atom_Stereo_Count	0
16211654	Hydrogen_Bond_Acceptor_Count	1
1340	Undefined_Bond_Stereo_Count	0
21800	Tautomer_Count	6
727	Structure_Complexity	104
158785912	Hydrogen_Bond_Donor_Count	5
105426997	Rotatable_Bond_Count	1
102032439	Rotatable_Bond_Count	2
7058	Isotope_Atom_Count	0
42552694	Rotatable_Bond_Count	4
66949337	Structure_Complexity	122
57401682	Isotope_Atom_Count	0
17963347	Covalent_Unit_Count	1
57667	Isotope_Atom_Count	0
361739	TPSA	34.1
66576989	Undefined_Atom_Stereo_Count	0
126755973	Hydrogen_Bond_Acceptor_Count	2
36014	Exact_Mass	285.10921
55220664	Defined_Atom_Stereo_Count	0
139179563	Covalent_Unit_Count	2
64765	Tautomer_Count	1
68702	Molecular_Weight	266.30
3345	Non-hydrogen_Atom_Count	25
132305	Hydrogen_Bond_Acceptor_Count	7
5015763	Undefined_Bond_Stereo_Count	0
2724588	Defined_Bond_Stereo_Count	0
68207	Rotatable_Bond_Count	1
164633	Rotatable_Bond_Count	2
9903970	Structure_Complexity	363
56955187	Hydrogen_Bond_Donor_Count	1
131664126	Defined_Atom_Stereo_Count	0
175988	Tautomer_Count	1
39212	Rotatable_Bond_Count	9
274730	Hydrogen_Bond_Acceptor_Count	7
11744644	Hydrogen_Bond_Donor_Count	3
134988089	Undefined_Atom_Stereo_Count	2
5282411	TPSA	87
448545	Defined_Bond_Stereo_Count	0
44552607	Undefined_Atom_Stereo_Count	1
6211	Non-hydrogen_Atom_Count	9
62413	Covalent_Unit_Count	2
441174	XLogP3-AA	2.4
18175195	Undefined_Atom_Stereo_Count	0
904	Hydrogen_Bond_Acceptor_Count	1
25380	Defined_Bond_Stereo_Count	0
132420	TPSA	70
64350	Covalent_Unit_Count	2
11643846	Structure_Complexity	2330
73005	Covalent_Unit_Count	1
24802163	Defined_Atom_Stereo_Count	3
4683067	Undefined_Bond_Stereo_Count	0
139066803	Defined_Atom_Stereo_Count	0
16058752	Defined_Bond_Stereo_Count	0
66136	Total_Formal_Charge	0
41170	Undefined_Bond_Stereo_Count	0
6777	Hydrogen_Bond_Acceptor_Count	4
86873	Defined_Bond_Stereo_Count	0
122669	Total_Formal_Charge	0
155903765	Hydrogen_Bond_Donor_Count	4
92877	Mono_Isotopic_Weight	276.245315640
6051	TPSA	50.7
118578546	Hydrogen_Bond_Acceptor_Count	2
18798586	Rotatable_Bond_Count	2
17355	Molecular_Weight	148.20
131750190	Molecular_Weight	1674.8
69020	Undefined_Atom_Stereo_Count	0
20056682	Total_Formal_Charge	0
1470718	TPSA	57.1
20530042	Isotope_Atom_Count	0
18506387	Hydrogen_Bond_Donor_Count	2
444795	Total_Formal_Charge	0
71463896	Undefined_Bond_Stereo_Count	0
65335	Non-hydrogen_Atom_Count	18
83619503	Undefined_Bond_Stereo_Count	0
54036153	Molecular_Weight	111.14
70385	Undefined_Atom_Stereo_Count	0
40479693	Covalent_Unit_Count	1
142967978	Defined_Bond_Stereo_Count	0
77408	Exact_Mass	152.120115130
56205	Structure_Complexity	672
10145345	Hydrogen_Bond_Donor_Count	0
83287	Undefined_Bond_Stereo_Count	0
12289998	Non-hydrogen_Atom_Count	8
9868491	Tautomer_Count	1
4293071	Defined_Bond_Stereo_Count	0
10343454	XLogP3-AA	4.6
20531373	Structure_Complexity	72.9
68546	Defined_Atom_Stereo_Count	0
129691409	Hydrogen_Bond_Donor_Count	3
75796	Non-hydrogen_Atom_Count	28
48918	Total_Formal_Charge	0
10948203	Covalent_Unit_Count	1
91886115	Hydrogen_Bond_Acceptor_Count	5
71449750	Mono_Isotopic_Weight	467.21686904
23532162	Hydrogen_Bond_Acceptor_Count	1
10288822	Undefined_Atom_Stereo_Count	0
2724372	Exact_Mass	294.173213330
930	Exact_Mass	745.09110351
22341858	Hydrogen_Bond_Donor_Count	2
16212969	Defined_Bond_Stereo_Count	2
23663979	Hydrogen_Bond_Donor_Count	2
6432649	Undefined_Bond_Stereo_Count	0
153834924	Rotatable_Bond_Count	0
5754	Total_Formal_Charge	0
8121	Defined_Atom_Stereo_Count	0
2733531	Total_Formal_Charge	0
57061642	Molecular_Weight	103.08
1056	Mono_Isotopic_Weight	82.053098200
62705862	Total_Formal_Charge	0
6852393	Molecular_Weight	272.4
69808	Molecular_Weight	114.26
15272297	Undefined_Atom_Stereo_Count	0
14041489	Isotope_Atom_Count	0
151	Exact_Mass	314.05151706
71512	Rotatable_Bond_Count	5
9577272	Isotope_Atom_Count	0
5146	Exact_Mass	124.052429494
1449	Undefined_Atom_Stereo_Count	0
29982856	TPSA	190
446400	Structure_Complexity	604
6378649	Exact_Mass	156.115029749
48229	Non-hydrogen_Atom_Count	30
411828	TPSA	12.5
18736933	Defined_Bond_Stereo_Count	0
154824336	Undefined_Bond_Stereo_Count	0
16002	Defined_Bond_Stereo_Count	0
86015488	Non-hydrogen_Atom_Count	8
49654	Isotope_Atom_Count	0
3022	Non-hydrogen_Atom_Count	19
78638	Hydrogen_Bond_Acceptor_Count	3
66586218	Defined_Atom_Stereo_Count	3
60769	Structure_Complexity	512
35161	Defined_Bond_Stereo_Count	0
25127622	Isotope_Atom_Count	0
15276695	Isotope_Atom_Count	0
62583	Isotope_Atom_Count	0
76963096	Covalent_Unit_Count	2
18384	Covalent_Unit_Count	1
22965786	Mono_Isotopic_Weight	98.073164938
22749	Non-hydrogen_Atom_Count	8
126968498	Defined_Bond_Stereo_Count	0
5281065	Non-hydrogen_Atom_Count	60
69401251	Total_Formal_Charge	0
23866	Defined_Bond_Stereo_Count	0
121750	TPSA	98.5
67899	Defined_Bond_Stereo_Count	0
69990	Covalent_Unit_Count	1
291730	Hydrogen_Bond_Acceptor_Count	8
69014	Defined_Bond_Stereo_Count	0
65614	Tautomer_Count	4
5281672	Rotatable_Bond_Count	1
10073306	XLogP3-AA	1.8
20654321	Undefined_Atom_Stereo_Count	2
57357187	TPSA	86.7
146159249	Non-hydrogen_Atom_Count	27
94343	Hydrogen_Bond_Donor_Count	0
85862	Rotatable_Bond_Count	4
121494058	Defined_Atom_Stereo_Count	4
60196313	Undefined_Bond_Stereo_Count	0
146131	Structure_Complexity	228
11503972	Exact_Mass	324.14739250
526739	Hydrogen_Bond_Donor_Count	0
6950199	Covalent_Unit_Count	1
67247924	Molecular_Weight	112.13
13069	Rotatable_Bond_Count	0
24825266	Undefined_Atom_Stereo_Count	0
54760314	Rotatable_Bond_Count	3
21116680	Tautomer_Count	2
657087	Defined_Atom_Stereo_Count	1
3456	Hydrogen_Bond_Acceptor_Count	3
75516	Undefined_Atom_Stereo_Count	0
4643	Molecular_Weight	362.5
3639	Rotatable_Bond_Count	1
477	Undefined_Atom_Stereo_Count	4
7239	Isotope_Atom_Count	0
135410917	Defined_Bond_Stereo_Count	0
1497	Total_Formal_Charge	0
6436126	Total_Formal_Charge	0
135911835	Hydrogen_Bond_Donor_Count	1
21872023	Hydrogen_Bond_Donor_Count	6
25164108	Isotope_Atom_Count	0
16976	Mono_Isotopic_Weight	139.026943022
94320	Defined_Bond_Stereo_Count	0
3816	Hydrogen_Bond_Donor_Count	3
643209	Undefined_Atom_Stereo_Count	0
12705073	Undefined_Bond_Stereo_Count	0
32350	Hydrogen_Bond_Acceptor_Count	12
10162742	Hydrogen_Bond_Donor_Count	2
67598	Hydrogen_Bond_Donor_Count	0
144798	Structure_Complexity	37.5
102239760	Hydrogen_Bond_Acceptor_Count	7
55286536	Mono_Isotopic_Weight	113.058911855
75776	Tautomer_Count	1
46877881	Hydrogen_Bond_Donor_Count	9
133676174	Structure_Complexity	72.5
144525	Isotope_Atom_Count	0
88784945	Rotatable_Bond_Count	2
71795	Exact_Mass	324.183778013
89074	Molecular_Weight	377.06
22013662	Covalent_Unit_Count	1
137184495	Covalent_Unit_Count	1
154081962	Defined_Bond_Stereo_Count	0
45358001	Total_Formal_Charge	0
11725479	Defined_Atom_Stereo_Count	0
147285	Defined_Bond_Stereo_Count	0
2734680	Molecular_Weight	562.0
9904746	Total_Formal_Charge	0
6643	Hydrogen_Bond_Donor_Count	1
1849	Non-hydrogen_Atom_Count	31
81784	Tautomer_Count	1
166585863	Defined_Atom_Stereo_Count	0
7629	Covalent_Unit_Count	1
66915701	Non-hydrogen_Atom_Count	15
44149909	Undefined_Bond_Stereo_Count	0
3936	Tautomer_Count	1
66053	Undefined_Atom_Stereo_Count	0
168354	Covalent_Unit_Count	1
40839	Defined_Atom_Stereo_Count	9
24915	Isotope_Atom_Count	0
55416	Undefined_Atom_Stereo_Count	0
65108	Defined_Atom_Stereo_Count	0
72693	Defined_Bond_Stereo_Count	0
88948	Defined_Atom_Stereo_Count	0
207286	XLogP3-AA	1.6
439231	Tautomer_Count	4
9926832	Defined_Atom_Stereo_Count	3
82938	Mono_Isotopic_Weight	247.895076
549278	XLogP3-AA	0.1
5373603	XLogP3-AA	2.6
90757303	Exact_Mass	93.057849228
11597	Defined_Bond_Stereo_Count	0
754	Undefined_Atom_Stereo_Count	1
49849523	Covalent_Unit_Count	1
22315763	Undefined_Atom_Stereo_Count	0
47217	Defined_Bond_Stereo_Count	0
56927879	Non-hydrogen_Atom_Count	104
5172	Undefined_Bond_Stereo_Count	0
61594	Hydrogen_Bond_Acceptor_Count	1
72155	Exact_Mass	307.1451400
11345	Defined_Bond_Stereo_Count	0
65702	Isotope_Atom_Count	0
23597592	Hydrogen_Bond_Donor_Count	1
3081358	TPSA	84.9
10329124	Covalent_Unit_Count	1
57475	Hydrogen_Bond_Donor_Count	2
91805	Rotatable_Bond_Count	1
59495	TPSA	29.1
578334	Undefined_Atom_Stereo_Count	0
12867427	Structure_Complexity	82.2
3636092	Structure_Complexity	205
11319223	Undefined_Atom_Stereo_Count	0
67556876	Defined_Bond_Stereo_Count	1
11951725	TPSA	108
9837674	Undefined_Atom_Stereo_Count	0
69968	Isotope_Atom_Count	0
10446567	XLogP3-AA	2.9
74370	Isotope_Atom_Count	0
68353	Hydrogen_Bond_Donor_Count	0
35687	Tautomer_Count	1
9895694	Mono_Isotopic_Weight	642.39203944
93055	Hydrogen_Bond_Donor_Count	2
445382	Defined_Atom_Stereo_Count	5
99049	Total_Formal_Charge	0
53432920	Undefined_Atom_Stereo_Count	0
2117002	Isotope_Atom_Count	0
57392503	Undefined_Bond_Stereo_Count	0
140147	Molecular_Weight	96.13
54136224	Molecular_Weight	108.10
72760	TPSA	98.8
13699300	Hydrogen_Bond_Donor_Count	0
21075956	Hydrogen_Bond_Donor_Count	0
5200289	Non-hydrogen_Atom_Count	7
135565471	Defined_Atom_Stereo_Count	4
44144477	Non-hydrogen_Atom_Count	115
69462939	Mono_Isotopic_Weight	112.063662883
2225	Molecular_Weight	388.4
7874	Defined_Atom_Stereo_Count	0
2317	Hydrogen_Bond_Donor_Count	4
17898580	Hydrogen_Bond_Acceptor_Count	2
444013	Isotope_Atom_Count	0
9828310	TPSA	114
10567	Molecular_Weight	126.97
87870867	Mono_Isotopic_Weight	113.047678466
10345790	Non-hydrogen_Atom_Count	32
91089431	Total_Formal_Charge	0
1522	Undefined_Bond_Stereo_Count	0
15308711	Isotope_Atom_Count	0
89753	Rotatable_Bond_Count	8
61865004	Rotatable_Bond_Count	3
6918282	Molecular_Weight	489.0
67249135	Hydrogen_Bond_Donor_Count	1
69808	Undefined_Atom_Stereo_Count	0
657308	Mono_Isotopic_Weight	411.14091
64143	Molecular_Weight	567.8
5282546	Molecular_Weight	493.5
2756017	Hydrogen_Bond_Donor_Count	1
66026334	Rotatable_Bond_Count	3
9984374	Covalent_Unit_Count	1
10887840	Defined_Atom_Stereo_Count	0
522536	Covalent_Unit_Count	1
237546	XLogP3-AA	0.1
2763750	Undefined_Bond_Stereo_Count	0
12358497	TPSA	12.5
11366953	Exact_Mass	94.078250319
409409	Defined_Bond_Stereo_Count	0
41684	XLogP3-AA	2
11078	TPSA	64.8
16758827	Hydrogen_Bond_Donor_Count	4
54496696	Defined_Atom_Stereo_Count	0
134990043	Non-hydrogen_Atom_Count	7
2031	Rotatable_Bond_Count	9
839611	Defined_Bond_Stereo_Count	0
5280805	Hydrogen_Bond_Donor_Count	10
23527	Molecular_Weight	114.19
7269	Undefined_Atom_Stereo_Count	0
7056	XLogP3	4.1
2762	TPSA	88.4
5369129	Hydrogen_Bond_Donor_Count	0
6993466	TPSA	40.1
101821629	Mono_Isotopic_Weight	127.964803
1140	Non-hydrogen_Atom_Count	7
54759	Covalent_Unit_Count	2
47547	Undefined_Atom_Stereo_Count	0
12515628	XLogP3-AA	0.9
265	Molecular_Weight	837.6
18196	Defined_Bond_Stereo_Count	0
2064030	Defined_Atom_Stereo_Count	0
15628	Undefined_Bond_Stereo_Count	0
10409	Hydrogen_Bond_Acceptor_Count	1
227260	Tautomer_Count	5
3034010	Defined_Bond_Stereo_Count	0
19657	Undefined_Atom_Stereo_Count	1
11809740	Hydrogen_Bond_Donor_Count	0
449035	Defined_Bond_Stereo_Count	0
20571541	Rotatable_Bond_Count	3
53432920	Hydrogen_Bond_Acceptor_Count	0
129891	Non-hydrogen_Atom_Count	10
19859	Hydrogen_Bond_Donor_Count	1
10131842	Undefined_Atom_Stereo_Count	0
13240724	TPSA	9.2
170501	Defined_Bond_Stereo_Count	0
12256	TPSA	9.2
35766	Rotatable_Bond_Count	6
21822	Rotatable_Bond_Count	3
135608329	Defined_Atom_Stereo_Count	0
11965427	Covalent_Unit_Count	1
60078648	TPSA	110
3085326	Undefined_Bond_Stereo_Count	0
339079	Undefined_Atom_Stereo_Count	0
439318	Exact_Mass	483.25404239
20234359	Covalent_Unit_Count	1
5062223	Defined_Atom_Stereo_Count	0
41017	Undefined_Atom_Stereo_Count	0
59896759	Molecular_Weight	225.15
24181458	Hydrogen_Bond_Acceptor_Count	8
24358	Isotope_Atom_Count	0
73949	Total_Formal_Charge	0
129674188	TPSA	68.4
4292413	Molecular_Weight	271.44
24705318	Exact_Mass	113.084063974
10253143	Molecular_Weight	449.3
144702	Total_Formal_Charge	0
2773	Non-hydrogen_Atom_Count	10
9554	Isotope_Atom_Count	0
86309268	Hydrogen_Bond_Acceptor_Count	7
1093	Structure_Complexity	646
10761	Total_Formal_Charge	0
57392964	Rotatable_Bond_Count	6
13379	Exact_Mass	142.172150702
89800161	XLogP3-AA	7.5
473148	Hydrogen_Bond_Donor_Count	2
82534	Tautomer_Count	1
5252031	Rotatable_Bond_Count	4
54054905	Rotatable_Bond_Count	0
735940	Total_Formal_Charge	0
5460570	Undefined_Bond_Stereo_Count	0
46936582	Hydrogen_Bond_Donor_Count	6
718	Isotope_Atom_Count	0
12642471	Defined_Atom_Stereo_Count	0
5284409	Structure_Complexity	350
54385745	Undefined_Atom_Stereo_Count	0
21248212	Covalent_Unit_Count	1
120070	Undefined_Atom_Stereo_Count	0
4627807	Mono_Isotopic_Weight	115.099714038
6259976	Mono_Isotopic_Weight	174.068079557
32966	Defined_Atom_Stereo_Count	0
11122452	Defined_Bond_Stereo_Count	0
50914184	TPSA	30.7
65125	TPSA	84.7
90479798	Defined_Bond_Stereo_Count	0
122241575	Undefined_Bond_Stereo_Count	0
314195	Exact_Mass	110.073164938
34081	Mono_Isotopic_Weight	640.21692861
300166	Structure_Complexity	125
193450	Rotatable_Bond_Count	4
10528103	Undefined_Atom_Stereo_Count	1
129675901	Structure_Complexity	226
61103	Hydrogen_Bond_Acceptor_Count	0
135391180	Structure_Complexity	1700
23671430	Defined_Bond_Stereo_Count	0
3614092	Hydrogen_Bond_Acceptor_Count	2
573419	Isotope_Atom_Count	0
136120826	Mono_Isotopic_Weight	98.02286070
20793238	Isotope_Atom_Count	0
20782632	Total_Formal_Charge	0
10517	Structure_Complexity	404
46942	Exact_Mass	204.220163521
24181099	Exact_Mass	490.99433960
20387231	Rotatable_Bond_Count	2
9956189	TPSA	88.6
11237985	Defined_Bond_Stereo_Count	0
71773962	Exact_Mass	363.1601214
12302694	Non-hydrogen_Atom_Count	23
27447	Isotope_Atom_Count	0
6262	Defined_Atom_Stereo_Count	1
101977	Molecular_Weight	156.26
58387740	TPSA	9.2
3705	Defined_Bond_Stereo_Count	0
1932	Defined_Atom_Stereo_Count	0
73166146	Isotope_Atom_Count	0
318158	Undefined_Bond_Stereo_Count	0
18819	Tautomer_Count	1
11241863	Total_Formal_Charge	0
825353	Total_Formal_Charge	0
5458730	Structure_Complexity	1210
184830	Hydrogen_Bond_Acceptor_Count	2
2520	Rotatable_Bond_Count	13
52942291	Defined_Atom_Stereo_Count	1
20587930	Exact_Mass	100.052429494
3037	Structure_Complexity	226
129784240	Exact_Mass	110.02286070
3300	Molecular_Weight	290.36
17734	Mono_Isotopic_Weight	255.12190603
85847719	TPSA	42.5
18100	Rotatable_Bond_Count	1
12260	TPSA	0
124605148	Defined_Atom_Stereo_Count	14
12995	Undefined_Atom_Stereo_Count	0
249778	Rotatable_Bond_Count	0
19028568	Isotope_Atom_Count	0
39650	Isotope_Atom_Count	0
57164040	TPSA	210
12336279	Defined_Atom_Stereo_Count	0
25162926	Covalent_Unit_Count	2
68624	Defined_Bond_Stereo_Count	0
107879	Defined_Atom_Stereo_Count	0
1548943	Total_Formal_Charge	0
439195	Structure_Complexity	117
15826366	Defined_Atom_Stereo_Count	0
44590515	Undefined_Bond_Stereo_Count	0
104755	Covalent_Unit_Count	1
139444	Undefined_Atom_Stereo_Count	4
75777	Hydrogen_Bond_Donor_Count	0
10419	Rotatable_Bond_Count	0
56841556	Structure_Complexity	1890
24721356	Structure_Complexity	2960
74572	XLogP3	3.2
3005839	Defined_Atom_Stereo_Count	1
7875	Total_Formal_Charge	0
23663958	Rotatable_Bond_Count	4
213040	Non-hydrogen_Atom_Count	36
40467346	Structure_Complexity	830
605877	Non-hydrogen_Atom_Count	19
22123753	Undefined_Atom_Stereo_Count	1
22297	Defined_Bond_Stereo_Count	0
87689	Hydrogen_Bond_Donor_Count	0
224001	Isotope_Atom_Count	0
580	Rotatable_Bond_Count	7
77843966	Tautomer_Count	308
16551	Exact_Mass	154.0316058
5311333	Non-hydrogen_Atom_Count	79
11262	Defined_Bond_Stereo_Count	0
85838693	Total_Formal_Charge	0
61349	Undefined_Bond_Stereo_Count	0
3326923	Molecular_Weight	205.27
3483736	Total_Formal_Charge	1
104735	Covalent_Unit_Count	1
21966525	TPSA	38.7
14281432	Rotatable_Bond_Count	1
411817	Covalent_Unit_Count	1
16063805	Rotatable_Bond_Count	7
57856017	Mono_Isotopic_Weight	111.068413911
66083	Covalent_Unit_Count	1
146157455	Rotatable_Bond_Count	3
10793	Defined_Bond_Stereo_Count	0
812042	Rotatable_Bond_Count	5
46783063	Exact_Mass	364.1376123
73093	Rotatable_Bond_Count	9
11815279	Isotope_Atom_Count	0
20517187	Defined_Bond_Stereo_Count	0
686	Mono_Isotopic_Weight	548.08084212
517063	Isotope_Atom_Count	0
22138513	Mono_Isotopic_Weight	102.068079557
554363	Hydrogen_Bond_Acceptor_Count	3
135016365	Covalent_Unit_Count	1
7207	Isotope_Atom_Count	0
15065	Undefined_Bond_Stereo_Count	0
44295739	Hydrogen_Bond_Acceptor_Count	8
87458296	Hydrogen_Bond_Donor_Count	0
28425	Molecular_Weight	249.3
62411	Exact_Mass	174.08920892
11519741	Rotatable_Bond_Count	10
4845	Total_Formal_Charge	0
6288	Defined_Atom_Stereo_Count	2
6931310	Molecular_Weight	268.33
3009010	XLogP3-AA	3.6
689784	Hydrogen_Bond_Acceptor_Count	7
130128865	Defined_Bond_Stereo_Count	0
4471892	Hydrogen_Bond_Donor_Count	2
97127	Structure_Complexity	290
142765305	Mono_Isotopic_Weight	109.052763847
9462	Structure_Complexity	167
57397762	Hydrogen_Bond_Acceptor_Count	5
23668195	Non-hydrogen_Atom_Count	5
82418959	Hydrogen_Bond_Acceptor_Count	3
7093	Structure_Complexity	110
59295925	Covalent_Unit_Count	1
66727	Tautomer_Count	1
301567	Hydrogen_Bond_Acceptor_Count	1
112711235	Mono_Isotopic_Weight	113.058911855
44562492	TPSA	67
9601349	Rotatable_Bond_Count	3
94330	Tautomer_Count	10
11574	Total_Formal_Charge	0
10173277	Total_Formal_Charge	0
452498	Total_Formal_Charge	0
403647	Structure_Complexity	328
71651624	Total_Formal_Charge	0
53322367	TPSA	57
6763	Undefined_Bond_Stereo_Count	0
115739	Non-hydrogen_Atom_Count	14
6324671	Undefined_Bond_Stereo_Count	0
22238266	Undefined_Atom_Stereo_Count	0
6908	TPSA	0
25142175	Covalent_Unit_Count	1
102102069	Defined_Atom_Stereo_Count	0
40523471	Defined_Bond_Stereo_Count	0
2752649	Undefined_Atom_Stereo_Count	0
139194519	Non-hydrogen_Atom_Count	32
116706	Rotatable_Bond_Count	11
5361919	Total_Formal_Charge	0
10176082	Non-hydrogen_Atom_Count	4
49	Hydrogen_Bond_Acceptor_Count	3
31738	Non-hydrogen_Atom_Count	13
3024	Hydrogen_Bond_Donor_Count	0
134860471	Mono_Isotopic_Weight	180.06338810
150310	XLogP3	1.4
81011	Hydrogen_Bond_Donor_Count	4
8030	Hydrogen_Bond_Donor_Count	0
28566812	Defined_Atom_Stereo_Count	0
23581832	Total_Formal_Charge	1
53464	Undefined_Atom_Stereo_Count	0
6169	Defined_Atom_Stereo_Count	5
22096	Defined_Atom_Stereo_Count	0
70634430	Hydrogen_Bond_Acceptor_Count	2
136874	Structure_Complexity	68.5
11477442	Total_Formal_Charge	0
550668	Rotatable_Bond_Count	4
11297955	TPSA	35.5
19027815	Hydrogen_Bond_Acceptor_Count	0
19371857	Isotope_Atom_Count	0
465069	Rotatable_Bond_Count	8
35784	Defined_Atom_Stereo_Count	0
12374	TPSA	40.5
15480	Total_Formal_Charge	0
700865	XLogP3-AA	3.3
13194811	Hydrogen_Bond_Donor_Count	0
16049088	Defined_Bond_Stereo_Count	0
68740500	Isotope_Atom_Count	0
20003	Defined_Atom_Stereo_Count	0
18522	Defined_Bond_Stereo_Count	0
11461044	Structure_Complexity	178
121733	Exact_Mass	181.110278721
9899402	TPSA	24.5
30107	Covalent_Unit_Count	1
64185	Non-hydrogen_Atom_Count	17
3653	Undefined_Bond_Stereo_Count	0
20495	Defined_Bond_Stereo_Count	0
17750123	Covalent_Unit_Count	1
5894	Total_Formal_Charge	0
52165	Total_Formal_Charge	0
123664524	Covalent_Unit_Count	1
489236	Undefined_Atom_Stereo_Count	1
17714	Non-hydrogen_Atom_Count	21
136649	Structure_Complexity	113
90227	Undefined_Bond_Stereo_Count	0
45357	Structure_Complexity	201
10457387	Structure_Complexity	462
53720955	Exact_Mass	109.052763847
7531	Hydrogen_Bond_Acceptor_Count	1
5329102	Non-hydrogen_Atom_Count	29
242973	TPSA	57.4
5283736	Hydrogen_Bond_Donor_Count	3
26249	Defined_Bond_Stereo_Count	0
6079	Undefined_Bond_Stereo_Count	0
87424384	Defined_Bond_Stereo_Count	0
49289	Non-hydrogen_Atom_Count	13
10964334	Defined_Atom_Stereo_Count	30
112680	Isotope_Atom_Count	0
46227489	Hydrogen_Bond_Donor_Count	2
163659459	Isotope_Atom_Count	0
52427	Hydrogen_Bond_Donor_Count	0
1479277	Undefined_Bond_Stereo_Count	0
27744	Molecular_Weight	451.9
47328	Defined_Bond_Stereo_Count	0
10553	Isotope_Atom_Count	0
15093812	Covalent_Unit_Count	1
138231	Non-hydrogen_Atom_Count	6
11858154	XLogP3-AA	3.4
76971015	Isotope_Atom_Count	0
21322859	TPSA	20.3
18541897	Isotope_Atom_Count	0
3442	Rotatable_Bond_Count	4
13676	Undefined_Atom_Stereo_Count	1
3277600	Tautomer_Count	12
293676	Defined_Atom_Stereo_Count	0
20549002	Undefined_Bond_Stereo_Count	0
91427979	TPSA	0
43424	Exact_Mass	409.1894101
140999	Isotope_Atom_Count	0
123165994	Defined_Atom_Stereo_Count	0
194383	Isotope_Atom_Count	0
60155274	Defined_Atom_Stereo_Count	1
4724	Non-hydrogen_Atom_Count	21
142383	Rotatable_Bond_Count	1
24041599	Defined_Bond_Stereo_Count	0
9967055	Defined_Atom_Stereo_Count	4
3849	XLogP3-AA	5.9
72495	XLogP3-AA	4.3
57888	Mono_Isotopic_Weight	356.20999276
56890	Rotatable_Bond_Count	4
26310	Hydrogen_Bond_Donor_Count	0
22041940	Covalent_Unit_Count	1
16111	Exact_Mass	281.09292838
74413	Undefined_Atom_Stereo_Count	0
11235729	TPSA	90.4
20111	XLogP3	2
705715	Defined_Bond_Stereo_Count	0
50897	Undefined_Bond_Stereo_Count	0
10953450	Defined_Bond_Stereo_Count	0
1079	Rotatable_Bond_Count	7
5281706	Non-hydrogen_Atom_Count	22
73303	Covalent_Unit_Count	1
134812042	Total_Formal_Charge	0
3400	Isotope_Atom_Count	0
25563	Defined_Atom_Stereo_Count	0
21067	TPSA	44.4
220861	Defined_Bond_Stereo_Count	0
715513	XLogP3-AA	4.4
16213080	Molecular_Weight	500.12
130028471	Non-hydrogen_Atom_Count	8
136246379	Hydrogen_Bond_Donor_Count	3
534959	Mono_Isotopic_Weight	98.073164938
447202	Non-hydrogen_Atom_Count	55
5057599	XLogP3-AA	4.5
1795	Undefined_Atom_Stereo_Count	0
323004	Undefined_Bond_Stereo_Count	0
12720844	Structure_Complexity	112
16049024	Non-hydrogen_Atom_Count	34
3034424	TPSA	26.3
516356	Undefined_Atom_Stereo_Count	0
86101	XLogP3	2.1
5497171	Hydrogen_Bond_Donor_Count	4
141315890	Structure_Complexity	72.1
44578693	Defined_Atom_Stereo_Count	1
13810	Non-hydrogen_Atom_Count	38
4180	Molecular_Weight	293.3
107807	Undefined_Bond_Stereo_Count	0
117633116	Exact_Mass	180.06338810
27503	Non-hydrogen_Atom_Count	36
14454	Hydrogen_Bond_Acceptor_Count	1
135444614	XLogP3-AA	4.3
9795	Isotope_Atom_Count	0
117295	Molecular_Weight	128.22
41206	Non-hydrogen_Atom_Count	18
10975415	Structure_Complexity	88.1
16051921	Non-hydrogen_Atom_Count	26
13032471	Hydrogen_Bond_Donor_Count	0
5324278	Defined_Atom_Stereo_Count	0
15689	Undefined_Bond_Stereo_Count	0
6332110	Defined_Atom_Stereo_Count	0
7929	Molecular_Weight	106.16
91820142	Hydrogen_Bond_Acceptor_Count	13
69908	Total_Formal_Charge	0
71587897	Non-hydrogen_Atom_Count	37
33929	Structure_Complexity	244
8246	Total_Formal_Charge	0
3084014	Covalent_Unit_Count	2
1088	Molecular_Weight	89.09
449101	Exact_Mass	149.06880783
4217966	Covalent_Unit_Count	1
16562	Structure_Complexity	253
20633892	Non-hydrogen_Atom_Count	8
20691	Exact_Mass	284.282763776
37713	Rotatable_Bond_Count	0
9870009	Mono_Isotopic_Weight	485.1928781
694395	Structure_Complexity	440
25094462	Covalent_Unit_Count	1
136445	Exact_Mass	102.104465066
520847	Covalent_Unit_Count	1
123702	Exact_Mass	288.21748344
14654469	Mono_Isotopic_Weight	105.078978594
3036	Exact_Mass	353.911739
32912	Mono_Isotopic_Weight	256.240230259
4372	Undefined_Bond_Stereo_Count	2
62277	Hydrogen_Bond_Acceptor_Count	7
24825268	Undefined_Bond_Stereo_Count	0
4928	Mono_Isotopic_Weight	225.15896025
31101	TPSA	118
14044	Mono_Isotopic_Weight	115.063328530
3878	Mono_Isotopic_Weight	255.0078506
6913	Isotope_Atom_Count	0
221145	Total_Formal_Charge	0
13587089	Defined_Bond_Stereo_Count	0
13027933	Undefined_Bond_Stereo_Count	0
216324	Mono_Isotopic_Weight	371.00508323
101992406	Molecular_Weight	111.07
47491	Total_Formal_Charge	0
23284	Undefined_Atom_Stereo_Count	1
11006	Defined_Bond_Stereo_Count	0
50491	Undefined_Atom_Stereo_Count	2
17407	Hydrogen_Bond_Acceptor_Count	3
14985552	Exact_Mass	107.073499291
153380590	XLogP3-AA	1.1
3480138	Non-hydrogen_Atom_Count	36
71415	Tautomer_Count	3
135421876	Hydrogen_Bond_Donor_Count	2
5284443	Hydrogen_Bond_Donor_Count	4
122081	Defined_Atom_Stereo_Count	0
53987564	Hydrogen_Bond_Donor_Count	2
11769408	Exact_Mass	195.125928785
11338127	Defined_Bond_Stereo_Count	0
68016	Tautomer_Count	1
69095	Hydrogen_Bond_Acceptor_Count	6
57280	Defined_Atom_Stereo_Count	0
98040	Structure_Complexity	52
4684505	Mono_Isotopic_Weight	338.08668395
82322	Structure_Complexity	80.5
3833333	Undefined_Atom_Stereo_Count	1
5152771	Exact_Mass	113.084063974
16	Isotope_Atom_Count	0
8168	Rotatable_Bond_Count	11
18597	Defined_Atom_Stereo_Count	0
29778	Rotatable_Bond_Count	4
53384934	Hydrogen_Bond_Donor_Count	7
25151504	Isotope_Atom_Count	0
12658877	Structure_Complexity	39.1
58863	Defined_Bond_Stereo_Count	0
12836760	Hydrogen_Bond_Acceptor_Count	3
130122663	Structure_Complexity	163
9961434	Rotatable_Bond_Count	27
15620607	Isotope_Atom_Count	0
3717	Undefined_Bond_Stereo_Count	0
5489638	Undefined_Atom_Stereo_Count	0
130515614	Molecular_Weight	110.15
36020	Covalent_Unit_Count	1
23643935	Hydrogen_Bond_Donor_Count	4
145562	Non-hydrogen_Atom_Count	4
2724537	Defined_Bond_Stereo_Count	0
24751	TPSA	25.1
6323336	Undefined_Atom_Stereo_Count	0
33721	Hydrogen_Bond_Donor_Count	1
96457	Hydrogen_Bond_Acceptor_Count	3
94215	Structure_Complexity	46.9
115208	Tautomer_Count	2
72506564	Isotope_Atom_Count	0
70676631	Covalent_Unit_Count	3
123535886	Rotatable_Bond_Count	0
79619	Mono_Isotopic_Weight	157.052763847
11180	Defined_Atom_Stereo_Count	0
10900	Defined_Bond_Stereo_Count	0
157568	Hydrogen_Bond_Acceptor_Count	2
89999	Hydrogen_Bond_Donor_Count	5
129761	Defined_Atom_Stereo_Count	0
12425308	Exact_Mass	116.047344113
9835303	Undefined_Atom_Stereo_Count	0
100984821	Hydrogen_Bond_Donor_Count	5
20849107	XLogP3	3.4
12240	Non-hydrogen_Atom_Count	8
3061720	Molecular_Weight	276.76
11662332	Rotatable_Bond_Count	8
11587639	Total_Formal_Charge	0
656440	Structure_Complexity	579
5742631	Hydrogen_Bond_Acceptor_Count	6
4823	Mono_Isotopic_Weight	334.14297583
6947362	Mono_Isotopic_Weight	322.168127949
22737404	Undefined_Bond_Stereo_Count	0
446925	Isotope_Atom_Count	0
6440180	Covalent_Unit_Count	1
4040	Hydrogen_Bond_Donor_Count	2
5433	Undefined_Atom_Stereo_Count	2
135419182	Covalent_Unit_Count	1
10785752	Mono_Isotopic_Weight	376.15354051
20821286	Hydrogen_Bond_Donor_Count	0
82190	Tautomer_Count	1
4720	Non-hydrogen_Atom_Count	46
3117	Defined_Atom_Stereo_Count	0
62817	Isotope_Atom_Count	0
13817	Defined_Atom_Stereo_Count	0
13379958	Covalent_Unit_Count	1
70688017	Defined_Bond_Stereo_Count	0
31352	Structure_Complexity	153
86132	Mono_Isotopic_Weight	291.1138399
792027	Tautomer_Count	1
57992081	Rotatable_Bond_Count	5
22833489	Mono_Isotopic_Weight	345.938317
42609805	Undefined_Atom_Stereo_Count	0
91855653	Rotatable_Bond_Count	4
59665407	Undefined_Bond_Stereo_Count	0
184	Covalent_Unit_Count	1
443942	Isotope_Atom_Count	0
16737690	Exact_Mass	646.18213833
4093	Exact_Mass	86.036779430
24848321	Non-hydrogen_Atom_Count	21
71342	Tautomer_Count	5
81827	Non-hydrogen_Atom_Count	8
11859	Isotope_Atom_Count	0
296659	Undefined_Atom_Stereo_Count	1
44578537	Molecular_Weight	336.4
70452	Mono_Isotopic_Weight	87.104799419
7020094	Rotatable_Bond_Count	7
2734931	Defined_Atom_Stereo_Count	0
55317	Undefined_Bond_Stereo_Count	0
11408688	Defined_Bond_Stereo_Count	0
12704941	Exact_Mass	102.115698455
5288679	Isotope_Atom_Count	0
58823276	Exact_Mass	360.137496527
87020	XLogP3	1.3
54023308	Undefined_Atom_Stereo_Count	0
11434920	Total_Formal_Charge	0
20690188	Undefined_Bond_Stereo_Count	0
24840945	Exact_Mass	127.099714038
13625887	Hydrogen_Bond_Donor_Count	0
57401369	Isotope_Atom_Count	0
3533	Undefined_Bond_Stereo_Count	0
165337	TPSA	40.1
9834591	TPSA	143
5352833	Covalent_Unit_Count	1
159563	Hydrogen_Bond_Donor_Count	2
12614	Defined_Atom_Stereo_Count	0
16732167	Rotatable_Bond_Count	2
14647552	Exact_Mass	133.146664230
53484290	Defined_Bond_Stereo_Count	0
54718618	Exact_Mass	460.07454252
112039	Tautomer_Count	5
441276	Defined_Atom_Stereo_Count	10
4366	Defined_Bond_Stereo_Count	0
11261	Undefined_Bond_Stereo_Count	0
135013065	Molecular_Weight	115.17
68547	Isotope_Atom_Count	0
67810472	Covalent_Unit_Count	1
6857732	Defined_Atom_Stereo_Count	8
234485	Isotope_Atom_Count	0
16219	Isotope_Atom_Count	0
14274724	Molecular_Weight	352.6
129652979	Exact_Mass	98.036779430
45934310	Hydrogen_Bond_Donor_Count	5
16212960	Exact_Mass	182.07009777
72950888	Hydrogen_Bond_Acceptor_Count	10
167945	Exact_Mass	218.10284761
54203587	Hydrogen_Bond_Donor_Count	0
138440	XLogP3-AA	0.8
24041599	Structure_Complexity	642
11648276	XLogP3-AA	5.3
129320263	Exact_Mass	337.05798562
11675388	Total_Formal_Charge	0
76497	Defined_Bond_Stereo_Count	0
2703	Tautomer_Count	1
3032915	Exact_Mass	212.10956770
9934458	Hydrogen_Bond_Donor_Count	1
4594378	Rotatable_Bond_Count	4
9085	Hydrogen_Bond_Donor_Count	4
16821	Mono_Isotopic_Weight	198.161979940
2893	Molecular_Weight	276.4
67367781	Molecular_Weight	442.5
20323899	Total_Formal_Charge	0
7005019	Covalent_Unit_Count	1
258030	Molecular_Weight	127.57
23695542	Structure_Complexity	302
151062	Tautomer_Count	1
72950888	Hydrogen_Bond_Donor_Count	1
10648	Non-hydrogen_Atom_Count	16
77262	Defined_Bond_Stereo_Count	0
17861	Undefined_Atom_Stereo_Count	0
52949543	Molecular_Weight	439.4
7540	Rotatable_Bond_Count	6
13204	Exact_Mass	114.068079557
88269064	Exact_Mass	113.047678466
5353584	Undefined_Atom_Stereo_Count	7
138335	Non-hydrogen_Atom_Count	8
7075	Defined_Atom_Stereo_Count	0
19607	Rotatable_Bond_Count	8
15148131	Molecular_Weight	272.73
6637	Defined_Bond_Stereo_Count	0
12487265	Isotope_Atom_Count	0
24758982	Undefined_Bond_Stereo_Count	0
6604334	Mono_Isotopic_Weight	842.51400504
20054849	Defined_Bond_Stereo_Count	2
53621	Undefined_Atom_Stereo_Count	1
4896	TPSA	141
7274	Undefined_Atom_Stereo_Count	0
71517699	Exact_Mass	491.0917843
66335	Covalent_Unit_Count	1
129652979	Defined_Atom_Stereo_Count	0
134664	Non-hydrogen_Atom_Count	11
106428	Exact_Mass	220.1342410
44284481	Hydrogen_Bond_Donor_Count	32
208924	Defined_Bond_Stereo_Count	0
524646	Defined_Bond_Stereo_Count	0
135406870	Hydrogen_Bond_Acceptor_Count	3
11126224	Isotope_Atom_Count	0
8168	Non-hydrogen_Atom_Count	15
6017	Total_Formal_Charge	0
143466591	Molecular_Weight	101.15
70040	Covalent_Unit_Count	1
102	Defined_Bond_Stereo_Count	0
3720	Molecular_Weight	810.7
138496	TPSA	50.8
25002426	Molecular_Weight	433.4
140203	Molecular_Weight	274.44
8972	Non-hydrogen_Atom_Count	27
60196412	TPSA	146
4510	Molecular_Weight	227.09
71309905	Defined_Atom_Stereo_Count	4
13245	Total_Formal_Charge	0
113415	XLogP3-AA	9
143506727	Hydrogen_Bond_Acceptor_Count	0
101625661	Total_Formal_Charge	0
14803	Molecular_Weight	77.978
55840	Defined_Atom_Stereo_Count	0
44308032	Covalent_Unit_Count	1
91740	Defined_Atom_Stereo_Count	0
5458993	Exact_Mass	332.12598835
10800	Molecular_Weight	198.13
88391334	XLogP3-AA	1
505	Hydrogen_Bond_Acceptor_Count	11
14794987	Rotatable_Bond_Count	1
8809	Defined_Bond_Stereo_Count	0
66062	Hydrogen_Bond_Acceptor_Count	4
91667591	Mono_Isotopic_Weight	977.2875094
13473	Non-hydrogen_Atom_Count	22
58513815	Structure_Complexity	70.1
125520	Molecular_Weight	168.19
49107	Molecular_Weight	372.3
23418	TPSA	96.3
20517187	Isotope_Atom_Count	0
123641140	Defined_Atom_Stereo_Count	0
5460024	Undefined_Bond_Stereo_Count	0
3827	Molecular_Weight	309.4
11150163	Mono_Isotopic_Weight	279.14705815
58265190	Exact_Mass	180.06338810
25273227	XLogP3-AA	2.7
23349	Undefined_Bond_Stereo_Count	0
92268	Covalent_Unit_Count	1
118984396	Covalent_Unit_Count	2
6436140	Mono_Isotopic_Weight	516.04095583
106429	Defined_Bond_Stereo_Count	0
60974	Undefined_Bond_Stereo_Count	1
3239235	Hydrogen_Bond_Donor_Count	2
67278	Structure_Complexity	187
413538	Total_Formal_Charge	0
86305	Hydrogen_Bond_Donor_Count	0
12746	Rotatable_Bond_Count	0
23456	Molecular_Weight	246.30
14201285	TPSA	35.5
93176	Non-hydrogen_Atom_Count	8
454105	Molecular_Weight	493.6
14535399	Defined_Atom_Stereo_Count	0
145003683	Non-hydrogen_Atom_Count	8
11807	Non-hydrogen_Atom_Count	6
5274271	Isotope_Atom_Count	0
15437	Mono_Isotopic_Weight	206.07251349
5342	XLogP3	2.3
31621	Non-hydrogen_Atom_Count	22
21619272	Defined_Atom_Stereo_Count	0
92174	XLogP3-AA	1.6
90771306	Undefined_Bond_Stereo_Count	0
5234	Hydrogen_Bond_Donor_Count	0
6539005	Structure_Complexity	458
9884642	Defined_Bond_Stereo_Count	0
4669250	Tautomer_Count	5
12622120	Mono_Isotopic_Weight	218.05790880
625295	Undefined_Bond_Stereo_Count	0
468076	Undefined_Bond_Stereo_Count	0
54608508	Total_Formal_Charge	0
68678	Rotatable_Bond_Count	3
16719	Non-hydrogen_Atom_Count	12
50895	Mono_Isotopic_Weight	361.0328700
20849107	Rotatable_Bond_Count	11
25058197	Hydrogen_Bond_Donor_Count	1
33341	Isotope_Atom_Count	0
6257	Molecular_Weight	223.22
4807	Total_Formal_Charge	0
101743775	Hydrogen_Bond_Acceptor_Count	7
22842095	Isotope_Atom_Count	0
98633	Hydrogen_Bond_Acceptor_Count	2
573553	Hydrogen_Bond_Donor_Count	2
154701779	Molecular_Weight	365.4
1242943	Exact_Mass	317.12766012
443073	Molecular_Weight	119.12
67284	Hydrogen_Bond_Donor_Count	0
5281764	Undefined_Bond_Stereo_Count	0
58099153	Non-hydrogen_Atom_Count	8
15816	Molecular_Weight	216.27
7819	Undefined_Atom_Stereo_Count	0
220338	TPSA	37.3
82513	Hydrogen_Bond_Acceptor_Count	2
12271341	Defined_Atom_Stereo_Count	0
21642823	Undefined_Atom_Stereo_Count	0
3020188	Tautomer_Count	3
23661014	Molecular_Weight	434.9
71743843	Undefined_Atom_Stereo_Count	0
134129158	Covalent_Unit_Count	1
12394645	Rotatable_Bond_Count	0
3038501	Hydrogen_Bond_Acceptor_Count	6
23672064	Undefined_Bond_Stereo_Count	0
870718	XLogP3-AA	1.4
11545464	Undefined_Atom_Stereo_Count	0
139075087	Undefined_Atom_Stereo_Count	0
57384039	Isotope_Atom_Count	0
443404	Rotatable_Bond_Count	0
119097331	Non-hydrogen_Atom_Count	7
9483	Defined_Atom_Stereo_Count	0
47932	Total_Formal_Charge	0
443003	Non-hydrogen_Atom_Count	13
6442	Defined_Atom_Stereo_Count	0
3570	XLogP3-AA	3.9
102213	Rotatable_Bond_Count	3
46926350	TPSA	91.2
94280	Defined_Bond_Stereo_Count	0
34319	Defined_Atom_Stereo_Count	0
129864969	Molecular_Weight	388.4
9837124	TPSA	132
58935140	Structure_Complexity	79.6
3444	Hydrogen_Bond_Donor_Count	0
36159	Covalent_Unit_Count	1
26660	Hydrogen_Bond_Acceptor_Count	1
20371324	Mono_Isotopic_Weight	116.058577502
61634	Defined_Atom_Stereo_Count	0
91723653	Hydrogen_Bond_Acceptor_Count	0
58180	Tautomer_Count	1
44225660	XLogP3-AA	7.5
54582799	Defined_Bond_Stereo_Count	0
21037713	Isotope_Atom_Count	0
542882	Structure_Complexity	194
11181836	Hydrogen_Bond_Donor_Count	0
16052011	Non-hydrogen_Atom_Count	95
157688	Hydrogen_Bond_Acceptor_Count	13
49862689	Total_Formal_Charge	0
599	Defined_Bond_Stereo_Count	0
11527	Hydrogen_Bond_Donor_Count	1
19385892	Exact_Mass	88.100048391
1246	Hydrogen_Bond_Donor_Count	1
93577	Undefined_Bond_Stereo_Count	0
3047803	Isotope_Atom_Count	0
48640	Covalent_Unit_Count	3
12255652	Mono_Isotopic_Weight	328.26135963
22078	Hydrogen_Bond_Acceptor_Count	2
6951315	Hydrogen_Bond_Donor_Count	0
10358218	Rotatable_Bond_Count	6
11226684	Total_Formal_Charge	0
53782318	TPSA	17.1
13464587	Molecular_Weight	107.11
71691	Exact_Mass	408.384154838
7016	Structure_Complexity	180
46205408	Hydrogen_Bond_Acceptor_Count	8
201538	Tautomer_Count	1
11839	Exact_Mass	343.78700
33653	Mono_Isotopic_Weight	278.1073575
12420323	Undefined_Bond_Stereo_Count	0
2170	Rotatable_Bond_Count	1
71449859	Mono_Isotopic_Weight	600.2018590
66435	Non-hydrogen_Atom_Count	24
129628281	Isotope_Atom_Count	0
7269	Structure_Complexity	80.6
53276	Rotatable_Bond_Count	6
44577705	Total_Formal_Charge	0
44125988	Molecular_Weight	366.5
13558	Molecular_Weight	128.25
124510	TPSA	55.5
83756	Hydrogen_Bond_Acceptor_Count	4
535	Undefined_Atom_Stereo_Count	0
56949966	Total_Formal_Charge	0
11137142	Isotope_Atom_Count	0
10290	Tautomer_Count	9
16699	Mono_Isotopic_Weight	157.110278721
124201874	Undefined_Atom_Stereo_Count	1
59020	Total_Formal_Charge	0
9860424	Exact_Mass	277.10759338
6326947	Undefined_Bond_Stereo_Count	0
274	Hydrogen_Bond_Acceptor_Count	10
23278715	Structure_Complexity	872
2313	Non-hydrogen_Atom_Count	21
17841655	Defined_Bond_Stereo_Count	0
22628430	Molecular_Weight	97.12
115205	Rotatable_Bond_Count	13
134976	Molecular_Weight	222.24
145900	XLogP3	2.2
5461982	Exact_Mass	200.9708
95400	Covalent_Unit_Count	1
10314049	Rotatable_Bond_Count	3
99816	Total_Formal_Charge	0
53932862	TPSA	17.1
91463	TPSA	40.5
5283344	Defined_Bond_Stereo_Count	1
441141	Covalent_Unit_Count	1
544627	Defined_Atom_Stereo_Count	0
135430795	Total_Formal_Charge	0
8396	Structure_Complexity	149
21399335	Hydrogen_Bond_Donor_Count	1
6850729	TPSA	1
2136	Structure_Complexity	336
21864369	Exact_Mass	1483.406877
103439991	XLogP3-AA	0.2
64510	Total_Formal_Charge	0
17806	XLogP3-AA	3.5
134694302	Exact_Mass	478.842666
7058	Defined_Atom_Stereo_Count	0
59445439	Exact_Mass	180.06338810
6145	Total_Formal_Charge	0
53997645	Rotatable_Bond_Count	2
54289557	Isotope_Atom_Count	0
10887866	Defined_Atom_Stereo_Count	0
40826	Covalent_Unit_Count	1
439255	Covalent_Unit_Count	1
138975	Non-hydrogen_Atom_Count	14
56672297	Structure_Complexity	690
66509091	Hydrogen_Bond_Donor_Count	5
22833295	Undefined_Atom_Stereo_Count	0
51063134	TPSA	102
9853583	Mono_Isotopic_Weight	756.35567118
6915944	Hydrogen_Bond_Donor_Count	4
54556023	Mono_Isotopic_Weight	113.084063974
177168	Total_Formal_Charge	0
15595455	Isotope_Atom_Count	0
6267	Hydrogen_Bond_Acceptor_Count	4
18410493	Structure_Complexity	111
10113	Covalent_Unit_Count	1
71452602	Isotope_Atom_Count	0
90472762	Hydrogen_Bond_Donor_Count	5
243517	Total_Formal_Charge	0
124846	Tautomer_Count	6
139105	Hydrogen_Bond_Donor_Count	0
9546757	Defined_Atom_Stereo_Count	1
191519	Covalent_Unit_Count	1
70425	TPSA	44.8
97536	Isotope_Atom_Count	0
6235	Covalent_Unit_Count	1
73706	Non-hydrogen_Atom_Count	13
101210282	Mono_Isotopic_Weight	90.0469501914
66087	Mono_Isotopic_Weight	108.99862027
99025	XLogP3-AA	2.9
18999022	Exact_Mass	99.104799419
5280373	Total_Formal_Charge	0
643208	Defined_Bond_Stereo_Count	0
12817963	Rotatable_Bond_Count	0
68973	Exact_Mass	48.012887157
91716	Exact_Mass	298.07759887
73481	Structure_Complexity	963
44626421	Non-hydrogen_Atom_Count	49
3848	Rotatable_Bond_Count	3
64646	Covalent_Unit_Count	5
139670117	Undefined_Bond_Stereo_Count	0
4540	Undefined_Bond_Stereo_Count	0
10173277	Exact_Mass	418.21172409
5464265	Tautomer_Count	1
56634286	Exact_Mass	113.095297364
123347622	Covalent_Unit_Count	1
21917690	Isotope_Atom_Count	0
260127	Isotope_Atom_Count	0
11895	Molecular_Weight	170.59
68718	Undefined_Atom_Stereo_Count	0
4928	Undefined_Atom_Stereo_Count	0
6444826	Structure_Complexity	516
25006688	Defined_Bond_Stereo_Count	0
18617	Rotatable_Bond_Count	0
57396085	Molecular_Weight	414.5
573467	Covalent_Unit_Count	1
19526	Structure_Complexity	70.1
91041862	XLogP3-AA	3.4
2734687	Structure_Complexity	41.6
19543	Covalent_Unit_Count	1
17745	Isotope_Atom_Count	0
187888	Isotope_Atom_Count	0
9899402	Undefined_Atom_Stereo_Count	0
5460544	Mono_Isotopic_Weight	145.03750770
19083156	Isotope_Atom_Count	0
230920	XLogP3	2.7
67317342	Total_Formal_Charge	0
146571	Rotatable_Bond_Count	6
5329	Isotope_Atom_Count	0
42808	Tautomer_Count	1
9300	Molecular_Weight	291.71
9804219	Structure_Complexity	672
69332601	Undefined_Bond_Stereo_Count	0
3531736	Hydrogen_Bond_Acceptor_Count	4
535188	Isotope_Atom_Count	0
7225	Molecular_Weight	133.15
16414	Defined_Atom_Stereo_Count	0
443310	Covalent_Unit_Count	1
530132	Molecular_Weight	217.34
7659	Mono_Isotopic_Weight	252.115029749
5372194	Covalent_Unit_Count	1
1582	Molecular_Weight	553.28
56606917	XLogP3-AA	1.9
66683198	Molecular_Weight	341.8
5491989	Hydrogen_Bond_Donor_Count	2
31247	Structure_Complexity	86.5
62542	Undefined_Atom_Stereo_Count	0
59646264	Structure_Complexity	382
69965423	Covalent_Unit_Count	1
94910	Exact_Mass	226.0760574
11601669	Total_Formal_Charge	0
7041	Undefined_Bond_Stereo_Count	0
1077757	XLogP3-AA	3.6
36750	Mono_Isotopic_Weight	341.19909372
16217	Defined_Atom_Stereo_Count	0
160051	Rotatable_Bond_Count	22
577022	Total_Formal_Charge	0
8411	Exact_Mass	244.121177757
1615208	Defined_Bond_Stereo_Count	0
5281035	Undefined_Bond_Stereo_Count	0
69512	Defined_Atom_Stereo_Count	0
9969613	TPSA	80.5
66320	Exact_Mass	109.98373652
93131	Undefined_Atom_Stereo_Count	0
769	Hydrogen_Bond_Acceptor_Count	3
6955724	Structure_Complexity	402
5289382	Defined_Atom_Stereo_Count	8
135409452	Hydrogen_Bond_Acceptor_Count	3
192435	Defined_Atom_Stereo_Count	10
57397462	Exact_Mass	388.0648413
44457968	Defined_Bond_Stereo_Count	0
76963786	Molecular_Weight	297.39
9884439	Total_Formal_Charge	0
57441994	Defined_Bond_Stereo_Count	0
130845868	Covalent_Unit_Count	1
121733	Rotatable_Bond_Count	3
54725318	Undefined_Bond_Stereo_Count	0
100427	Total_Formal_Charge	0
2911	Undefined_Atom_Stereo_Count	1
11358	Mono_Isotopic_Weight	185.96803
71434160	Undefined_Atom_Stereo_Count	5
5742590	XLogP3-AA	7.7
12040508	Exact_Mass	405.02516722
56846509	Non-hydrogen_Atom_Count	14
54167752	Covalent_Unit_Count	1
14765771	Undefined_Atom_Stereo_Count	0
23675743	Undefined_Atom_Stereo_Count	0
3943	Covalent_Unit_Count	1
124222418	Covalent_Unit_Count	1
61431	Hydrogen_Bond_Donor_Count	0
1149	Covalent_Unit_Count	1
556684	Total_Formal_Charge	0
249786	Defined_Atom_Stereo_Count	0
441346	Molecular_Weight	420.5
21455617	Non-hydrogen_Atom_Count	7
11281300	Undefined_Bond_Stereo_Count	0
155008	Tautomer_Count	809
129009962	Non-hydrogen_Atom_Count	115
25114553	Mono_Isotopic_Weight	492.25973691
91618345	Undefined_Bond_Stereo_Count	0
83669186	Defined_Bond_Stereo_Count	0
24532	Undefined_Bond_Stereo_Count	0
7618	Molecular_Weight	149.19
9806190	Molecular_Weight	505.6
14643618	Structure_Complexity	91.1
587322	Exact_Mass	419.972292
7607	XLogP3	4.2
12921732	Mono_Isotopic_Weight	82.041864811
14656672	TPSA	70
10215932	Hydrogen_Bond_Acceptor_Count	7
3033821	Defined_Atom_Stereo_Count	0
155971023	Undefined_Bond_Stereo_Count	0
11750	TPSA	45.8
134688930	Hydrogen_Bond_Donor_Count	1
60196378	Undefined_Bond_Stereo_Count	0
5280492	Hydrogen_Bond_Donor_Count	3
447661	Covalent_Unit_Count	1
70916	Rotatable_Bond_Count	8
72775170	Rotatable_Bond_Count	1
44449087	Total_Formal_Charge	0
102483	Tautomer_Count	1
23077956	TPSA	68.2
21490223	Hydrogen_Bond_Donor_Count	1
11355437	Isotope_Atom_Count	0
156580481	Hydrogen_Bond_Donor_Count	2
85571413	Rotatable_Bond_Count	0
62267	Non-hydrogen_Atom_Count	15
21635253	Hydrogen_Bond_Donor_Count	3
523523	Defined_Atom_Stereo_Count	0
90829381	Mono_Isotopic_Weight	665.30474055
4868	Defined_Bond_Stereo_Count	0
73672	Rotatable_Bond_Count	7
25217	Hydrogen_Bond_Donor_Count	0
70851	Undefined_Bond_Stereo_Count	0
193965	Tautomer_Count	2
18476134	Hydrogen_Bond_Acceptor_Count	3
5283739	Undefined_Atom_Stereo_Count	0
3911	Isotope_Atom_Count	0
44609731	Non-hydrogen_Atom_Count	30
12260	Undefined_Bond_Stereo_Count	0
3000667	Molecular_Weight	319.4
22759544	XLogP3-AA	0.1
980806	Structure_Complexity	618
13253	Undefined_Bond_Stereo_Count	0
53361968	Isotope_Atom_Count	0
3296738	Undefined_Bond_Stereo_Count	0
5918	Defined_Atom_Stereo_Count	0
78538	Hydrogen_Bond_Acceptor_Count	4
13947131	Hydrogen_Bond_Donor_Count	2
21040078	Hydrogen_Bond_Donor_Count	1
28639	Hydrogen_Bond_Donor_Count	0
146156670	Total_Formal_Charge	0
447626	Defined_Bond_Stereo_Count	0
135400916	Undefined_Bond_Stereo_Count	0
111032	Hydrogen_Bond_Donor_Count	0
13925935	Hydrogen_Bond_Donor_Count	0
11040632	Defined_Atom_Stereo_Count	0
92374	Undefined_Bond_Stereo_Count	0
10182969	Structure_Complexity	777
5284650	Undefined_Atom_Stereo_Count	0
116225458	Covalent_Unit_Count	1
13184281	Mono_Isotopic_Weight	118.062994177
47721	Defined_Bond_Stereo_Count	0
91435393	Hydrogen_Bond_Donor_Count	2
13770	Mono_Isotopic_Weight	323.1440774
18204	Mono_Isotopic_Weight	160.157563266
12871376	Hydrogen_Bond_Donor_Count	0
9690109	Rotatable_Bond_Count	5
101267493	Non-hydrogen_Atom_Count	46
6918013	Undefined_Bond_Stereo_Count	0
20503852	Isotope_Atom_Count	0
54306059	Total_Formal_Charge	0
15982533	Defined_Atom_Stereo_Count	0
14647	Hydrogen_Bond_Acceptor_Count	1
53396306	Defined_Bond_Stereo_Count	0
62858	Defined_Bond_Stereo_Count	0
18949974	Hydrogen_Bond_Acceptor_Count	3
2763788	Exact_Mass	227.05171847
147707445	Structure_Complexity	382
25945	Defined_Bond_Stereo_Count	0
22168583	Structure_Complexity	300
28961	Rotatable_Bond_Count	0
9879302	Defined_Bond_Stereo_Count	0
24808	Defined_Atom_Stereo_Count	0
134283942	Exact_Mass	111.068413911
6918025	Isotope_Atom_Count	0
11865407	Undefined_Bond_Stereo_Count	0
14187216	Covalent_Unit_Count	1
73303	Molecular_Weight	420.5
9973799	Covalent_Unit_Count	1
236487	Isotope_Atom_Count	0
55299847	XLogP3-AA	0.5
53315139	Total_Formal_Charge	0
440966	Total_Formal_Charge	0
455658	Non-hydrogen_Atom_Count	44
6433402	Isotope_Atom_Count	0
445969	Undefined_Bond_Stereo_Count	0
14844402	Structure_Complexity	1080
7471	Exact_Mass	135.104799419
23681045	Tautomer_Count	1
13373005	Hydrogen_Bond_Acceptor_Count	11
23283041	Hydrogen_Bond_Donor_Count	0
444461	Total_Formal_Charge	0
7270	Undefined_Bond_Stereo_Count	0
60853	Mono_Isotopic_Weight	466.0997026
74370	Defined_Atom_Stereo_Count	0
22068766	Covalent_Unit_Count	1
4485	Covalent_Unit_Count	1
21596552	Covalent_Unit_Count	1
54084075	Hydrogen_Bond_Acceptor_Count	7
82693	XLogP3	2.9
129631814	Covalent_Unit_Count	1
5047209	XLogP3-AA	0.5
9009	Structure_Complexity	55.7
127832	Total_Formal_Charge	0
25015412	XLogP3-AA	2.4
23236224	TPSA	40.9
3082781	TPSA	46.3
6683	Rotatable_Bond_Count	0
154202106	Rotatable_Bond_Count	1
117569444	Hydrogen_Bond_Acceptor_Count	2
37425	Rotatable_Bond_Count	1
5417	Covalent_Unit_Count	1
26633	Defined_Bond_Stereo_Count	0
17166	Exact_Mass	140.120115130
287983	Non-hydrogen_Atom_Count	6
123792	Rotatable_Bond_Count	17
12518095	Defined_Bond_Stereo_Count	0
5496540	Hydrogen_Bond_Donor_Count	22
6992788	Undefined_Bond_Stereo_Count	0
81530	Undefined_Atom_Stereo_Count	0
207	Undefined_Bond_Stereo_Count	0
838	Total_Formal_Charge	0
119171	Undefined_Bond_Stereo_Count	0
154353878	Undefined_Atom_Stereo_Count	0
994871	Non-hydrogen_Atom_Count	37
129786694	Covalent_Unit_Count	1
24812721	Molecular_Weight	377.4
57504266	Mono_Isotopic_Weight	452.1363662
77992	Non-hydrogen_Atom_Count	18
23130216	Defined_Bond_Stereo_Count	0
21637412	Exact_Mass	410.24570956
72068	Mono_Isotopic_Weight	286.04860741
68713	Exact_Mass	255.137162174
163677749	XLogP3-AA	0.7
9794485	Rotatable_Bond_Count	3
156599239	Total_Formal_Charge	0
6993773	Rotatable_Bond_Count	2
25271818	Structure_Complexity	482
51371732	Hydrogen_Bond_Acceptor_Count	5
130144234	Molecular_Weight	96.13
46884664	Hydrogen_Bond_Acceptor_Count	7
21692	Exact_Mass	268.121177757
926	Undefined_Atom_Stereo_Count	8
254598	Undefined_Bond_Stereo_Count	0
31842	Undefined_Bond_Stereo_Count	0
12313849	Mono_Isotopic_Weight	347.07937252
49243	Covalent_Unit_Count	1
54680783	Mono_Isotopic_Weight	250.08412354
64666823	Exact_Mass	100.088815002
2124	Undefined_Bond_Stereo_Count	0
125462886	Rotatable_Bond_Count	12
765	Mono_Isotopic_Weight	283.09166853
22628	Exact_Mass	380.93066
2020	Defined_Bond_Stereo_Count	0
88155838	Defined_Atom_Stereo_Count	5
123373475	Undefined_Atom_Stereo_Count	3
42510	Mono_Isotopic_Weight	293.189197746
118210659	Undefined_Atom_Stereo_Count	0
54057642	Total_Formal_Charge	0
296732	Rotatable_Bond_Count	2
68901489	Structure_Complexity	97.3
7318	Covalent_Unit_Count	1
12721	Undefined_Atom_Stereo_Count	0
82517	Defined_Bond_Stereo_Count	0
16115	Tautomer_Count	2
68466	Undefined_Atom_Stereo_Count	0
968625	Molecular_Weight	330.4
447377	Covalent_Unit_Count	1
18618629	Isotope_Atom_Count	0
6441265	Tautomer_Count	1001
20975302	Mono_Isotopic_Weight	117.042593085
19651	Isotope_Atom_Count	0
11423559	Tautomer_Count	1
2580	Hydrogen_Bond_Acceptor_Count	4
642110	Hydrogen_Bond_Acceptor_Count	2
14373	Rotatable_Bond_Count	5
138440	Undefined_Bond_Stereo_Count	0
5324810	Hydrogen_Bond_Acceptor_Count	3
89785	Hydrogen_Bond_Donor_Count	2
27642	Covalent_Unit_Count	1
1133320	Hydrogen_Bond_Acceptor_Count	7
6365145	Total_Formal_Charge	0
104778	Isotope_Atom_Count	0
5672	Undefined_Atom_Stereo_Count	8
32719	TPSA	12.4
12998	Structure_Complexity	89.5
2145	XLogP3	1.2
18698713	Molecular_Weight	100.12
644109	TPSA	389
33400	Total_Formal_Charge	0
37271	Mono_Isotopic_Weight	237.10010796
23723057	Mono_Isotopic_Weight	274.9752131
12617365	Exact_Mass	415.0741989
6435415	Total_Formal_Charge	0
20426877	Undefined_Atom_Stereo_Count	2
2844	Defined_Atom_Stereo_Count	0
19991465	TPSA	67.5
72200930	TPSA	83.8
21249654	Defined_Atom_Stereo_Count	0
63104	Undefined_Bond_Stereo_Count	0
82220	Total_Formal_Charge	0
317053	Hydrogen_Bond_Donor_Count	1
6931238	Hydrogen_Bond_Acceptor_Count	2
7403	XLogP3	3.9
534954	Isotope_Atom_Count	0
28561	Mono_Isotopic_Weight	177.03606841
440211	Hydrogen_Bond_Acceptor_Count	12
70837	Molecular_Weight	230.22
10267087	Hydrogen_Bond_Acceptor_Count	5
5319404	Covalent_Unit_Count	1
12502754	Defined_Atom_Stereo_Count	0
18710462	Hydrogen_Bond_Acceptor_Count	0
54143259	Non-hydrogen_Atom_Count	7
22961298	Isotope_Atom_Count	0
11438771	Hydrogen_Bond_Donor_Count	0
441364	Exact_Mass	503.2802365
1099	Undefined_Bond_Stereo_Count	0
15442732	Covalent_Unit_Count	1
5922	Isotope_Atom_Count	0
26470417	Molecular_Weight	342.30
53346592	Tautomer_Count	1
7329	Non-hydrogen_Atom_Count	17
3388710	Defined_Bond_Stereo_Count	0
75675	Rotatable_Bond_Count	7
15938972	Structure_Complexity	1270
15156556	Undefined_Atom_Stereo_Count	0
20831	Tautomer_Count	1
26117	Undefined_Atom_Stereo_Count	0
89240655	Hydrogen_Bond_Acceptor_Count	2
2599	Exact_Mass	187.074561919
87110	Exact_Mass	151.0188769
117186636	Rotatable_Bond_Count	1
6917984	Undefined_Atom_Stereo_Count	0
12556661	Hydrogen_Bond_Acceptor_Count	0
40550	Defined_Atom_Stereo_Count	0
9804743	XLogP3-AA	3
46782362	Mono_Isotopic_Weight	446.13339966
54459901	Hydrogen_Bond_Acceptor_Count	2
57358854	Exact_Mass	295.09245548
51921896	Exact_Mass	342.11621151
104775	Defined_Bond_Stereo_Count	0
21580808	Isotope_Atom_Count	0
2460	Rotatable_Bond_Count	8
1718	Non-hydrogen_Atom_Count	23
129831062	Covalent_Unit_Count	1
71117	Molecular_Weight	346.4
5051	Rotatable_Bond_Count	11
121250	Rotatable_Bond_Count	2
31222	Hydrogen_Bond_Donor_Count	2
155894642	Undefined_Atom_Stereo_Count	0
129717505	Molecular_Weight	201.22
104150	Undefined_Atom_Stereo_Count	0
21698764	XLogP3-AA	1.2
44277532	Covalent_Unit_Count	1
437080	Undefined_Atom_Stereo_Count	26
100959353	TPSA	104
11218470	Hydrogen_Bond_Acceptor_Count	3
13400657	Non-hydrogen_Atom_Count	7
824657	Total_Formal_Charge	0
449242	Covalent_Unit_Count	1
2129427	Exact_Mass	309.07495584
54715668	Mono_Isotopic_Weight	188.94254
65499	Structure_Complexity	569
149096	Tautomer_Count	1
94508	Mono_Isotopic_Weight	180.06472551
9907093	Structure_Complexity	710
53724680	TPSA	12
117822	Structure_Complexity	356
135445749	Mono_Isotopic_Weight	503.15052004
89264894	Hydrogen_Bond_Acceptor_Count	2
139158	Isotope_Atom_Count	0
10887868	Isotope_Atom_Count	0
95479940	Total_Formal_Charge	0
13045210	Defined_Bond_Stereo_Count	0
834519	Undefined_Atom_Stereo_Count	0
5108383	Exact_Mass	335.09397721
21983433	Molecular_Weight	293.49
67639	Molecular_Weight	332.09
71113	Hydrogen_Bond_Donor_Count	1
7266	Undefined_Atom_Stereo_Count	0
3033031	Isotope_Atom_Count	0
450484	Non-hydrogen_Atom_Count	22
562729	Molecular_Weight	192.21
21930924	Molecular_Weight	371.2
604767	Hydrogen_Bond_Acceptor_Count	4
893673	Defined_Atom_Stereo_Count	0
12048	Molecular_Weight	100.20
366729	Structure_Complexity	323
24194381	Defined_Bond_Stereo_Count	0
20055404	Rotatable_Bond_Count	7
47552	XLogP3	0.5
5284542	Non-hydrogen_Atom_Count	19
54610154	Undefined_Bond_Stereo_Count	0
61259	Isotope_Atom_Count	0
148837658	Total_Formal_Charge	0
1724	Covalent_Unit_Count	1
509554	Covalent_Unit_Count	1
44758	Hydrogen_Bond_Donor_Count	2
91236903	Mono_Isotopic_Weight	110.109550447
5355751	Isotope_Atom_Count	0
2723699	Tautomer_Count	2
101099404	Covalent_Unit_Count	1
88314418	Defined_Atom_Stereo_Count	0
8715	Structure_Complexity	97.1
75195	Covalent_Unit_Count	1
9867061	XLogP3-AA	3.3
846962	Isotope_Atom_Count	0
3642	Rotatable_Bond_Count	6
67128140	Hydrogen_Bond_Acceptor_Count	4
81653	Mono_Isotopic_Weight	101.120449483
60196404	Structure_Complexity	886
65876	Undefined_Bond_Stereo_Count	0
8948	Hydrogen_Bond_Acceptor_Count	3
22986754	Molecular_Weight	112.17
9831783	Defined_Atom_Stereo_Count	2
4363	Undefined_Bond_Stereo_Count	0
963699	Exact_Mass	289.0869564
74978	Non-hydrogen_Atom_Count	18
70678916	Hydrogen_Bond_Acceptor_Count	8
14819036	Molecular_Weight	78.07
23685289	Non-hydrogen_Atom_Count	9
65490	XLogP3	3.7
9952916	Undefined_Bond_Stereo_Count	0
8194	Total_Formal_Charge	0
31425	Defined_Atom_Stereo_Count	0
10407503	Rotatable_Bond_Count	4
71857	Defined_Atom_Stereo_Count	0
77470	Hydrogen_Bond_Donor_Count	1
119569	Undefined_Bond_Stereo_Count	0
135761165	Hydrogen_Bond_Donor_Count	4
31386	Defined_Atom_Stereo_Count	0
198231	Rotatable_Bond_Count	3
148931546	Total_Formal_Charge	0
11597697	Rotatable_Bond_Count	8
657202	TPSA	26.3
11688573	Undefined_Atom_Stereo_Count	0
72200939	Undefined_Atom_Stereo_Count	0
57401681	XLogP3-AA	5
29858	Isotope_Atom_Count	0
10118131	Defined_Atom_Stereo_Count	0
445461	Non-hydrogen_Atom_Count	61
219301	Undefined_Atom_Stereo_Count	0
653145	Total_Formal_Charge	0
57328384	Isotope_Atom_Count	0
16212960	Undefined_Bond_Stereo_Count	0
66634681	Defined_Atom_Stereo_Count	0
124085867	Undefined_Atom_Stereo_Count	0
6321424	Rotatable_Bond_Count	8
441073	Exact_Mass	324.183778013
4284331	Non-hydrogen_Atom_Count	31
2724	Mono_Isotopic_Weight	245.0454856
46205733	Mono_Isotopic_Weight	622.2324904
91230338	Hydrogen_Bond_Acceptor_Count	0
73957	Covalent_Unit_Count	2
54315893	Non-hydrogen_Atom_Count	8
37109	Hydrogen_Bond_Donor_Count	1
72332	Hydrogen_Bond_Donor_Count	2
454386	Rotatable_Bond_Count	4
12096001	Rotatable_Bond_Count	6
61574	Rotatable_Bond_Count	16
18745	Molecular_Weight	136.19
6473	Defined_Bond_Stereo_Count	0
15129466	Non-hydrogen_Atom_Count	8
693165	Rotatable_Bond_Count	4
163640634	Isotope_Atom_Count	0
53786	Molecular_Weight	370.4
91290078	Hydrogen_Bond_Acceptor_Count	1
7947	TPSA	0
32803	XLogP3-AA	0.6
53174	Hydrogen_Bond_Donor_Count	2
4045	Undefined_Bond_Stereo_Count	0
191841	Total_Formal_Charge	0
1299	Isotope_Atom_Count	0
69610	Mono_Isotopic_Weight	99.98895804
6420040	Undefined_Atom_Stereo_Count	0
2734243	Undefined_Atom_Stereo_Count	0
135461001	Exact_Mass	433.13459597
32343	Defined_Bond_Stereo_Count	0
14989493	Undefined_Atom_Stereo_Count	0
123678021	Exact_Mass	108.093900383
10899282	Defined_Atom_Stereo_Count	4
9813758	Molecular_Weight	255.32
23418	Hydrogen_Bond_Donor_Count	2
4585667	Tautomer_Count	3
22056720	Hydrogen_Bond_Acceptor_Count	1
92421	Undefined_Bond_Stereo_Count	0
78972	Rotatable_Bond_Count	0
611967	Covalent_Unit_Count	1
123678021	Undefined_Atom_Stereo_Count	0
14012376	Mono_Isotopic_Weight	306.14806121
102846	Defined_Bond_Stereo_Count	0
13561474	Non-hydrogen_Atom_Count	8
61100	Molecular_Weight	234.28
47531	Total_Formal_Charge	0
12313981	Hydrogen_Bond_Acceptor_Count	19
703128	Mono_Isotopic_Weight	287.15214353
20494989	Defined_Atom_Stereo_Count	0
48041	Rotatable_Bond_Count	6
68503	Mono_Isotopic_Weight	183.98876
3525005	Non-hydrogen_Atom_Count	8
56965681	Non-hydrogen_Atom_Count	7
12318317	Molecular_Weight	131.17
24585	Molecular_Weight	154.25
66879	XLogP3-AA	1.8
35075	Structure_Complexity	187
14949211	TPSA	12
4043	Defined_Atom_Stereo_Count	0
6989253	Undefined_Bond_Stereo_Count	0
21800	Undefined_Atom_Stereo_Count	0
25217475	Hydrogen_Bond_Donor_Count	7
72665	Isotope_Atom_Count	0
439935	Undefined_Atom_Stereo_Count	0
160244305	Defined_Atom_Stereo_Count	12
67482753	Defined_Atom_Stereo_Count	0
21490219	Non-hydrogen_Atom_Count	7
13586013	Molecular_Weight	103.12
61286	Defined_Bond_Stereo_Count	0
517441	Total_Formal_Charge	0
6374	Defined_Bond_Stereo_Count	0
165706199	Structure_Complexity	1370
611	Molecular_Weight	147.13
64968	Hydrogen_Bond_Acceptor_Count	14
25917	Defined_Bond_Stereo_Count	0
413742	Covalent_Unit_Count	1
147895	Covalent_Unit_Count	1
19254	Tautomer_Count	5
72266	Hydrogen_Bond_Acceptor_Count	8
6323236	Structure_Complexity	1530
66858	Hydrogen_Bond_Donor_Count	1
93418	Hydrogen_Bond_Donor_Count	5
76739	Isotope_Atom_Count	0
445580	Covalent_Unit_Count	1
7642	TPSA	52.6
20838642	Undefined_Bond_Stereo_Count	0
7304	Defined_Bond_Stereo_Count	0
68638786	Covalent_Unit_Count	2
15561472	Covalent_Unit_Count	1
71835	Molecular_Weight	263.12
71433133	Defined_Bond_Stereo_Count	0
11446863	Molecular_Weight	194.13
3393	Non-hydrogen_Atom_Count	27
3624	Isotope_Atom_Count	0
98850	XLogP3-AA	0.6
82095	Rotatable_Bond_Count	0
91170688	Total_Formal_Charge	0
15024801	Hydrogen_Bond_Donor_Count	0
47500	Undefined_Bond_Stereo_Count	0
11393	Molecular_Weight	186.21
16229	Non-hydrogen_Atom_Count	28
91143491	Structure_Complexity	97.1
56962215	Rotatable_Bond_Count	0
82461	Non-hydrogen_Atom_Count	14
16218979	Undefined_Bond_Stereo_Count	0
16307	Hydrogen_Bond_Donor_Count	0
55285271	Rotatable_Bond_Count	1
23695542	Hydrogen_Bond_Acceptor_Count	4
16960	Mono_Isotopic_Weight	318.07316
5351154	Exact_Mass	184.11849242
135763205	Exact_Mass	384.04160728
123752006	Total_Formal_Charge	0
74615	Non-hydrogen_Atom_Count	7
90227	Non-hydrogen_Atom_Count	27
67541	Structure_Complexity	263
11510932	Molecular_Weight	461.4
10465	Undefined_Bond_Stereo_Count	0
57403867	Hydrogen_Bond_Donor_Count	3
44560668	Molecular_Weight	401.5
81166	Exact_Mass	199.06669983
49866945	Molecular_Weight	663.3
53631439	Hydrogen_Bond_Acceptor_Count	2
98044763	Hydrogen_Bond_Acceptor_Count	5
4944	Undefined_Atom_Stereo_Count	0
20769606	Exact_Mass	114.068079557
9805776	Exact_Mass	494.16239112
4868	Isotope_Atom_Count	0
11954292	Rotatable_Bond_Count	28
46936582	Total_Formal_Charge	0
74041114	Covalent_Unit_Count	1
12867435	Hydrogen_Bond_Donor_Count	0
17860	Mono_Isotopic_Weight	177.126597491
176096	XLogP3	2.7
85786508	Molecular_Weight	112.17
44338981	Defined_Atom_Stereo_Count	0
522596	Isotope_Atom_Count	0
439263	Molecular_Weight	156.26
20146588	Defined_Atom_Stereo_Count	0
21465770	TPSA	37.3
3121	Rotatable_Bond_Count	5
98043896	Non-hydrogen_Atom_Count	30
89646	Exact_Mass	204.05349212
54980	Structure_Complexity	323
18622355	Non-hydrogen_Atom_Count	8
4626972	Isotope_Atom_Count	0
90613	Non-hydrogen_Atom_Count	16
19705594	Defined_Bond_Stereo_Count	0
6461	Defined_Bond_Stereo_Count	0
58463204	Molecular_Weight	108.18
136951315	Covalent_Unit_Count	2
9811353	Hydrogen_Bond_Donor_Count	10
439368	TPSA	46.5
146049032	Defined_Bond_Stereo_Count	0
11083822	Hydrogen_Bond_Acceptor_Count	1
160876	Total_Formal_Charge	1
11783	Covalent_Unit_Count	1
13401682	Non-hydrogen_Atom_Count	8
14714356	TPSA	9.2
44246477	Defined_Bond_Stereo_Count	0
67495	Total_Formal_Charge	0
90845	Hydrogen_Bond_Acceptor_Count	0
50262	XLogP3-AA	1
131003005	Mono_Isotopic_Weight	112.088815002
16239	Defined_Atom_Stereo_Count	0
76658	Exact_Mass	182.05790880
12394846	Defined_Atom_Stereo_Count	0
4451	Molecular_Weight	567.8
1574	Mono_Isotopic_Weight	190.110613074
20983	Total_Formal_Charge	0
495	Covalent_Unit_Count	1
64232	Defined_Bond_Stereo_Count	0
3054	Rotatable_Bond_Count	4
11538455	Structure_Complexity	533
25023858	Mono_Isotopic_Weight	468.25252628
2724995	Exact_Mass	239.10655327
14020433	Hydrogen_Bond_Acceptor_Count	2
13427979	Defined_Atom_Stereo_Count	0
146808246	Defined_Bond_Stereo_Count	0
163319916	TPSA	0
13506	Exact_Mass	603.92689092
62388	Undefined_Atom_Stereo_Count	2
439182	Total_Formal_Charge	0
72732	Defined_Bond_Stereo_Count	0
1775	Non-hydrogen_Atom_Count	19
44454985	Hydrogen_Bond_Donor_Count	3
2546	TPSA	112
12438035	Structure_Complexity	79.3
705645	Hydrogen_Bond_Donor_Count	1
16212118	Exact_Mass	320.20999276
12705044	Exact_Mass	104.062600255
90148216	Undefined_Bond_Stereo_Count	0
135424747	Covalent_Unit_Count	1
16822	Undefined_Atom_Stereo_Count	0
167266	Rotatable_Bond_Count	1
82418987	Isotope_Atom_Count	0
229	TPSA	90.2
23676745	Rotatable_Bond_Count	2
12331	Hydrogen_Bond_Donor_Count	1
123565918	Mono_Isotopic_Weight	108.093900383
79088	Undefined_Atom_Stereo_Count	0
80715	Structure_Complexity	262
23727981	Molecular_Weight	241.25
25137918	Structure_Complexity	710
9961	Hydrogen_Bond_Donor_Count	0
2803	XLogP3	1.6
95483	XLogP3-AA	1.2
73648	Defined_Bond_Stereo_Count	0
6451481	Mono_Isotopic_Weight	105.057849228
51041322	Isotope_Atom_Count	5
119058036	Hydrogen_Bond_Donor_Count	61
9231	XLogP3	3.2
208954	TPSA	78.3
7070	Tautomer_Count	1
643976	Exact_Mass	456.10461526
57589	Undefined_Bond_Stereo_Count	0
121492767	Total_Formal_Charge	0
11007917	Undefined_Atom_Stereo_Count	0
82045	Exact_Mass	315.27734404
23982	Mono_Isotopic_Weight	157.92411
73285	Total_Formal_Charge	0
69086581	TPSA	31
11198850	Exact_Mass	348.115029749
3856780	Structure_Complexity	417
5364711	TPSA	26.3
15661697	Molecular_Weight	114.10
60196290	Rotatable_Bond_Count	10
155465	Defined_Atom_Stereo_Count	0
7098641	TPSA	150
11170931	Total_Formal_Charge	0
5746	Rotatable_Bond_Count	4
637885	TPSA	58.9
47104	Structure_Complexity	350
135398633	Covalent_Unit_Count	1
120303	Hydrogen_Bond_Donor_Count	0
73948	Non-hydrogen_Atom_Count	6
140470	Defined_Atom_Stereo_Count	0
242493	Undefined_Bond_Stereo_Count	0
31233	Total_Formal_Charge	0
16911	Undefined_Bond_Stereo_Count	0
2735085	Non-hydrogen_Atom_Count	6
46631	XLogP3-AA	1.3
119097406	Covalent_Unit_Count	1
128563	TPSA	109
31193	Hydrogen_Bond_Donor_Count	0
81432	XLogP3-AA	2.5
13662	Hydrogen_Bond_Acceptor_Count	2
6450807	Covalent_Unit_Count	1
19516	Hydrogen_Bond_Acceptor_Count	2
57398257	Total_Formal_Charge	0
67246787	Non-hydrogen_Atom_Count	29
94317	Structure_Complexity	86.6
10102486	Structure_Complexity	1640
73889	TPSA	41.1
778	Isotope_Atom_Count	0
3353976	Exact_Mass	191.07284784
7558	XLogP3	3.5
28532	Isotope_Atom_Count	0
8722	Undefined_Bond_Stereo_Count	0
11655511	Structure_Complexity	732
10306	Isotope_Atom_Count	0
890907	Molecular_Weight	250.29
76548	Non-hydrogen_Atom_Count	12
11	Total_Formal_Charge	0
71810	TPSA	26.3
12754	Molecular_Weight	191.45
5462306	Undefined_Bond_Stereo_Count	0
14964043	Non-hydrogen_Atom_Count	7
11077530	Molecular_Weight	303.14
3966	TPSA	6.5
25245437	Defined_Bond_Stereo_Count	1
25162926	Exact_Mass	583.23212480
193433	Hydrogen_Bond_Acceptor_Count	6
198253	Molecular_Weight	133.17
8949	Exact_Mass	213.9963942
5748217	Hydrogen_Bond_Acceptor_Count	5
146345448	TPSA	30.5
22096	Hydrogen_Bond_Donor_Count	0
13132266	Total_Formal_Charge	0
12221	Non-hydrogen_Atom_Count	4
88483174	Undefined_Atom_Stereo_Count	1
24848920	Defined_Bond_Stereo_Count	0
12053	Rotatable_Bond_Count	1
87703	Undefined_Atom_Stereo_Count	0
5353495	Hydrogen_Bond_Acceptor_Count	15
136070	Undefined_Bond_Stereo_Count	0
1252759	Exact_Mass	152.120115130
27124	Defined_Atom_Stereo_Count	0
10518	Defined_Bond_Stereo_Count	0
124021	Covalent_Unit_Count	1
25137873	Isotope_Atom_Count	0
3080818	Structure_Complexity	373
104485	Covalent_Unit_Count	1
21549213	Non-hydrogen_Atom_Count	7
285725	Defined_Atom_Stereo_Count	0
139586220	TPSA	104
657298	Defined_Bond_Stereo_Count	0
58116879	Undefined_Atom_Stereo_Count	1
40029	XLogP3-AA	3.8
6777	Hydrogen_Bond_Donor_Count	0
70509	Exact_Mass	217.93787
65094	Covalent_Unit_Count	1
53677316	Defined_Bond_Stereo_Count	0
6917733	Tautomer_Count	1
11538455	TPSA	95.3
522287	Isotope_Atom_Count	0
123516214	Total_Formal_Charge	0
9929138	Hydrogen_Bond_Donor_Count	2
85056	Hydrogen_Bond_Donor_Count	0
5280440	Total_Formal_Charge	0
14794988	Undefined_Atom_Stereo_Count	0
6145931	Total_Formal_Charge	0
57370827	Total_Formal_Charge	0
43976	TPSA	67
2998	Molecular_Weight	293.4
12922658	Mono_Isotopic_Weight	581.35638220
83966	Mono_Isotopic_Weight	331.10558726
6437358	Structure_Complexity	1210
176872	Mono_Isotopic_Weight	957.58135632
32940	Mono_Isotopic_Weight	287.0825398
23683747	Structure_Complexity	299
6419902	Covalent_Unit_Count	3
91599894	Defined_Atom_Stereo_Count	0
25074887	Mono_Isotopic_Weight	1429.6698184
23615311	TPSA	141
123457	Hydrogen_Bond_Acceptor_Count	1
146935695	Hydrogen_Bond_Donor_Count	0
61237	Total_Formal_Charge	0
589692	Covalent_Unit_Count	1
267769	Tautomer_Count	1
9828310	Non-hydrogen_Atom_Count	37
14307964	Undefined_Atom_Stereo_Count	1
543880	Undefined_Bond_Stereo_Count	0
10332398	Defined_Atom_Stereo_Count	0
147201521	Defined_Atom_Stereo_Count	0
154419142	Rotatable_Bond_Count	1
54949	Isotope_Atom_Count	0
129628181	Structure_Complexity	2340
61013	Defined_Bond_Stereo_Count	0
92768	Defined_Atom_Stereo_Count	0
441476	Molecular_Weight	194.14
8520	Non-hydrogen_Atom_Count	25
107780	Rotatable_Bond_Count	6
53316474	XLogP3-AA	2.8
12599704	Undefined_Bond_Stereo_Count	0
1469	Undefined_Atom_Stereo_Count	1
251513	Structure_Complexity	258
11215	Rotatable_Bond_Count	2
43708	Total_Formal_Charge	0
28936	Mono_Isotopic_Weight	425.94662
15221251	Hydrogen_Bond_Acceptor_Count	7
65814	Covalent_Unit_Count	1
86671471	Structure_Complexity	40.7
21613900	Hydrogen_Bond_Acceptor_Count	2
3295	Hydrogen_Bond_Donor_Count	1
29124	Molecular_Weight	229.28
118978207	TPSA	20.2
69460	Total_Formal_Charge	0
2058	Isotope_Atom_Count	0
27952	Undefined_Atom_Stereo_Count	0
2754342	Hydrogen_Bond_Acceptor_Count	2
7074810	TPSA	74.6
9531	Covalent_Unit_Count	1
12100	Hydrogen_Bond_Acceptor_Count	0
21635253	Rotatable_Bond_Count	4
14172370	Defined_Atom_Stereo_Count	0
102090452	Hydrogen_Bond_Acceptor_Count	18
9835049	Defined_Bond_Stereo_Count	0
5150303	Mono_Isotopic_Weight	330.0376063
79828	Rotatable_Bond_Count	3
11638363	TPSA	58.7
100934359	Defined_Atom_Stereo_Count	0
31157	Rotatable_Bond_Count	1
89748954	Undefined_Atom_Stereo_Count	2
443382	Defined_Atom_Stereo_Count	2
20470622	Structure_Complexity	145
11405	Defined_Bond_Stereo_Count	0
16212773	Mono_Isotopic_Weight	354.15646954
123591	Exact_Mass	720
46783795	Defined_Bond_Stereo_Count	0
17110	Mono_Isotopic_Weight	287.25727730
6956	TPSA	86.2
97535	Defined_Bond_Stereo_Count	0
2346	Exact_Mass	149.02992040
7111	Molecular_Weight	184.24
14976610	Undefined_Bond_Stereo_Count	0
23668193	Mono_Isotopic_Weight	68.98267252
44629600	Rotatable_Bond_Count	12
564864	Rotatable_Bond_Count	2
41438	Hydrogen_Bond_Acceptor_Count	8
35911	Covalent_Unit_Count	1
5282181	Hydrogen_Bond_Donor_Count	2
77342	XLogP3-AA	0
60595	Mono_Isotopic_Weight	264.126263138
58242071	Mono_Isotopic_Weight	100.088815002
12187	Defined_Bond_Stereo_Count	0
7555	Defined_Bond_Stereo_Count	0
31492	Tautomer_Count	1
2764874	Covalent_Unit_Count	1
7081	Covalent_Unit_Count	1
10007	Isotope_Atom_Count	0
26989	Isotope_Atom_Count	0
19888391	Isotope_Atom_Count	0
1000	Mono_Isotopic_Weight	137.084063974
165609608	Exact_Mass	112.088815002
20470206	Molecular_Weight	108.18
44630020	Mono_Isotopic_Weight	497.12580676
71374162	Defined_Atom_Stereo_Count	0
24247	XLogP3-AA	2.3
12493366	Total_Formal_Charge	0
105084	Rotatable_Bond_Count	1
157568	TPSA	26.3
10235	Isotope_Atom_Count	0
60594	Covalent_Unit_Count	1
4206	Rotatable_Bond_Count	13
4274588	Rotatable_Bond_Count	1
642209	Structure_Complexity	95.6
71676045	Hydrogen_Bond_Acceptor_Count	10
17779280	Covalent_Unit_Count	1
12023	Hydrogen_Bond_Donor_Count	1
22154890	Hydrogen_Bond_Acceptor_Count	0
17855362	Non-hydrogen_Atom_Count	6
71449988	Defined_Atom_Stereo_Count	0
22132230	Mono_Isotopic_Weight	102.079312947
123678021	Hydrogen_Bond_Acceptor_Count	0
144686955	TPSA	190
12660241	Isotope_Atom_Count	0
176873	Exact_Mass	588.30199564
50023	Defined_Atom_Stereo_Count	0
7156899	Total_Formal_Charge	0
13113267	Molecular_Weight	112.17
63954	Structure_Complexity	700
84461	Tautomer_Count	2
819269	Undefined_Bond_Stereo_Count	0
9862	Mono_Isotopic_Weight	126.104465066
133952	Hydrogen_Bond_Acceptor_Count	7
453915	Hydrogen_Bond_Donor_Count	0
90921336	Tautomer_Count	2
500460	Molecular_Weight	208.25
12713	Non-hydrogen_Atom_Count	14
1548941	TPSA	70.8
129027658	Rotatable_Bond_Count	0
10923804	Mono_Isotopic_Weight	275.11912932
2251	Rotatable_Bond_Count	8
16683101	Total_Formal_Charge	0
16138	Non-hydrogen_Atom_Count	28
6433	Defined_Atom_Stereo_Count	0
279451	TPSA	41.1
6335507	Defined_Atom_Stereo_Count	2
20136781	Structure_Complexity	1010
22833294	Molecular_Weight	377.3
633	TPSA	34.1
124009720	XLogP3-AA	0.2
429095	Rotatable_Bond_Count	5
66704467	Covalent_Unit_Count	1
53396299	Defined_Atom_Stereo_Count	0
3086677	Undefined_Bond_Stereo_Count	0
157736	Non-hydrogen_Atom_Count	22
53302285	Non-hydrogen_Atom_Count	7
24480	Structure_Complexity	2.8
3015937	Structure_Complexity	104
130121992	Defined_Atom_Stereo_Count	0
134689013	TPSA	38.8
153751	Undefined_Atom_Stereo_Count	0
26249	XLogP3	4.6
135565589	Defined_Atom_Stereo_Count	4
51029964	Exact_Mass	463.18894022
4042	Rotatable_Bond_Count	3
6443800	Rotatable_Bond_Count	9
2756534	Defined_Bond_Stereo_Count	0
21713016	Undefined_Bond_Stereo_Count	0
534566	Tautomer_Count	3
139626115	Non-hydrogen_Atom_Count	7
164631	Defined_Atom_Stereo_Count	1
101938021	Undefined_Atom_Stereo_Count	0
97497	Molecular_Weight	96.13
107917	Undefined_Bond_Stereo_Count	0
82259	Isotope_Atom_Count	0
12304539	Total_Formal_Charge	0
6992101	TPSA	67.8
22611874	Total_Formal_Charge	0
16115747	Undefined_Atom_Stereo_Count	0
12830097	Isotope_Atom_Count	0
11007841	Defined_Atom_Stereo_Count	0
99404	Molecular_Weight	228.31
66602	Defined_Atom_Stereo_Count	0
723	Rotatable_Bond_Count	2
220164	Covalent_Unit_Count	1
13029605	Covalent_Unit_Count	1
121945	Isotope_Atom_Count	0
139134	Covalent_Unit_Count	1
12140079	Structure_Complexity	151
58647035	Rotatable_Bond_Count	1
5317	Undefined_Atom_Stereo_Count	4
19004	Undefined_Atom_Stereo_Count	1
549097	Isotope_Atom_Count	0
36688209	Hydrogen_Bond_Acceptor_Count	4
9841233	Hydrogen_Bond_Acceptor_Count	4
443310	Mono_Isotopic_Weight	852.38063989
284998	Rotatable_Bond_Count	5
42884	Hydrogen_Bond_Donor_Count	0
104902	Total_Formal_Charge	0
20270668	Total_Formal_Charge	0
24536	Structure_Complexity	135
129544	Covalent_Unit_Count	1
58153375	Non-hydrogen_Atom_Count	6
110835	Non-hydrogen_Atom_Count	46
1302	Mono_Isotopic_Weight	230.094294304
23665731	Isotope_Atom_Count	0
13217907	Molecular_Weight	111.14
15217249	Undefined_Atom_Stereo_Count	1
515	Covalent_Unit_Count	1
12500872	Molecular_Weight	100.16
15816	Exact_Mass	216.13615911
4317	TPSA	116
41095	Exact_Mass	249.172878976
126737575	Hydrogen_Bond_Donor_Count	1
5289418	Exact_Mass	296.11609238
75579	Hydrogen_Bond_Donor_Count	0
73854	Isotope_Atom_Count	0
11137890	Exact_Mass	188.177630004
60769	Isotope_Atom_Count	0
13813927	Hydrogen_Bond_Acceptor_Count	2
123585399	Non-hydrogen_Atom_Count	7
5702279	Hydrogen_Bond_Acceptor_Count	18
9868580	Hydrogen_Bond_Acceptor_Count	4
57038995	Exact_Mass	96.057514874
26998	Structure_Complexity	110
192711	XLogP3-AA	4.2
54258195	Hydrogen_Bond_Acceptor_Count	3
70065832	Isotope_Atom_Count	0
5282165	Isotope_Atom_Count	0
65092	Undefined_Atom_Stereo_Count	0
2742181	Isotope_Atom_Count	0
954673	Isotope_Atom_Count	0
7567018	Total_Formal_Charge	0
141545	Defined_Bond_Stereo_Count	0
19392414	TPSA	61.8
33014	Non-hydrogen_Atom_Count	22
6960	Hydrogen_Bond_Donor_Count	0
13848133	Structure_Complexity	72.1
111318	Structure_Complexity	697
5233031	Molecular_Weight	303.2
524640	Isotope_Atom_Count	0
144606028	Defined_Atom_Stereo_Count	0
65784	Defined_Bond_Stereo_Count	0
23106685	Exact_Mass	101.084063974
533854	Undefined_Bond_Stereo_Count	0
17833	Tautomer_Count	1
54587759	Covalent_Unit_Count	1
638081	Rotatable_Bond_Count	0
41733	Hydrogen_Bond_Acceptor_Count	2
5142	Tautomer_Count	1
20216100	Rotatable_Bond_Count	0
109022	Covalent_Unit_Count	1
5319754	Rotatable_Bond_Count	2
4386	Rotatable_Bond_Count	3
139088049	Structure_Complexity	953
60612	Mono_Isotopic_Weight	200.131348519
149514711	Molecular_Weight	112.17
87212	Defined_Atom_Stereo_Count	0
13347991	Exact_Mass	108.093900383
2422	Molecular_Weight	340.4
24780	Structure_Complexity	760
58189	Total_Formal_Charge	0
87518	Hydrogen_Bond_Acceptor_Count	2
138991760	Non-hydrogen_Atom_Count	38
14241464	TPSA	42.5
9871074	XLogP3-AA	3.7
59110799	Defined_Bond_Stereo_Count	0
5282426	Rotatable_Bond_Count	3
8287	Mono_Isotopic_Weight	361.1618684
35754	Mono_Isotopic_Weight	281.08506629
8948	Non-hydrogen_Atom_Count	5
12720	Undefined_Atom_Stereo_Count	0
11319223	TPSA	121
182	Non-hydrogen_Atom_Count	78
71449857	Molecular_Weight	477.4
593919	Defined_Atom_Stereo_Count	0
124838013	Non-hydrogen_Atom_Count	59
6432903	Rotatable_Bond_Count	5
51947	Molecular_Weight	377.27
129009911	Undefined_Atom_Stereo_Count	0
13908	Molecular_Weight	216.26
135412163	TPSA	83.8
79243	Total_Formal_Charge	0
70273609	Covalent_Unit_Count	1
129812304	Exact_Mass	125.95870674
20136721	Hydrogen_Bond_Donor_Count	0
55305	Rotatable_Bond_Count	4
3094	XLogP3-AA	6.6
22525209	Exact_Mass	811.47314329
22463839	Hydrogen_Bond_Donor_Count	0
11744314	Mono_Isotopic_Weight	446.1608497
32122	Rotatable_Bond_Count	8
23663412	Non-hydrogen_Atom_Count	41
141225356	Exact_Mass	408.12969158
558521	Covalent_Unit_Count	1
67121664	Exact_Mass	112.088815002
22952912	Hydrogen_Bond_Acceptor_Count	2
88970	Rotatable_Bond_Count	9
12695618	Rotatable_Bond_Count	0
8351	Structure_Complexity	229
6132	Rotatable_Bond_Count	6
8141	Total_Formal_Charge	0
524646	Defined_Atom_Stereo_Count	0
14822542	Structure_Complexity	457
130250598	Total_Formal_Charge	0
17166	TPSA	17.1
33547	TPSA	101
2415	Structure_Complexity	618
53320156	Undefined_Bond_Stereo_Count	0
67214459	Molecular_Weight	111.14
132519	Structure_Complexity	554
73653998	XLogP3-AA	0.4
656506	Isotope_Atom_Count	0
141583717	TPSA	49.7
23279312	Undefined_Bond_Stereo_Count	0
83822	Covalent_Unit_Count	1
57993933	Hydrogen_Bond_Acceptor_Count	1
9821547	TPSA	77.4
84647654	Non-hydrogen_Atom_Count	8
85608268	Non-hydrogen_Atom_Count	8
413528	Non-hydrogen_Atom_Count	19
5287851	Defined_Atom_Stereo_Count	2
2762816	Hydrogen_Bond_Donor_Count	1
22641151	Covalent_Unit_Count	1
6667	Structure_Complexity	322
70689065	Structure_Complexity	999
2321753	Hydrogen_Bond_Donor_Count	1
101875160	TPSA	32.3
1549065	Hydrogen_Bond_Donor_Count	1
97035	Structure_Complexity	270
447994	TPSA	119
3032307	Rotatable_Bond_Count	6
398517	TPSA	100
6659	Rotatable_Bond_Count	2
5249080	Hydrogen_Bond_Donor_Count	0
11700183	Isotope_Atom_Count	0
11304743	Molecular_Weight	422.4
242722	TPSA	12.9
12309462	Structure_Complexity	470
15415	Defined_Bond_Stereo_Count	0
76735	Structure_Complexity	296
16109396	Molecular_Weight	356.4
14520	Covalent_Unit_Count	1
22175060	Mono_Isotopic_Weight	117.078978594
458096	Isotope_Atom_Count	0
4796	Hydrogen_Bond_Donor_Count	7
73707427	Structure_Complexity	688
9823302	Isotope_Atom_Count	0
23422064	Non-hydrogen_Atom_Count	12
22055193	Hydrogen_Bond_Acceptor_Count	2
16217535	Defined_Bond_Stereo_Count	0
60824	XLogP3-AA	2.2
681183	Non-hydrogen_Atom_Count	22
418247	Total_Formal_Charge	0
694648	XLogP3-AA	3.6
88261	Exact_Mass	230.224580195
69677	Molecular_Weight	134.06
14765771	TPSA	49.8
22990584	Undefined_Bond_Stereo_Count	0
11019447	Undefined_Bond_Stereo_Count	0
9984487	Total_Formal_Charge	0
66992840	Undefined_Atom_Stereo_Count	0
54572926	Isotope_Atom_Count	0
3343	Mono_Isotopic_Weight	303.14705815
30949	Undefined_Atom_Stereo_Count	0
14315	TPSA	0
2797676	Molecular_Weight	308.3
78062813	Defined_Atom_Stereo_Count	0
535504	XLogP3-AA	0.2
113415	Defined_Bond_Stereo_Count	0
12563	Tautomer_Count	1
14818447	TPSA	0
614	Undefined_Bond_Stereo_Count	0
130035834	Undefined_Bond_Stereo_Count	0
307976	Defined_Atom_Stereo_Count	0
73271	Hydrogen_Bond_Acceptor_Count	4
54332784	Total_Formal_Charge	0
5364759	Isotope_Atom_Count	0
163591174	Undefined_Bond_Stereo_Count	0
7768	Isotope_Atom_Count	0
7255	Undefined_Bond_Stereo_Count	0
318232	Isotope_Atom_Count	0
13019047	Total_Formal_Charge	0
1474853	Structure_Complexity	466
81472	Undefined_Atom_Stereo_Count	0
677105	Covalent_Unit_Count	1
556209	Hydrogen_Bond_Donor_Count	1
5351564	Undefined_Bond_Stereo_Count	0
126290	Molecular_Weight	510.7
539001	Total_Formal_Charge	0
123969717	XLogP3-AA	0.6
15558252	Defined_Bond_Stereo_Count	0
2564	Isotope_Atom_Count	0
68289010	Mono_Isotopic_Weight	345.14504152
138109343	Undefined_Atom_Stereo_Count	2
55291303	Covalent_Unit_Count	1
4986139	Mono_Isotopic_Weight	412.9658767
44338979	TPSA	167
22108	Isotope_Atom_Count	0
670	Undefined_Bond_Stereo_Count	0
436	Undefined_Atom_Stereo_Count	0
77982	Defined_Bond_Stereo_Count	0
5230726	Defined_Atom_Stereo_Count	0
3856780	Hydrogen_Bond_Acceptor_Count	6
22624677	Mono_Isotopic_Weight	179.094628657
12236733	Undefined_Atom_Stereo_Count	0
16158103	Structure_Complexity	3420
16134395	Defined_Atom_Stereo_Count	13
164668700	Rotatable_Bond_Count	3
454202	Rotatable_Bond_Count	7
136470	TPSA	0
8562	Isotope_Atom_Count	0
27655	Undefined_Atom_Stereo_Count	1
15853020	XLogP3-AA	0.3
445461	Hydrogen_Bond_Donor_Count	9
29761	Rotatable_Bond_Count	11
92668	Undefined_Atom_Stereo_Count	0
121734	Hydrogen_Bond_Acceptor_Count	3
129673373	Undefined_Bond_Stereo_Count	0
46830489	Exact_Mass	330.18444672
15982150	Isotope_Atom_Count	0
94355	Non-hydrogen_Atom_Count	8
103439594	Undefined_Atom_Stereo_Count	0
56995913	TPSA	49.8
55515	Hydrogen_Bond_Donor_Count	0
30196	Total_Formal_Charge	0
149096	Hydrogen_Bond_Acceptor_Count	8
90449	Covalent_Unit_Count	2
1382059	Covalent_Unit_Count	1
135618542	Non-hydrogen_Atom_Count	41
6477971	XLogP3-AA	4.1
57398329	Hydrogen_Bond_Donor_Count	1
9030	Structure_Complexity	65.2
6419942	Tautomer_Count	1
2054	Isotope_Atom_Count	0
78225435	Rotatable_Bond_Count	5
99940264	TPSA	190
18185822	Hydrogen_Bond_Acceptor_Count	3
91231076	Isotope_Atom_Count	0
146018879	Non-hydrogen_Atom_Count	44
12275055	Defined_Atom_Stereo_Count	0
69049742	Undefined_Atom_Stereo_Count	2
24639	Total_Formal_Charge	0
64032	Covalent_Unit_Count	3
3037261	Hydrogen_Bond_Acceptor_Count	3
135582708	Covalent_Unit_Count	1
4623	Total_Formal_Charge	0
13299177	Hydrogen_Bond_Donor_Count	0
196987	Hydrogen_Bond_Acceptor_Count	2
705935	Undefined_Bond_Stereo_Count	0
11182	Undefined_Atom_Stereo_Count	0
533884	Mono_Isotopic_Weight	99.104799419
162990684	Isotope_Atom_Count	0
70945	TPSA	34.1
90658992	Mono_Isotopic_Weight	260.05352843
88890027	Total_Formal_Charge	0
271488	Hydrogen_Bond_Acceptor_Count	1
11462546	Non-hydrogen_Atom_Count	26
10414749	Undefined_Bond_Stereo_Count	0
66558601	Structure_Complexity	651
53667577	Molecular_Weight	113.16
572852	Hydrogen_Bond_Donor_Count	1
12231	Undefined_Bond_Stereo_Count	0
7663	Hydrogen_Bond_Acceptor_Count	2
637568	Rotatable_Bond_Count	4
139062656	Hydrogen_Bond_Donor_Count	18
564864	XLogP3	3.8
5802	Exact_Mass	189.93779
637776	Hydrogen_Bond_Donor_Count	0
480242	Exact_Mass	214.07020481
91067785	Non-hydrogen_Atom_Count	8
514	Molecular_Weight	483.3
25023836	Rotatable_Bond_Count	7
60835	XLogP3-AA	4.3
44560771	Mono_Isotopic_Weight	362.14126175
13520	Mono_Isotopic_Weight	210.0515378
348256	Rotatable_Bond_Count	1
2761	Covalent_Unit_Count	1
1766	Defined_Bond_Stereo_Count	0
104607	TPSA	44.4
74652199	Structure_Complexity	215
23282942	Exact_Mass	98.084398327
170249	Tautomer_Count	1
44330586	Mono_Isotopic_Weight	266.10150494
153655135	Hydrogen_Bond_Donor_Count	2
351795	Defined_Bond_Stereo_Count	0
35912	Defined_Bond_Stereo_Count	0
3341	TPSA	72.7
146199	Defined_Bond_Stereo_Count	0
98651	Rotatable_Bond_Count	3
656832	Covalent_Unit_Count	2
48783	Exact_Mass	210.10044231
131747	Undefined_Atom_Stereo_Count	0
110968	Structure_Complexity	52.5
91810695	Mono_Isotopic_Weight	976.3034938
74219	Hydrogen_Bond_Donor_Count	1
3032279	Defined_Atom_Stereo_Count	0
356063	Mono_Isotopic_Weight	130.062994177
267769	Structure_Complexity	426
54516038	Exact_Mass	117.078978594
22160	Total_Formal_Charge	0
7061	XLogP3	3.3
3349	Rotatable_Bond_Count	1
15031685	Exact_Mass	114.079312947
91236903	Covalent_Unit_Count	1
25143624	Tautomer_Count	10
6435507	Isotope_Atom_Count	0
22226235	Defined_Atom_Stereo_Count	0
24107	Isotope_Atom_Count	0
131885396	Molecular_Weight	309.38
68236666	Mono_Isotopic_Weight	100.100048391
69046	Hydrogen_Bond_Donor_Count	2
24883735	Mono_Isotopic_Weight	408.28757437
23677989	Molecular_Weight	751.8
24765256	Structure_Complexity	1550
562	Molecular_Weight	162.21
4744	Total_Formal_Charge	0
36457	Total_Formal_Charge	0
26929	Hydrogen_Bond_Donor_Count	1
53384918	Isotope_Atom_Count	0
44424639	Undefined_Atom_Stereo_Count	0
21519427	Non-hydrogen_Atom_Count	8
107921	Mono_Isotopic_Weight	218.105527694
119095542	Total_Formal_Charge	0
548185	Non-hydrogen_Atom_Count	8
5770	Covalent_Unit_Count	1
38627	Defined_Atom_Stereo_Count	0
21900379	Structure_Complexity	61.5
62670550	Defined_Atom_Stereo_Count	0
9793926	Mono_Isotopic_Weight	166.082333429
164333	Hydrogen_Bond_Donor_Count	1
85939688	Non-hydrogen_Atom_Count	18
151093	Defined_Atom_Stereo_Count	4
135474265	Defined_Bond_Stereo_Count	0
53693033	Hydrogen_Bond_Donor_Count	0
441401	Defined_Bond_Stereo_Count	0
18183696	Defined_Bond_Stereo_Count	0
542317	Molecular_Weight	132.16
19660	XLogP3-AA	1.2
3763607	Defined_Bond_Stereo_Count	0
6918248	Undefined_Atom_Stereo_Count	0
72666	Isotope_Atom_Count	0
84106834	TPSA	12
13791578	Structure_Complexity	84.2
4992033	Structure_Complexity	111
65823	Tautomer_Count	1
9906614	Exact_Mass	354.21949481
91668	Hydrogen_Bond_Donor_Count	0
85217	Non-hydrogen_Atom_Count	14
59277756	Mono_Isotopic_Weight	99.043261792
18459757	Defined_Atom_Stereo_Count	0
31508	Rotatable_Bond_Count	2
594557	Covalent_Unit_Count	1
23210737	Hydrogen_Bond_Acceptor_Count	3
57481197	Hydrogen_Bond_Donor_Count	1
94355	Defined_Atom_Stereo_Count	0
93074	Molecular_Weight	101.15
44412343	Covalent_Unit_Count	1
6827	XLogP3-AA	6
12488	Isotope_Atom_Count	0
9300	Undefined_Bond_Stereo_Count	0
72076	Hydrogen_Bond_Acceptor_Count	4
10171348	Undefined_Bond_Stereo_Count	0
1548986	Covalent_Unit_Count	1
10357919	Hydrogen_Bond_Acceptor_Count	6
12842606	Non-hydrogen_Atom_Count	7
76830	Mono_Isotopic_Weight	256.98298323
19734140	Undefined_Bond_Stereo_Count	0
23690927	Covalent_Unit_Count	2
15308711	TPSA	220
9797657	XLogP3	3.5
12223113	XLogP3-AA	2.8
96356	Defined_Atom_Stereo_Count	0
54583840	Total_Formal_Charge	0
1082	Hydrogen_Bond_Acceptor_Count	9
85989631	Molecular_Weight	94.15
536683	Total_Formal_Charge	0
31952	Covalent_Unit_Count	1
57322830	Molecular_Weight	116.11
3775	Hydrogen_Bond_Acceptor_Count	1
44755151	Exact_Mass	368.01339457
9264	Exact_Mass	137.96316371
636822	Molecular_Weight	208.25
5311311	Hydrogen_Bond_Donor_Count	16
5353760	Covalent_Unit_Count	1
66383	Rotatable_Bond_Count	12
102069	Defined_Bond_Stereo_Count	0
6971098	Hydrogen_Bond_Donor_Count	5
86	Rotatable_Bond_Count	1
24465	Mono_Isotopic_Weight	247.930592
25429	Tautomer_Count	3
99143	Undefined_Atom_Stereo_Count	0
16211214	Hydrogen_Bond_Acceptor_Count	17
98136	TPSA	12
5367564	Rotatable_Bond_Count	3
76619	Covalent_Unit_Count	1
24798	Hydrogen_Bond_Donor_Count	0
135472946	Undefined_Bond_Stereo_Count	0
53724680	Defined_Atom_Stereo_Count	0
143399	Total_Formal_Charge	0
535813	Covalent_Unit_Count	1
21953621	Total_Formal_Charge	0
51504	TPSA	68.9
20435	Defined_Atom_Stereo_Count	3
173799	Exact_Mass	464.24101810
556684	Structure_Complexity	136
91927769	Hydrogen_Bond_Acceptor_Count	4
9022	XLogP3-AA	2.1
68760	Non-hydrogen_Atom_Count	20
2933256	Exact_Mass	303.1389920
9797059	Molecular_Weight	318.30
44590447	Covalent_Unit_Count	1
317061	Exact_Mass	97.052763847
439456	Rotatable_Bond_Count	6
72373	Exact_Mass	234.02067859
75345	Defined_Atom_Stereo_Count	0
132677	Covalent_Unit_Count	1
54003766	Exact_Mass	93.057849228
10290812	Mono_Isotopic_Weight	129.98777838
24550	Mono_Isotopic_Weight	157.899009
637497	Hydrogen_Bond_Donor_Count	2
65667	XLogP3-AA	3.1
144946255	Rotatable_Bond_Count	1
91612119	Mono_Isotopic_Weight	114.068079557
53415109	Undefined_Bond_Stereo_Count	1
6035169	Rotatable_Bond_Count	2
154689	Exact_Mass	285.19534575
25188420	Undefined_Bond_Stereo_Count	0
22318	Defined_Atom_Stereo_Count	0
42095	Isotope_Atom_Count	0
14160348	Undefined_Atom_Stereo_Count	0
14022497	Mono_Isotopic_Weight	331.17183360
119096545	Hydrogen_Bond_Acceptor_Count	2
118984445	Isotope_Atom_Count	0
82736	Undefined_Bond_Stereo_Count	0
55285488	Undefined_Atom_Stereo_Count	0
10785	Molecular_Weight	114.14
77312	Hydrogen_Bond_Donor_Count	0
4747	Defined_Atom_Stereo_Count	0
6708733	Structure_Complexity	1050
21863274	Total_Formal_Charge	0
625469	Mono_Isotopic_Weight	421.036590
134717	Tautomer_Count	1
65575055	Defined_Bond_Stereo_Count	0
13710569	Molecular_Weight	80.13
2724564	Hydrogen_Bond_Acceptor_Count	2
132327702	Defined_Atom_Stereo_Count	0
97783	Defined_Bond_Stereo_Count	0
24181320	Molecular_Weight	343.27
38235	Structure_Complexity	221
285366	Hydrogen_Bond_Acceptor_Count	2
4285	TPSA	43.7
2484	TPSA	3.2
5281607	Structure_Complexity	384
5288670	Covalent_Unit_Count	1
135565589	Hydrogen_Bond_Acceptor_Count	13
101071970	Hydrogen_Bond_Acceptor_Count	0
41575	TPSA	66.4
451239	Undefined_Bond_Stereo_Count	0
25023855	Covalent_Unit_Count	1
3525005	Undefined_Atom_Stereo_Count	1
6539017	Total_Formal_Charge	0
605	Covalent_Unit_Count	1
4596191	Undefined_Atom_Stereo_Count	1
542317	Undefined_Atom_Stereo_Count	0
21523541	Mono_Isotopic_Weight	106.078250319
3025721	Hydrogen_Bond_Donor_Count	1
3461	Undefined_Atom_Stereo_Count	3
10772937	Isotope_Atom_Count	0
61930	Structure_Complexity	105
514067	TPSA	43.4
49866505	Total_Formal_Charge	0
5311308	Undefined_Bond_Stereo_Count	0
4169160	Undefined_Atom_Stereo_Count	1
54848	Defined_Bond_Stereo_Count	0
5282192	Hydrogen_Bond_Donor_Count	4
93055	Rotatable_Bond_Count	6
144381	Isotope_Atom_Count	0
10313457	Total_Formal_Charge	0
11554076	Total_Formal_Charge	0
45052197	Defined_Atom_Stereo_Count	0
235738	Hydrogen_Bond_Acceptor_Count	3
88396	Isotope_Atom_Count	0
98790	Molecular_Weight	232.10
28774	Undefined_Bond_Stereo_Count	0
53486702	Exact_Mass	388.03102
6603901	Defined_Atom_Stereo_Count	0
61056	XLogP3-AA	4.3
112230	Undefined_Atom_Stereo_Count	0
4497	XLogP3	3.1
688297	Mono_Isotopic_Weight	215.95344
24883860	Non-hydrogen_Atom_Count	156
3129049	Structure_Complexity	216
38035	Exact_Mass	255.961333
39874	Total_Formal_Charge	0
3118	Total_Formal_Charge	0
486543	Defined_Atom_Stereo_Count	0
44323204	Structure_Complexity	1520
67247971	TPSA	75.3
109014	Undefined_Bond_Stereo_Count	0
436543	Rotatable_Bond_Count	1
492976	XLogP3-AA	1.9
87355672	Structure_Complexity	93.8
53477781	Rotatable_Bond_Count	12
441244	Defined_Atom_Stereo_Count	0
15670683	Molecular_Weight	87.12
51380890	Molecular_Weight	275.73
47909	Molecular_Weight	350.87
20299950	Molecular_Weight	114.17
5319022	Mono_Isotopic_Weight	190.099379685
123871431	XLogP3-AA	2.6
63720	Defined_Bond_Stereo_Count	0
398700	Exact_Mass	560.03762
5533	XLogP3-AA	2.8
27661	Exact_Mass	191.04298701
57511216	Covalent_Unit_Count	1
23423	Defined_Atom_Stereo_Count	9
57713	Rotatable_Bond_Count	13
37642	TPSA	23.6
68066	Total_Formal_Charge	0
135425186	Rotatable_Bond_Count	2
7529	Isotope_Atom_Count	0
89738	Exact_Mass	102.042927438
306211	Non-hydrogen_Atom_Count	20
10019237	Rotatable_Bond_Count	8
105054	Structure_Complexity	0
68841	Exact_Mass	185.00892397
72207931	Defined_Bond_Stereo_Count	0
71451930	XLogP3-AA	4.3
138914	Non-hydrogen_Atom_Count	8
24825271	Hydrogen_Bond_Acceptor_Count	6
3971	Molecular_Weight	306.4
3034024	Non-hydrogen_Atom_Count	21
21932619	Molecular_Weight	277.25
82400	Hydrogen_Bond_Acceptor_Count	12
35076	Hydrogen_Bond_Donor_Count	3
23551594	Rotatable_Bond_Count	0
12264628	Exact_Mass	112.052429494
12400482	Exact_Mass	112.088815002
740525	Covalent_Unit_Count	1
49778730	Defined_Bond_Stereo_Count	0
6432115	Hydrogen_Bond_Donor_Count	0
544701	Molecular_Weight	100.16
10965866	Hydrogen_Bond_Donor_Count	0
77589	TPSA	57.5
68603	Exact_Mass	428.1997337
66704605	Exact_Mass	98.073164938
88532	Hydrogen_Bond_Acceptor_Count	13
18730066	XLogP3-AA	2.7
89364481	Mono_Isotopic_Weight	116.083729621
5365909	Defined_Atom_Stereo_Count	0
22020761	Rotatable_Bond_Count	2
46783812	Defined_Bond_Stereo_Count	0
24974448	Total_Formal_Charge	0
141814359	Total_Formal_Charge	0
1268142	Molecular_Weight	218.33
1235	Total_Formal_Charge	0
141959525	Hydrogen_Bond_Donor_Count	1
689784	Molecular_Weight	325.27
24848323	Non-hydrogen_Atom_Count	16
17787	Defined_Atom_Stereo_Count	0
689043	Total_Formal_Charge	0
6919173	Hydrogen_Bond_Donor_Count	3
92258	Defined_Bond_Stereo_Count	0
137843	Structure_Complexity	157
3033821	Hydrogen_Bond_Donor_Count	0
60155458	Isotope_Atom_Count	0
3001662	Non-hydrogen_Atom_Count	30
46926362	Exact_Mass	335.12454663
21537133	Mono_Isotopic_Weight	116.047344113
15208461	Undefined_Bond_Stereo_Count	0
54032194	Covalent_Unit_Count	1
4759	Undefined_Atom_Stereo_Count	4
67271	Undefined_Atom_Stereo_Count	0
23670359	Isotope_Atom_Count	0
91465979	Hydrogen_Bond_Acceptor_Count	3
42227	Mono_Isotopic_Weight	469.29405673
10024782	Total_Formal_Charge	0
255680	Molecular_Weight	191.18
2194	Tautomer_Count	1
13194811	Non-hydrogen_Atom_Count	25
102059894	Hydrogen_Bond_Donor_Count	3
5312804	Undefined_Atom_Stereo_Count	0
74859	Structure_Complexity	48
9715	Defined_Bond_Stereo_Count	0
550825	Isotope_Atom_Count	0
136703	Non-hydrogen_Atom_Count	8
93542	Hydrogen_Bond_Acceptor_Count	7
176864	Defined_Bond_Stereo_Count	0
9526	Hydrogen_Bond_Acceptor_Count	6
2734167	Defined_Bond_Stereo_Count	0
52946209	Structure_Complexity	374
73977860	Isotope_Atom_Count	0
82658	Exact_Mass	140.083729621
66813914	TPSA	95.5
24199313	Rotatable_Bond_Count	12
11933	Undefined_Bond_Stereo_Count	0
92146	Defined_Bond_Stereo_Count	0
8141	Hydrogen_Bond_Acceptor_Count	0
54078821	Hydrogen_Bond_Acceptor_Count	2
15681557	TPSA	106
20685	Defined_Bond_Stereo_Count	0
153939	Total_Formal_Charge	0
135400471	Mono_Isotopic_Weight	241.085126602
738033	Total_Formal_Charge	0
10510810	Undefined_Bond_Stereo_Count	0
11675388	Structure_Complexity	518
114840	Rotatable_Bond_Count	2
6677	Structure_Complexity	818
11040632	Hydrogen_Bond_Donor_Count	0
134914194	Covalent_Unit_Count	1
24822371	Exact_Mass	359.187455
134694664	Non-hydrogen_Atom_Count	30
123805	Exact_Mass	898.46610084
135438424	Exact_Mass	649.04104222
72187527	TPSA	101
16224	Tautomer_Count	1
699683	Defined_Bond_Stereo_Count	0
74183	Total_Formal_Charge	0
22502	Hydrogen_Bond_Donor_Count	4
11288	Hydrogen_Bond_Donor_Count	3
3966	Mono_Isotopic_Weight	234.209598838
163143	Non-hydrogen_Atom_Count	32
124463365	Undefined_Atom_Stereo_Count	0
190217	Hydrogen_Bond_Donor_Count	0
53248849	Structure_Complexity	335
11500273	Rotatable_Bond_Count	5
68629	Total_Formal_Charge	0
129865974	XLogP3-AA	10.1
118053313	Undefined_Atom_Stereo_Count	2
12874682	Defined_Bond_Stereo_Count	0
24901657	TPSA	134
4599	Isotope_Atom_Count	0
64945	Non-hydrogen_Atom_Count	33
44123300	Defined_Bond_Stereo_Count	0
56841897	Covalent_Unit_Count	1
48041	Mono_Isotopic_Weight	352.215078140
8842	Total_Formal_Charge	0
11674	Structure_Complexity	86.2
184819	Defined_Bond_Stereo_Count	0
68027290	Total_Formal_Charge	0
44410953	Structure_Complexity	617
18732	Exact_Mass	187.0530695
8991	Molecular_Weight	152.15
58126	Hydrogen_Bond_Donor_Count	1
85844257	XLogP3-AA	1.7
45791180	Defined_Atom_Stereo_Count	0
11285792	Hydrogen_Bond_Acceptor_Count	7
3590	Defined_Atom_Stereo_Count	0
14257662	Isotope_Atom_Count	0
37612	Rotatable_Bond_Count	3
441244	Mono_Isotopic_Weight	355.94971
62240	Hydrogen_Bond_Acceptor_Count	2
20378091	Isotope_Atom_Count	0
82418997	Isotope_Atom_Count	0
18006111	Molecular_Weight	103.12
52943923	Covalent_Unit_Count	1
6328174	Hydrogen_Bond_Donor_Count	3
75531	Non-hydrogen_Atom_Count	14
442070	Tautomer_Count	3
9988	Molecular_Weight	106.10
3208	Rotatable_Bond_Count	16
606817	TPSA	135
135445058	Tautomer_Count	13
2724048	Covalent_Unit_Count	2
71268957	Hydrogen_Bond_Acceptor_Count	6
10208	Undefined_Bond_Stereo_Count	0
48670	Undefined_Atom_Stereo_Count	0
11829391	Molecular_Weight	112.17
41043	Total_Formal_Charge	0
5360886	TPSA	62.1
13506	Molecular_Weight	604.5
27588	Structure_Complexity	189
141315890	Isotope_Atom_Count	0
158389	Rotatable_Bond_Count	0
54105649	Defined_Bond_Stereo_Count	0
16402	Hydrogen_Bond_Donor_Count	2
317	Rotatable_Bond_Count	18
535857	Mono_Isotopic_Weight	110.048012819
148195	Hydrogen_Bond_Donor_Count	1
10197954	TPSA	110
91456	Structure_Complexity	207
198707	Rotatable_Bond_Count	4
60196372	Rotatable_Bond_Count	0
11546350	Hydrogen_Bond_Acceptor_Count	4
103648	TPSA	17.1
10540046	Non-hydrogen_Atom_Count	19
71680844	TPSA	91.2
177120	Undefined_Bond_Stereo_Count	0
44556162	XLogP3-AA	6.2
98416	Defined_Bond_Stereo_Count	0
10255142	Undefined_Atom_Stereo_Count	0
86705695	Total_Formal_Charge	0
66057	Defined_Atom_Stereo_Count	0
21262	XLogP3	2.6
142901	TPSA	17.1
10438	Rotatable_Bond_Count	2
45116609	Undefined_Bond_Stereo_Count	0
21650900	Hydrogen_Bond_Donor_Count	0
4554	Mono_Isotopic_Weight	317.93445
14862984	XLogP3-AA	0.3
36209	Hydrogen_Bond_Acceptor_Count	0
55284589	Defined_Atom_Stereo_Count	0
3088	Hydrogen_Bond_Donor_Count	1
53001	Hydrogen_Bond_Donor_Count	1
4787	TPSA	64.5
69671	Total_Formal_Charge	0
73813	Molecular_Weight	110.20
12114682	Covalent_Unit_Count	3
24825270	Total_Formal_Charge	0
62965	XLogP3	2
24085	Isotope_Atom_Count	0
53952576	Structure_Complexity	78
243859	Isotope_Atom_Count	0
400769	TPSA	84.2
9548714	Undefined_Bond_Stereo_Count	0
88898	Defined_Bond_Stereo_Count	0
2899204	TPSA	53
716315	Mono_Isotopic_Weight	183.06955672
44560703	Hydrogen_Bond_Acceptor_Count	4
138579	Covalent_Unit_Count	1
32326	Undefined_Bond_Stereo_Count	0
31218	Structure_Complexity	370
143159723	XLogP3-AA	1
66330	Exact_Mass	178.062994177
86359	Molecular_Weight	320.0
75195	XLogP3-AA	6.4
54675785	Hydrogen_Bond_Donor_Count	6
445344	Hydrogen_Bond_Acceptor_Count	22
941	Molecular_Weight	336.21
736052	Covalent_Unit_Count	1
5779	Exact_Mass	150.05282342
6347538	Structure_Complexity	590
22753620	Undefined_Atom_Stereo_Count	0
14865900	Hydrogen_Bond_Acceptor_Count	2
123131999	Undefined_Atom_Stereo_Count	1
3973230	Exact_Mass	102.055503498
66456	Undefined_Atom_Stereo_Count	0
101001097	Hydrogen_Bond_Acceptor_Count	4
7487	Hydrogen_Bond_Donor_Count	0
3032396	Rotatable_Bond_Count	12
5068681	Hydrogen_Bond_Donor_Count	3
57784	Undefined_Bond_Stereo_Count	0
25457	Total_Formal_Charge	0
785	Hydrogen_Bond_Acceptor_Count	2
135398701	Defined_Bond_Stereo_Count	0
77137	Isotope_Atom_Count	0
735940	Non-hydrogen_Atom_Count	10
130271321	Non-hydrogen_Atom_Count	8
193214	Molecular_Weight	116.11
31423	Hydrogen_Bond_Donor_Count	0
53318410	Molecular_Weight	253.29
16063805	TPSA	35.5
23432895	Rotatable_Bond_Count	2
17912	Tautomer_Count	3
6994	Isotope_Atom_Count	0
80421	XLogP3-AA	0.6
44320150	Isotope_Atom_Count	0
524314	Non-hydrogen_Atom_Count	11
79323706	Covalent_Unit_Count	1
56846609	Non-hydrogen_Atom_Count	20
84976	TPSA	103
4436967	Molecular_Weight	390.32
534566	Covalent_Unit_Count	1
63996	Structure_Complexity	469
156323004	Defined_Atom_Stereo_Count	0
5361250	Hydrogen_Bond_Acceptor_Count	5
159278	Undefined_Bond_Stereo_Count	0
35912	Isotope_Atom_Count	0
27428	Rotatable_Bond_Count	1
6367	Total_Formal_Charge	0
505711	Defined_Bond_Stereo_Count	0
464036	Undefined_Atom_Stereo_Count	0
145454	Mono_Isotopic_Weight	215.09799996
12539494	Isotope_Atom_Count	0
5879967	Isotope_Atom_Count	0
4680	Tautomer_Count	5
4437318	Undefined_Atom_Stereo_Count	0
64017	TPSA	112
9843750	Rotatable_Bond_Count	5
13200	Exact_Mass	108.057514874
131853715	Mono_Isotopic_Weight	113.084063974
12895043	Hydrogen_Bond_Acceptor_Count	3
5282451	Defined_Atom_Stereo_Count	4
2778339	Hydrogen_Bond_Donor_Count	0
29681	Undefined_Bond_Stereo_Count	0
71679	TPSA	83.2
688015	Undefined_Bond_Stereo_Count	0
87485	Exact_Mass	200.03813935
161500	Covalent_Unit_Count	1
1276	Defined_Bond_Stereo_Count	0
61375	Molecular_Weight	156.22
4179	Structure_Complexity	1470
20526803	Hydrogen_Bond_Acceptor_Count	2
69488652	Hydrogen_Bond_Donor_Count	0
14036559	Molecular_Weight	440.7
8151	Exact_Mass	140.04081944
13012673	Hydrogen_Bond_Donor_Count	1
11159021	Molecular_Weight	383.6
42642648	Hydrogen_Bond_Acceptor_Count	8
119058385	Hydrogen_Bond_Donor_Count	3
58095446	Mono_Isotopic_Weight	99.104799419
158691271	Hydrogen_Bond_Acceptor_Count	3
11532527	Undefined_Bond_Stereo_Count	0
681950	Molecular_Weight	257.33
72786882	Structure_Complexity	395
83952	Hydrogen_Bond_Acceptor_Count	14
9843941	Mono_Isotopic_Weight	400.19982200
2912	Defined_Bond_Stereo_Count	0
57370084	Covalent_Unit_Count	1
261491	Undefined_Atom_Stereo_Count	0
237873	Defined_Atom_Stereo_Count	0
680036	Exact_Mass	332.17360725
12354987	Defined_Bond_Stereo_Count	0
4432	Non-hydrogen_Atom_Count	31
3893	Molecular_Weight	200.32
118704754	Non-hydrogen_Atom_Count	29
15214552	Isotope_Atom_Count	0
24864462	Undefined_Bond_Stereo_Count	0
92163	Mono_Isotopic_Weight	256.1342410
74685	Hydrogen_Bond_Acceptor_Count	2
91773	XLogP3	3.9
100933147	Total_Formal_Charge	0
14476155	Structure_Complexity	535
231360	Isotope_Atom_Count	0
439231	Undefined_Bond_Stereo_Count	0
70141017	Hydrogen_Bond_Acceptor_Count	1
9893	Covalent_Unit_Count	1
11744314	XLogP3-AA	2.8
71321	Mono_Isotopic_Weight	309.0767857
14338	Hydrogen_Bond_Donor_Count	0
10034577	Structure_Complexity	42.8
45085047	Molecular_Weight	114.10
44392111	Covalent_Unit_Count	1
289847	Total_Formal_Charge	0
86916	Tautomer_Count	1
68956	Defined_Atom_Stereo_Count	0
157684	XLogP3	4.9
25201948	Structure_Complexity	539
9727	Rotatable_Bond_Count	3
9871212	Rotatable_Bond_Count	12
60651	Hydrogen_Bond_Acceptor_Count	9
2800	Exact_Mass	405.1859422
135398515	Isotope_Atom_Count	0
5491612	Structure_Complexity	311
23567810	Structure_Complexity	111
2799	Defined_Bond_Stereo_Count	0
2758725	Structure_Complexity	87.1
70734	Non-hydrogen_Atom_Count	9
21117948	Hydrogen_Bond_Donor_Count	0
85026	Total_Formal_Charge	1
102090390	Isotope_Atom_Count	0
265375	Isotope_Atom_Count	0
692159	Defined_Atom_Stereo_Count	0
84682	Molecular_Weight	74.12
9795547	Non-hydrogen_Atom_Count	20
68553	Undefined_Bond_Stereo_Count	0
235905	Hydrogen_Bond_Donor_Count	1
31278	Undefined_Atom_Stereo_Count	0
16051918	Tautomer_Count	2
72741573	XLogP3-AA	0.8
15027981	Rotatable_Bond_Count	0
138372	Hydrogen_Bond_Acceptor_Count	2
68503	Covalent_Unit_Count	1
13037934	Isotope_Atom_Count	0
20665999	Undefined_Atom_Stereo_Count	0
23444	Hydrogen_Bond_Donor_Count	2
126969014	Non-hydrogen_Atom_Count	52
1361	Total_Formal_Charge	0
10702	Total_Formal_Charge	0
5283387	Exact_Mass	281.271864740
124427926	Covalent_Unit_Count	1
17691	Exact_Mass	96.057514874
3179255	Hydrogen_Bond_Acceptor_Count	4
55105	Defined_Atom_Stereo_Count	0
119097350	Hydrogen_Bond_Donor_Count	0
18177388	Undefined_Atom_Stereo_Count	1
21943184	Hydrogen_Bond_Acceptor_Count	3
2155128	Non-hydrogen_Atom_Count	31
76720	XLogP3-AA	0.7
5284527	Defined_Atom_Stereo_Count	3
4767	Structure_Complexity	512
11993	Rotatable_Bond_Count	0
439255	Hydrogen_Bond_Acceptor_Count	5
4870	Rotatable_Bond_Count	4
550642	XLogP3-AA	1.1
57164040	Molecular_Weight	645.7
23521592	Exact_Mass	106.053098200
91364344	Defined_Atom_Stereo_Count	0
34676237	Hydrogen_Bond_Donor_Count	1
46244454	Hydrogen_Bond_Donor_Count	1
90658468	TPSA	72.8
4205685	Total_Formal_Charge	0
25142312	Structure_Complexity	760
90473076	Hydrogen_Bond_Donor_Count	5
20426877	Isotope_Atom_Count	0
123485747	Rotatable_Bond_Count	2
15615	Total_Formal_Charge	0
524211	Mono_Isotopic_Weight	106.078250319
31952	Non-hydrogen_Atom_Count	12
5283321	Undefined_Bond_Stereo_Count	0
2804997	XLogP3-AA	5.5
78904	Defined_Atom_Stereo_Count	0
15993	Non-hydrogen_Atom_Count	30
9530	Undefined_Bond_Stereo_Count	0
285552	Defined_Bond_Stereo_Count	0
29025	TPSA	17.1
86054107	Hydrogen_Bond_Donor_Count	0
5254725	XLogP3-AA	1.9
3526	Rotatable_Bond_Count	18
459235	Hydrogen_Bond_Acceptor_Count	2
91414	XLogP3-AA	3
104806	Hydrogen_Bond_Acceptor_Count	4
1111	Hydrogen_Bond_Donor_Count	10
121267708	Covalent_Unit_Count	1
168963	Molecular_Weight	375.75
136490	Exact_Mass	96.057514874
3033053	Tautomer_Count	3
22947120	Defined_Bond_Stereo_Count	0
181511	TPSA	40.5
9002	Rotatable_Bond_Count	2
55287187	Undefined_Atom_Stereo_Count	0
23574312	Hydrogen_Bond_Acceptor_Count	1
46214236	Defined_Bond_Stereo_Count	0
54006055	Undefined_Atom_Stereo_Count	0
129075411	Undefined_Atom_Stereo_Count	0
184822	Tautomer_Count	2
2914	Molecular_Weight	416.9
724228	Total_Formal_Charge	0
9543050	TPSA	426
21438817	Exact_Mass	98.048012819
25142175	Hydrogen_Bond_Donor_Count	2
71391	Mono_Isotopic_Weight	260.05321734
70276605	Rotatable_Bond_Count	6
675	Hydrogen_Bond_Donor_Count	1
2529	Mono_Isotopic_Weight	476.1682861
65752	Exact_Mass	287.105862047
9830	Mono_Isotopic_Weight	223.0011760
20055397	Covalent_Unit_Count	1
23713879	Undefined_Atom_Stereo_Count	0
102503760	Exact_Mass	665.30474055
60663	Defined_Atom_Stereo_Count	2
134695341	Non-hydrogen_Atom_Count	55
16699	Structure_Complexity	150
524894	Molecular_Weight	90.12
21979976	Rotatable_Bond_Count	1
57078122	Defined_Bond_Stereo_Count	0
8035	Hydrogen_Bond_Acceptor_Count	2
74724	Rotatable_Bond_Count	2
5126	Rotatable_Bond_Count	1
8617	XLogP3	2.3
6918493	Molecular_Weight	378.4
3037131	Structure_Complexity	27.5
12620	Hydrogen_Bond_Donor_Count	1
73433	Hydrogen_Bond_Donor_Count	2
148557	Non-hydrogen_Atom_Count	8
21579051	Undefined_Bond_Stereo_Count	0
489	Hydrogen_Bond_Acceptor_Count	9
25144864	Covalent_Unit_Count	3
78579	Isotope_Atom_Count	0
642792	Hydrogen_Bond_Donor_Count	0
87300	Hydrogen_Bond_Acceptor_Count	2
5516	Defined_Atom_Stereo_Count	0
5271569	Covalent_Unit_Count	1
11314197	Isotope_Atom_Count	0
104123	Structure_Complexity	156
140535901	Undefined_Bond_Stereo_Count	0
64992139	Isotope_Atom_Count	0
28425	Covalent_Unit_Count	1
23668479	Exact_Mass	482.11162741
19954	Hydrogen_Bond_Acceptor_Count	4
4934	TPSA	35.5
72207931	Isotope_Atom_Count	0
12623293	Molecular_Weight	94.15
69262871	Covalent_Unit_Count	1
4471892	Covalent_Unit_Count	1
82441	Hydrogen_Bond_Acceptor_Count	12
441306	Molecular_Weight	475.6
21956312	Covalent_Unit_Count	1
4667	Hydrogen_Bond_Donor_Count	2
2762895	Exact_Mass	110.048012819
182645	Tautomer_Count	1
16249	Isotope_Atom_Count	0
11048	Hydrogen_Bond_Donor_Count	0
72145	Structure_Complexity	772
48889	Hydrogen_Bond_Donor_Count	0
20060494	Non-hydrogen_Atom_Count	7
6328144	Undefined_Bond_Stereo_Count	0
11181	Isotope_Atom_Count	0
77829	Total_Formal_Charge	0
13567	Non-hydrogen_Atom_Count	8
44560703	Defined_Atom_Stereo_Count	0
1356	TPSA	147
156035640	Covalent_Unit_Count	1
54561127	Structure_Complexity	117
15016080	TPSA	48.9
77442653	Rotatable_Bond_Count	0
3527720	Hydrogen_Bond_Donor_Count	3
5488186	Hydrogen_Bond_Acceptor_Count	4
67678949	Hydrogen_Bond_Donor_Count	0
204109	Defined_Bond_Stereo_Count	0
5964319	TPSA	76
24838350	Structure_Complexity	867
75320	Total_Formal_Charge	0
13487238	Defined_Atom_Stereo_Count	0
19067979	Undefined_Atom_Stereo_Count	0
2762864	Total_Formal_Charge	0
446912	Molecular_Weight	531.7
66620431	Structure_Complexity	246
34192	Undefined_Atom_Stereo_Count	0
27375	XLogP3	2.4
60196400	Mono_Isotopic_Weight	527.24539246
21691039	Molecular_Weight	101.10
13086	Covalent_Unit_Count	1
3082496	Non-hydrogen_Atom_Count	20
28107	Total_Formal_Charge	0
98471	Hydrogen_Bond_Acceptor_Count	2
1450	XLogP3	2.8
12047567	Undefined_Atom_Stereo_Count	0
10964453	Molecular_Weight	114.19
10675	Hydrogen_Bond_Donor_Count	1
11315	Undefined_Atom_Stereo_Count	0
51504	Exact_Mass	356.2230560
119096546	Hydrogen_Bond_Acceptor_Count	3
6994151	Hydrogen_Bond_Acceptor_Count	2
44409094	Structure_Complexity	519
1566	Isotope_Atom_Count	0
2998624	Isotope_Atom_Count	0
5497195	Hydrogen_Bond_Donor_Count	5
135398559	Non-hydrogen_Atom_Count	34
43424	Defined_Bond_Stereo_Count	0
22041940	Hydrogen_Bond_Donor_Count	2
39526	Isotope_Atom_Count	0
3127	XLogP3	2.4
168365	Non-hydrogen_Atom_Count	2
39836	Rotatable_Bond_Count	7
256539	Covalent_Unit_Count	1
177865	Rotatable_Bond_Count	4
33360	Hydrogen_Bond_Donor_Count	0
870718	Exact_Mass	250.09535693
441443	Total_Formal_Charge	0
23749	TPSA	140
16399351	Undefined_Atom_Stereo_Count	4
11164	Isotope_Atom_Count	0
25875	Non-hydrogen_Atom_Count	22
141738	Exact_Mass	96.093900383
145994872	Hydrogen_Bond_Donor_Count	2
2737358	Covalent_Unit_Count	1
74825	Mono_Isotopic_Weight	243.901449
3694570	Rotatable_Bond_Count	7
5368784	Mono_Isotopic_Weight	204.187800766
52038	Rotatable_Bond_Count	6
11840951	Hydrogen_Bond_Acceptor_Count	5
805985	Non-hydrogen_Atom_Count	23
638081	Structure_Complexity	121
13118	Tautomer_Count	3
20162	Total_Formal_Charge	0
5383	Structure_Complexity	241
6604122	Non-hydrogen_Atom_Count	27
3628	Tautomer_Count	1
24807614	Non-hydrogen_Atom_Count	53
14112079	Exact_Mass	101.047678466
22149470	Mono_Isotopic_Weight	100.100048391
18999	Covalent_Unit_Count	1
92319	TPSA	23.8
163050679	Exact_Mass	284.16237386
9190	Isotope_Atom_Count	0
17818	Isotope_Atom_Count	0
71357579	Isotope_Atom_Count	0
24883429	Defined_Bond_Stereo_Count	0
54710743	Total_Formal_Charge	1
18324177	Non-hydrogen_Atom_Count	7
18795108	Rotatable_Bond_Count	2
60196415	Hydrogen_Bond_Acceptor_Count	4
15004706	Undefined_Bond_Stereo_Count	0
4997	Structure_Complexity	340
2734225	Tautomer_Count	1
4722579	Undefined_Atom_Stereo_Count	0
135413504	XLogP3-AA	1.6
76852230	Hydrogen_Bond_Donor_Count	3
141583717	Molecular_Weight	587.9
23724817	Rotatable_Bond_Count	12
51397006	Non-hydrogen_Atom_Count	26
91482	Defined_Bond_Stereo_Count	0
212	Non-hydrogen_Atom_Count	24
5320128	Covalent_Unit_Count	1
10000989	Undefined_Atom_Stereo_Count	0
113	Exact_Mass	213.98785418
517321	Molecular_Weight	330.8
31953	Rotatable_Bond_Count	3
11612445	Undefined_Atom_Stereo_Count	1
13401998	TPSA	21.3
45116623	Total_Formal_Charge	0
56801	Exact_Mass	603.31960277
76224463	Rotatable_Bond_Count	1
25315	Undefined_Atom_Stereo_Count	1
445382	Undefined_Atom_Stereo_Count	0
114905	Exact_Mass	509.27371521
12226	Hydrogen_Bond_Acceptor_Count	1
61664	Hydrogen_Bond_Donor_Count	0
440277	Defined_Bond_Stereo_Count	0
87748	Undefined_Atom_Stereo_Count	0
58781694	Defined_Bond_Stereo_Count	0
72495	Structure_Complexity	976
668649	Undefined_Atom_Stereo_Count	0
1150567	Covalent_Unit_Count	1
68652936	Isotope_Atom_Count	0
54789	Tautomer_Count	1
171808	Total_Formal_Charge	0
12399560	Total_Formal_Charge	0
105039	Structure_Complexity	198
135413546	Mono_Isotopic_Weight	323.00179
4011971	Defined_Atom_Stereo_Count	0
6919055	Total_Formal_Charge	1
641660	Rotatable_Bond_Count	0
71365	Hydrogen_Bond_Donor_Count	2
16051495	Rotatable_Bond_Count	5
390658	Undefined_Bond_Stereo_Count	0
53346581	Defined_Atom_Stereo_Count	0
9909912	Structure_Complexity	108
30720	Undefined_Atom_Stereo_Count	0
39860873	Defined_Atom_Stereo_Count	0
135985126	Isotope_Atom_Count	0
399594	TPSA	54.3
200	Mono_Isotopic_Weight	338.06275045
71363036	Structure_Complexity	358
136153	Mono_Isotopic_Weight	68.062600255
9050	Structure_Complexity	652
22060156	Non-hydrogen_Atom_Count	12
542420	Tautomer_Count	1
8878	Total_Formal_Charge	0
66059	Hydrogen_Bond_Donor_Count	1
2898	Hydrogen_Bond_Acceptor_Count	4
74710	Undefined_Bond_Stereo_Count	0
140519105	Hydrogen_Bond_Acceptor_Count	2
11505	Hydrogen_Bond_Acceptor_Count	1
3123	Undefined_Atom_Stereo_Count	1
53967	Defined_Atom_Stereo_Count	0
9886	Structure_Complexity	62.7
1242943	Isotope_Atom_Count	0
102090452	TPSA	320
6433176	Undefined_Bond_Stereo_Count	0
28292	Isotope_Atom_Count	0
5361250	Undefined_Bond_Stereo_Count	0
11743862	Undefined_Bond_Stereo_Count	0
4096517	Hydrogen_Bond_Donor_Count	0
123769339	Molecular_Weight	100.16
12724622	TPSA	20.2
201990	Undefined_Bond_Stereo_Count	0
71759	TPSA	48.9
12750	Molecular_Weight	83.13
6433951	Undefined_Atom_Stereo_Count	0
25117126	Defined_Atom_Stereo_Count	0
117938207	Non-hydrogen_Atom_Count	12
21866502	Undefined_Bond_Stereo_Count	0
23635314	Undefined_Atom_Stereo_Count	0
12160	Undefined_Bond_Stereo_Count	0
16051921	Undefined_Bond_Stereo_Count	0
279506	Exact_Mass	104.047344113
155346	Isotope_Atom_Count	0
72121	Defined_Atom_Stereo_Count	0
55284379	Total_Formal_Charge	0
16130957	Covalent_Unit_Count	1
123935295	Defined_Bond_Stereo_Count	0
139367	Structure_Complexity	96
12231382	Undefined_Bond_Stereo_Count	0
6172	Structure_Complexity	489
4048	Rotatable_Bond_Count	3
101534	Hydrogen_Bond_Donor_Count	2
43146	Exact_Mass	251.131014166
134158431	Hydrogen_Bond_Donor_Count	0
260716	Hydrogen_Bond_Acceptor_Count	0
5284472	Molecular_Weight	332.9
25670	Structure_Complexity	206
8434	TPSA	46.5
5289394	Rotatable_Bond_Count	11
9848869	Total_Formal_Charge	0
23724963	Undefined_Atom_Stereo_Count	0
14825	Covalent_Unit_Count	3
9895194	Molecular_Weight	613.8
15131492	TPSA	79.7
114789	Hydrogen_Bond_Acceptor_Count	0
381525	Hydrogen_Bond_Donor_Count	2
71810	Total_Formal_Charge	1
410214	Structure_Complexity	443
13598032	Hydrogen_Bond_Donor_Count	0
135405908	TPSA	98.2
4249	Defined_Atom_Stereo_Count	0
71117	Hydrogen_Bond_Acceptor_Count	5
72187569	Covalent_Unit_Count	1
84141	Defined_Bond_Stereo_Count	0
135747268	Exact_Mass	172.0403406
3326	TPSA	26.8
85573191	Hydrogen_Bond_Acceptor_Count	2
12204059	Undefined_Atom_Stereo_Count	4
6880	XLogP3	1.9
33134	Isotope_Atom_Count	0
25010556	Defined_Bond_Stereo_Count	0
8501	Isotope_Atom_Count	0
27368	Non-hydrogen_Atom_Count	19
20839131	Non-hydrogen_Atom_Count	16
70696865	Non-hydrogen_Atom_Count	31
49836027	Undefined_Atom_Stereo_Count	0
10198719	Molecular_Weight	243.33
50925404	Structure_Complexity	685
71720685	Undefined_Bond_Stereo_Count	0
19665	Defined_Bond_Stereo_Count	0
68681	Isotope_Atom_Count	0
101304	Non-hydrogen_Atom_Count	18
5152	Mono_Isotopic_Weight	415.27225866
44556162	TPSA	126
4369491	Hydrogen_Bond_Acceptor_Count	3
89708952	Non-hydrogen_Atom_Count	8
659218	Defined_Bond_Stereo_Count	0
146461	Hydrogen_Bond_Donor_Count	1
9247	Isotope_Atom_Count	0
126505488	Isotope_Atom_Count	0
90258	Covalent_Unit_Count	1
146157955	TPSA	241
6452830	TPSA	20.2
95197	Hydrogen_Bond_Acceptor_Count	0
819109	XLogP3-AA	1.7
656635	Hydrogen_Bond_Donor_Count	4
43220	Structure_Complexity	1020
8289	Rotatable_Bond_Count	6
9810709	Undefined_Atom_Stereo_Count	0
101136808	Undefined_Bond_Stereo_Count	0
10798	Hydrogen_Bond_Acceptor_Count	1
44558536	Structure_Complexity	387
101707094	Molecular_Weight	66.10
6793	Undefined_Bond_Stereo_Count	0
5365794	Hydrogen_Bond_Donor_Count	0
69347719	TPSA	53
65359	Rotatable_Bond_Count	21
5790	Undefined_Bond_Stereo_Count	0
10141	XLogP3-AA	1.8
4231972	Non-hydrogen_Atom_Count	8
38464	Non-hydrogen_Atom_Count	16
53315110	TPSA	56.8
53954226	Mono_Isotopic_Weight	169.063997236
23554324	Exact_Mass	103.063328530
44393512	Exact_Mass	1201.84136802
66908	Molecular_Weight	171.28
12298579	Undefined_Atom_Stereo_Count	0
9571109	Undefined_Bond_Stereo_Count	0
735091	Undefined_Bond_Stereo_Count	0
447277	Non-hydrogen_Atom_Count	29
52943373	Undefined_Atom_Stereo_Count	0
54757474	Undefined_Bond_Stereo_Count	0
95456	Undefined_Bond_Stereo_Count	0
517030	Defined_Bond_Stereo_Count	0
6526	Defined_Atom_Stereo_Count	0
3915	Structure_Complexity	681
12259685	Non-hydrogen_Atom_Count	21
3048356	TPSA	23.5
5330213	Hydrogen_Bond_Donor_Count	1
65407	Hydrogen_Bond_Donor_Count	3
24856	Molecular_Weight	258.21
11412	Total_Formal_Charge	0
450268	Tautomer_Count	6
60196314	Defined_Bond_Stereo_Count	0
16212687	Defined_Bond_Stereo_Count	0
13299177	Exact_Mass	94.078250319
82711397	Exact_Mass	118.062994177
78377	Tautomer_Count	1
222697	Structure_Complexity	77.7
21482444	Defined_Bond_Stereo_Count	0
74328	Structure_Complexity	106
41508	Isotope_Atom_Count	0
8528	Molecular_Weight	335.4
88098	Defined_Bond_Stereo_Count	0
413536	Structure_Complexity	281
6438129	Rotatable_Bond_Count	7
19375004	TPSA	35.3
944	Undefined_Bond_Stereo_Count	0
25062766	Undefined_Atom_Stereo_Count	0
12976	Mono_Isotopic_Weight	118.03784206
121891	XLogP3-AA	3
11194305	TPSA	67.5
88866	Structure_Complexity	299
132302	Tautomer_Count	1
7059454	Rotatable_Bond_Count	5
13559474	Isotope_Atom_Count	0
4994	XLogP3-AA	1
12562	Structure_Complexity	274
451068	TPSA	57.7
53465848	TPSA	59.2
71124	Isotope_Atom_Count	0
21655019	Rotatable_Bond_Count	0
3081143	Hydrogen_Bond_Donor_Count	2
6994279	Molecular_Weight	106.12
135977933	Hydrogen_Bond_Acceptor_Count	0
68089	Molecular_Weight	291.3
12755803	Structure_Complexity	85.6
12431582	Undefined_Bond_Stereo_Count	0
5489410	Total_Formal_Charge	0
15347	Covalent_Unit_Count	1
90470403	Defined_Bond_Stereo_Count	0
22049997	Mono_Isotopic_Weight	476.05471
124202844	Exact_Mass	479.09438454
89723675	Covalent_Unit_Count	1
140328	Isotope_Atom_Count	0
10659	XLogP3-AA	2.7
12442892	Mono_Isotopic_Weight	534.22651085
7351	Hydrogen_Bond_Donor_Count	0
44392220	Hydrogen_Bond_Acceptor_Count	3
102426204	Rotatable_Bond_Count	6
22304	Rotatable_Bond_Count	11
21895380	Molecular_Weight	513.07
16221343	Hydrogen_Bond_Acceptor_Count	10
98813	Non-hydrogen_Atom_Count	35
9950891	Undefined_Bond_Stereo_Count	0
6043	Non-hydrogen_Atom_Count	10
6579	TPSA	43.1
9796154	Exact_Mass	294.19434270
3058751	Rotatable_Bond_Count	5
88598101	Covalent_Unit_Count	1
159832	Structure_Complexity	0
9813119	Undefined_Bond_Stereo_Count	0
135444779	Non-hydrogen_Atom_Count	32
2921148	Rotatable_Bond_Count	2
91016264	Structure_Complexity	173
23392960	Hydrogen_Bond_Donor_Count	1
5310957	Isotope_Atom_Count	0
22024915	Molecular_Weight	391.4
81056	Undefined_Bond_Stereo_Count	0
518900	Undefined_Atom_Stereo_Count	0
12868608	Molecular_Weight	66.10
8585	Defined_Bond_Stereo_Count	0
123134032	Structure_Complexity	953
11419598	Non-hydrogen_Atom_Count	31
134669	Defined_Bond_Stereo_Count	0
123114	Mono_Isotopic_Weight	70.041864811
13999819	Isotope_Atom_Count	0
29773	Undefined_Bond_Stereo_Count	1
71323	Tautomer_Count	2
53708930	Mono_Isotopic_Weight	101.047678466
18952630	Defined_Atom_Stereo_Count	0
124631517	Defined_Bond_Stereo_Count	0
2735001	Mono_Isotopic_Weight	172.07355886
86307	Hydrogen_Bond_Acceptor_Count	2
3853591	Mono_Isotopic_Weight	191.01917756
15092989	Hydrogen_Bond_Donor_Count	0
935707	Structure_Complexity	443
9549303	XLogP3-AA	4.5
7843	Total_Formal_Charge	0
122198135	Defined_Bond_Stereo_Count	0
9910975	Exact_Mass	436.9977429
62477	Covalent_Unit_Count	1
21792545	Hydrogen_Bond_Acceptor_Count	4
5281915	Hydrogen_Bond_Donor_Count	0
9860424	Structure_Complexity	378
82418997	Non-hydrogen_Atom_Count	8
9819610	Defined_Bond_Stereo_Count	0
61972	Isotope_Atom_Count	0
6434112	Molecular_Weight	416.6
68700720	Hydrogen_Bond_Acceptor_Count	3
5354487	Mono_Isotopic_Weight	85.052763847
69132	TPSA	26.3
447297	Structure_Complexity	477
8477	Undefined_Atom_Stereo_Count	0
240796	Rotatable_Bond_Count	1
11419335	Mono_Isotopic_Weight	441.20524173
55289602	Total_Formal_Charge	0
7459	Defined_Atom_Stereo_Count	0
11291932	Defined_Atom_Stereo_Count	0
96221	Hydrogen_Bond_Donor_Count	3
80009	TPSA	21.9
90754	Defined_Atom_Stereo_Count	0
91994885	Undefined_Bond_Stereo_Count	0
197060	Defined_Atom_Stereo_Count	4
24752885	Molecular_Weight	270.36
2051	Exact_Mass	315.0774544
52944532	Molecular_Weight	415.4
50932059	Hydrogen_Bond_Acceptor_Count	9
62441	Hydrogen_Bond_Donor_Count	4
13450501	TPSA	0
568334	Hydrogen_Bond_Acceptor_Count	2
73001175	Total_Formal_Charge	0
98493	Defined_Atom_Stereo_Count	0
5486204	Hydrogen_Bond_Donor_Count	0
6169	Undefined_Atom_Stereo_Count	0
53846435	Defined_Bond_Stereo_Count	0
4619	Undefined_Atom_Stereo_Count	0
274080	Non-hydrogen_Atom_Count	29
153627081	Exact_Mass	102.079312947
13698	Exact_Mass	193.089149355
12523672	Undefined_Atom_Stereo_Count	2
87074	Hydrogen_Bond_Donor_Count	1
5312122	XLogP3-AA	4.5
82891	Undefined_Atom_Stereo_Count	0
11696668	Defined_Bond_Stereo_Count	0
85531465	Mono_Isotopic_Weight	86.036779430
105426944	Defined_Bond_Stereo_Count	0
639102	Isotope_Atom_Count	0
68432538	Undefined_Bond_Stereo_Count	1
444234	Defined_Bond_Stereo_Count	0
3220	Molecular_Weight	270.24
72758138	Molecular_Weight	437.5
276561	Isotope_Atom_Count	0
123783729	Isotope_Atom_Count	0
64727	XLogP3	3.5
175586	Hydrogen_Bond_Acceptor_Count	10
62779	Isotope_Atom_Count	0
37142	Non-hydrogen_Atom_Count	20
80399	Mono_Isotopic_Weight	714.15396894
49288	Undefined_Atom_Stereo_Count	1
3081078	Undefined_Bond_Stereo_Count	0
572516	Defined_Atom_Stereo_Count	0
24434	Molecular_Weight	101.103
182484	Tautomer_Count	1
60196431	Total_Formal_Charge	0
53850714	Hydrogen_Bond_Acceptor_Count	1
46235922	TPSA	98.1
67643801	Defined_Bond_Stereo_Count	0
72941505	Tautomer_Count	1
20309174	Total_Formal_Charge	0
8205	Rotatable_Bond_Count	12
76860	Undefined_Bond_Stereo_Count	0
85904477	Isotope_Atom_Count	0
5516	XLogP3-AA	7.2
5313082	Rotatable_Bond_Count	36
91558991	Mono_Isotopic_Weight	110.109550447
9888484	Hydrogen_Bond_Donor_Count	1
13734170	Defined_Bond_Stereo_Count	0
68876	Defined_Atom_Stereo_Count	0
11048104	Structure_Complexity	467
88051007	Defined_Bond_Stereo_Count	0
19829701	Defined_Bond_Stereo_Count	0
19	Molecular_Weight	154.12
9823	Undefined_Bond_Stereo_Count	0
15008	Molecular_Weight	196.20
15920952	XLogP3-AA	1
44571147	Structure_Complexity	605
133119158	Undefined_Atom_Stereo_Count	0
73114967	Exact_Mass	114.068079557
11088	Defined_Atom_Stereo_Count	0
3301	Hydrogen_Bond_Donor_Count	2
18683510	Isotope_Atom_Count	0
87140770	Total_Formal_Charge	0
11467403	TPSA	64.2
69215	Undefined_Bond_Stereo_Count	0
44135711	Isotope_Atom_Count	0
38881	Defined_Atom_Stereo_Count	0
39176	Exact_Mass	114.104465066
537329	Undefined_Atom_Stereo_Count	1
5924208	Exact_Mass	520.79460
11693901	Exact_Mass	114.031694049
51941	Exact_Mass	117.102788042
19077508	Total_Formal_Charge	0
55560	Molecular_Weight	554.7
168924	Isotope_Atom_Count	0
53323075	Structure_Complexity	838
143075695	Isotope_Atom_Count	0
123504	TPSA	37.3
282529	Rotatable_Bond_Count	0
14810122	Structure_Complexity	109
33558	Undefined_Bond_Stereo_Count	0
121750	Structure_Complexity	503
9854489	Undefined_Bond_Stereo_Count	0
18616052	Hydrogen_Bond_Donor_Count	2
441261	Structure_Complexity	615
65923	Structure_Complexity	765
694	Exact_Mass	122.048012819
71624686	Mono_Isotopic_Weight	386.0968101
13745	Total_Formal_Charge	0
147873	Non-hydrogen_Atom_Count	18
133109198	Covalent_Unit_Count	1
16654936	Exact_Mass	542.1853503
50888	Undefined_Atom_Stereo_Count	1
145709612	Defined_Bond_Stereo_Count	0
135433604	Isotope_Atom_Count	0
12005	Defined_Atom_Stereo_Count	0
512289	Undefined_Bond_Stereo_Count	0
76206	Molecular_Weight	134.56
447001	Hydrogen_Bond_Donor_Count	4
754780	Defined_Atom_Stereo_Count	0
27979	XLogP3-AA	1.4
543565	XLogP3-AA	0.6
59050045	Total_Formal_Charge	0
137427383	Undefined_Bond_Stereo_Count	0
583941	Rotatable_Bond_Count	2
2995	Isotope_Atom_Count	0
142123799	Defined_Bond_Stereo_Count	0
6335	Undefined_Bond_Stereo_Count	0
123963	Hydrogen_Bond_Acceptor_Count	3
8667	Non-hydrogen_Atom_Count	19
31923	Exact_Mass	341.283098129
11136668	Covalent_Unit_Count	1
11443	Non-hydrogen_Atom_Count	13
15926139	XLogP3-AA	1.1
442	TPSA	182
16490	Isotope_Atom_Count	0
129848667	Total_Formal_Charge	0
31216	Total_Formal_Charge	0
866400	Exact_Mass	312.10225383
13751	Undefined_Bond_Stereo_Count	0
2471	TPSA	127
6427770	Defined_Bond_Stereo_Count	0
200103	Defined_Atom_Stereo_Count	0
285118	Tautomer_Count	1
11693896	Rotatable_Bond_Count	1
62705861	Undefined_Atom_Stereo_Count	0
10192563	Defined_Bond_Stereo_Count	0
56843898	Molecular_Weight	418.3
4005	Molecular_Weight	529.7
101587	Total_Formal_Charge	0
88191	Total_Formal_Charge	0
13526	Exact_Mass	230.02002368
15174589	Defined_Bond_Stereo_Count	0
54492709	Defined_Atom_Stereo_Count	0
5373773	Hydrogen_Bond_Donor_Count	0
11228763	Hydrogen_Bond_Acceptor_Count	1
71296943	Mono_Isotopic_Weight	391.23587315
6603693	Isotope_Atom_Count	0
7017816	Structure_Complexity	88.5
5636	Defined_Bond_Stereo_Count	0
6749	Total_Formal_Charge	0
154561905	Hydrogen_Bond_Acceptor_Count	1
19738210	Defined_Atom_Stereo_Count	0
15816	Isotope_Atom_Count	0
84759	Non-hydrogen_Atom_Count	11
5252324	Structure_Complexity	421
13033202	TPSA	52
14238	Defined_Atom_Stereo_Count	0
67210	Mono_Isotopic_Weight	298.02258592
4473	Exact_Mass	480.21346069
22132384	Covalent_Unit_Count	1
688311	Undefined_Bond_Stereo_Count	1
25007063	Non-hydrogen_Atom_Count	31
13138	Exact_Mass	218.179952478
24755482	Rotatable_Bond_Count	12
9832136	Mono_Isotopic_Weight	777.410634
295764	Isotope_Atom_Count	0
11431912	Hydrogen_Bond_Donor_Count	2
6327657	Structure_Complexity	207
10401972	Undefined_Atom_Stereo_Count	0
26130	TPSA	62.8
5480	Rotatable_Bond_Count	5
11306	Defined_Atom_Stereo_Count	0
24437	Structure_Complexity	18.8
130802	Total_Formal_Charge	0
68195	Hydrogen_Bond_Donor_Count	2
22737404	Rotatable_Bond_Count	6
840260	Defined_Bond_Stereo_Count	0
6921840	Non-hydrogen_Atom_Count	12
2734664	Molecular_Weight	140.25
81358402	Non-hydrogen_Atom_Count	8
67944215	Exact_Mass	180.06338810
5719	Covalent_Unit_Count	1
6440938	Hydrogen_Bond_Donor_Count	1
145562	Total_Formal_Charge	0
41912	Hydrogen_Bond_Donor_Count	1
22037858	Non-hydrogen_Atom_Count	6
1078	Exact_Mass	355.15523479
59035	Undefined_Atom_Stereo_Count	0
6595	Defined_Atom_Stereo_Count	0
14151226	Defined_Bond_Stereo_Count	0
291529	Non-hydrogen_Atom_Count	17
67462100	Covalent_Unit_Count	1
725300	TPSA	98.8
13015037	Exact_Mass	250.05244675
93542	Rotatable_Bond_Count	5
354578	Covalent_Unit_Count	1
16750600	Structure_Complexity	135
330654	Isotope_Atom_Count	0
70413	Defined_Bond_Stereo_Count	0
28639	Defined_Bond_Stereo_Count	0
9002	Hydrogen_Bond_Donor_Count	4
25130088	Undefined_Atom_Stereo_Count	0
10261065	Rotatable_Bond_Count	0
2782	Hydrogen_Bond_Donor_Count	0
136649217	Exact_Mass	690.11624602
167724	Covalent_Unit_Count	1
11535	Exact_Mass	54.0469501914
12313776	Undefined_Bond_Stereo_Count	0
15526206	Undefined_Atom_Stereo_Count	0
57061642	Rotatable_Bond_Count	2
53946395	Defined_Atom_Stereo_Count	0
440175	Total_Formal_Charge	0
66093	Rotatable_Bond_Count	4
23649245	Undefined_Atom_Stereo_Count	0
12642447	Total_Formal_Charge	0
736188	Non-hydrogen_Atom_Count	20
5287620	Structure_Complexity	388
72187524	Covalent_Unit_Count	3
58137106	XLogP3-AA	1.3
91802613	Covalent_Unit_Count	1
17920260	Molecular_Weight	112.17
8627	Exact_Mass	804.04570957
163050684	TPSA	57.2
86790	Rotatable_Bond_Count	2
103439991	Non-hydrogen_Atom_Count	7
178024	Hydrogen_Bond_Acceptor_Count	7
91984	Molecular_Weight	191.31
10498206	Mono_Isotopic_Weight	352.215078140
5904	Molecular_Weight	334.4
21306607	Total_Formal_Charge	0
70693584	Isotope_Atom_Count	0
228005	Undefined_Atom_Stereo_Count	0
136081	Tautomer_Count	1
12838	XLogP3-AA	0.8
8363	Hydrogen_Bond_Acceptor_Count	3
16760	TPSA	50.7
44205240	Defined_Bond_Stereo_Count	0
8442	Mono_Isotopic_Weight	324.17591592
2723755	Hydrogen_Bond_Donor_Count	0
2444	Hydrogen_Bond_Acceptor_Count	2
69242	Undefined_Bond_Stereo_Count	0
61953	Covalent_Unit_Count	1
3946663	Defined_Atom_Stereo_Count	0
53248849	Exact_Mass	300.16379146
4198	Rotatable_Bond_Count	1
7647	Mono_Isotopic_Weight	182.109550447
3061720	Total_Formal_Charge	0
5577	TPSA	69.3
197839	Defined_Atom_Stereo_Count	0
17963183	Total_Formal_Charge	0
36572	Hydrogen_Bond_Acceptor_Count	4
196989	Undefined_Bond_Stereo_Count	0
456389	Undefined_Atom_Stereo_Count	1
18422690	Defined_Atom_Stereo_Count	0
8468	Total_Formal_Charge	0
5353370	Defined_Atom_Stereo_Count	0
4167	Hydrogen_Bond_Acceptor_Count	2
13754	Tautomer_Count	3
13379	Total_Formal_Charge	0
7121	Molecular_Weight	182.17
66597	Undefined_Atom_Stereo_Count	0
66559276	Undefined_Bond_Stereo_Count	0
7065	TPSA	9.7
76092	TPSA	63.3
107656	Exact_Mass	592.3059301
6518103	Undefined_Bond_Stereo_Count	0
44407737	Hydrogen_Bond_Donor_Count	1
6296	Defined_Atom_Stereo_Count	0
24812	Isotope_Atom_Count	0
139055434	Defined_Bond_Stereo_Count	0
25023856	Covalent_Unit_Count	1
50587	Rotatable_Bond_Count	22
519793	Undefined_Atom_Stereo_Count	0
123257569	Mono_Isotopic_Weight	110.109550447
56973549	Defined_Atom_Stereo_Count	0
9446	Structure_Complexity	374
77687	Covalent_Unit_Count	1
86380	Defined_Atom_Stereo_Count	0
12476693	XLogP3-AA	0
291	Molecular_Weight	489.33
70685868	Defined_Bond_Stereo_Count	0
67505	Undefined_Bond_Stereo_Count	0
3303	Exact_Mass	313.16779360
21158560	Undefined_Atom_Stereo_Count	0
16016	Defined_Bond_Stereo_Count	0
24437	Defined_Atom_Stereo_Count	0
137017	Total_Formal_Charge	0
18622368	Exact_Mass	113.058911855
8461	Hydrogen_Bond_Donor_Count	0
10975405	Molecular_Weight	85.10
91323352	Exact_Mass	453.04129018
66577038	Rotatable_Bond_Count	9
1800	Hydrogen_Bond_Donor_Count	3
524217	Hydrogen_Bond_Acceptor_Count	1
3796	Molecular_Weight	455.10
23029	Mono_Isotopic_Weight	217.94979
74956	Non-hydrogen_Atom_Count	7
13401998	Mono_Isotopic_Weight	99.068413911
9865929	Isotope_Atom_Count	0
57401195	Non-hydrogen_Atom_Count	30
12302681	Undefined_Atom_Stereo_Count	1
8761	Structure_Complexity	111
17963196	Exact_Mass	541.1204976
517030	Isotope_Atom_Count	0
39106	Defined_Bond_Stereo_Count	0
83872174	TPSA	53.2
14077	Defined_Bond_Stereo_Count	0
56949327	Undefined_Bond_Stereo_Count	0
229932	Undefined_Atom_Stereo_Count	0
3146673	Defined_Atom_Stereo_Count	0
10946	Undefined_Atom_Stereo_Count	0
70048	Non-hydrogen_Atom_Count	19
182951	TPSA	62.6
98723	Defined_Atom_Stereo_Count	0
15553	Exact_Mass	190.9540837
135409474	Structure_Complexity	578
2485	Exact_Mass	555.27517176
6435335	Hydrogen_Bond_Donor_Count	5
11225217	Total_Formal_Charge	0
631468	Undefined_Atom_Stereo_Count	0
89578867	Defined_Atom_Stereo_Count	2
5324168	Rotatable_Bond_Count	2
68296308	TPSA	64.7
3034424	Exact_Mass	196.146329876
99010	XLogP3-AA	2.5
81432	Undefined_Atom_Stereo_Count	0
5281517	Exact_Mass	204.187800766
23673604	Non-hydrogen_Atom_Count	24
21718901	XLogP3-AA	0.8
4126	Undefined_Atom_Stereo_Count	4
137224318	Undefined_Atom_Stereo_Count	0
75771	Non-hydrogen_Atom_Count	10
90906739	Covalent_Unit_Count	1
5353843	Undefined_Bond_Stereo_Count	0
49798507	XLogP3-AA	1.2
398515	Covalent_Unit_Count	1
5377254	Total_Formal_Charge	0
165615710	Exact_Mass	112.088815002
63546	Covalent_Unit_Count	1
57160816	Defined_Bond_Stereo_Count	0
136305445	Hydrogen_Bond_Donor_Count	1
21180	Non-hydrogen_Atom_Count	16
6539020	Hydrogen_Bond_Donor_Count	1
2811261	Isotope_Atom_Count	0
752163	Rotatable_Bond_Count	7
133268492	Total_Formal_Charge	0
24561	Structure_Complexity	2
156580481	Covalent_Unit_Count	1
17827145	Non-hydrogen_Atom_Count	7
16051969	TPSA	526
24529	Defined_Bond_Stereo_Count	0
847429	Molecular_Weight	338.8
44339136	TPSA	150
4714967	Isotope_Atom_Count	0
22636846	Undefined_Bond_Stereo_Count	0
63950	Covalent_Unit_Count	1
146675212	Non-hydrogen_Atom_Count	82
9895264	Covalent_Unit_Count	1
2734117	Molecular_Weight	546.8
5388961	Structure_Complexity	638
154214	Hydrogen_Bond_Acceptor_Count	4
12303424	TPSA	58.6
132781234	TPSA	297
62525	Mono_Isotopic_Weight	431.0002508
16420	Non-hydrogen_Atom_Count	15
117072551	XLogP3-AA	4.4
68027	Covalent_Unit_Count	1
11363	Undefined_Atom_Stereo_Count	0
8900	Mono_Isotopic_Weight	100.125200510
78704	Undefined_Bond_Stereo_Count	0
6440792	Undefined_Atom_Stereo_Count	0
7190	Defined_Atom_Stereo_Count	0
616632	Isotope_Atom_Count	0
3826	Hydrogen_Bond_Donor_Count	1
13152	Non-hydrogen_Atom_Count	10
68303	Exact_Mass	231.92906
129009909	Mono_Isotopic_Weight	665.30474055
16133850	Structure_Complexity	9740
57825223	Covalent_Unit_Count	1
71587119	Non-hydrogen_Atom_Count	40
10337265	Covalent_Unit_Count	1
9795291	Rotatable_Bond_Count	4
72131	Defined_Atom_Stereo_Count	5
9802673	Hydrogen_Bond_Donor_Count	6
15551468	Mono_Isotopic_Weight	849.338408
60155097	Undefined_Bond_Stereo_Count	0
72378	Hydrogen_Bond_Acceptor_Count	5
91329391	Hydrogen_Bond_Acceptor_Count	1
13485108	Non-hydrogen_Atom_Count	8
181511	Hydrogen_Bond_Donor_Count	2
133124921	Covalent_Unit_Count	1
10930	Hydrogen_Bond_Donor_Count	1
91759534	Molecular_Weight	225.02
5329103	Molecular_Weight	414.9
5515	XLogP3-AA	0.5
74839	Hydrogen_Bond_Donor_Count	2
17910644	Rotatable_Bond_Count	0
91851108	Total_Formal_Charge	0
9815299	Undefined_Atom_Stereo_Count	0
67849	Undefined_Bond_Stereo_Count	0
147246033	TPSA	9.2
5352728	Total_Formal_Charge	0
219018	Hydrogen_Bond_Donor_Count	2
57992058	XLogP3-AA	3.9
11953947	Rotatable_Bond_Count	22
76955	Molecular_Weight	149.15
73333	Molecular_Weight	401.5
57750369	Defined_Atom_Stereo_Count	0
9909684	Undefined_Atom_Stereo_Count	0
5311211	Undefined_Bond_Stereo_Count	0
55342	Defined_Bond_Stereo_Count	0
20336979	Covalent_Unit_Count	1
9841854	Undefined_Atom_Stereo_Count	0
5459973	Non-hydrogen_Atom_Count	11
10548	XLogP3	1
81223	Rotatable_Bond_Count	2
57514685	Exact_Mass	684.01028135
156076150	Undefined_Bond_Stereo_Count	0
12807	Isotope_Atom_Count	0
2757748	Non-hydrogen_Atom_Count	12
6918546	Hydrogen_Bond_Acceptor_Count	12
10333641	Mono_Isotopic_Weight	275.93957
46204403	TPSA	54.4
72207931	Defined_Atom_Stereo_Count	0
83167	Undefined_Bond_Stereo_Count	0
444104	Rotatable_Bond_Count	10
657014	Non-hydrogen_Atom_Count	11
107926	Defined_Atom_Stereo_Count	1
2334	Undefined_Atom_Stereo_Count	0
32069	Undefined_Bond_Stereo_Count	0
25381	Rotatable_Bond_Count	3
6709	Undefined_Bond_Stereo_Count	0
66620431	Non-hydrogen_Atom_Count	19
5355457	Undefined_Atom_Stereo_Count	0
5228468	Structure_Complexity	85.3
54808	Covalent_Unit_Count	1
50983	Exact_Mass	401.042525
33653	Isotope_Atom_Count	0
146993530	Isotope_Atom_Count	0
4205037	Mono_Isotopic_Weight	293.17865558
101973938	Rotatable_Bond_Count	4
88398	XLogP3-AA	1.1
40187	Undefined_Atom_Stereo_Count	2
787717	TPSA	79.4
83904774	XLogP3-AA	0.2
190217	Non-hydrogen_Atom_Count	1
14986	Tautomer_Count	9
6764	TPSA	59.9
63409	Covalent_Unit_Count	1
135436515	Exact_Mass	444.97762691
21547072	XLogP3-AA	0.9
10932	TPSA	63.3
25195496	Total_Formal_Charge	0
145	Rotatable_Bond_Count	5
141850000	Hydrogen_Bond_Acceptor_Count	1
12659781	TPSA	12.5
12669677	Hydrogen_Bond_Donor_Count	0
77532	Undefined_Atom_Stereo_Count	0
53393558	Exact_Mass	220.182715385
23422065	XLogP3-AA	0.1
91229160	Molecular_Weight	111.10
21041053	Covalent_Unit_Count	1
3294	Exact_Mass	241.07389321
68030	Tautomer_Count	1
12888	Isotope_Atom_Count	0
5284476	Structure_Complexity	243
7667	Rotatable_Bond_Count	1
17001	Rotatable_Bond_Count	6
9827982	Structure_Complexity	398
85812	Undefined_Bond_Stereo_Count	0
10796718	Total_Formal_Charge	0
164164517	Exact_Mass	99.068413911
1769	Defined_Atom_Stereo_Count	0
571	Isotope_Atom_Count	0
674572	Defined_Bond_Stereo_Count	0
158334	Molecular_Weight	843.1
7649	TPSA	26.3
156024996	Rotatable_Bond_Count	111
28048	Hydrogen_Bond_Donor_Count	0
22086042	Total_Formal_Charge	0
123737063	Defined_Atom_Stereo_Count	0
2708	Hydrogen_Bond_Acceptor_Count	3
11093	Defined_Bond_Stereo_Count	0
185818	TPSA	123
9739	Undefined_Bond_Stereo_Count	0
152445	Rotatable_Bond_Count	1
24533	Structure_Complexity	2
194774	Defined_Atom_Stereo_Count	0
7312	Molecular_Weight	163.69
165870	Hydrogen_Bond_Acceptor_Count	3
5382	Tautomer_Count	1
371256	Rotatable_Bond_Count	3
543047	Mono_Isotopic_Weight	114.068079557
12136363	Molecular_Weight	115.13
3734	Tautomer_Count	15
363357	Mono_Isotopic_Weight	326.235813585
73619	Rotatable_Bond_Count	3
285033	Isotope_Atom_Count	0
87642220	Hydrogen_Bond_Donor_Count	8
134826704	Exact_Mass	1142.51450758
61660	Non-hydrogen_Atom_Count	10
55301151	Structure_Complexity	94.1
72390	Total_Formal_Charge	0
17787271	Structure_Complexity	135
10758	Tautomer_Count	1
18712663	Covalent_Unit_Count	1
2750	TPSA	80.7
774262	Mono_Isotopic_Weight	267.06439116
102678	Total_Formal_Charge	0
87310	Exact_Mass	177.04596439
139269842	Hydrogen_Bond_Acceptor_Count	3
97255	Hydrogen_Bond_Acceptor_Count	3
5281232	TPSA	74.6
543882	Hydrogen_Bond_Acceptor_Count	1
4336361	Undefined_Bond_Stereo_Count	0
52945794	Defined_Bond_Stereo_Count	0
136219151	Rotatable_Bond_Count	4
3849989	Hydrogen_Bond_Acceptor_Count	2
71309	Non-hydrogen_Atom_Count	34
57397970	Defined_Atom_Stereo_Count	1
82362	Mono_Isotopic_Weight	684.06850721
6994	Exact_Mass	122.073164938
136674	Total_Formal_Charge	0
86510	Undefined_Atom_Stereo_Count	1
68841	Tautomer_Count	1
13126	Rotatable_Bond_Count	5
6434217	Undefined_Atom_Stereo_Count	2
6337	Undefined_Atom_Stereo_Count	0
13672886	Defined_Atom_Stereo_Count	0
69452237	Structure_Complexity	503
7370	Mono_Isotopic_Weight	157.01974964
9271	Exact_Mass	411.771136
102131130	Covalent_Unit_Count	1
5284371	Hydrogen_Bond_Acceptor_Count	4
5281078	Non-hydrogen_Atom_Count	31
46936613	Rotatable_Bond_Count	8
50918929	Hydrogen_Bond_Donor_Count	0
69061828	Undefined_Atom_Stereo_Count	0
1561	Isotope_Atom_Count	0
484128	Total_Formal_Charge	0
264852	XLogP3-AA	5.4
67954811	Covalent_Unit_Count	1
5277135	Tautomer_Count	1
141248885	Hydrogen_Bond_Acceptor_Count	2
307977	Undefined_Bond_Stereo_Count	0
6129	Mono_Isotopic_Weight	201.078978594
249414	Rotatable_Bond_Count	2
151011	Covalent_Unit_Count	1
70233	Rotatable_Bond_Count	4
20057076	Undefined_Atom_Stereo_Count	0
4306436	Non-hydrogen_Atom_Count	22
10158453	Exact_Mass	409.0914706
46174070	Undefined_Bond_Stereo_Count	0
712441	Rotatable_Bond_Count	1
54158	Defined_Atom_Stereo_Count	0
406167	Defined_Atom_Stereo_Count	0
5902	Defined_Bond_Stereo_Count	0
10239769	Isotope_Atom_Count	0
83467	Hydrogen_Bond_Donor_Count	2
165993043	XLogP3-AA	1.4
234117	Total_Formal_Charge	0
22057915	XLogP3-AA	0.5
2309	Hydrogen_Bond_Acceptor_Count	5
10334852	Non-hydrogen_Atom_Count	20
139084136	Undefined_Atom_Stereo_Count	0
53674114	Undefined_Bond_Stereo_Count	0
18403043	Molecular_Weight	499.5
9928	Molecular_Weight	327.8
166918	Exact_Mass	264.910451
95402	Hydrogen_Bond_Acceptor_Count	2
7924	TPSA	35.5
21930930	Exact_Mass	108.032362755
117439	Exact_Mass	281.12632271
5378597	Non-hydrogen_Atom_Count	33
89197	Mono_Isotopic_Weight	111.068413911
1951	Undefined_Bond_Stereo_Count	0
7044038	Defined_Atom_Stereo_Count	5
4597	Defined_Bond_Stereo_Count	0
98559	Exact_Mass	282.18444672
65565	Tautomer_Count	45
24762165	Undefined_Atom_Stereo_Count	0
10111264	Exact_Mass	394.0832680
25253556	TPSA	79.9
155346	Molecular_Weight	287.36
7600	Non-hydrogen_Atom_Count	15
630227	Covalent_Unit_Count	1
12548640	Isotope_Atom_Count	0
143847825	Isotope_Atom_Count	0
12171	Undefined_Atom_Stereo_Count	0
90727	Defined_Atom_Stereo_Count	0
90931176	Molecular_Weight	96.17
13728409	Molecular_Weight	620.7
216324	Tautomer_Count	1
131741206	Undefined_Bond_Stereo_Count	0
446845	Hydrogen_Bond_Acceptor_Count	5
89621	Total_Formal_Charge	0
28788	Undefined_Atom_Stereo_Count	0
20209436	Non-hydrogen_Atom_Count	38
7405	Defined_Atom_Stereo_Count	1
118855925	Rotatable_Bond_Count	1
59281	Rotatable_Bond_Count	2
135456161	Undefined_Bond_Stereo_Count	0
2465	Tautomer_Count	1
22873	Rotatable_Bond_Count	10
755071	TPSA	41.9
94424	Defined_Atom_Stereo_Count	0
106	Hydrogen_Bond_Acceptor_Count	7
5363858	Undefined_Atom_Stereo_Count	1
62766	Covalent_Unit_Count	2
14381189	Defined_Bond_Stereo_Count	0
74431	Hydrogen_Bond_Acceptor_Count	2
139906410	Defined_Atom_Stereo_Count	0
16211214	Molecular_Weight	381.4
18506429	Covalent_Unit_Count	1
13487	Structure_Complexity	474
292	Undefined_Atom_Stereo_Count	9
9912771	Defined_Bond_Stereo_Count	0
14297260	Rotatable_Bond_Count	0
71397	Defined_Atom_Stereo_Count	0
58387740	Rotatable_Bond_Count	3
44480399	Exact_Mass	393.13247072
16688300	Undefined_Atom_Stereo_Count	0
11062345	Non-hydrogen_Atom_Count	8
674754	Exact_Mass	314.05725734
101684738	Hydrogen_Bond_Donor_Count	1
5966	Molecular_Weight	556.8
71254	XLogP3-AA	1.7
42884	Exact_Mass	370.1811912
11860544	Rotatable_Bond_Count	1
14796	TPSA	34.1
174048	TPSA	93.1
141445129	Defined_Bond_Stereo_Count	0
15516956	Total_Formal_Charge	0
130026605	Undefined_Bond_Stereo_Count	0
17771	Molecular_Weight	421.75
4106	Undefined_Bond_Stereo_Count	0
9841	Isotope_Atom_Count	0
13315542	Isotope_Atom_Count	0
6453603	Defined_Atom_Stereo_Count	0
591313	XLogP3	5.1
68254185	Isotope_Atom_Count	0
157921	Exact_Mass	181.0505709
3125	Molecular_Weight	195.21
6971097	Undefined_Atom_Stereo_Count	0
403016	Non-hydrogen_Atom_Count	32
52941509	Undefined_Bond_Stereo_Count	0
56679001	Hydrogen_Bond_Donor_Count	2
223407	Non-hydrogen_Atom_Count	21
12901	Hydrogen_Bond_Acceptor_Count	6
99027	Covalent_Unit_Count	1
721861	Defined_Atom_Stereo_Count	1
44483163	Covalent_Unit_Count	1
59453356	Molecular_Weight	111.10
53779803	Isotope_Atom_Count	0
68310	Isotope_Atom_Count	0
3455	Defined_Atom_Stereo_Count	0
24183437	Defined_Bond_Stereo_Count	0
987	Structure_Complexity	427
88268487	Hydrogen_Bond_Donor_Count	1
11007841	TPSA	25.8
5779	Molecular_Weight	150.13
20167	Covalent_Unit_Count	1
85653	Hydrogen_Bond_Donor_Count	0
140996483	Undefined_Atom_Stereo_Count	1
452126	TPSA	114
107751	Undefined_Bond_Stereo_Count	0
16950	Total_Formal_Charge	0
15908	Mono_Isotopic_Weight	155.142247555
5360516	Hydrogen_Bond_Acceptor_Count	5
135564558	Mono_Isotopic_Weight	395.20697307
137071	Tautomer_Count	2
91026652	Total_Formal_Charge	0
141343693	Total_Formal_Charge	0
37460	Defined_Atom_Stereo_Count	3
5213	Covalent_Unit_Count	1
13182523	Total_Formal_Charge	0
132939820	TPSA	110
5311101	Non-hydrogen_Atom_Count	30
30997	Exact_Mass	203.131014166
670359	Defined_Bond_Stereo_Count	0
23690449	Tautomer_Count	2
87367	Undefined_Atom_Stereo_Count	0
7077	TPSA	12.5
94378	Undefined_Bond_Stereo_Count	0
8365	Rotatable_Bond_Count	3
10378	Hydrogen_Bond_Donor_Count	2
2676	Defined_Atom_Stereo_Count	0
23665765	Structure_Complexity	256
6971003	Molecular_Weight	180.16
21935075	Defined_Bond_Stereo_Count	0
117188816	Mono_Isotopic_Weight	113.058911855
18075	Exact_Mass	210.079312947
15619838	Hydrogen_Bond_Acceptor_Count	2
67873	TPSA	0
53847404	Total_Formal_Charge	0
2728	Defined_Bond_Stereo_Count	0
637593	Hydrogen_Bond_Acceptor_Count	1
45085092	Structure_Complexity	97.8
6227	Total_Formal_Charge	0
465818	Mono_Isotopic_Weight	369.0801570
95559	Molecular_Weight	114.14
5591	Undefined_Atom_Stereo_Count	2
83884	Hydrogen_Bond_Acceptor_Count	9
21903	Undefined_Bond_Stereo_Count	0
91585	Molecular_Weight	244.25
143162854	Molecular_Weight	110.16
10953454	Isotope_Atom_Count	0
84106835	Rotatable_Bond_Count	0
5252324	TPSA	6.5
57357187	Hydrogen_Bond_Donor_Count	1
11485	Undefined_Atom_Stereo_Count	0
68094	Undefined_Bond_Stereo_Count	0
54704426	Exact_Mass	480.1299435
118574	Defined_Atom_Stereo_Count	0
3400822	Covalent_Unit_Count	1
68681268	Isotope_Atom_Count	0
15	Mono_Isotopic_Weight	290.224580195
66013	Mono_Isotopic_Weight	107.073499291
54210121	Covalent_Unit_Count	1
7048703	TPSA	97.2
7149	Covalent_Unit_Count	1
8657	Tautomer_Count	1
92942	Undefined_Bond_Stereo_Count	0
6999977	Undefined_Atom_Stereo_Count	0
1343	Rotatable_Bond_Count	2
88533	Tautomer_Count	1
66912	Rotatable_Bond_Count	6
10986185	Structure_Complexity	98.7
3086576	TPSA	64.6
101450	Molecular_Weight	196.12
133108869	TPSA	75.6
142482	Isotope_Atom_Count	0
15529	Covalent_Unit_Count	1
67374621	Exact_Mass	398.17427596
14027329	Non-hydrogen_Atom_Count	8
11007859	Undefined_Atom_Stereo_Count	0
8880	Defined_Bond_Stereo_Count	0
58854	Structure_Complexity	217
7928	Isotope_Atom_Count	0
155882889	Hydrogen_Bond_Donor_Count	0
10958189	Rotatable_Bond_Count	7
198212	Total_Formal_Charge	0
3140	Tautomer_Count	1
53317992	Covalent_Unit_Count	1
121392876	Covalent_Unit_Count	1
55011	Undefined_Bond_Stereo_Count	0
83063	Rotatable_Bond_Count	3
154169249	Undefined_Atom_Stereo_Count	2
94308	Undefined_Bond_Stereo_Count	0
15765924	Covalent_Unit_Count	1
146474222	Exact_Mass	114.068079557
20067321	TPSA	28.7
16682930	Mono_Isotopic_Weight	114.0989139
9885850	Hydrogen_Bond_Donor_Count	1
89138284	XLogP3-AA	1.8
42580060	Non-hydrogen_Atom_Count	23
89136345	Structure_Complexity	169
16693	Defined_Bond_Stereo_Count	0
10197660	Undefined_Atom_Stereo_Count	2
887824	Structure_Complexity	377
76687	Structure_Complexity	445
28566812	Defined_Bond_Stereo_Count	0
13751953	Mono_Isotopic_Weight	108.032362755
23479	Tautomer_Count	1
155903698	Covalent_Unit_Count	1
2819635	Undefined_Bond_Stereo_Count	0
521928	Molecular_Weight	330.5
447249	Rotatable_Bond_Count	7
6951563	Defined_Atom_Stereo_Count	0
10390836	Defined_Atom_Stereo_Count	0
19067957	Total_Formal_Charge	0
57402652	Undefined_Atom_Stereo_Count	0
36431	Molecular_Weight	422.0
18273	Rotatable_Bond_Count	1
5681	Molecular_Weight	340.9
67233953	Exact_Mass	403.10676552
117326	Exact_Mass	103.099714038
85979179	Hydrogen_Bond_Acceptor_Count	2
19761154	Total_Formal_Charge	0
5460044	Defined_Bond_Stereo_Count	0
9828138	Mono_Isotopic_Weight	522.27635824
6857537	Molecular_Weight	212.29
58488970	Exact_Mass	110.109550447
441350	Undefined_Bond_Stereo_Count	0
6413	Covalent_Unit_Count	1
2776282	TPSA	41.1
134693234	XLogP3	3.6
529268	Non-hydrogen_Atom_Count	8
13082553	TPSA	18.5
81530	Non-hydrogen_Atom_Count	9
60196273	Undefined_Bond_Stereo_Count	0
148708	Molecular_Weight	260.08
64033	Rotatable_Bond_Count	2
14794987	Undefined_Atom_Stereo_Count	0
11571906	Hydrogen_Bond_Donor_Count	5
17981364	TPSA	66.7
74904	Total_Formal_Charge	0
522662	Structure_Complexity	60.4
243575	Exact_Mass	119.058243149
21884945	Undefined_Bond_Stereo_Count	0
25245437	Covalent_Unit_Count	1
54584353	Exact_Mass	428.20597001
3792939	Rotatable_Bond_Count	0
2129427	Non-hydrogen_Atom_Count	23
12559	Hydrogen_Bond_Donor_Count	6
102135084	Isotope_Atom_Count	0
25015	Defined_Bond_Stereo_Count	0
15690	Structure_Complexity	110
57208108	Undefined_Atom_Stereo_Count	0
2779024	Defined_Bond_Stereo_Count	0
69521	XLogP3-AA	0.4
3078	Defined_Bond_Stereo_Count	0
23581796	XLogP3	2.7
90735699	Rotatable_Bond_Count	3
741	Hydrogen_Bond_Donor_Count	10
441140	XLogP3	2.2
30544	Rotatable_Bond_Count	1
137635	Tautomer_Count	3
22674	Covalent_Unit_Count	2
12184591	TPSA	94.8
5462222	Non-hydrogen_Atom_Count	1
165345	Defined_Atom_Stereo_Count	0
51358375	XLogP3-AA	4
86501	Non-hydrogen_Atom_Count	8
124069	Defined_Atom_Stereo_Count	0
529269	Covalent_Unit_Count	1
6921800	Total_Formal_Charge	1
10931378	Undefined_Atom_Stereo_Count	1
129396765	Undefined_Atom_Stereo_Count	0
445555	Isotope_Atom_Count	0
21157625	Undefined_Bond_Stereo_Count	0
9613	Isotope_Atom_Count	0
66487	Hydrogen_Bond_Acceptor_Count	5
90628	Exact_Mass	332.152604
3038	Structure_Complexity	452
563049	Total_Formal_Charge	0
21401558	Defined_Atom_Stereo_Count	0
11955855	Hydrogen_Bond_Acceptor_Count	6
4098	Rotatable_Bond_Count	6
28397	Non-hydrogen_Atom_Count	23
21660	Structure_Complexity	346
12803	Tautomer_Count	1
22728753	Covalent_Unit_Count	1
5282318	Hydrogen_Bond_Donor_Count	2
53682689	Molecular_Weight	98.14
35676	Structure_Complexity	203
19859	Tautomer_Count	3
71734	Covalent_Unit_Count	1
19039	Hydrogen_Bond_Acceptor_Count	18
101746	Defined_Atom_Stereo_Count	4
25132613	TPSA	77.9
5362115	Undefined_Bond_Stereo_Count	0
11840927	Exact_Mass	228.09324893
74736	Defined_Bond_Stereo_Count	0
60956	Defined_Bond_Stereo_Count	0
11589590	Undefined_Bond_Stereo_Count	0
9570639	Molecular_Weight	388.6
35407	Hydrogen_Bond_Acceptor_Count	2
17933153	Hydrogen_Bond_Acceptor_Count	4
10407120	Mono_Isotopic_Weight	375.15829154
737	Exact_Mass	339.99604987
88483174	Rotatable_Bond_Count	3
89364481	Undefined_Atom_Stereo_Count	3
111026	Undefined_Atom_Stereo_Count	1
198008	Undefined_Atom_Stereo_Count	0
46936405	Mono_Isotopic_Weight	316.07022733
86583	Undefined_Bond_Stereo_Count	0
12338093	Exact_Mass	214.04371528
16473	Exact_Mass	328.0648413
123147	Rotatable_Bond_Count	0
680036	Isotope_Atom_Count	0
27774	Covalent_Unit_Count	1
720471	XLogP3	0
4004	Molecular_Weight	330.4
1201549	Structure_Complexity	340
76398	Covalent_Unit_Count	1
76487	Undefined_Atom_Stereo_Count	0
96707	XLogP3	0
6439447	Mono_Isotopic_Weight	640.20885023
444493	Exact_Mass	809.12577494
7642	XLogP3-AA	8.5
17241	Undefined_Bond_Stereo_Count	0
70684298	Defined_Atom_Stereo_Count	0
71583269	TPSA	91.8
16217852	Non-hydrogen_Atom_Count	9
10887985	Exact_Mass	138.140850574
164006	Undefined_Atom_Stereo_Count	1
63088	TPSA	0
24818	Structure_Complexity	37.1
29921593	Undefined_Atom_Stereo_Count	0
135398729	Defined_Atom_Stereo_Count	0
26731	Hydrogen_Bond_Acceptor_Count	2
124012131	Defined_Bond_Stereo_Count	0
13974331	Exact_Mass	112.052429494
129712967	Defined_Bond_Stereo_Count	0
137997	XLogP3-AA	3.9
53326156	Defined_Bond_Stereo_Count	0
5284468	Mono_Isotopic_Weight	247.963896
76126	Hydrogen_Bond_Donor_Count	0
134688669	XLogP3-AA	4.5
168088	Structure_Complexity	442
83904778	Total_Formal_Charge	0
48040	Defined_Atom_Stereo_Count	0
138477	Defined_Bond_Stereo_Count	0
61633	Exact_Mass	126.068079557
57328385	Defined_Bond_Stereo_Count	0
694358	Non-hydrogen_Atom_Count	20
441073	Hydrogen_Bond_Acceptor_Count	4
5233032	Hydrogen_Bond_Acceptor_Count	0
79178156	TPSA	37.3
31312	Defined_Atom_Stereo_Count	7
5281888	Isotope_Atom_Count	0
12069	Non-hydrogen_Atom_Count	15
1549103	Covalent_Unit_Count	1
52946123	Undefined_Bond_Stereo_Count	0
51886	Mono_Isotopic_Weight	209.06880783
129009929	Structure_Complexity	415
87357201	Structure_Complexity	291
132420	Undefined_Bond_Stereo_Count	0
44571022	Defined_Atom_Stereo_Count	0
122706485	Undefined_Bond_Stereo_Count	0
135417349	Defined_Bond_Stereo_Count	2
688267	Tautomer_Count	1
21263577	Non-hydrogen_Atom_Count	7
639662	Structure_Complexity	44
57397461	Exact_Mass	409.0209280
91711338	Defined_Atom_Stereo_Count	6
71496458	Undefined_Bond_Stereo_Count	0
713378	Non-hydrogen_Atom_Count	18
21343371	Undefined_Bond_Stereo_Count	0
6908	Undefined_Atom_Stereo_Count	0
160051	Defined_Atom_Stereo_Count	0
643835	Hydrogen_Bond_Acceptor_Count	0
637563	Defined_Bond_Stereo_Count	1
4682	Exact_Mass	1401.73914735
131634493	Undefined_Bond_Stereo_Count	0
27024	Tautomer_Count	1
135408511	Tautomer_Count	16
54493962	XLogP3-AA	1.1
5284556	XLogP3-AA	1.5
520780	Exact_Mass	87.068413911
12786810	Total_Formal_Charge	0
265776	Molecular_Weight	109.13
6435156	Structure_Complexity	451
83433	Covalent_Unit_Count	1
166775	Hydrogen_Bond_Donor_Count	14
14412169	Molecular_Weight	96.13
6918141	Covalent_Unit_Count	1
12713	Defined_Atom_Stereo_Count	0
7041	Structure_Complexity	104
91693	Exact_Mass	283.0643029
216265	Rotatable_Bond_Count	10
226147	Non-hydrogen_Atom_Count	18
67376285	Rotatable_Bond_Count	5
164072	Isotope_Atom_Count	0
96517	Tautomer_Count	5
22833454	TPSA	26
12004418	Hydrogen_Bond_Acceptor_Count	2
40030	Undefined_Atom_Stereo_Count	0
23581869	Total_Formal_Charge	0
64302	Structure_Complexity	1100
123254	Undefined_Atom_Stereo_Count	0
133662561	Molecular_Weight	182.14
72187	Tautomer_Count	3
7358	TPSA	20.2
6696	Molecular_Weight	309.16
91419129	Covalent_Unit_Count	1
11274968	TPSA	17.1
551592	Hydrogen_Bond_Donor_Count	0
15008962	Tautomer_Count	1
60785	Tautomer_Count	1
5460822	Covalent_Unit_Count	1
55297293	Non-hydrogen_Atom_Count	7
4904	Non-hydrogen_Atom_Count	22
26089	Hydrogen_Bond_Acceptor_Count	4
33137	Undefined_Atom_Stereo_Count	0
83596	Hydrogen_Bond_Acceptor_Count	3
11051814	Hydrogen_Bond_Donor_Count	0
22015942	Rotatable_Bond_Count	3
70916	Exact_Mass	226.12050905
60196410	Non-hydrogen_Atom_Count	41
118990144	XLogP3-AA	0.4
5212856	Non-hydrogen_Atom_Count	20
14266	Covalent_Unit_Count	1
56845949	Non-hydrogen_Atom_Count	6
5283740	Covalent_Unit_Count	1
1517	Total_Formal_Charge	0
21843641	Undefined_Bond_Stereo_Count	0
10131269	Mono_Isotopic_Weight	254.0345865
18747	Tautomer_Count	2
41463	Molecular_Weight	378.9
5730	Hydrogen_Bond_Donor_Count	3
9985199	Hydrogen_Bond_Donor_Count	3
136045807	Mono_Isotopic_Weight	501.16483347
23688957	Rotatable_Bond_Count	1
6324	XLogP3-AA	1.3
61249	Total_Formal_Charge	0
19143	Rotatable_Bond_Count	2
5282321	Non-hydrogen_Atom_Count	42
19499	Exact_Mass	86.036779430
12360	Covalent_Unit_Count	1
688570	XLogP3-AA	2.3
145707274	Undefined_Bond_Stereo_Count	0
11263492	Defined_Bond_Stereo_Count	0
3035668	TPSA	81.4
7566942	Defined_Atom_Stereo_Count	10
7524	Total_Formal_Charge	0
57057991	Covalent_Unit_Count	1
638079	Exact_Mass	110.109550447
67628	Hydrogen_Bond_Donor_Count	0
1141	Tautomer_Count	1
1470	TPSA	87
6360	Structure_Complexity	4.8
20297542	Non-hydrogen_Atom_Count	8
33886	Isotope_Atom_Count	0
537148	Hydrogen_Bond_Donor_Count	0
62425	Undefined_Atom_Stereo_Count	0
11347535	Hydrogen_Bond_Donor_Count	2
3724921	Rotatable_Bond_Count	3
14107712	Non-hydrogen_Atom_Count	20
55305	Tautomer_Count	1
13641	Hydrogen_Bond_Acceptor_Count	4
10337564	Molecular_Weight	344.4
24090	Undefined_Atom_Stereo_Count	1
49808	Undefined_Atom_Stereo_Count	4
71778	Covalent_Unit_Count	1
449331	Rotatable_Bond_Count	31
63825	Non-hydrogen_Atom_Count	24
60028369	Mono_Isotopic_Weight	153.151749610
80220	Exact_Mass	166.04907545
52148	Undefined_Atom_Stereo_Count	0
16990	Mono_Isotopic_Weight	214.886310
123413	Structure_Complexity	66.8
734	Rotatable_Bond_Count	8
2761815	Hydrogen_Bond_Donor_Count	2
32429	Isotope_Atom_Count	0
13820629	Total_Formal_Charge	0
13257	Total_Formal_Charge	0
5359	Undefined_Bond_Stereo_Count	0
1242	Structure_Complexity	291
91778	Structure_Complexity	448
12729	Hydrogen_Bond_Acceptor_Count	2
252499	TPSA	38.7
20561716	Molecular_Weight	97.08
14839575	Undefined_Atom_Stereo_Count	2
20490762	TPSA	62.8
5280492	Molecular_Weight	336.5
133741	TPSA	52.6
91298647	Total_Formal_Charge	0
21998212	Structure_Complexity	91.7
123885601	TPSA	46.2
129673373	Hydrogen_Bond_Acceptor_Count	14
52766	Undefined_Atom_Stereo_Count	0
5287571	Undefined_Bond_Stereo_Count	0
3033928	Defined_Atom_Stereo_Count	9
13584912	Defined_Bond_Stereo_Count	0
641240	Total_Formal_Charge	0
656664	Mono_Isotopic_Weight	320.1291556
2852	Non-hydrogen_Atom_Count	42
16219954	Hydrogen_Bond_Donor_Count	0
6918388	Isotope_Atom_Count	0
90997437	Exact_Mass	416.32904526
10920486	Exact_Mass	116.083729621
20387228	Non-hydrogen_Atom_Count	8
2002	Molecular_Weight	246.26
668620	Exact_Mass	310.13511374
14269	Molecular_Weight	102.13
5480	Hydrogen_Bond_Donor_Count	1
5702609	Exact_Mass	264.13615911
25142177	Total_Formal_Charge	0
46	Isotope_Atom_Count	0
44571147	XLogP3-AA	3.4
122214397	Non-hydrogen_Atom_Count	33
10051341	Isotope_Atom_Count	0
637564	Hydrogen_Bond_Acceptor_Count	1
138370	XLogP3-AA	3.1
54581335	Structure_Complexity	514
71541278	Covalent_Unit_Count	1
41095	Molecular_Weight	249.35
14712340	XLogP3-AA	1.2
56680336	Isotope_Atom_Count	0
4495	TPSA	110
71391	Defined_Bond_Stereo_Count	0
6604365	Hydrogen_Bond_Acceptor_Count	3
45878	Hydrogen_Bond_Donor_Count	0
5898	Structure_Complexity	354
60196268	Undefined_Bond_Stereo_Count	0
164511668	Mono_Isotopic_Weight	230.02355192
89446525	Structure_Complexity	180
15413224	Non-hydrogen_Atom_Count	8
444360	Defined_Atom_Stereo_Count	1
12730529	Non-hydrogen_Atom_Count	11
25548	Hydrogen_Bond_Donor_Count	0
57401370	Defined_Atom_Stereo_Count	1
32503	Structure_Complexity	169
82116	Isotope_Atom_Count	0
6051	Defined_Atom_Stereo_Count	0
16229	Mono_Isotopic_Weight	385.21138974
82343	Defined_Atom_Stereo_Count	0
155294764	Covalent_Unit_Count	1
95361	Isotope_Atom_Count	0
165286	Defined_Atom_Stereo_Count	0
53402099	Defined_Bond_Stereo_Count	0
4722	Defined_Bond_Stereo_Count	0
119716	XLogP3	3.4
60503	Defined_Bond_Stereo_Count	0
7090	Defined_Atom_Stereo_Count	0
23627460	Hydrogen_Bond_Donor_Count	3
418940	Undefined_Atom_Stereo_Count	1
5361462	Tautomer_Count	2
67089	Undefined_Bond_Stereo_Count	0
142891	XLogP3	3.3
71345	Hydrogen_Bond_Donor_Count	0
6484	Undefined_Bond_Stereo_Count	0
15096	Structure_Complexity	104
65667	TPSA	118
136870	Exact_Mass	96.093900383
9265	TPSA	0
22591521	Structure_Complexity	104
1379	Mono_Isotopic_Weight	358.30830982
70111	Hydrogen_Bond_Acceptor_Count	2
16134409	Mono_Isotopic_Weight	1891.84171491
2393	Defined_Atom_Stereo_Count	0
134826704	Defined_Bond_Stereo_Count	0
71601	Rotatable_Bond_Count	0
33845	Non-hydrogen_Atom_Count	21
5171	Mono_Isotopic_Weight	293.13282569
24699	Molecular_Weight	358.6
60904070	Isotope_Atom_Count	0
33044	Undefined_Atom_Stereo_Count	0
670359	Isotope_Atom_Count	0
53424410	Total_Formal_Charge	0
11755113	Hydrogen_Bond_Acceptor_Count	10
17860889	Hydrogen_Bond_Acceptor_Count	2
22636846	Structure_Complexity	124
84866	Undefined_Atom_Stereo_Count	0
4615	Molecular_Weight	426.6
4279	Mono_Isotopic_Weight	344.352854710
9887304	Rotatable_Bond_Count	3
6540478	Defined_Atom_Stereo_Count	6
12193653	Rotatable_Bond_Count	1
11105310	Mono_Isotopic_Weight	92.026214747
15322	Mono_Isotopic_Weight	279.97490
94865124	Structure_Complexity	756
54479104	Exact_Mass	101.084063974
208910	Hydrogen_Bond_Donor_Count	0
129866213	Molecular_Weight	500.5
266052	Defined_Atom_Stereo_Count	0
136871	TPSA	9.2
1323703	TPSA	98.2
8696	Molecular_Weight	345.34
45051637	Molecular_Weight	278.5
68476	Rotatable_Bond_Count	0
443003	Defined_Atom_Stereo_Count	2
8095	Undefined_Bond_Stereo_Count	0
13433600	Hydrogen_Bond_Acceptor_Count	3
4557	Total_Formal_Charge	0
656615	Molecular_Weight	358.5
533920	Mono_Isotopic_Weight	99.068413911
24945227	TPSA	81.1
88365	Undefined_Atom_Stereo_Count	0
43507	Isotope_Atom_Count	0
49800000	Undefined_Atom_Stereo_Count	1
19928	Molecular_Weight	144.55
447339	Exact_Mass	369.08303586
636401	Rotatable_Bond_Count	3
403802	XLogP3-AA	3.9
153830378	Mono_Isotopic_Weight	116.083729621
84647715	Mono_Isotopic_Weight	115.063328530
129865974	Isotope_Atom_Count	0
40466988	Non-hydrogen_Atom_Count	36
260913	Non-hydrogen_Atom_Count	8
82058	Total_Formal_Charge	0
129774195	Rotatable_Bond_Count	0
77971	Rotatable_Bond_Count	2
23964	Undefined_Bond_Stereo_Count	0
2569	Hydrogen_Bond_Acceptor_Count	7
1162	Structure_Complexity	1280
219071	Defined_Atom_Stereo_Count	0
575408	Isotope_Atom_Count	0
4855	Total_Formal_Charge	0
9800555	Hydrogen_Bond_Donor_Count	3
39164	Structure_Complexity	337
10251906	Mono_Isotopic_Weight	427.06444
91824751	Mono_Isotopic_Weight	832.52780463
6509808	TPSA	135
11267	Covalent_Unit_Count	1
91264731	Covalent_Unit_Count	1
3033871	Tautomer_Count	2
75151	Structure_Complexity	29
5760	Undefined_Bond_Stereo_Count	0
123779724	Mono_Isotopic_Weight	112.088815002
18527351	Non-hydrogen_Atom_Count	22
130956	Exact_Mass	322.01197472
5748551	Hydrogen_Bond_Donor_Count	2
5281099	Undefined_Bond_Stereo_Count	0
54732122	Undefined_Bond_Stereo_Count	0
96522	Hydrogen_Bond_Acceptor_Count	3
57077346	Isotope_Atom_Count	0
13276908	Hydrogen_Bond_Donor_Count	1
65919	Non-hydrogen_Atom_Count	23
210326	Covalent_Unit_Count	1
156595906	Undefined_Atom_Stereo_Count	8
157706	Hydrogen_Bond_Donor_Count	1
14494974	Hydrogen_Bond_Acceptor_Count	2
11440685	TPSA	103
447407	Non-hydrogen_Atom_Count	16
74581	Exact_Mass	161.02992040
8749	XLogP3	1.8
136231689	Covalent_Unit_Count	1
11737	Isotope_Atom_Count	0
12066	Mono_Isotopic_Weight	206.9489983
99069	Covalent_Unit_Count	1
60822	Total_Formal_Charge	0
9499	XLogP3-AA	2.2
158294441	Non-hydrogen_Atom_Count	8
61230	Defined_Atom_Stereo_Count	0
62277	TPSA	154
5880	Defined_Atom_Stereo_Count	7
846	Isotope_Atom_Count	0
52654	Hydrogen_Bond_Donor_Count	0
7289	Mono_Isotopic_Weight	127.9795702
62817	Hydrogen_Bond_Acceptor_Count	2
998021	Rotatable_Bond_Count	7
160368576	Exact_Mass	114.02900871
60199965	Rotatable_Bond_Count	6
71124	Exact_Mass	702.29817356
94381	Covalent_Unit_Count	1
5986	Undefined_Bond_Stereo_Count	0
128682	Exact_Mass	315.173547683
57401151	Total_Formal_Charge	0
6604413	Mono_Isotopic_Weight	337.24393591
14077	TPSA	26.8
102484	Total_Formal_Charge	0
94865125	Total_Formal_Charge	0
91460	Rotatable_Bond_Count	1
136037280	Covalent_Unit_Count	1
91555191	Hydrogen_Bond_Acceptor_Count	0
66509091	Undefined_Bond_Stereo_Count	0
69046	Structure_Complexity	284
49858377	Total_Formal_Charge	0
17898	Total_Formal_Charge	0
9956222	Non-hydrogen_Atom_Count	35
11162	Defined_Atom_Stereo_Count	0
23674098	Undefined_Atom_Stereo_Count	0
146474223	Covalent_Unit_Count	1
20714804	TPSA	26.3
140152869	XLogP3-AA	1.1
53701416	Defined_Atom_Stereo_Count	0
580328	Mono_Isotopic_Weight	481.98464049
6366591	XLogP3-AA	1.7
51369	TPSA	46.6
160557	Non-hydrogen_Atom_Count	12
53904133	Defined_Atom_Stereo_Count	0
16718576	Covalent_Unit_Count	1
3333	Exact_Mass	383.0691135
76969110	Defined_Bond_Stereo_Count	7
13389335	Hydrogen_Bond_Donor_Count	1
52344	Defined_Atom_Stereo_Count	0
146993530	Undefined_Atom_Stereo_Count	3
139061810	Undefined_Bond_Stereo_Count	0
40855	Total_Formal_Charge	0
137968081	Exact_Mass	645.22909095
21915946	Total_Formal_Charge	0
9860946	Hydrogen_Bond_Donor_Count	1
68740500	Structure_Complexity	248
21798	Exact_Mass	270.10044231
59058905	Hydrogen_Bond_Acceptor_Count	4
11147687	Hydrogen_Bond_Donor_Count	1
3149	Undefined_Atom_Stereo_Count	0
24802109	Rotatable_Bond_Count	6
8254	Exact_Mass	46.041864811
73425158	Undefined_Bond_Stereo_Count	0
441276	Isotope_Atom_Count	0
972505	Hydrogen_Bond_Acceptor_Count	6
59968312	Rotatable_Bond_Count	0
151419	Mono_Isotopic_Weight	266.10150494
23665730	Hydrogen_Bond_Donor_Count	0
44394119	Defined_Atom_Stereo_Count	2
3081420	TPSA	0
31315	TPSA	69.6
26964	Defined_Bond_Stereo_Count	0
66624283	Undefined_Atom_Stereo_Count	0
123891134	Covalent_Unit_Count	1
694678	Non-hydrogen_Atom_Count	22
10560335	Mono_Isotopic_Weight	208.0767261
124014051	Mono_Isotopic_Weight	113.084063974
722	Molecular_Weight	194.14
6794	Covalent_Unit_Count	3
2137	Undefined_Bond_Stereo_Count	0
24900813	XLogP3-AA	3
36415	Rotatable_Bond_Count	1
163427338	Mono_Isotopic_Weight	99.068413911
598760	Defined_Bond_Stereo_Count	0
408	TPSA	33.2
11815296	TPSA	18.5
159889	Undefined_Atom_Stereo_Count	0
120741	Hydrogen_Bond_Donor_Count	1
53910819	Hydrogen_Bond_Donor_Count	0
24901351	Structure_Complexity	648
137735	Undefined_Atom_Stereo_Count	0
5147171	Defined_Atom_Stereo_Count	1
3085017	Tautomer_Count	1
7020094	Non-hydrogen_Atom_Count	19
154202106	TPSA	62.7
11243457	Defined_Bond_Stereo_Count	0
11654876	Rotatable_Bond_Count	7
138137	Hydrogen_Bond_Acceptor_Count	0
24999143	XLogP3-AA	4.6
75389	Defined_Atom_Stereo_Count	0
4627783	Exact_Mass	112.088815002
35676	Molecular_Weight	214.19
6880	Mono_Isotopic_Weight	182.05790880
19892314	Hydrogen_Bond_Acceptor_Count	5
22753620	Undefined_Bond_Stereo_Count	0
21922278	Defined_Atom_Stereo_Count	0
84647642	Defined_Atom_Stereo_Count	0
6857447	Covalent_Unit_Count	1
7680	Undefined_Bond_Stereo_Count	0
38040	Hydrogen_Bond_Acceptor_Count	0
96389	Covalent_Unit_Count	1
44134949	Non-hydrogen_Atom_Count	95
62781	Molecular_Weight	149.66
16154490	Undefined_Bond_Stereo_Count	0
25011729	Isotope_Atom_Count	0
141886129	Covalent_Unit_Count	1
1243	Isotope_Atom_Count	0
32283	Isotope_Atom_Count	0
16170	Structure_Complexity	372
87251056	Structure_Complexity	174
12591596	Undefined_Atom_Stereo_Count	0
135418296	Rotatable_Bond_Count	0
24814	Total_Formal_Charge	0
56120	Defined_Atom_Stereo_Count	0
12256	Defined_Bond_Stereo_Count	0
740525	Molecular_Weight	285.4
85821087	Hydrogen_Bond_Acceptor_Count	0
46206643	Rotatable_Bond_Count	3
317457	Mono_Isotopic_Weight	112.088815002
132274874	Rotatable_Bond_Count	15
26923	Undefined_Bond_Stereo_Count	0
151115	Defined_Bond_Stereo_Count	0
151172	Tautomer_Count	11
53328	Tautomer_Count	2
398678	Exact_Mass	425.1405288
80675	Hydrogen_Bond_Donor_Count	3
14256301	Rotatable_Bond_Count	1
122670	Total_Formal_Charge	0
5310969	Hydrogen_Bond_Acceptor_Count	3
91513	Undefined_Bond_Stereo_Count	0
5352846	Undefined_Atom_Stereo_Count	0
136097	Rotatable_Bond_Count	0
83270	Exact_Mass	191.094628657
10833710	Tautomer_Count	9
57328385	Isotope_Atom_Count	0
69070	Rotatable_Bond_Count	0
7152	Exact_Mass	177.06372245
67669	Hydrogen_Bond_Donor_Count	0
17178037	Total_Formal_Charge	0
44455701	XLogP3-AA	3.8
12256033	Undefined_Bond_Stereo_Count	0
47567	Defined_Bond_Stereo_Count	0
72200038	Defined_Bond_Stereo_Count	0
22024915	Total_Formal_Charge	0
15731	Mono_Isotopic_Weight	186.068079557
253276	Defined_Atom_Stereo_Count	0
61996	Rotatable_Bond_Count	6
5904	Rotatable_Bond_Count	4
59043	Molecular_Weight	252.11
22648408	Mono_Isotopic_Weight	116.047344113
5460037	Defined_Atom_Stereo_Count	14
2412	Covalent_Unit_Count	1
123630	Total_Formal_Charge	0
11263471	Undefined_Bond_Stereo_Count	0
44149909	Molecular_Weight	691.9
71517699	Covalent_Unit_Count	1
14768	Structure_Complexity	26.3
8020	Defined_Bond_Stereo_Count	0
98442	Non-hydrogen_Atom_Count	17
123588530	Undefined_Atom_Stereo_Count	0
141689	Rotatable_Bond_Count	0
5462951	XLogP3-AA	2.9
91427979	Hydrogen_Bond_Acceptor_Count	0
25142309	Hydrogen_Bond_Donor_Count	2
362	TPSA	40.5
45488108	XLogP3-AA	3.6
5014	Hydrogen_Bond_Acceptor_Count	1
91886354	Rotatable_Bond_Count	0
11970447	Exact_Mass	352.2029893
5284633	Total_Formal_Charge	0
5362391	TPSA	71.8
88269064	Undefined_Atom_Stereo_Count	1
6971007	Mono_Isotopic_Weight	180.06338810
6926437	Covalent_Unit_Count	1
17572266	Covalent_Unit_Count	1
5256574	Isotope_Atom_Count	0
83569	Isotope_Atom_Count	0
6918295	Covalent_Unit_Count	1
59703148	Rotatable_Bond_Count	1
44563177	Rotatable_Bond_Count	5
22222152	Total_Formal_Charge	0
79875564	Molecular_Weight	97.16
441032	Defined_Atom_Stereo_Count	4
734884	Isotope_Atom_Count	0
44412343	Hydrogen_Bond_Donor_Count	2
135444614	Mono_Isotopic_Weight	350.18550935
131721310	Undefined_Atom_Stereo_Count	0
34367	Hydrogen_Bond_Acceptor_Count	2
5357002	Defined_Atom_Stereo_Count	0
110968	Rotatable_Bond_Count	5
46224600	Hydrogen_Bond_Donor_Count	18
544861	Non-hydrogen_Atom_Count	7
9464	Molecular_Weight	203.21
5363548	Tautomer_Count	1
10967	Tautomer_Count	1
11405875	Defined_Bond_Stereo_Count	0
69677	TPSA	25.8
17753851	Covalent_Unit_Count	1
80297114	Rotatable_Bond_Count	1
87074	TPSA	20.2
45029742	Tautomer_Count	693
5603	XLogP3	2.4
137268	Defined_Bond_Stereo_Count	0
12453880	Mono_Isotopic_Weight	112.088815002
4498243	Undefined_Bond_Stereo_Count	0
122608345	Covalent_Unit_Count	1
2098	Defined_Atom_Stereo_Count	0
130905498	Undefined_Bond_Stereo_Count	0
11953153	Exact_Mass	489.14110016
46830291	Molecular_Weight	399.8
71742521	Covalent_Unit_Count	1
2797	Molecular_Weight	214.64
53319739	Molecular_Weight	279.29
23695850	Rotatable_Bond_Count	6
12059921	Undefined_Bond_Stereo_Count	0
176871	Structure_Complexity	525
54510058	Total_Formal_Charge	0
53825954	Undefined_Atom_Stereo_Count	0
76192	Total_Formal_Charge	0
9812534	Hydrogen_Bond_Donor_Count	4
138195	TPSA	26.3
413742	Exact_Mass	140.01432991
139	Covalent_Unit_Count	1
583540	Hydrogen_Bond_Acceptor_Count	3
123608	Covalent_Unit_Count	2
6432729	Undefined_Bond_Stereo_Count	0
5367692	TPSA	26.3
117963	Structure_Complexity	321
123358	Structure_Complexity	208
33775	Rotatable_Bond_Count	2
9324	Rotatable_Bond_Count	3
44581145	Molecular_Weight	476.9
589209	Covalent_Unit_Count	1
246728	TPSA	17.1
86306373	TPSA	103
5282229	Defined_Bond_Stereo_Count	2
9579050	Undefined_Bond_Stereo_Count	0
5367222	Tautomer_Count	1
107	Defined_Bond_Stereo_Count	0
87446	Rotatable_Bond_Count	0
72551	Tautomer_Count	2
669688	Total_Formal_Charge	0
40703	Undefined_Bond_Stereo_Count	0
139591683	Undefined_Bond_Stereo_Count	0
12681848	Isotope_Atom_Count	0
122553	Structure_Complexity	372
9935274	Defined_Bond_Stereo_Count	0
572717	Hydrogen_Bond_Acceptor_Count	0
1954	Covalent_Unit_Count	1
97868	XLogP3	1.6
12209629	Undefined_Bond_Stereo_Count	0
105709961	Total_Formal_Charge	0
87063833	Isotope_Atom_Count	0
166796	Rotatable_Bond_Count	5
154416437	Rotatable_Bond_Count	0
1893	Total_Formal_Charge	0
638186	Mono_Isotopic_Weight	95.9533555
54296709	Hydrogen_Bond_Acceptor_Count	1
89785	TPSA	97.6
68333315	Covalent_Unit_Count	1
9861147	Hydrogen_Bond_Donor_Count	1
9840851	Molecular_Weight	339.4
71815	Rotatable_Bond_Count	2
14027216	TPSA	26.3
6537961	Covalent_Unit_Count	1
6427080	XLogP3-AA	2.6
95292	Defined_Atom_Stereo_Count	0
25077533	Defined_Atom_Stereo_Count	9
4503	Hydrogen_Bond_Acceptor_Count	17
13153908	TPSA	23.6
6712980	Exact_Mass	98.036779430
11788287	Covalent_Unit_Count	1
66662059	TPSA	88.6
155893809	Mono_Isotopic_Weight	114.068079557
6604495	Defined_Bond_Stereo_Count	0
543562	Structure_Complexity	98.3
61474	Tautomer_Count	1
650201	Structure_Complexity	682
101050964	Structure_Complexity	1630
101019202	Hydrogen_Bond_Acceptor_Count	8
53968086	Defined_Atom_Stereo_Count	0
5284543	Defined_Atom_Stereo_Count	5
91996	Total_Formal_Charge	0
68835	Hydrogen_Bond_Acceptor_Count	3
10772937	Hydrogen_Bond_Donor_Count	0
56972736	Isotope_Atom_Count	0
11619076	Undefined_Atom_Stereo_Count	0
86278354	Isotope_Atom_Count	0
19748724	Defined_Atom_Stereo_Count	0
452245	Defined_Bond_Stereo_Count	0
135398561	Undefined_Atom_Stereo_Count	0
149026	Undefined_Atom_Stereo_Count	0
2430	Total_Formal_Charge	0
89131	Defined_Bond_Stereo_Count	0
737374	Isotope_Atom_Count	0
15771	Tautomer_Count	1
16050641	TPSA	77.2
11886769	Structure_Complexity	382
17754007	Defined_Bond_Stereo_Count	0
75068	Non-hydrogen_Atom_Count	7
12899069	Isotope_Atom_Count	0
82717	Non-hydrogen_Atom_Count	22
7372	Structure_Complexity	104
9472	Rotatable_Bond_Count	9
5819	Isotope_Atom_Count	0
87481019	Total_Formal_Charge	0
23000221	Defined_Atom_Stereo_Count	0
136585	Exact_Mass	106.078250319
87162901	Isotope_Atom_Count	0
79642	Exact_Mass	231.0509649
19606581	Undefined_Bond_Stereo_Count	0
21864432	Mono_Isotopic_Weight	173.00861288
3414	Rotatable_Bond_Count	0
5489013	Mono_Isotopic_Weight	313.16779360
17381	Hydrogen_Bond_Donor_Count	0
15629522	Hydrogen_Bond_Acceptor_Count	2
31803	Mono_Isotopic_Weight	341.16270821
70510	Tautomer_Count	7
10226546	Hydrogen_Bond_Acceptor_Count	7
139087064	Mono_Isotopic_Weight	172.03804273
21930924	Non-hydrogen_Atom_Count	23
94932	Structure_Complexity	209
4339838	Exact_Mass	633.42798706
71533242	Total_Formal_Charge	0
57713	Exact_Mass	501.22101093
24393	Defined_Atom_Stereo_Count	0
22386	Mono_Isotopic_Weight	88.088815002
67058	Defined_Atom_Stereo_Count	0
40473166	Isotope_Atom_Count	0
11635763	Isotope_Atom_Count	0
88283211	Defined_Atom_Stereo_Count	0
11084068	Hydrogen_Bond_Donor_Count	1
571	Defined_Atom_Stereo_Count	0
2654	Undefined_Bond_Stereo_Count	1
67611425	Covalent_Unit_Count	1
8752	Isotope_Atom_Count	0
705715	Molecular_Weight	287.33
23760141	Covalent_Unit_Count	1
9920369	Hydrogen_Bond_Donor_Count	0
22859	Total_Formal_Charge	0
12341793	Total_Formal_Charge	0
85518914	XLogP3-AA	0.1
44916	Mono_Isotopic_Weight	243.1753775
18704550	Undefined_Atom_Stereo_Count	0
32451	Defined_Atom_Stereo_Count	0
69317	XLogP3-AA	4.6
14975831	Structure_Complexity	16.4
134587348	Undefined_Atom_Stereo_Count	0
71272	Mono_Isotopic_Weight	392.02910
98491	Non-hydrogen_Atom_Count	17
12570	Undefined_Atom_Stereo_Count	0
1053	Tautomer_Count	6
6365	Hydrogen_Bond_Acceptor_Count	0
11974020	Hydrogen_Bond_Acceptor_Count	8
54580795	Defined_Atom_Stereo_Count	0
12200169	TPSA	32.7
24871329	Structure_Complexity	533
68669	Isotope_Atom_Count	0
446925	Molecular_Weight	536.9
8317	Exact_Mass	456.115029749
23541	Undefined_Bond_Stereo_Count	0
557816	XLogP3-AA	0.5
17185	Molecular_Weight	162.70
5526	Molecular_Weight	157.21
11899	Hydrogen_Bond_Acceptor_Count	2
54587659	Undefined_Atom_Stereo_Count	0
5460185	Hydrogen_Bond_Acceptor_Count	5
66374	Covalent_Unit_Count	1
1040	Covalent_Unit_Count	1
12724530	Total_Formal_Charge	0
58827	Exact_Mass	313.16779360
147630	Tautomer_Count	1
80084	Undefined_Bond_Stereo_Count	0
165571	Hydrogen_Bond_Donor_Count	0
6337	TPSA	0
54058352	Non-hydrogen_Atom_Count	8
93321	Hydrogen_Bond_Donor_Count	4
627386	Molecular_Weight	402.04
24247	Non-hydrogen_Atom_Count	5
9101	Undefined_Atom_Stereo_Count	2
54331	Covalent_Unit_Count	2
12768403	Undefined_Bond_Stereo_Count	0
644020	Non-hydrogen_Atom_Count	17
545830	Undefined_Bond_Stereo_Count	0
46206296	Undefined_Bond_Stereo_Count	0
3333	Covalent_Unit_Count	1
61534	TPSA	2
222714	Defined_Bond_Stereo_Count	0
19063360	Mono_Isotopic_Weight	112.125200510
144524	Total_Formal_Charge	0
897473	Hydrogen_Bond_Donor_Count	2
3924	Mono_Isotopic_Weight	235.181038361
23576	Non-hydrogen_Atom_Count	26
167495	Isotope_Atom_Count	0
71718453	Undefined_Bond_Stereo_Count	0
15566028	Hydrogen_Bond_Donor_Count	2
57398260	Hydrogen_Bond_Donor_Count	2
9941379	Total_Formal_Charge	0
9885692	Rotatable_Bond_Count	4
14092185	Undefined_Bond_Stereo_Count	0
15567	Hydrogen_Bond_Donor_Count	1
21519577	Defined_Bond_Stereo_Count	0
143694905	Defined_Atom_Stereo_Count	0
8323	Mono_Isotopic_Weight	239.058243149
22160814	Hydrogen_Bond_Acceptor_Count	2
448979	Exact_Mass	361.0328700
7257	XLogP3	2.7
51504	Rotatable_Bond_Count	10
682	Structure_Complexity	354
71584053	Structure_Complexity	576
22502	Defined_Bond_Stereo_Count	0
131872	Isotope_Atom_Count	0
500	Defined_Bond_Stereo_Count	0
163418146	Undefined_Bond_Stereo_Count	0
97289	Undefined_Atom_Stereo_Count	0
72429	TPSA	169
94973	Total_Formal_Charge	0
2816578	Hydrogen_Bond_Acceptor_Count	5
271	Total_Formal_Charge	2
11800	Defined_Bond_Stereo_Count	0
642157	Molecular_Weight	121.16
90469695	TPSA	198
46919879	Isotope_Atom_Count	0
123809941	Rotatable_Bond_Count	0
167305	Exact_Mass	407.9681475
164914198	TPSA	9.2
27124	Exact_Mass	318.136827821
54161810	Non-hydrogen_Atom_Count	7
22594387	Mono_Isotopic_Weight	96.057514874
24705	Exact_Mass	236.10840961
123591	Defined_Bond_Stereo_Count	0
12068306	TPSA	0
2766847	Structure_Complexity	151
70075	TPSA	29.4
92866	Undefined_Atom_Stereo_Count	1
3073	Hydrogen_Bond_Acceptor_Count	3
76013	Total_Formal_Charge	0
62413	Isotope_Atom_Count	0
11018839	Rotatable_Bond_Count	1
135565082	Exact_Mass	380.11971542
118719297	Covalent_Unit_Count	1
529331	Structure_Complexity	72.9
17754220	TPSA	132
6857686	Undefined_Bond_Stereo_Count	0
50990009	Undefined_Bond_Stereo_Count	0
735950	Hydrogen_Bond_Acceptor_Count	2
13485	Structure_Complexity	464
12038941	TPSA	3.9
3052776	Undefined_Bond_Stereo_Count	0
70403	Exact_Mass	316.0648413
49866025	Hydrogen_Bond_Acceptor_Count	3
94532	Undefined_Bond_Stereo_Count	0
12148	Exact_Mass	150.079312947
9856149	Defined_Bond_Stereo_Count	1
43013	Total_Formal_Charge	0
4580	Hydrogen_Bond_Acceptor_Count	6
20277173	Undefined_Atom_Stereo_Count	0
68236	Non-hydrogen_Atom_Count	12
148184759	TPSA	21.9
131535	TPSA	192
60336	Structure_Complexity	205
163285285	Exact_Mass	288.020082
12674802	XLogP3-AA	4.2
5289085	Rotatable_Bond_Count	6
83644	Undefined_Bond_Stereo_Count	0
154489025	Isotope_Atom_Count	0
2309	XLogP3	2
57507	Rotatable_Bond_Count	3
36054	Undefined_Atom_Stereo_Count	1
214	Tautomer_Count	3
6327114	Tautomer_Count	1
103875	Tautomer_Count	1
27642	Molecular_Weight	134.13
3486729	Total_Formal_Charge	0
11053509	Rotatable_Bond_Count	1
126755973	Rotatable_Bond_Count	0
155907170	TPSA	186
129645691	Defined_Bond_Stereo_Count	0
128918	Tautomer_Count	1
59169	Defined_Bond_Stereo_Count	0
68602320	Structure_Complexity	141
111804	Undefined_Bond_Stereo_Count	0
691409	Molecular_Weight	319.34
49091	Structure_Complexity	203
29179	Defined_Atom_Stereo_Count	0
220486	Undefined_Bond_Stereo_Count	0
1878	TPSA	61.8
10443	Rotatable_Bond_Count	0
5255	Defined_Bond_Stereo_Count	0
13443454	Hydrogen_Bond_Acceptor_Count	1
439586	Tautomer_Count	1
5281120	Total_Formal_Charge	0
45359047	Defined_Atom_Stereo_Count	6
39605	Non-hydrogen_Atom_Count	6
141466486	Defined_Bond_Stereo_Count	0
19161	Defined_Atom_Stereo_Count	0
71462631	Hydrogen_Bond_Acceptor_Count	4
54583833	Hydrogen_Bond_Acceptor_Count	4
6378	Hydrogen_Bond_Acceptor_Count	1
1549120	Mono_Isotopic_Weight	319.03368562
638340	Non-hydrogen_Atom_Count	22
46783224	Structure_Complexity	969
5978	TPSA	171
471583	Hydrogen_Bond_Acceptor_Count	8
24812	Molecular_Weight	221.17
80108978	Undefined_Bond_Stereo_Count	0
135425186	TPSA	106
75674	Defined_Atom_Stereo_Count	0
11241	Tautomer_Count	1
17814354	Undefined_Bond_Stereo_Count	0
75828	Hydrogen_Bond_Donor_Count	0
7001	Undefined_Atom_Stereo_Count	0
7451	Exact_Mass	201.9588348
51051629	Undefined_Bond_Stereo_Count	0
11433190	Undefined_Bond_Stereo_Count	0
75252	XLogP3-AA	2.5
9230	Hydrogen_Bond_Acceptor_Count	0
14029615	Defined_Atom_Stereo_Count	1
830140	Rotatable_Bond_Count	3
74864	Molecular_Weight	184.21
7315	XLogP3-AA	4.2
62325	Covalent_Unit_Count	1
22256270	Defined_Atom_Stereo_Count	0
76590	Isotope_Atom_Count	0
2733293	Covalent_Unit_Count	1
53779803	Defined_Atom_Stereo_Count	0
6994279	TPSA	60.7
644160	Undefined_Atom_Stereo_Count	0
88473196	Non-hydrogen_Atom_Count	10
138322	Structure_Complexity	154
271	Rotatable_Bond_Count	0
129677105	Covalent_Unit_Count	1
90877284	Covalent_Unit_Count	1
25023837	Non-hydrogen_Atom_Count	30
9892481	Rotatable_Bond_Count	11
40602794	Rotatable_Bond_Count	3
140625088	Mono_Isotopic_Weight	284.16237386
84682	Isotope_Atom_Count	0
123178849	Undefined_Bond_Stereo_Count	0
5150303	Covalent_Unit_Count	2
2723789	Undefined_Bond_Stereo_Count	0
573592	Non-hydrogen_Atom_Count	8
3081	Defined_Bond_Stereo_Count	0
10807976	Rotatable_Bond_Count	5
24458	Defined_Atom_Stereo_Count	0
151115	Isotope_Atom_Count	0
123400934	Mono_Isotopic_Weight	106.078250319
5284515	Tautomer_Count	1
10275777	Defined_Atom_Stereo_Count	0
171409	Rotatable_Bond_Count	15
24688	Non-hydrogen_Atom_Count	8
34192	TPSA	45.6
3001055	Rotatable_Bond_Count	9
25087171	Exact_Mass	184.952958
8366	Undefined_Atom_Stereo_Count	1
5361202	Non-hydrogen_Atom_Count	29
7099	Hydrogen_Bond_Donor_Count	2
9810709	Undefined_Bond_Stereo_Count	0
10486809	Total_Formal_Charge	0
21768	Non-hydrogen_Atom_Count	11
102503853	Defined_Bond_Stereo_Count	0
256591	TPSA	26.3
70695758	Hydrogen_Bond_Donor_Count	2
7410	Defined_Atom_Stereo_Count	0
115219	Covalent_Unit_Count	1
5281647	Exact_Mass	422.08491139
3781988	Structure_Complexity	609
639643	Isotope_Atom_Count	0
74	Defined_Bond_Stereo_Count	0
15365	Isotope_Atom_Count	0
165295	Rotatable_Bond_Count	3
679	Structure_Complexity	29
762788	Undefined_Bond_Stereo_Count	0
155293246	Undefined_Atom_Stereo_Count	0
54602348	Undefined_Atom_Stereo_Count	0
61082	Hydrogen_Bond_Donor_Count	0
53846421	Non-hydrogen_Atom_Count	30
119033	Defined_Bond_Stereo_Count	0
3086173	Mono_Isotopic_Weight	436.22631153
70034662	Structure_Complexity	74
7864	XLogP3-AA	0.8
10877070	Isotope_Atom_Count	0
11378723	Hydrogen_Bond_Donor_Count	0
153534619	Covalent_Unit_Count	1
67112	Hydrogen_Bond_Donor_Count	1
124143	Undefined_Bond_Stereo_Count	0
10070040	Undefined_Atom_Stereo_Count	0
9793714	Defined_Atom_Stereo_Count	0
5059	XLogP3-AA	5.2
20041648	Hydrogen_Bond_Donor_Count	1
635186	Covalent_Unit_Count	1
54676038	Non-hydrogen_Atom_Count	25
11224214	Molecular_Weight	431.5
25263111	Defined_Atom_Stereo_Count	0
3911	Mono_Isotopic_Weight	1208.64546218
91495606	Non-hydrogen_Atom_Count	8
16219464	Hydrogen_Bond_Donor_Count	11
737804	XLogP3-AA	0.8
54283855	Defined_Bond_Stereo_Count	0
53850432	Mono_Isotopic_Weight	114.031694049
91505	Tautomer_Count	1
66609	Defined_Bond_Stereo_Count	0
14145	TPSA	74.3
5284551	Undefined_Bond_Stereo_Count	0
76038	Mono_Isotopic_Weight	394.40354761
644273	Hydrogen_Bond_Acceptor_Count	3
65714	Tautomer_Count	3
7496	Defined_Atom_Stereo_Count	0
170362	Rotatable_Bond_Count	3
60752	Total_Formal_Charge	0
135392570	Molecular_Weight	81.12
9930049	Defined_Bond_Stereo_Count	0
21879777	Non-hydrogen_Atom_Count	11
83907	Tautomer_Count	1
12310714	Undefined_Atom_Stereo_Count	1
11700696	Defined_Atom_Stereo_Count	0
10240772	Defined_Atom_Stereo_Count	0
23441	Isotope_Atom_Count	0
5282251	Hydrogen_Bond_Donor_Count	2
79856	Covalent_Unit_Count	1
11789136	Isotope_Atom_Count	0
72038	XLogP3-AA	2.9
4684	Exact_Mass	128.0028925
20515773	TPSA	46.3
9938326	Defined_Atom_Stereo_Count	1
8062	Covalent_Unit_Count	1
67656913	Total_Formal_Charge	0
6884	Non-hydrogen_Atom_Count	11
60209583	Hydrogen_Bond_Donor_Count	1
58031952	Covalent_Unit_Count	1
16213460	Defined_Bond_Stereo_Count	0
4761	Undefined_Atom_Stereo_Count	1
57825223	Mono_Isotopic_Weight	345.147726857
55595	Defined_Bond_Stereo_Count	0
13978	Hydrogen_Bond_Donor_Count	0
89418505	Undefined_Bond_Stereo_Count	0
12580	Structure_Complexity	82.7
130114929	Undefined_Bond_Stereo_Count	0
45116667	TPSA	31
44755146	Molecular_Weight	326.17
5281520	Hydrogen_Bond_Donor_Count	0
139158	Rotatable_Bond_Count	0
10243599	Molecular_Weight	245.28
19016	Non-hydrogen_Atom_Count	10
135920970	Defined_Bond_Stereo_Count	0
34850	Defined_Bond_Stereo_Count	0
398729	TPSA	50.6
70191	Exact_Mass	123.03539970
44629456	Mono_Isotopic_Weight	734.46906622
66737	Rotatable_Bond_Count	1
6271	Undefined_Bond_Stereo_Count	0
5282211	Rotatable_Bond_Count	15
86211	Structure_Complexity	387
9934643	Non-hydrogen_Atom_Count	34
86277	Defined_Bond_Stereo_Count	0
104956	Exact_Mass	366.19434270
821217	Covalent_Unit_Count	1
22524140	XLogP3-AA	4
19842676	Undefined_Atom_Stereo_Count	1
56769	TPSA	0
42626680	Exact_Mass	180.06338810
11947765	Covalent_Unit_Count	1
9963894	Hydrogen_Bond_Acceptor_Count	44
20838085	Exact_Mass	541.22465702
11748	Undefined_Bond_Stereo_Count	0
10021510	Hydrogen_Bond_Acceptor_Count	4
7029	Total_Formal_Charge	0
4583	Rotatable_Bond_Count	2
4662	Hydrogen_Bond_Donor_Count	7
119828	XLogP3-AA	3.3
2455	Total_Formal_Charge	0
9823224	Total_Formal_Charge	0
3086401	Defined_Atom_Stereo_Count	3
26369821	Covalent_Unit_Count	1
101630689	Total_Formal_Charge	0
71663	Mono_Isotopic_Weight	474.1562462
130354549	Non-hydrogen_Atom_Count	7
58536	Rotatable_Bond_Count	3
84221363	Undefined_Atom_Stereo_Count	0
160765	Tautomer_Count	1
131003005	Isotope_Atom_Count	0
45857	Defined_Atom_Stereo_Count	0
12225167	Defined_Bond_Stereo_Count	0
46204763	Total_Formal_Charge	0
21621538	Rotatable_Bond_Count	2
1727	Undefined_Atom_Stereo_Count	0
11978813	TPSA	73
30858	TPSA	46.5
751826	Hydrogen_Bond_Donor_Count	1
9811353	Defined_Atom_Stereo_Count	10
108147	Structure_Complexity	1450
9918581	Isotope_Atom_Count	0
1392	Covalent_Unit_Count	1
165870	Molecular_Weight	214.22
536124	Structure_Complexity	111
10469079	Defined_Bond_Stereo_Count	0
59850618	Total_Formal_Charge	0
97390	XLogP3-AA	0.2
585	Defined_Bond_Stereo_Count	0
86013	Mono_Isotopic_Weight	219.162314293
10071747	Non-hydrogen_Atom_Count	31
6917778	Mono_Isotopic_Weight	282.1498911
439318	Rotatable_Bond_Count	6
5491295	Hydrogen_Bond_Donor_Count	3
77845	Defined_Atom_Stereo_Count	0
118665446	Isotope_Atom_Count	0
67303	Non-hydrogen_Atom_Count	16
9171	Mono_Isotopic_Weight	228.093900383
441345	Non-hydrogen_Atom_Count	30
50009	Undefined_Atom_Stereo_Count	0
45791261	Covalent_Unit_Count	1
17754007	Structure_Complexity	192
10007	Exact_Mass	183.0814771
12077313	Non-hydrogen_Atom_Count	13
3750	Defined_Bond_Stereo_Count	0
31799	Undefined_Atom_Stereo_Count	1
141167	Defined_Bond_Stereo_Count	0
9548590	Structure_Complexity	600
60150330	Total_Formal_Charge	0
89261068	Undefined_Atom_Stereo_Count	0
819	Hydrogen_Bond_Acceptor_Count	30
148429079	Defined_Atom_Stereo_Count	0
44570384	Total_Formal_Charge	0
215	Hydrogen_Bond_Donor_Count	1
53465	Hydrogen_Bond_Acceptor_Count	4
3530398	XLogP3-AA	2.8
500460	Total_Formal_Charge	0
10072851	Hydrogen_Bond_Donor_Count	2
101271814	Isotope_Atom_Count	0
57992039	Covalent_Unit_Count	1
21958071	Hydrogen_Bond_Donor_Count	3
10683	Isotope_Atom_Count	0
688451	Isotope_Atom_Count	0
203329	Non-hydrogen_Atom_Count	38
21585056	Undefined_Bond_Stereo_Count	0
78858	Structure_Complexity	199
9571109	Mono_Isotopic_Weight	395.068258
15904	Molecular_Weight	155.19
45375806	Hydrogen_Bond_Acceptor_Count	11
73984	Defined_Atom_Stereo_Count	0
15129466	Defined_Bond_Stereo_Count	0
53393621	Molecular_Weight	364.9
448812	Covalent_Unit_Count	1
440560	Covalent_Unit_Count	1
6554040	Hydrogen_Bond_Acceptor_Count	4
3033985	Total_Formal_Charge	0
114781	Undefined_Atom_Stereo_Count	0
5385498	Exact_Mass	428.31378912
10969	Undefined_Atom_Stereo_Count	1
14178853	Hydrogen_Bond_Donor_Count	0
12132667	Non-hydrogen_Atom_Count	7
102518	Rotatable_Bond_Count	0
117814470	Molecular_Weight	212.13
16719	Covalent_Unit_Count	1
16541	Hydrogen_Bond_Donor_Count	0
22274936	Defined_Bond_Stereo_Count	0
85296	Tautomer_Count	1
58642	Undefined_Atom_Stereo_Count	0
56637807	Rotatable_Bond_Count	0
18689	Undefined_Bond_Stereo_Count	0
28794	Isotope_Atom_Count	0
4736	Rotatable_Bond_Count	2
7311724	TPSA	67.8
2555	Structure_Complexity	358
808817	Molecular_Weight	247.33
89131	Isotope_Atom_Count	0
62140646	Non-hydrogen_Atom_Count	8
185495	Hydrogen_Bond_Donor_Count	0
95946	Hydrogen_Bond_Donor_Count	2
4855	XLogP3	1.3
57461922	Hydrogen_Bond_Acceptor_Count	2
5460188	Exact_Mass	304.276615768
899	Undefined_Atom_Stereo_Count	5
87380	Exact_Mass	240.133427172
28424	Undefined_Atom_Stereo_Count	0
194	Undefined_Bond_Stereo_Count	0
133268464	Hydrogen_Bond_Donor_Count	21
18755330	XLogP3-AA	0.2
21219660	Structure_Complexity	52.1
12505483	Undefined_Bond_Stereo_Count	0
447700	Hydrogen_Bond_Acceptor_Count	5
3034368	Exact_Mass	538.749951
3779	Mono_Isotopic_Weight	211.12084340
17776820	Exact_Mass	110.109550447
11240433	Mono_Isotopic_Weight	96.068748264
709	Rotatable_Bond_Count	3
9795	Defined_Bond_Stereo_Count	0
247	Non-hydrogen_Atom_Count	8
9821941	Defined_Atom_Stereo_Count	0
20667	Covalent_Unit_Count	1
10454	Non-hydrogen_Atom_Count	10
7108	Isotope_Atom_Count	0
76960246	Structure_Complexity	367
252139	Rotatable_Bond_Count	4
57358267	Defined_Bond_Stereo_Count	0
44565777	Exact_Mass	262.15420922
101587427	Hydrogen_Bond_Acceptor_Count	3
161973	Structure_Complexity	257
716315	Molecular_Weight	183.18
15995	Non-hydrogen_Atom_Count	16
5421897	Rotatable_Bond_Count	3
69370	Hydrogen_Bond_Acceptor_Count	2
90487295	Defined_Atom_Stereo_Count	0
20544	TPSA	42.4
13611195	TPSA	0
138122	Undefined_Bond_Stereo_Count	0
23675320	TPSA	141
51001932	Undefined_Bond_Stereo_Count	0
172296	Total_Formal_Charge	0
443879	Molecular_Weight	325.5
44144429	Undefined_Bond_Stereo_Count	0
16036825	Structure_Complexity	499
3664	TPSA	149
21777	Molecular_Weight	211.73
84647611	Non-hydrogen_Atom_Count	7
78858	Defined_Bond_Stereo_Count	0
58496428	Structure_Complexity	732
87329230	Defined_Bond_Stereo_Count	0
6452419	Hydrogen_Bond_Acceptor_Count	2
16775060	Undefined_Bond_Stereo_Count	0
2471	Hydrogen_Bond_Acceptor_Count	7
29685	Undefined_Bond_Stereo_Count	0
121489349	Hydrogen_Bond_Donor_Count	25
71776101	Undefined_Bond_Stereo_Count	0
54682458	Undefined_Bond_Stereo_Count	0
70694239	Hydrogen_Bond_Donor_Count	1
10952	Covalent_Unit_Count	1
44626421	XLogP3-AA	5.6
78759348	Non-hydrogen_Atom_Count	25
73442840	Isotope_Atom_Count	6
88093945	TPSA	60.7
6495	Defined_Atom_Stereo_Count	0
5946	Tautomer_Count	1
6479523	TPSA	173
176166	Tautomer_Count	3
139062656	Undefined_Bond_Stereo_Count	0
8705	Hydrogen_Bond_Donor_Count	1
7848	Defined_Bond_Stereo_Count	0
10931404	TPSA	37.3
53465	Tautomer_Count	1
12740462	Total_Formal_Charge	0
38910	Structure_Complexity	58
91488	Total_Formal_Charge	0
95659	Mono_Isotopic_Weight	198.104465066
8540	Hydrogen_Bond_Donor_Count	1
57144446	Total_Formal_Charge	0
72078	Defined_Atom_Stereo_Count	7
550525	Defined_Bond_Stereo_Count	0
13506	Tautomer_Count	3
90476206	Hydrogen_Bond_Acceptor_Count	9
23686132	Defined_Atom_Stereo_Count	0
58055	Total_Formal_Charge	0
13223	XLogP3-AA	0.7
67611425	XLogP3-AA	1
11366954	Molecular_Weight	97.12
19065710	Non-hydrogen_Atom_Count	8
66248	Hydrogen_Bond_Acceptor_Count	3
8168	TPSA	3.2
5282386	TPSA	24.4
129009962	Hydrogen_Bond_Acceptor_Count	28
5651	Structure_Complexity	2960
10456134	Covalent_Unit_Count	1
94317	Covalent_Unit_Count	1
11382	Structure_Complexity	480
18048	Mono_Isotopic_Weight	178.135765193
8189	Rotatable_Bond_Count	9
30923	Structure_Complexity	216
40496	Structure_Complexity	272
439231	Mono_Isotopic_Weight	74.036779430
12544003	Covalent_Unit_Count	1
17425	TPSA	118
6785	Molecular_Weight	280.27
1221	Covalent_Unit_Count	1
441233	Defined_Atom_Stereo_Count	1
18722856	Structure_Complexity	106
31903	Undefined_Bond_Stereo_Count	0
118796404	TPSA	241
11094587	Defined_Atom_Stereo_Count	0
534688	Undefined_Bond_Stereo_Count	0
87439	Total_Formal_Charge	0
4403	Mono_Isotopic_Weight	361.07873486
439165	TPSA	157
21130160	Structure_Complexity	88.4
141897	Tautomer_Count	1
1335	Exact_Mass	133.07389321
156907991	Non-hydrogen_Atom_Count	91
91826482	Mono_Isotopic_Weight	444.0906928
129634850	Rotatable_Bond_Count	1
22631092	Undefined_Bond_Stereo_Count	0
48346	Non-hydrogen_Atom_Count	15
11527774	Covalent_Unit_Count	1
12262506	Rotatable_Bond_Count	4
46173017	Defined_Atom_Stereo_Count	0
54367722	Defined_Atom_Stereo_Count	0
95102	Tautomer_Count	1
3045406	Molecular_Weight	317.9
90884886	Isotope_Atom_Count	0
69578	Rotatable_Bond_Count	0
9623	Defined_Atom_Stereo_Count	0
53323075	Rotatable_Bond_Count	8
5285554	Covalent_Unit_Count	1
52942212	Hydrogen_Bond_Donor_Count	1
11631662	Rotatable_Bond_Count	5
16114800	Molecular_Weight	1001.1
12266	TPSA	13.1
12462	Undefined_Atom_Stereo_Count	0
25724	Hydrogen_Bond_Acceptor_Count	3
878	Covalent_Unit_Count	1
83904774	Total_Formal_Charge	0
89389546	Isotope_Atom_Count	0
10240772	Molecular_Weight	101.10
165360129	Mono_Isotopic_Weight	1248.62378324
22639586	Isotope_Atom_Count	0
9844747	Molecular_Weight	415.5
444698	Rotatable_Bond_Count	4
524211	Structure_Complexity	149
14819036	Defined_Bond_Stereo_Count	0
139593369	Non-hydrogen_Atom_Count	50
22559336	TPSA	9.2
117890905	Defined_Bond_Stereo_Count	0
44607530	Molecular_Weight	495.0
71583271	Undefined_Bond_Stereo_Count	0
22147963	Structure_Complexity	133
73950789	Total_Formal_Charge	0
12502754	Isotope_Atom_Count	0
25875	Structure_Complexity	382
64819	Non-hydrogen_Atom_Count	85
56679083	Mono_Isotopic_Weight	1421.74894144
139352	Total_Formal_Charge	0
28429	Defined_Atom_Stereo_Count	0
14592	Isotope_Atom_Count	0
39521	Undefined_Bond_Stereo_Count	0
5320547	Covalent_Unit_Count	1
2153	TPSA	69.3
6889	Exact_Mass	224.94254
14463	Hydrogen_Bond_Acceptor_Count	6
156497240	Total_Formal_Charge	0
45934498	Structure_Complexity	508
39212	Mono_Isotopic_Weight	491.18793473
42	Exact_Mass	214.04773803
11966162	Molecular_Weight	907.7
41317	Undefined_Bond_Stereo_Count	4
13438404	XLogP3-AA	0.2
111318	Hydrogen_Bond_Donor_Count	0
57395977	Rotatable_Bond_Count	10
12596780	Defined_Atom_Stereo_Count	0
13590	Molecular_Weight	98.15
11652865	Rotatable_Bond_Count	2
163321054	Rotatable_Bond_Count	24
295275	Defined_Bond_Stereo_Count	0
156255626	Defined_Atom_Stereo_Count	0
25130088	Mono_Isotopic_Weight	462.27432435
132992789	Defined_Atom_Stereo_Count	0
135938	Structure_Complexity	153
4646	Defined_Bond_Stereo_Count	0
139055434	Hydrogen_Bond_Acceptor_Count	13
5497105	Isotope_Atom_Count	0
61306	Defined_Bond_Stereo_Count	0
10727	TPSA	20.3
9930	Undefined_Atom_Stereo_Count	0
139062526	Structure_Complexity	376
71771	Non-hydrogen_Atom_Count	23
90169	Hydrogen_Bond_Acceptor_Count	6
44402	Tautomer_Count	3
136419	Isotope_Atom_Count	0
53935056	Structure_Complexity	37.1
14225651	TPSA	17.1
358067	Rotatable_Bond_Count	0
18779	Defined_Bond_Stereo_Count	0
529308	Molecular_Weight	86.13
135546482	Exact_Mass	253.085126602
271488	Isotope_Atom_Count	0
16211656	Exact_Mass	235.9804853
11974213	Molecular_Weight	485.0
62237	Mono_Isotopic_Weight	118.04523611
4662	Defined_Atom_Stereo_Count	0
76974809	Defined_Atom_Stereo_Count	0
5486821	Isotope_Atom_Count	0
65793	Undefined_Bond_Stereo_Count	0
61489	TPSA	177
102220	Mono_Isotopic_Weight	361.1808568
25116191	Structure_Complexity	507
59421472	Molecular_Weight	121.10
53321481	TPSA	96.6
15614042	TPSA	89.5
9231	Rotatable_Bond_Count	0
53240376	Molecular_Weight	725.7
38879	Non-hydrogen_Atom_Count	16
90066559	Exact_Mass	100.100048391
14800	Tautomer_Count	1
2787	Hydrogen_Bond_Acceptor_Count	6
12248306	Structure_Complexity	101
13134933	Undefined_Atom_Stereo_Count	0
71986	Isotope_Atom_Count	0
56626	Molecular_Weight	323.4
145705672	Rotatable_Bond_Count	10
42240	Exact_Mass	182.05790880
12675	Undefined_Bond_Stereo_Count	0
21192822	Mono_Isotopic_Weight	418.1120432
62253	TPSA	27.7
88332	Isotope_Atom_Count	0
53763878	Covalent_Unit_Count	1
701745	Covalent_Unit_Count	1
18999713	Defined_Bond_Stereo_Count	0
24802551	Undefined_Atom_Stereo_Count	1
45380694	TPSA	91
11181	Exact_Mass	100.063662883
257630	XLogP3-AA	3.8
13245713	Total_Formal_Charge	0
273032	Undefined_Bond_Stereo_Count	0
71681009	Covalent_Unit_Count	1
12576587	Undefined_Bond_Stereo_Count	0
101916	Rotatable_Bond_Count	0
21322048	TPSA	17.1
13939519	Structure_Complexity	90.5
70678916	Undefined_Atom_Stereo_Count	0
5363858	Molecular_Weight	198.26
123783729	Hydrogen_Bond_Acceptor_Count	1
2781343	Exact_Mass	230.9312403
8396	Mono_Isotopic_Weight	176.120115130
6439276	Hydrogen_Bond_Acceptor_Count	12
135409548	Molecular_Weight	327.29
445501	XLogP3-AA	3.1
62219	Undefined_Atom_Stereo_Count	0
153929914	Defined_Atom_Stereo_Count	0
16772299	Exact_Mass	99.104799419
178145	Non-hydrogen_Atom_Count	26
13766702	Molecular_Weight	564.7
41023	Hydrogen_Bond_Acceptor_Count	3
3032361	TPSA	64.4
19471	XLogP3-AA	0.1
96291	Structure_Complexity	86.9
88209	Isotope_Atom_Count	0
3762	Undefined_Bond_Stereo_Count	0
59390227	Covalent_Unit_Count	1
139938268	Undefined_Atom_Stereo_Count	1
8068	Tautomer_Count	1
93083	Non-hydrogen_Atom_Count	6
117715670	Defined_Bond_Stereo_Count	0
7472	Hydrogen_Bond_Donor_Count	1
124031779	Covalent_Unit_Count	1
5284631	Rotatable_Bond_Count	5
182677	Defined_Bond_Stereo_Count	0
2904	Mono_Isotopic_Weight	379.0427261
10931374	Non-hydrogen_Atom_Count	7
11286230	Exact_Mass	925.50349992
38853	Rotatable_Bond_Count	3
55287849	Non-hydrogen_Atom_Count	7
6328163	Mono_Isotopic_Weight	500.0545926
15427	Exact_Mass	159.104799419
3015773	Total_Formal_Charge	0
7846	Total_Formal_Charge	0
13908	Defined_Bond_Stereo_Count	0
1473603	Rotatable_Bond_Count	4
107647	Molecular_Weight	210.11
1837	Structure_Complexity	203
35384	Structure_Complexity	411
54394834	Covalent_Unit_Count	1
136247302	Exact_Mass	391.262362685
12513422	Mono_Isotopic_Weight	96.057514874
20081031	TPSA	64.7
7318	Exact_Mass	183.01677226
5447	Hydrogen_Bond_Donor_Count	2
129864969	Rotatable_Bond_Count	2
11768539	Non-hydrogen_Atom_Count	8
44134379	Molecular_Weight	364.9
57430	Isotope_Atom_Count	0
63260	Rotatable_Bond_Count	4
74195	Molecular_Weight	266.4
8265	XLogP3-AA	2.4
53759081	Mono_Isotopic_Weight	103.063328530
23338788	Hydrogen_Bond_Acceptor_Count	2
24214097	Total_Formal_Charge	0
16218636	Exact_Mass	307.26401645
12298	Undefined_Atom_Stereo_Count	0
550964	Hydrogen_Bond_Donor_Count	1
20774105	Structure_Complexity	122
97391	TPSA	0
2691	TPSA	198
124701961	Hydrogen_Bond_Acceptor_Count	1
21872002	Undefined_Atom_Stereo_Count	0
10746	Hydrogen_Bond_Acceptor_Count	3
51529	Defined_Atom_Stereo_Count	0
11174789	Covalent_Unit_Count	1
424353	Undefined_Atom_Stereo_Count	3
46841787	Molecular_Weight	531.9
23000709	TPSA	64.9
9964188	Total_Formal_Charge	0
11519741	Hydrogen_Bond_Acceptor_Count	7
7656	Isotope_Atom_Count	0
414	Total_Formal_Charge	0
118248246	Covalent_Unit_Count	1
4019563	TPSA	197
94910	Undefined_Atom_Stereo_Count	0
7628	Exact_Mass	62.0175241
1301	Exact_Mass	252.07623855
12601908	Undefined_Atom_Stereo_Count	0
106358	Hydrogen_Bond_Acceptor_Count	4
54697325	XLogP3-AA	3
19352565	Hydrogen_Bond_Acceptor_Count	1
15951484	Undefined_Atom_Stereo_Count	1
146158974	Exact_Mass	402.1710204
3080836	Covalent_Unit_Count	2
79535	Molecular_Weight	232.36
94811	Undefined_Bond_Stereo_Count	0
69591	Hydrogen_Bond_Acceptor_Count	1
11116013	Isotope_Atom_Count	0
8196	Covalent_Unit_Count	1
71091807	Total_Formal_Charge	0
150175	Exact_Mass	237.06372245
3000825	Molecular_Weight	324.4
58420727	Hydrogen_Bond_Acceptor_Count	3
62118	Undefined_Atom_Stereo_Count	0
25273227	Hydrogen_Bond_Donor_Count	1
4685	Molecular_Weight	147.00
29393	Defined_Bond_Stereo_Count	0
23689980	Exact_Mass	117.97005941
319701	Structure_Complexity	743
83814961	Non-hydrogen_Atom_Count	8
6992039	Hydrogen_Bond_Donor_Count	3
12200	Molecular_Weight	182.09
59067341	Covalent_Unit_Count	1
11618	Non-hydrogen_Atom_Count	7
18521191	Exact_Mass	97.089149355
9195	Undefined_Bond_Stereo_Count	0
59034276	Non-hydrogen_Atom_Count	12
4740700	Exact_Mass	149.060254526
70821	Structure_Complexity	219
57384039	Defined_Bond_Stereo_Count	0
11507658	TPSA	64.6
90385783	Structure_Complexity	131
257950	Covalent_Unit_Count	1
118946372	Structure_Complexity	1000
217049	Exact_Mass	545.20047090
119242	Hydrogen_Bond_Acceptor_Count	1
11589453	Hydrogen_Bond_Acceptor_Count	5
55473	Covalent_Unit_Count	1
452110	Isotope_Atom_Count	0
2723631	Undefined_Atom_Stereo_Count	0
15950086	Exact_Mass	396.15101554
618566	Molecular_Weight	430.2
24965990	Structure_Complexity	664
66261	Covalent_Unit_Count	1
97234	TPSA	74.5
33643	Undefined_Bond_Stereo_Count	0
4604180	Defined_Atom_Stereo_Count	0
2736145	Covalent_Unit_Count	1
449087	Exact_Mass	291.137162174
59350891	XLogP3-AA	1.9
658	Total_Formal_Charge	0
59755734	Hydrogen_Bond_Acceptor_Count	1
25014598	Total_Formal_Charge	0
135556691	Undefined_Atom_Stereo_Count	0
199229	Hydrogen_Bond_Donor_Count	0
68675439	Structure_Complexity	74.6
11539235	Undefined_Atom_Stereo_Count	1
8681	Structure_Complexity	395
90281906	Defined_Bond_Stereo_Count	0
6432061	Hydrogen_Bond_Acceptor_Count	0
8961	Non-hydrogen_Atom_Count	11
57064571	Undefined_Bond_Stereo_Count	1
98306	Undefined_Bond_Stereo_Count	1
18356755	Non-hydrogen_Atom_Count	7
450591	TPSA	63.3
129679806	Rotatable_Bond_Count	3
638552	Isotope_Atom_Count	0
50367	Rotatable_Bond_Count	3
98282	Isotope_Atom_Count	0
1470718	Defined_Atom_Stereo_Count	0
24950485	Hydrogen_Bond_Acceptor_Count	10
595230	Mono_Isotopic_Weight	161.047678466
126710233	Structure_Complexity	68.5
95809	Molecular_Weight	403.7
5376979	Non-hydrogen_Atom_Count	18
60139	TPSA	432
541661	Mono_Isotopic_Weight	129.98369848
164886662	Rotatable_Bond_Count	4
20373272	TPSA	9.2
21932803	Exact_Mass	121.03884512
8133	Defined_Bond_Stereo_Count	0
81426	Rotatable_Bond_Count	6
656598	Isotope_Atom_Count	0
58323974	Non-hydrogen_Atom_Count	8
163775008	Defined_Bond_Stereo_Count	5
62760	Total_Formal_Charge	0
35384	Mono_Isotopic_Weight	331.0975211
226274	Molecular_Weight	113.16
13004	Defined_Atom_Stereo_Count	0
197148	Isotope_Atom_Count	0
9854489	Defined_Atom_Stereo_Count	9
45488104	Undefined_Atom_Stereo_Count	0
9817550	Undefined_Bond_Stereo_Count	0
9960616	Defined_Bond_Stereo_Count	0
23649154	Rotatable_Bond_Count	4
27284	Defined_Bond_Stereo_Count	0
13480954	Rotatable_Bond_Count	2
25001850	Isotope_Atom_Count	0
5505	Total_Formal_Charge	0
185992	Covalent_Unit_Count	1
3957	XLogP3	5.2
10008	Structure_Complexity	46.1
12444299	Non-hydrogen_Atom_Count	35
132862	Structure_Complexity	193
77084	Hydrogen_Bond_Donor_Count	2
549253	Isotope_Atom_Count	0
5484444	Defined_Bond_Stereo_Count	0
53944814	Defined_Atom_Stereo_Count	0
7190	Non-hydrogen_Atom_Count	16
162461	Rotatable_Bond_Count	3
106358	Tautomer_Count	1
1207	Total_Formal_Charge	0
5361092	Hydrogen_Bond_Donor_Count	2
5377022	Undefined_Bond_Stereo_Count	0
9985155	Defined_Atom_Stereo_Count	0
18477728	Undefined_Bond_Stereo_Count	0
91563	Undefined_Bond_Stereo_Count	0
68741938	Defined_Bond_Stereo_Count	0
14869	Covalent_Unit_Count	1
70695759	Hydrogen_Bond_Donor_Count	3
5963	Defined_Atom_Stereo_Count	0
87106789	Covalent_Unit_Count	2
51577	Mono_Isotopic_Weight	207.11067264
17831	Defined_Bond_Stereo_Count	0
146156428	Defined_Bond_Stereo_Count	0
21910271	Exact_Mass	223.04899890
3002120	XLogP3-AA	2.7
3819932	Undefined_Atom_Stereo_Count	1
55284046	Hydrogen_Bond_Acceptor_Count	2
70693585	Rotatable_Bond_Count	6
743492	Undefined_Bond_Stereo_Count	0
136219151	Exact_Mass	404.1767745
7761	Tautomer_Count	1
75919	Molecular_Weight	122.17
123976	Molecular_Weight	402.7
88336	Hydrogen_Bond_Donor_Count	1
55652	Rotatable_Bond_Count	4
160932	Undefined_Atom_Stereo_Count	0
44864	Rotatable_Bond_Count	5
75634	Non-hydrogen_Atom_Count	7
44946	Defined_Bond_Stereo_Count	0
67643	Non-hydrogen_Atom_Count	25
23665037	Structure_Complexity	426
25245437	Molecular_Weight	688.7
3708	Covalent_Unit_Count	1
101584	Non-hydrogen_Atom_Count	30
12724530	Structure_Complexity	84.2
442504	Hydrogen_Bond_Donor_Count	0
38040	Mono_Isotopic_Weight	289.922361
7915	Covalent_Unit_Count	1
11106352	Undefined_Bond_Stereo_Count	0
2764874	TPSA	63.4
7048	Undefined_Bond_Stereo_Count	0
21843609	Rotatable_Bond_Count	2
6741	Undefined_Atom_Stereo_Count	0
124838013	Rotatable_Bond_Count	11
11974	Exact_Mass	469.97760
87829093	Undefined_Atom_Stereo_Count	0
69144	Hydrogen_Bond_Donor_Count	0
98808	Undefined_Atom_Stereo_Count	0
123239	TPSA	44.4
595928	Isotope_Atom_Count	0
2734167	TPSA	8.8
2244	Exact_Mass	180.04225873
11980076	Non-hydrogen_Atom_Count	89
1	Hydrogen_Bond_Acceptor_Count	4
10282265	Isotope_Atom_Count	0
2021	Undefined_Bond_Stereo_Count	0
59296100	Molecular_Weight	460.9
60196307	Defined_Bond_Stereo_Count	0
61663	Undefined_Atom_Stereo_Count	0
79346	XLogP3-AA	0.5
216	Hydrogen_Bond_Acceptor_Count	7
71587288	TPSA	99
76084	Defined_Atom_Stereo_Count	0
6183479	XLogP3	0.3
123212370	Defined_Atom_Stereo_Count	0
1981	Defined_Bond_Stereo_Count	0
716121	Undefined_Atom_Stereo_Count	0
68374	Undefined_Bond_Stereo_Count	0
135409387	Hydrogen_Bond_Donor_Count	1
6971016	TPSA	110
60199965	Defined_Atom_Stereo_Count	2
947097	Molecular_Weight	337.4
123470675	Hydrogen_Bond_Donor_Count	0
131110184	Rotatable_Bond_Count	2
53174	Non-hydrogen_Atom_Count	20
59653	Undefined_Atom_Stereo_Count	3
15945857	Undefined_Bond_Stereo_Count	0
131721310	TPSA	0
11416	Non-hydrogen_Atom_Count	8
133090	Undefined_Atom_Stereo_Count	1
856278	Undefined_Atom_Stereo_Count	0
70690019	Rotatable_Bond_Count	4
117479	Defined_Bond_Stereo_Count	0
23505018	Defined_Bond_Stereo_Count	0
237946	Isotope_Atom_Count	0
349957	TPSA	20.3
4371	Molecular_Weight	808.5
101033892	Undefined_Bond_Stereo_Count	0
71360804	Structure_Complexity	272
5371531	Tautomer_Count	5
94684	Hydrogen_Bond_Acceptor_Count	1
163429552	Defined_Bond_Stereo_Count	0
17181	Total_Formal_Charge	0
29971	Rotatable_Bond_Count	2
35023	Molecular_Weight	246.27
205324	Rotatable_Bond_Count	0
66969	Tautomer_Count	1
22602670	Defined_Atom_Stereo_Count	0
10333656	Undefined_Atom_Stereo_Count	0
6918988	Molecular_Weight	293.29
11030410	Hydrogen_Bond_Acceptor_Count	6
45488121	Exact_Mass	422.15543222
10002668	Isotope_Atom_Count	0
11899	Defined_Bond_Stereo_Count	0
555192	Undefined_Atom_Stereo_Count	0
22015243	Non-hydrogen_Atom_Count	8
99564	XLogP3-AA	0.1
31250	Total_Formal_Charge	0
40549	Undefined_Atom_Stereo_Count	0
43818	Molecular_Weight	320.9
96570	Exact_Mass	272.01188512
449242	Mono_Isotopic_Weight	360.07225250
335	Mono_Isotopic_Weight	108.057514874
77430	Covalent_Unit_Count	1
448925	Hydrogen_Bond_Acceptor_Count	11
111	Undefined_Atom_Stereo_Count	0
77996	Mono_Isotopic_Weight	416.32904526
24866733	Undefined_Atom_Stereo_Count	0
65815658	Undefined_Atom_Stereo_Count	1
67938294	Non-hydrogen_Atom_Count	7
92546	XLogP3-AA	1.3
21611	Defined_Atom_Stereo_Count	0
2723733	Hydrogen_Bond_Acceptor_Count	11
12502857	Hydrogen_Bond_Donor_Count	0
137148307	Exact_Mass	231.01574069
65834	TPSA	20.3
9423	Molecular_Weight	254.37
131057	Total_Formal_Charge	0
135398645	Undefined_Bond_Stereo_Count	0
13291788	Non-hydrogen_Atom_Count	7
148676572	Rotatable_Bond_Count	0
59694	Exact_Mass	259.0876252
22500965	Undefined_Bond_Stereo_Count	0
6918160	Tautomer_Count	1
46783224	Undefined_Atom_Stereo_Count	4
38988396	Isotope_Atom_Count	0
22226235	Defined_Bond_Stereo_Count	0
5287851	Covalent_Unit_Count	1
32315	Total_Formal_Charge	0
4380	TPSA	12.5
97944	Tautomer_Count	1
21675633	TPSA	9.2
56208	Isotope_Atom_Count	0
1519487	Covalent_Unit_Count	1
6442928	Defined_Bond_Stereo_Count	2
71355988	Defined_Bond_Stereo_Count	0
5281894	Defined_Atom_Stereo_Count	0
31297	Mono_Isotopic_Weight	113.9542282
102146446	Exact_Mass	115.123523487
1	Tautomer_Count	1
9818231	Rotatable_Bond_Count	3
118984402	Mono_Isotopic_Weight	456.32261721
33474	Undefined_Atom_Stereo_Count	0
131695	Defined_Atom_Stereo_Count	0
44404642	TPSA	95.2
26035	Mono_Isotopic_Weight	326.14528450
21698963	Hydrogen_Bond_Acceptor_Count	4
170759	Undefined_Atom_Stereo_Count	0
9937618	Covalent_Unit_Count	3
9330	XLogP3	2.6
123133923	Undefined_Atom_Stereo_Count	0
53693313	Hydrogen_Bond_Acceptor_Count	2
66823783	Exact_Mass	132.043596145
225674	Hydrogen_Bond_Donor_Count	1
44392088	TPSA	69.3
118210311	Undefined_Bond_Stereo_Count	0
66013	Non-hydrogen_Atom_Count	8
23688359	Total_Formal_Charge	0
47714	TPSA	50.8
68392349	Undefined_Bond_Stereo_Count	0
16722125	Mono_Isotopic_Weight	396.13953042
88269708	Defined_Bond_Stereo_Count	0
821629	Tautomer_Count	1
22875828	Tautomer_Count	2
2734952	Molecular_Weight	246.25
39327	Defined_Atom_Stereo_Count	0
57551933	Defined_Atom_Stereo_Count	0
145521	Isotope_Atom_Count	0
135618150	Hydrogen_Bond_Donor_Count	10
92299	Mono_Isotopic_Weight	233.177964357
158536	Defined_Atom_Stereo_Count	0
5459377	Defined_Bond_Stereo_Count	0
10630	Hydrogen_Bond_Acceptor_Count	3
78950	Undefined_Bond_Stereo_Count	0
71380	Rotatable_Bond_Count	0
18719616	Undefined_Bond_Stereo_Count	0
258618	TPSA	17.1
71695437	TPSA	33
443111	Exact_Mass	525.24750046
60196424	Non-hydrogen_Atom_Count	27
6477186	Defined_Atom_Stereo_Count	1
810229	Isotope_Atom_Count	0
15606	Defined_Atom_Stereo_Count	0
53689060	Undefined_Atom_Stereo_Count	0
21789	Mono_Isotopic_Weight	191.094628657
150762	Structure_Complexity	1090
10193369	Total_Formal_Charge	0
60196393	Defined_Bond_Stereo_Count	0
6713951	Total_Formal_Charge	0
21482439	TPSA	9.2
134828	Exact_Mass	298.09535693
919	Structure_Complexity	265
3988	TPSA	113
86488	Undefined_Bond_Stereo_Count	0
4	Non-hydrogen_Atom_Count	5
51003564	Mono_Isotopic_Weight	256.121177757
14543958	Covalent_Unit_Count	1
21353681	Isotope_Atom_Count	0
64040	Undefined_Atom_Stereo_Count	0
37865	Non-hydrogen_Atom_Count	21
41575	Defined_Atom_Stereo_Count	0
8683	Structure_Complexity	189
135413525	Mono_Isotopic_Weight	241.09635999
44359653	Hydrogen_Bond_Acceptor_Count	18
170832	Mono_Isotopic_Weight	259.157228913
821629	Non-hydrogen_Atom_Count	17
27123	Rotatable_Bond_Count	7
14416612	Non-hydrogen_Atom_Count	8
129791	Defined_Atom_Stereo_Count	0
1264	Structure_Complexity	784
86811213	Exact_Mass	223.10199966
66087	Structure_Complexity	102
81732	Total_Formal_Charge	0
5281727	Molecular_Weight	256.30
46738768	Undefined_Bond_Stereo_Count	0
11378469	Isotope_Atom_Count	0
36576	Defined_Atom_Stereo_Count	0
68745	TPSA	74.6
9908306	Isotope_Atom_Count	0
23625795	Defined_Bond_Stereo_Count	0
53724680	Defined_Bond_Stereo_Count	0
6834	Hydrogen_Bond_Acceptor_Count	2
118218024	Structure_Complexity	1720
201652	Tautomer_Count	1
11611	Total_Formal_Charge	0
71773	Exact_Mass	499.16984474
5353439	Non-hydrogen_Atom_Count	43
71417	Mono_Isotopic_Weight	313.1557047
11909	Covalent_Unit_Count	1
61622	Total_Formal_Charge	0
547031	Hydrogen_Bond_Donor_Count	2
54315893	Isotope_Atom_Count	0
16129778	Molecular_Weight	1701.2
124449	Structure_Complexity	505
76830	Tautomer_Count	1
23158108	Hydrogen_Bond_Acceptor_Count	1
75345	Defined_Bond_Stereo_Count	0
58516110	Structure_Complexity	685
9296	Undefined_Bond_Stereo_Count	0
11268547	Non-hydrogen_Atom_Count	25
3720856	Mono_Isotopic_Weight	202.04639011
8870	Structure_Complexity	46.1
11309	TPSA	0
8287	Molecular_Weight	362.3
13205764	Defined_Bond_Stereo_Count	0
6507255	Defined_Atom_Stereo_Count	1
70680969	TPSA	66.1
83572	Non-hydrogen_Atom_Count	8
5359371	Total_Formal_Charge	0
349713	Isotope_Atom_Count	0
13385	Rotatable_Bond_Count	0
59830609	XLogP3-AA	4.4
105427064	Molecular_Weight	116.11
15561463	Structure_Complexity	62.7
11534837	Undefined_Bond_Stereo_Count	0
60196409	Molecular_Weight	548.0
3034645	Non-hydrogen_Atom_Count	8
143007	Defined_Bond_Stereo_Count	0
58907754	Defined_Atom_Stereo_Count	6
53426727	Covalent_Unit_Count	1
27135	Hydrogen_Bond_Acceptor_Count	3
23676755	Total_Formal_Charge	0
87661	Mono_Isotopic_Weight	349.22867977
31336	Mono_Isotopic_Weight	352.0713660
19080487	Exact_Mass	98.073164938
100380	Rotatable_Bond_Count	1
5281098	Defined_Bond_Stereo_Count	1
54099616	Total_Formal_Charge	0
107169	Isotope_Atom_Count	0
10772947	Structure_Complexity	133
52939724	Exact_Mass	480.15239891
244030	Isotope_Atom_Count	0
12278591	Non-hydrogen_Atom_Count	7
64948	Molecular_Weight	254.29
78276	Hydrogen_Bond_Donor_Count	0
165708195	Molecular_Weight	110.15
537236	Undefined_Bond_Stereo_Count	0
4205037	Hydrogen_Bond_Acceptor_Count	4
52987646	Mono_Isotopic_Weight	432.3204190
724045	Hydrogen_Bond_Acceptor_Count	4
117852135	Covalent_Unit_Count	1
90420227	Non-hydrogen_Atom_Count	8
3037456	XLogP3-AA	3.2
13029	Mono_Isotopic_Weight	170.0318546
954444	Molecular_Weight	292.2
5284515	Non-hydrogen_Atom_Count	29
89904392	Total_Formal_Charge	0
6432115	Defined_Atom_Stereo_Count	0
15496999	Molecular_Weight	97.12
11995188	Undefined_Bond_Stereo_Count	0
10310138	Structure_Complexity	632
152643	Hydrogen_Bond_Donor_Count	1
6994977	Hydrogen_Bond_Donor_Count	3
54	Hydrogen_Bond_Donor_Count	9
114523	Undefined_Bond_Stereo_Count	0
220001	Covalent_Unit_Count	1
43813	Hydrogen_Bond_Donor_Count	1
137332389	Mono_Isotopic_Weight	1354.567399
10634	Total_Formal_Charge	0
5311309	Total_Formal_Charge	0
23279022	Exact_Mass	102.115698455
54136224	TPSA	41.8
25052023	Isotope_Atom_Count	0
77999	Structure_Complexity	469
69333790	Mono_Isotopic_Weight	113.058911855
6675	Molecular_Weight	515.7
403829	Defined_Bond_Stereo_Count	0
12453026	Isotope_Atom_Count	0
3035240	Rotatable_Bond_Count	3
102004585	Defined_Atom_Stereo_Count	3
825744	Mono_Isotopic_Weight	338.153146591
16156	Structure_Complexity	336
15533	Exact_Mass	402.96055
4437320	Hydrogen_Bond_Acceptor_Count	4
7295	Mono_Isotopic_Weight	107.9978071
6356	Mono_Isotopic_Weight	68.0045147
12943941	Hydrogen_Bond_Acceptor_Count	2
23532160	Undefined_Atom_Stereo_Count	0
100094	Total_Formal_Charge	0
11499204	Rotatable_Bond_Count	0
146887978	Undefined_Atom_Stereo_Count	1
79964	Non-hydrogen_Atom_Count	9
13651	Total_Formal_Charge	0
53967	Mono_Isotopic_Weight	184.08479225
7474	Defined_Atom_Stereo_Count	0
13558	Non-hydrogen_Atom_Count	9
544596	Undefined_Bond_Stereo_Count	0
138005	Total_Formal_Charge	0
10957430	Tautomer_Count	3
53848219	Hydrogen_Bond_Donor_Count	0
41124	Exact_Mass	140.120115130
2724372	Structure_Complexity	412
439517	TPSA	125
82650946	Non-hydrogen_Atom_Count	8
119097554	Structure_Complexity	80.2
120	Defined_Bond_Stereo_Count	0
9832404	Hydrogen_Bond_Donor_Count	10
9962	Molecular_Weight	154.26
23079483	XLogP3-AA	1.9
370	Exact_Mass	170.02152329
83437	Covalent_Unit_Count	1
146367450	Mono_Isotopic_Weight	284.16237386
9931156	Exact_Mass	406.14411864
11349789	Undefined_Atom_Stereo_Count	0
3002003	Isotope_Atom_Count	0
223	Defined_Bond_Stereo_Count	0
57735	Undefined_Bond_Stereo_Count	0
5352728	Non-hydrogen_Atom_Count	10
25780	TPSA	39.7
9103	Structure_Complexity	470
72048	Hydrogen_Bond_Donor_Count	4
803	Isotope_Atom_Count	0
86039889	TPSA	17.1
21470	Defined_Atom_Stereo_Count	2
70723	Hydrogen_Bond_Acceptor_Count	1
5104	Mono_Isotopic_Weight	262.941106
59295974	Non-hydrogen_Atom_Count	38
20684416	Defined_Bond_Stereo_Count	0
18356755	Rotatable_Bond_Count	3
585174	Covalent_Unit_Count	1
91438571	Molecular_Weight	105.14
3040551	Exact_Mass	323.1288213
67482131	XLogP3-AA	1.2
637566	Non-hydrogen_Atom_Count	11
15566624	Hydrogen_Bond_Donor_Count	1
3015773	Non-hydrogen_Atom_Count	7
440192	Undefined_Atom_Stereo_Count	1
6433586	Hydrogen_Bond_Acceptor_Count	20
59154995	Hydrogen_Bond_Acceptor_Count	2
22889103	Isotope_Atom_Count	0
9421	Total_Formal_Charge	0
11544171	Hydrogen_Bond_Donor_Count	2
21407	Hydrogen_Bond_Donor_Count	1
6327350	Rotatable_Bond_Count	4
640308	Tautomer_Count	3
12748956	Hydrogen_Bond_Acceptor_Count	2
6328144	Undefined_Atom_Stereo_Count	0
46898058	TPSA	108
11256720	Total_Formal_Charge	0
8661	Covalent_Unit_Count	3
4468	XLogP3-AA	0.8
572852	Tautomer_Count	3
12570	Structure_Complexity	90.7
68553	TPSA	93.1
9547215	Exact_Mass	386.24570956
786624	Mono_Isotopic_Weight	330.993362
13017	Non-hydrogen_Atom_Count	9
16733194	Undefined_Atom_Stereo_Count	0
954767	Molecular_Weight	279.3
71439018	Isotope_Atom_Count	0
32049	Covalent_Unit_Count	1
289460	Exact_Mass	228.09324893
92840	Mono_Isotopic_Weight	164.083729621
9832750	Molecular_Weight	899.1
440068	XLogP3-AA	5.6
58992	Isotope_Atom_Count	0
98148765	Covalent_Unit_Count	1
27882	Tautomer_Count	1
131414	Defined_Bond_Stereo_Count	0
19879775	XLogP3-AA	2.1
57972066	Exact_Mass	342.11621151
89613815	XLogP3-AA	0.9
6850791	Molecular_Weight	1269.4
78249	Defined_Atom_Stereo_Count	2
65874	Hydrogen_Bond_Acceptor_Count	7
81349	TPSA	32.5
83812	Structure_Complexity	128
12395	Total_Formal_Charge	0
23379007	Undefined_Atom_Stereo_Count	2
87810	Total_Formal_Charge	0
146160332	Isotope_Atom_Count	0
18684667	XLogP3-AA	3.3
138924	TPSA	0
123135747	Defined_Atom_Stereo_Count	2
111037	Tautomer_Count	1
12268510	Undefined_Bond_Stereo_Count	0
21706	Isotope_Atom_Count	0
74031	Non-hydrogen_Atom_Count	12
189782	Hydrogen_Bond_Acceptor_Count	5
10427712	Molecular_Weight	346.3
103609	Molecular_Weight	167.25
4666	Defined_Bond_Stereo_Count	0
9421	Non-hydrogen_Atom_Count	28
80467969	Defined_Bond_Stereo_Count	0
129679806	Exact_Mass	116.047344113
96135	Total_Formal_Charge	0
8548	Exact_Mass	324.183778013
25202562	Exact_Mass	357.958759
8875	Hydrogen_Bond_Donor_Count	1
72736	Rotatable_Bond_Count	12
12500500	Hydrogen_Bond_Donor_Count	0
10877967	Non-hydrogen_Atom_Count	11
54066875	Rotatable_Bond_Count	3
10197668	Mono_Isotopic_Weight	117.078978594
165105	Molecular_Weight	178.14
4374	Molecular_Weight	179.26
69803	Non-hydrogen_Atom_Count	12
21865526	Rotatable_Bond_Count	2
115225	TPSA	32.3
88283211	Hydrogen_Bond_Donor_Count	0
7957	Isotope_Atom_Count	0
46841789	Non-hydrogen_Atom_Count	34
79297905	Molecular_Weight	97.12
80434	Isotope_Atom_Count	0
5804	Covalent_Unit_Count	1
59918	Defined_Bond_Stereo_Count	0
7216	Defined_Atom_Stereo_Count	0
520190	Exact_Mass	290.260965704
1463	Isotope_Atom_Count	0
30815	Exact_Mass	169.0294416
56669107	Defined_Atom_Stereo_Count	0
216262	Hydrogen_Bond_Donor_Count	5
43834223	Undefined_Bond_Stereo_Count	0
61185	Undefined_Atom_Stereo_Count	0
6682	Non-hydrogen_Atom_Count	19
89822	Isotope_Atom_Count	0
3234	Defined_Atom_Stereo_Count	0
11412863	Rotatable_Bond_Count	1
7827	Structure_Complexity	109
53211	Hydrogen_Bond_Donor_Count	6
64646	Molecular_Weight	464.8
135391135	XLogP3-AA	6.8
65924	Covalent_Unit_Count	1
71443	Molecular_Weight	408.09
18622350	Hydrogen_Bond_Donor_Count	0
10087661	Exact_Mass	324.0221037
95512	Structure_Complexity	268
71300746	TPSA	121
60196275	Exact_Mass	426.08043
328257	Non-hydrogen_Atom_Count	7
123934238	Undefined_Atom_Stereo_Count	3
4829	Mono_Isotopic_Weight	356.11946368
438	TPSA	70.4
4557	Rotatable_Bond_Count	9
85822	Mono_Isotopic_Weight	161.05104977
3230	Total_Formal_Charge	0
72849	TPSA	0
352114	Undefined_Atom_Stereo_Count	1
25171876	Molecular_Weight	364.4
15810462	Total_Formal_Charge	0
23721629	TPSA	60.4
54328926	Defined_Bond_Stereo_Count	0
101988841	Exact_Mass	17.0375768735
12302653	Mono_Isotopic_Weight	342.11621151
14889074	Undefined_Bond_Stereo_Count	0
442972	XLogP3-AA	3.5
46934729	Undefined_Atom_Stereo_Count	0
101649230	Undefined_Bond_Stereo_Count	0
20708	Defined_Bond_Stereo_Count	0
82917	Hydrogen_Bond_Acceptor_Count	2
73513	Total_Formal_Charge	0
163640634	Defined_Bond_Stereo_Count	0
496666	TPSA	66.4
285725	Exact_Mass	110.048012819
49853507	Hydrogen_Bond_Acceptor_Count	8
6578	Defined_Bond_Stereo_Count	0
97637	Total_Formal_Charge	0
68595	Exact_Mass	933.56610018
6917715	TPSA	37.3
117	Covalent_Unit_Count	1
9794126	Defined_Bond_Stereo_Count	0
44338970	Molecular_Weight	485.6
95745	Hydrogen_Bond_Acceptor_Count	3
66615627	Molecular_Weight	537.5
19150	Exact_Mass	405.09945651
785244	Defined_Atom_Stereo_Count	2
40496	XLogP3	6.8
40442	Structure_Complexity	275
702186	Defined_Bond_Stereo_Count	0
71253	Hydrogen_Bond_Acceptor_Count	7
54728506	Total_Formal_Charge	0
101165369	Structure_Complexity	415
21575	Mono_Isotopic_Weight	181.03750770
9898440	XLogP3-AA	7.5
20541332	Non-hydrogen_Atom_Count	18
11227182	Molecular_Weight	597.7
11149862	Rotatable_Bond_Count	3
91668194	Molecular_Weight	415.4
30220	Non-hydrogen_Atom_Count	9
67122	TPSA	77.3
37264	Undefined_Atom_Stereo_Count	0
135052535	Exact_Mass	116.047344113
124946	Molecular_Weight	438.4
10986159	Hydrogen_Bond_Donor_Count	1
11953897	Exact_Mass	1322.0938467
72693	Tautomer_Count	24
148191	XLogP3-AA	5.6
763936	Structure_Complexity	208
53167	Isotope_Atom_Count	0
398	Undefined_Bond_Stereo_Count	0
15817	Defined_Bond_Stereo_Count	0
71622	Defined_Atom_Stereo_Count	0
4723	Covalent_Unit_Count	1
14570	Hydrogen_Bond_Acceptor_Count	1
85296	Mono_Isotopic_Weight	147.08301860
10798	Structure_Complexity	75.6
11084068	TPSA	20.2
9693	Rotatable_Bond_Count	4
39929	Mono_Isotopic_Weight	303.901626
91827561	Hydrogen_Bond_Acceptor_Count	18
5479527	Exact_Mass	455.05694025
735940	Hydrogen_Bond_Acceptor_Count	2
6921	Undefined_Atom_Stereo_Count	0
56837137	Covalent_Unit_Count	2
5713976	Defined_Bond_Stereo_Count	1
136307	Molecular_Weight	128.09
6319	Molecular_Weight	260.3
21228	Total_Formal_Charge	0
68668153	XLogP3-AA	2.1
3676	Rotatable_Bond_Count	5
5362736	Isotope_Atom_Count	0
77013	Undefined_Atom_Stereo_Count	0
457035	Defined_Atom_Stereo_Count	0
263	Mono_Isotopic_Weight	74.073164938
71450704	XLogP3-AA	2
44135708	Mono_Isotopic_Weight	190.02420298
10723	XLogP3-AA	1.8
6918026	Hydrogen_Bond_Acceptor_Count	13
5378630	Undefined_Bond_Stereo_Count	0
92915	Isotope_Atom_Count	0
29805	Total_Formal_Charge	0
400189	Undefined_Atom_Stereo_Count	1
19077501	Mono_Isotopic_Weight	390.1258817
69605	Defined_Atom_Stereo_Count	0
5384200	Undefined_Atom_Stereo_Count	0
2775641	Non-hydrogen_Atom_Count	8
11824	Mono_Isotopic_Weight	291.09675391
18506428	Hydrogen_Bond_Donor_Count	2
37768	Isotope_Atom_Count	0
11510	Hydrogen_Bond_Acceptor_Count	3
87298	Structure_Complexity	124
135491728	Hydrogen_Bond_Donor_Count	1
45266908	Rotatable_Bond_Count	9
688586	Exact_Mass	244.03472857
558206	Defined_Bond_Stereo_Count	0
68976	Molecular_Weight	153.95
738541	Isotope_Atom_Count	0
105426925	TPSA	23.8
32423	TPSA	73.2
24768019	Undefined_Atom_Stereo_Count	0
60196365	Undefined_Atom_Stereo_Count	1
53702849	Total_Formal_Charge	0
446155	Non-hydrogen_Atom_Count	30
12688299	Defined_Bond_Stereo_Count	0
70697365	Undefined_Atom_Stereo_Count	0
295965	Defined_Atom_Stereo_Count	0
2827646	Undefined_Bond_Stereo_Count	0
122639	Tautomer_Count	36
22033763	Mono_Isotopic_Weight	98.036779430
9877343	Hydrogen_Bond_Donor_Count	0
53297469	Rotatable_Bond_Count	4
90479	Covalent_Unit_Count	1
14058558	Mono_Isotopic_Weight	346.23080839
21715587	Mono_Isotopic_Weight	110.048012819
74229	Defined_Atom_Stereo_Count	0
68255	Non-hydrogen_Atom_Count	9
22169421	XLogP3-AA	6
820051	Non-hydrogen_Atom_Count	12
44395035	XLogP3-AA	4.9
131668620	Undefined_Bond_Stereo_Count	5
4693	Structure_Complexity	1440
12308	TPSA	20.2
9870185	Hydrogen_Bond_Acceptor_Count	5
10197622	Exact_Mass	87.068413911
7496	XLogP3-AA	3.7
44668	Non-hydrogen_Atom_Count	17
9005	Rotatable_Bond_Count	3
6364575	Mono_Isotopic_Weight	388.1706265
66030	Structure_Complexity	182
5287705	Undefined_Atom_Stereo_Count	0
675901	Rotatable_Bond_Count	3
71459116	Total_Formal_Charge	0
136229126	Exact_Mass	206.17427596
19507	Mono_Isotopic_Weight	125.084063974
9949641	Covalent_Unit_Count	1
146158506	Covalent_Unit_Count	1
44246724	Total_Formal_Charge	0
11594328	TPSA	58.7
5368831	Tautomer_Count	1
111314	Defined_Bond_Stereo_Count	0
19259	Undefined_Atom_Stereo_Count	0
443868	Molecular_Weight	528.0
22833326	Exact_Mass	446.33960994
48558	Undefined_Bond_Stereo_Count	0
94355	Isotope_Atom_Count	0
45157716	Defined_Bond_Stereo_Count	0
20678	Rotatable_Bond_Count	1
7048533	Exact_Mass	299.04501564
75674	Hydrogen_Bond_Donor_Count	0
121489349	Molecular_Weight	2013.3
904857	Tautomer_Count	1
76223940	Undefined_Bond_Stereo_Count	0
69110	Rotatable_Bond_Count	1
6433091	Isotope_Atom_Count	0
23519852	Covalent_Unit_Count	1
32350	Undefined_Atom_Stereo_Count	0
573470	Undefined_Atom_Stereo_Count	0
6917697	Covalent_Unit_Count	2
15620	Structure_Complexity	27.4
37467	Non-hydrogen_Atom_Count	18
5367854	Undefined_Bond_Stereo_Count	0
32439	Defined_Atom_Stereo_Count	0
153	Total_Formal_Charge	0
549482	TPSA	17.1
3017	Hydrogen_Bond_Acceptor_Count	6
286	Total_Formal_Charge	0
5288319	Molecular_Weight	157.25
5353831	Hydrogen_Bond_Donor_Count	2
9810771	Total_Formal_Charge	0
54120	Total_Formal_Charge	0
9548696	Molecular_Weight	52.07
4125253	Rotatable_Bond_Count	11
11063855	Hydrogen_Bond_Donor_Count	2
148673	Hydrogen_Bond_Acceptor_Count	6
134688803	Undefined_Bond_Stereo_Count	0
25110841	Mono_Isotopic_Weight	551.1291086
87645235	Defined_Atom_Stereo_Count	0
90202	Undefined_Bond_Stereo_Count	0
156693	Hydrogen_Bond_Donor_Count	2
135409400	Total_Formal_Charge	0
7248	Mono_Isotopic_Weight	121.089149355
5231957	Hydrogen_Bond_Donor_Count	2
107735	Hydrogen_Bond_Acceptor_Count	3
13440628	Mono_Isotopic_Weight	115.063328530
24832095	Total_Formal_Charge	0
3648	Undefined_Atom_Stereo_Count	4
135444614	Non-hydrogen_Atom_Count	26
70683717	Undefined_Bond_Stereo_Count	0
10678204	Non-hydrogen_Atom_Count	8
59058905	Hydrogen_Bond_Donor_Count	0
20431	Undefined_Atom_Stereo_Count	0
9901	Covalent_Unit_Count	1
47118	TPSA	0
91170688	TPSA	60.7
6326719	Defined_Atom_Stereo_Count	5
90248267	Molecular_Weight	102.14
60956	Non-hydrogen_Atom_Count	38
21894213	Mono_Isotopic_Weight	199.12084340
66191	Non-hydrogen_Atom_Count	9
24977371	Non-hydrogen_Atom_Count	8
28430	Isotope_Atom_Count	0
4070	Structure_Complexity	66.6
6325382	Covalent_Unit_Count	1
10645	Exact_Mass	332.1113975
24180719	Mono_Isotopic_Weight	413.0412465
20913	Undefined_Atom_Stereo_Count	0
448258	TPSA	67.9
72999858	Mono_Isotopic_Weight	458.30322444
1519404	Total_Formal_Charge	0
2981	XLogP3	2.7
10452	Undefined_Atom_Stereo_Count	0
11961423	Hydrogen_Bond_Acceptor_Count	2
6436173	Covalent_Unit_Count	1
31276	Isotope_Atom_Count	0
108182	Non-hydrogen_Atom_Count	21
60207729	Hydrogen_Bond_Acceptor_Count	4
91770	Total_Formal_Charge	0
25960	Tautomer_Count	1
4659569	Molecular_Weight	273.24
74141	TPSA	75.7
3793939	Molecular_Weight	202.00
12096001	Defined_Bond_Stereo_Count	2
23355	Tautomer_Count	10
65662	Mono_Isotopic_Weight	267.125928785
6358	Total_Formal_Charge	0
139042762	Defined_Bond_Stereo_Count	0
55244	Undefined_Atom_Stereo_Count	0
776461	Total_Formal_Charge	0
893947	Exact_Mass	253.0669699
8086	Hydrogen_Bond_Acceptor_Count	3
521459	Non-hydrogen_Atom_Count	4
424893	Structure_Complexity	751
2250	Defined_Bond_Stereo_Count	0
71356052	Covalent_Unit_Count	1
6708773	Hydrogen_Bond_Acceptor_Count	4
19951	Undefined_Atom_Stereo_Count	0
75530159	Isotope_Atom_Count	0
62466	Defined_Bond_Stereo_Count	0
9855455	Mono_Isotopic_Weight	101.047678466
2921148	Isotope_Atom_Count	0
57369411	Defined_Bond_Stereo_Count	0
9578	Exact_Mass	245.91035
65482	Hydrogen_Bond_Donor_Count	6
154202106	Undefined_Bond_Stereo_Count	0
19083150	Rotatable_Bond_Count	0
13389335	Non-hydrogen_Atom_Count	16
5282547	Hydrogen_Bond_Donor_Count	1
73082918	Structure_Complexity	811
2733244	Structure_Complexity	108
7122	Isotope_Atom_Count	0
60946	Hydrogen_Bond_Acceptor_Count	8
98181815	TPSA	57.2
163994814	TPSA	59.4
94603	Molecular_Weight	230.3
57647726	Exact_Mass	324.183778013
53803945	Non-hydrogen_Atom_Count	8
1115	Undefined_Atom_Stereo_Count	9
159609	Structure_Complexity	93.7
6148	Molecular_Weight	275.4
701621	Hydrogen_Bond_Donor_Count	1
152257	Mono_Isotopic_Weight	201.151749610
440068	Exact_Mass	434.24334058
22221739	Exact_Mass	98.036779430
57429842	Molecular_Weight	114.14
57395978	Covalent_Unit_Count	1
1574	TPSA	62
91412269	Structure_Complexity	262
16726630	Defined_Atom_Stereo_Count	0
7543	Defined_Atom_Stereo_Count	0
44392161	Non-hydrogen_Atom_Count	34
141169621	Rotatable_Bond_Count	0
13037934	Undefined_Atom_Stereo_Count	2
25001002	Rotatable_Bond_Count	12
16741878	Exact_Mass	603.32839138
15786916	Non-hydrogen_Atom_Count	3
12940550	Rotatable_Bond_Count	2
141315890	TPSA	30.8
20055423	Defined_Atom_Stereo_Count	8
91980486	Defined_Bond_Stereo_Count	0
45359105	Defined_Atom_Stereo_Count	0
21924633	Mono_Isotopic_Weight	98.073164938
2073	Total_Formal_Charge	0
12642439	Tautomer_Count	1
60196441	Undefined_Atom_Stereo_Count	0
58305	Defined_Atom_Stereo_Count	0
104748	Structure_Complexity	24.8
124600	Rotatable_Bond_Count	4
11742188	Hydrogen_Bond_Acceptor_Count	5
143466591	Defined_Atom_Stereo_Count	0
87280117	TPSA	58.9
3310	Molecular_Weight	588.6
6919026	Defined_Atom_Stereo_Count	1
79316	Structure_Complexity	245
71743826	Rotatable_Bond_Count	1
6363	XLogP3-AA	0.1
141691	Isotope_Atom_Count	0
14809953	Hydrogen_Bond_Acceptor_Count	1
179832	Non-hydrogen_Atom_Count	8
137426	Hydrogen_Bond_Acceptor_Count	1
55285	Hydrogen_Bond_Acceptor_Count	4
90657410	Covalent_Unit_Count	1
19604274	Structure_Complexity	267
88794	Defined_Bond_Stereo_Count	0
71945	Tautomer_Count	1
122451302	Exact_Mass	416.32904526
89921642	Hydrogen_Bond_Acceptor_Count	15
5547	Defined_Bond_Stereo_Count	0
8351	Undefined_Atom_Stereo_Count	0
20519788	Covalent_Unit_Count	1
61024	Tautomer_Count	1
76988	Hydrogen_Bond_Acceptor_Count	1
70430	Isotope_Atom_Count	0
157820065	XLogP3-AA	2.5
631271	Mono_Isotopic_Weight	344.10956770
631047	Undefined_Bond_Stereo_Count	1
135565042	Non-hydrogen_Atom_Count	29
9898801	Defined_Bond_Stereo_Count	0
19906389	Molecular_Weight	115.17
9601349	Isotope_Atom_Count	0
145842551	Structure_Complexity	114
3033538	Undefined_Bond_Stereo_Count	0
10408902	Defined_Atom_Stereo_Count	0
16135415	Hydrogen_Bond_Acceptor_Count	46
117736505	XLogP3-AA	1.6
102093221	Hydrogen_Bond_Donor_Count	3
21579161	Isotope_Atom_Count	0
61680	Defined_Bond_Stereo_Count	0
20593561	Covalent_Unit_Count	1
118435360	Structure_Complexity	676
69674285	Molecular_Weight	112.17
282	Hydrogen_Bond_Acceptor_Count	4
20474	Structure_Complexity	107
11482181	Defined_Bond_Stereo_Count	0
3047787	Undefined_Bond_Stereo_Count	0
16415729	Non-hydrogen_Atom_Count	18
8014	Non-hydrogen_Atom_Count	5
141849	Undefined_Bond_Stereo_Count	0
95982	Defined_Atom_Stereo_Count	0
5289205	Defined_Atom_Stereo_Count	5
54949	Defined_Bond_Stereo_Count	0
10994	Structure_Complexity	104
9548802	Defined_Bond_Stereo_Count	0
18505590	Hydrogen_Bond_Acceptor_Count	3
80865	Hydrogen_Bond_Donor_Count	0
911023	Mono_Isotopic_Weight	228.126263138
721137	Covalent_Unit_Count	1
53924211	Molecular_Weight	112.09
154101	TPSA	38.3
72941511	TPSA	290
5002	Rotatable_Bond_Count	6
123539309	Hydrogen_Bond_Donor_Count	0
54303301	Structure_Complexity	70.1
62656	Hydrogen_Bond_Acceptor_Count	1
39722	Molecular_Weight	255.74
92251	Hydrogen_Bond_Acceptor_Count	2
107045	Hydrogen_Bond_Acceptor_Count	4
21498	Tautomer_Count	10
6515	Undefined_Atom_Stereo_Count	0
210328	TPSA	101
65774	Rotatable_Bond_Count	1
16040270	Exact_Mass	194.134502709
3296738	XLogP3-AA	2.4
134695356	Non-hydrogen_Atom_Count	52
164946899	Defined_Bond_Stereo_Count	1
37678	Molecular_Weight	350.5
133108869	Structure_Complexity	133
77266	Exact_Mass	421.0679680
69498345	Defined_Bond_Stereo_Count	0
145721938	Mono_Isotopic_Weight	589.14023
90997437	Structure_Complexity	688
5284329	Mono_Isotopic_Weight	520.25867428
16073666	Molecular_Weight	650.8
1548955	Defined_Bond_Stereo_Count	1
148546155	TPSA	64.9
11727234	Rotatable_Bond_Count	1
513337	Hydrogen_Bond_Donor_Count	8
83996	Isotope_Atom_Count	0
57353643	Molecular_Weight	317.4
23029	TPSA	0
174240	Hydrogen_Bond_Donor_Count	1
6535	Undefined_Bond_Stereo_Count	0
6436223	Defined_Bond_Stereo_Count	4
92943	Isotope_Atom_Count	0
57082085	Isotope_Atom_Count	0
28749	Tautomer_Count	2
32966	Undefined_Bond_Stereo_Count	0
147059143	Total_Formal_Charge	0
52291	Hydrogen_Bond_Acceptor_Count	1
12869962	Isotope_Atom_Count	0
737157	Molecular_Weight	193.16
118654527	Non-hydrogen_Atom_Count	20
44119602	Undefined_Bond_Stereo_Count	0
9549213	Tautomer_Count	3
11721	Hydrogen_Bond_Donor_Count	0
7959	Defined_Atom_Stereo_Count	0
65015	Non-hydrogen_Atom_Count	36
2795887	Molecular_Weight	110.11
3081	Defined_Atom_Stereo_Count	0
130553	Total_Formal_Charge	0
6710664	Structure_Complexity	540
22763696	Hydrogen_Bond_Acceptor_Count	2
102358067	TPSA	50.8
101080369	Undefined_Bond_Stereo_Count	0
920954	Rotatable_Bond_Count	2
72301	Structure_Complexity	475
214350	Covalent_Unit_Count	1
5319249	Isotope_Atom_Count	0
57053963	Covalent_Unit_Count	1
13248583	Non-hydrogen_Atom_Count	8
26945	Undefined_Atom_Stereo_Count	0
11399764	TPSA	139
566136	Mono_Isotopic_Weight	112.088815002
84975	Structure_Complexity	40.2
14529	Isotope_Atom_Count	0
146480	Exact_Mass	148.06703418
25079036	Structure_Complexity	2760
34481	XLogP3-AA	4.1
15456	Molecular_Weight	275.28
516644	TPSA	30.3
11654876	Mono_Isotopic_Weight	430.20049070
440064	Defined_Atom_Stereo_Count	2
447180	Covalent_Unit_Count	1
148184	TPSA	46.1
71362	Non-hydrogen_Atom_Count	96
5367706	XLogP3	4
26979	Isotope_Atom_Count	0
22747783	Structure_Complexity	90.2
71740	Non-hydrogen_Atom_Count	26
4033	Hydrogen_Bond_Acceptor_Count	1
13192443	Hydrogen_Bond_Acceptor_Count	2
136101	Structure_Complexity	76.2
25072736	Total_Formal_Charge	0
20056682	Rotatable_Bond_Count	8
118209567	Isotope_Atom_Count	0
83971	Mono_Isotopic_Weight	892.47801345
6602103	Total_Formal_Charge	0
130122663	Mono_Isotopic_Weight	109.052763847
8805	Covalent_Unit_Count	1
193168	Hydrogen_Bond_Donor_Count	2
114750	Defined_Atom_Stereo_Count	3
81080	Isotope_Atom_Count	0
11906	Undefined_Bond_Stereo_Count	0
57082	Covalent_Unit_Count	1
15558642	Rotatable_Bond_Count	5
1718	XLogP3-AA	1
5859	Defined_Bond_Stereo_Count	0
12749	Mono_Isotopic_Weight	82.053098200
160439	Hydrogen_Bond_Acceptor_Count	2
5464186	Undefined_Atom_Stereo_Count	0
1800	Exact_Mass	161.082721304
132584645	TPSA	43.4
10058531	Hydrogen_Bond_Donor_Count	2
10688007	Hydrogen_Bond_Acceptor_Count	4
916	Non-hydrogen_Atom_Count	17
444254	TPSA	321
643732	TPSA	74.6
16659841	Hydrogen_Bond_Donor_Count	3
3828	Undefined_Atom_Stereo_Count	0
18517524	Mono_Isotopic_Weight	433.928234
101658	Rotatable_Bond_Count	2
86014	Exact_Mass	96.093900383
6851	TPSA	152
134	Hydrogen_Bond_Acceptor_Count	2
11275562	Hydrogen_Bond_Acceptor_Count	9
3262018	Hydrogen_Bond_Acceptor_Count	3
12472902	Non-hydrogen_Atom_Count	18
13792372	Mono_Isotopic_Weight	102.068079557
20708	Isotope_Atom_Count	0
18170	TPSA	49.1
48845	Exact_Mass	354.19434270
135532293	TPSA	106
56680336	XLogP3-AA	3.7
409453	Covalent_Unit_Count	1
12300006	Non-hydrogen_Atom_Count	39
136703	Isotope_Atom_Count	0
9827982	Molecular_Weight	518.9
70682212	Rotatable_Bond_Count	4
8698	Defined_Atom_Stereo_Count	0
6923	Mono_Isotopic_Weight	150.104465066
121945	Defined_Bond_Stereo_Count	0
5113032	Tautomer_Count	160
119242	Total_Formal_Charge	0
573744	Hydrogen_Bond_Donor_Count	1
85904461	Undefined_Atom_Stereo_Count	4
25749227	Undefined_Bond_Stereo_Count	0
31448	Total_Formal_Charge	0
136045807	Undefined_Atom_Stereo_Count	0
5293	Defined_Atom_Stereo_Count	0
13170124	Isotope_Atom_Count	0
66304	Tautomer_Count	1
17533	Total_Formal_Charge	0
14897383	Defined_Atom_Stereo_Count	0
21698764	Non-hydrogen_Atom_Count	8
109022	Hydrogen_Bond_Donor_Count	3
94179	Hydrogen_Bond_Acceptor_Count	3
44576048	Hydrogen_Bond_Donor_Count	2
1069189	Defined_Bond_Stereo_Count	0
90708518	Defined_Bond_Stereo_Count	0
94706	Covalent_Unit_Count	1
78961	Hydrogen_Bond_Acceptor_Count	0
84398	Rotatable_Bond_Count	2
137704528	Defined_Atom_Stereo_Count	1
127748	Mono_Isotopic_Weight	386.09027155
48188	Total_Formal_Charge	0
153830378	Defined_Atom_Stereo_Count	0
11623676	Mono_Isotopic_Weight	305.152812238
101219	Hydrogen_Bond_Acceptor_Count	2
68363	TPSA	59
13244490	Undefined_Atom_Stereo_Count	0
62418	Hydrogen_Bond_Acceptor_Count	3
87985965	Non-hydrogen_Atom_Count	8
51138321	Molecular_Weight	106.13
866	Hydrogen_Bond_Acceptor_Count	4
11768526	Defined_Atom_Stereo_Count	0
14782	TPSA	17.1
222155	Molecular_Weight	548.7
7021156	Molecular_Weight	118.17
2779031	Structure_Complexity	237
53232451	Total_Formal_Charge	0
15900	Covalent_Unit_Count	1
91168430	Hydrogen_Bond_Acceptor_Count	2
12400910	Hydrogen_Bond_Donor_Count	0
9375	Hydrogen_Bond_Donor_Count	2
104746	Tautomer_Count	2
4392	Molecular_Weight	344.26
45358180	TPSA	222
9942133	Structure_Complexity	101
68547	Defined_Atom_Stereo_Count	0
12938	Non-hydrogen_Atom_Count	25
97050130	Molecular_Weight	342.30
21973740	Undefined_Bond_Stereo_Count	0
1740	Molecular_Weight	187.08
11701	Structure_Complexity	159
89742272	Isotope_Atom_Count	0
67379186	Undefined_Atom_Stereo_Count	0
97006	Tautomer_Count	2
56658438	Rotatable_Bond_Count	10
12127	Defined_Bond_Stereo_Count	0
4015	Molecular_Weight	299.32
21718270	TPSA	63.4
23257217	Non-hydrogen_Atom_Count	17
6913185	Exact_Mass	400.0381477
4698	XLogP3-AA	3.6
16760159	Tautomer_Count	3
6920143	Defined_Atom_Stereo_Count	1
142809	Covalent_Unit_Count	1
60946	Structure_Complexity	579
58606855	Hydrogen_Bond_Donor_Count	0
24749711	Covalent_Unit_Count	1
398721	Non-hydrogen_Atom_Count	20
5281033	Isotope_Atom_Count	0
80519	Rotatable_Bond_Count	1
26514	Hydrogen_Bond_Acceptor_Count	2
22224160	Structure_Complexity	151
69341756	Molecular_Weight	113.11
2951	Undefined_Bond_Stereo_Count	1
98051220	Mono_Isotopic_Weight	361.875716
10931374	Defined_Bond_Stereo_Count	0
11546947	Molecular_Weight	453.0
54518010	Covalent_Unit_Count	1
832	Defined_Bond_Stereo_Count	0
6441283	Structure_Complexity	1410
17349	Defined_Bond_Stereo_Count	0
6411	Molecular_Weight	112.11
22137188	Total_Formal_Charge	0
1497794	XLogP3-AA	2
471583	Structure_Complexity	341
13144653	Defined_Bond_Stereo_Count	0
95070	Covalent_Unit_Count	1
846942	Isotope_Atom_Count	0
71172	Hydrogen_Bond_Acceptor_Count	4
3095	Exact_Mass	377.19909372
54372438	XLogP3-AA	0.3
54224045	Structure_Complexity	40.7
195	Total_Formal_Charge	0
3257	Undefined_Bond_Stereo_Count	0
448925	TPSA	190
21026	Isotope_Atom_Count	0
11381	Defined_Atom_Stereo_Count	0
11140632	Total_Formal_Charge	0
699570	Hydrogen_Bond_Acceptor_Count	4
176505	Undefined_Atom_Stereo_Count	2
11269429	Non-hydrogen_Atom_Count	29
13661	Defined_Atom_Stereo_Count	0
5451	TPSA	327
168131	Defined_Atom_Stereo_Count	0
153386860	Molecular_Weight	110.15
71782	Total_Formal_Charge	0
42076	XLogP3-AA	5.4
13734208	Tautomer_Count	1
94785	Defined_Atom_Stereo_Count	0
5370325	Isotope_Atom_Count	0
54370822	Defined_Bond_Stereo_Count	0
4993182	Hydrogen_Bond_Donor_Count	3
30623	Rotatable_Bond_Count	3
71663312	Mono_Isotopic_Weight	540.1728319
121410806	Structure_Complexity	746
89805	Non-hydrogen_Atom_Count	12
173	Hydrogen_Bond_Acceptor_Count	4
7626	Undefined_Atom_Stereo_Count	0
20387237	Structure_Complexity	62.6
140152057	Defined_Atom_Stereo_Count	0
139060478	Molecular_Weight	583.0
15129466	Defined_Atom_Stereo_Count	0
88300	Exact_Mass	296.19875937
166931	Mono_Isotopic_Weight	47.976501649
6914	Tautomer_Count	1
44864	Defined_Atom_Stereo_Count	0
21466713	Hydrogen_Bond_Donor_Count	1
708614	Total_Formal_Charge	0
88100859	Isotope_Atom_Count	0
10886	TPSA	26.3
56670160	Undefined_Bond_Stereo_Count	0
2810830	Structure_Complexity	611
72370	XLogP3-AA	5.7
5478986	Defined_Bond_Stereo_Count	0
566069	Defined_Bond_Stereo_Count	0
19927	Non-hydrogen_Atom_Count	7
123799979	Total_Formal_Charge	0
8718	Hydrogen_Bond_Acceptor_Count	2
16219371	Undefined_Atom_Stereo_Count	5
2736548	TPSA	17.1
50988819	XLogP3-AA	4.5
129769827	TPSA	38.4
66684386	Molecular_Weight	349.4
13908	Defined_Atom_Stereo_Count	0
158524	Exact_Mass	280.240230259
40784491	Non-hydrogen_Atom_Count	11
153903	Molecular_Weight	110.11
45167	Rotatable_Bond_Count	4
67535	Exact_Mass	189.078978594
6429274	Undefined_Bond_Stereo_Count	0
11040399	Covalent_Unit_Count	1
10284	Exact_Mass	145.052763847
9814448	Undefined_Bond_Stereo_Count	0
71307528	XLogP3-AA	4.2
67950444	Covalent_Unit_Count	1
22222161	Isotope_Atom_Count	0
57392872	Rotatable_Bond_Count	6
9892481	Undefined_Atom_Stereo_Count	0
84647603	Defined_Bond_Stereo_Count	0
93513	Undefined_Bond_Stereo_Count	0
65246	Covalent_Unit_Count	1
6327109	Undefined_Atom_Stereo_Count	0
3045335	Defined_Atom_Stereo_Count	0
58270050	Exact_Mass	111.068413911
5585	Hydrogen_Bond_Donor_Count	0
14453670	TPSA	20.2
7006711	XLogP3	0.1
535532	Undefined_Bond_Stereo_Count	0
139079642	Hydrogen_Bond_Acceptor_Count	1
45484184	TPSA	99.8
99922	Hydrogen_Bond_Donor_Count	1
53981464	Rotatable_Bond_Count	2
59144	Structure_Complexity	207
575609	Total_Formal_Charge	0
6328234	Hydrogen_Bond_Donor_Count	0
55478	Non-hydrogen_Atom_Count	26
138564	Covalent_Unit_Count	1
5464097	Molecular_Weight	402.5
6453	Structure_Complexity	400
11983362	TPSA	76.2
14454747	Non-hydrogen_Atom_Count	7
7259	Exact_Mass	121.089149355
14794988	Molecular_Weight	111.15
7436	Rotatable_Bond_Count	3
9376	Rotatable_Bond_Count	5
9570639	Non-hydrogen_Atom_Count	28
20134527	Hydrogen_Bond_Donor_Count	0
72121	Mono_Isotopic_Weight	308.17494466
135430970	Exact_Mass	532.19827947
13187	Undefined_Bond_Stereo_Count	0
3647	Undefined_Bond_Stereo_Count	0
91936863	Undefined_Atom_Stereo_Count	0
1755	Non-hydrogen_Atom_Count	15
17607	Undefined_Bond_Stereo_Count	0
8834	Total_Formal_Charge	0
71333816	Isotope_Atom_Count	0
33097	Undefined_Bond_Stereo_Count	0
19095	Molecular_Weight	494.5
11229	Exact_Mass	100.125200510
160419	Rotatable_Bond_Count	1
53898601	Covalent_Unit_Count	1
20680	Exact_Mass	130.110613074
102213	Defined_Bond_Stereo_Count	0
14753032	Hydrogen_Bond_Acceptor_Count	6
3365	Undefined_Atom_Stereo_Count	0
9955836	Defined_Bond_Stereo_Count	0
756126	Undefined_Atom_Stereo_Count	0
356	Structure_Complexity	25
454386	Structure_Complexity	484
42000	Non-hydrogen_Atom_Count	18
16971	Isotope_Atom_Count	0
3073200	Molecular_Weight	246.21
523251	Undefined_Atom_Stereo_Count	0
93	Molecular_Weight	160.12
91711338	Total_Formal_Charge	0
13860601	Isotope_Atom_Count	0
123816513	Hydrogen_Bond_Donor_Count	1
10282517	Defined_Atom_Stereo_Count	0
19935257	Hydrogen_Bond_Donor_Count	2
71270	Total_Formal_Charge	0
57390699	Undefined_Atom_Stereo_Count	0
23545756	TPSA	24.4
4906	Non-hydrogen_Atom_Count	16
43102	Hydrogen_Bond_Acceptor_Count	2
60168097	Hydrogen_Bond_Donor_Count	0
12241083	XLogP3-AA	2.9
5547	Mono_Isotopic_Weight	478.34469533
90479783	Non-hydrogen_Atom_Count	29
148139	Isotope_Atom_Count	0
829002	Defined_Atom_Stereo_Count	1
52914324	Exact_Mass	650.33156444
2775316	Hydrogen_Bond_Donor_Count	0
25150857	Defined_Bond_Stereo_Count	0
85944	Non-hydrogen_Atom_Count	11
20632752	Rotatable_Bond_Count	4
8153	Isotope_Atom_Count	0
2354	TPSA	137
285106	Undefined_Bond_Stereo_Count	0
643327	TPSA	57.5
2761399	Non-hydrogen_Atom_Count	8
1781	Total_Formal_Charge	0
145640699	Total_Formal_Charge	0
11167	Defined_Bond_Stereo_Count	0
65493	Defined_Atom_Stereo_Count	0
10297818	Undefined_Atom_Stereo_Count	0
19747	Mono_Isotopic_Weight	391.1714350
66753191	Undefined_Bond_Stereo_Count	1
6407	TPSA	17.1
18727536	Undefined_Atom_Stereo_Count	0
57229116	Undefined_Bond_Stereo_Count	0
73986	Total_Formal_Charge	0
57389999	Total_Formal_Charge	0
13265823	Molecular_Weight	106.12
47316	Rotatable_Bond_Count	6
86399	Non-hydrogen_Atom_Count	14
909	TPSA	113
70684819	Defined_Atom_Stereo_Count	0
24623	Tautomer_Count	1
6436158	Structure_Complexity	1360
517165	Undefined_Atom_Stereo_Count	0
13031981	Exact_Mass	101.084063974
643216	Hydrogen_Bond_Acceptor_Count	3
125127451	Defined_Bond_Stereo_Count	5
139075879	Undefined_Bond_Stereo_Count	0
14410	Undefined_Bond_Stereo_Count	0
20192394	Non-hydrogen_Atom_Count	13
68901	Rotatable_Bond_Count	3
7421	Mono_Isotopic_Weight	137.084063974
44475990	Mono_Isotopic_Weight	522.20626205
4714721	Mono_Isotopic_Weight	112.052429494
12304	Hydrogen_Bond_Donor_Count	0
11350	Hydrogen_Bond_Donor_Count	2
2077	XLogP3-AA	2.1
54307258	Non-hydrogen_Atom_Count	7
54738	Undefined_Bond_Stereo_Count	0
4953	Tautomer_Count	40
339496	Mono_Isotopic_Weight	279.92326
85694	Defined_Atom_Stereo_Count	0
312666	Mono_Isotopic_Weight	100.063662883
8393	Undefined_Atom_Stereo_Count	0
60105598	Hydrogen_Bond_Donor_Count	5
45479834	Defined_Bond_Stereo_Count	0
3082654	Total_Formal_Charge	0
10486805	Defined_Atom_Stereo_Count	0
16836	Rotatable_Bond_Count	4
59174488	Exact_Mass	423.17066774
16957	Molecular_Weight	406.5
13608	Defined_Atom_Stereo_Count	0
13245088	Mono_Isotopic_Weight	114.068079557
52950190	TPSA	102
5361848	Molecular_Weight	383.4
34755	Exact_Mass	398.13723900
156588151	Total_Formal_Charge	0
2572	Mono_Isotopic_Weight	175.08445790
65238	Defined_Bond_Stereo_Count	0
83167	Mono_Isotopic_Weight	209.04365571
40926	Covalent_Unit_Count	1
535480	Rotatable_Bond_Count	2
20224712	Undefined_Atom_Stereo_Count	0
78138	Total_Formal_Charge	0
129195194	Molecular_Weight	114.15
140377273	Defined_Bond_Stereo_Count	0
2982	Structure_Complexity	643
71624345	XLogP3-AA	1.6
45263503	TPSA	64.6
151896	Covalent_Unit_Count	2
48955	Rotatable_Bond_Count	10
866	Defined_Atom_Stereo_Count	0
10071747	XLogP3-AA	3
14791281	Molecular_Weight	180.24
68888	XLogP3-AA	0.8
80009	Non-hydrogen_Atom_Count	7
3224	Isotope_Atom_Count	0
119097281	Covalent_Unit_Count	1
49	TPSA	54.4
7212	Structure_Complexity	105
8565	Undefined_Bond_Stereo_Count	0
9304	Structure_Complexity	300
17652	Molecular_Weight	153.18
9819356	XLogP3-AA	4.5
71128	Exact_Mass	325.204179104
2244	Molecular_Weight	180.16
71697	Rotatable_Bond_Count	5
12617365	Structure_Complexity	643
6712744	Hydrogen_Bond_Acceptor_Count	6
4778	Exact_Mass	167.955634
42201	Hydrogen_Bond_Acceptor_Count	4
15547703	Hydrogen_Bond_Acceptor_Count	6
5388936	Defined_Bond_Stereo_Count	0
91759533	Covalent_Unit_Count	1
12302651	Isotope_Atom_Count	0
41017	Molecular_Weight	211.5
5249	Total_Formal_Charge	0
12285822	Undefined_Bond_Stereo_Count	0
20396384	Hydrogen_Bond_Donor_Count	1
3649	Defined_Atom_Stereo_Count	0
15016062	Defined_Bond_Stereo_Count	0
22047	Non-hydrogen_Atom_Count	23
53877022	Hydrogen_Bond_Donor_Count	0
57659	Undefined_Atom_Stereo_Count	0
704754	Rotatable_Bond_Count	3
11286453	XLogP3-AA	0.2
12344	Mono_Isotopic_Weight	130.099379685
9844194	Isotope_Atom_Count	0
78358496	Hydrogen_Bond_Acceptor_Count	11
101946434	TPSA	0
2795218	Hydrogen_Bond_Donor_Count	1
13772685	Defined_Atom_Stereo_Count	0
164486	Structure_Complexity	248
10154	Structure_Complexity	461
71583377	Undefined_Atom_Stereo_Count	0
4809	XLogP3-AA	2.8
13885286	Covalent_Unit_Count	1
53759081	Defined_Atom_Stereo_Count	0
3890	Mono_Isotopic_Weight	432.28757437
85983	Total_Formal_Charge	0
81767	XLogP3-AA	0.4
4353	Exact_Mass	136.94763
57400037	Exact_Mass	434.05538
12867	Covalent_Unit_Count	1
146681133	Defined_Atom_Stereo_Count	0
8076	Covalent_Unit_Count	1
66051	Isotope_Atom_Count	0
4618	Defined_Atom_Stereo_Count	0
90473211	Total_Formal_Charge	0
18126	XLogP3	3
6763	Exact_Mass	208.052429494
161122	Molecular_Weight	137.12
16682740	Non-hydrogen_Atom_Count	17
9985155	Hydrogen_Bond_Donor_Count	0
7017	Molecular_Weight	170.21
4059	Mono_Isotopic_Weight	182.094294304
61030	Structure_Complexity	132
3510569	Undefined_Atom_Stereo_Count	0
2099	Non-hydrogen_Atom_Count	22
289031	Hydrogen_Bond_Acceptor_Count	7
61453	Non-hydrogen_Atom_Count	11
1070	Structure_Complexity	522
123911014	Undefined_Atom_Stereo_Count	0
88951	Covalent_Unit_Count	1
118210244	Hydrogen_Bond_Donor_Count	0
160139	Defined_Atom_Stereo_Count	3
5351197	TPSA	3.2
24901347	Mono_Isotopic_Weight	463.19296297
135594055	Molecular_Weight	341.8
10486805	Mono_Isotopic_Weight	100.063662883
5463134	Exact_Mass	100.052429494
53921772	Exact_Mass	116.047344113
123550154	Structure_Complexity	562
448372	Non-hydrogen_Atom_Count	15
18593	TPSA	60.2
543882	Isotope_Atom_Count	0
739236	Structure_Complexity	236
4054	Structure_Complexity	240
72200668	Molecular_Weight	317.36
2017	Structure_Complexity	312
4479095	Defined_Bond_Stereo_Count	0
13015037	Undefined_Atom_Stereo_Count	0
53480	Hydrogen_Bond_Acceptor_Count	1
13693	Covalent_Unit_Count	1
134693165	Exact_Mass	742.23202911
9703	Undefined_Atom_Stereo_Count	0
19049960	Non-hydrogen_Atom_Count	7
128882	Total_Formal_Charge	0
736104	Structure_Complexity	248
15951420	Defined_Bond_Stereo_Count	0
688217	Defined_Atom_Stereo_Count	1
131704328	Defined_Atom_Stereo_Count	0
84647715	Covalent_Unit_Count	1
24776140	TPSA	77.4
28936	Molecular_Weight	428.1
2193	Isotope_Atom_Count	0
61295	XLogP3-AA	1.6
67963	Rotatable_Bond_Count	0
16129701	Total_Formal_Charge	0
5282761	Undefined_Bond_Stereo_Count	0
20504	Total_Formal_Charge	0
3047830	Hydrogen_Bond_Acceptor_Count	3
9962	Total_Formal_Charge	0
66105	TPSA	0
444025	XLogP3	3.9
7861	Undefined_Bond_Stereo_Count	0
208924	Mono_Isotopic_Weight	313.1193192
31772	Defined_Bond_Stereo_Count	0
79583	Exact_Mass	209.03242232
62276	Total_Formal_Charge	0
46945256	Hydrogen_Bond_Donor_Count	3
68023	Rotatable_Bond_Count	1
9885889	Rotatable_Bond_Count	2
118855423	Exact_Mass	479.08648575
55255285	Defined_Bond_Stereo_Count	0
87217	Covalent_Unit_Count	1
5359464	Defined_Bond_Stereo_Count	0
41515	Hydrogen_Bond_Acceptor_Count	0
11979961	Undefined_Atom_Stereo_Count	0
18372143	Structure_Complexity	109
75220691	Defined_Bond_Stereo_Count	0
11256720	Rotatable_Bond_Count	3
91042	Defined_Atom_Stereo_Count	0
22160808	Rotatable_Bond_Count	2
57927	Defined_Bond_Stereo_Count	0
4949	Undefined_Atom_Stereo_Count	0
11398	Exact_Mass	135.104799419
129760006	Defined_Atom_Stereo_Count	0
79081	Tautomer_Count	1
11081093	Hydrogen_Bond_Donor_Count	0
67784194	Molecular_Weight	109.09
4038	Total_Formal_Charge	0
15221251	Molecular_Weight	322.28
80281	Undefined_Atom_Stereo_Count	0
5388949	Total_Formal_Charge	0
26093	Structure_Complexity	361
116161184	Covalent_Unit_Count	1
6433198	Exact_Mass	829.2283373
70276990	Undefined_Atom_Stereo_Count	0
25144864	Molecular_Weight	1089.3
53469852	Structure_Complexity	755
47660	Structure_Complexity	437
590596	Rotatable_Bond_Count	0
69677	Mono_Isotopic_Weight	134.00918253
445114	Undefined_Atom_Stereo_Count	0
58206	XLogP3-AA	0.6
138539	Non-hydrogen_Atom_Count	7
2740171	Exact_Mass	274.0985242
10098	Tautomer_Count	5
19704286	Rotatable_Bond_Count	0
126547509	Undefined_Atom_Stereo_Count	0
53477948	Mono_Isotopic_Weight	510.42842495
1284234	Structure_Complexity	223
88740	Undefined_Atom_Stereo_Count	0
36037	Structure_Complexity	294
50376	XLogP3-AA	4
4990	Hydrogen_Bond_Donor_Count	2
58077	Structure_Complexity	422
292429	Hydrogen_Bond_Donor_Count	0
46883935	Total_Formal_Charge	0
84292	Isotope_Atom_Count	0
3478	Rotatable_Bond_Count	7
160796	Hydrogen_Bond_Donor_Count	2
168131	Total_Formal_Charge	1
5912039	Defined_Bond_Stereo_Count	1
206693	Defined_Atom_Stereo_Count	0
1355	Rotatable_Bond_Count	1
3955344	Exact_Mass	341.98101801
6618895	Undefined_Atom_Stereo_Count	0
102	Structure_Complexity	83
12497562	Mono_Isotopic_Weight	96.057514874
24891700	Molecular_Weight	427.5
54217822	Exact_Mass	122.00376522
180081	Undefined_Atom_Stereo_Count	0
5311221	Structure_Complexity	526
89317	Undefined_Atom_Stereo_Count	1
2794811	Exact_Mass	102.079312947
13364	Tautomer_Count	1
20526803	Molecular_Weight	112.09
87931798	Mono_Isotopic_Weight	115.063328530
698931	Undefined_Atom_Stereo_Count	0
78422638	Undefined_Bond_Stereo_Count	0
11969465	Defined_Bond_Stereo_Count	0
11598	Tautomer_Count	1
24208	Defined_Atom_Stereo_Count	0
6436449	Isotope_Atom_Count	0
9931156	XLogP3-AA	2.2
91435	TPSA	60.4
10075	Isotope_Atom_Count	0
3048339	Exact_Mass	231.162314293
36688241	Exact_Mass	427.20331054
3816071	Defined_Bond_Stereo_Count	0
147059143	Non-hydrogen_Atom_Count	7
13594	Tautomer_Count	5
656832	Structure_Complexity	432
5477380	XLogP3	5.9
17390	XLogP3	2.8
643681	Hydrogen_Bond_Donor_Count	0
44392114	Covalent_Unit_Count	1
47319	Molecular_Weight	929.1
11860544	Undefined_Atom_Stereo_Count	0
134160331	Hydrogen_Bond_Donor_Count	2
11291	Non-hydrogen_Atom_Count	20
489	Defined_Atom_Stereo_Count	0
14671559	Non-hydrogen_Atom_Count	8
2076	Non-hydrogen_Atom_Count	40
36218	Isotope_Atom_Count	0
124226575	Undefined_Atom_Stereo_Count	0
24825253	XLogP3-AA	6.8
162955686	Total_Formal_Charge	0
24949247	Molecular_Weight	385.3
59875983	Exact_Mass	100.052429494
57052261	Defined_Bond_Stereo_Count	0
9887537	Isotope_Atom_Count	0
6055792	Structure_Complexity	452
7655	XLogP3	3.3
146776289	Isotope_Atom_Count	0
6030	Undefined_Atom_Stereo_Count	0
95343	Structure_Complexity	227
5284543	TPSA	41.9
97109339	TPSA	17.1
11600783	Non-hydrogen_Atom_Count	12
10442	Non-hydrogen_Atom_Count	5
6914821	TPSA	67.4
2706	Undefined_Atom_Stereo_Count	4
24314	Exact_Mass	130.099379685
6093	Structure_Complexity	268
9903410	Hydrogen_Bond_Acceptor_Count	4
247771	Exact_Mass	99.104799419
12328896	TPSA	136
52945780	Undefined_Bond_Stereo_Count	0
839580	Molecular_Weight	308.3
123835510	Isotope_Atom_Count	0
7221	Structure_Complexity	101
130232326	Molecular_Weight	554.5
643836	Defined_Bond_Stereo_Count	1
13584912	Hydrogen_Bond_Donor_Count	0
115011062	Molecular_Weight	114.14
18387020	Mono_Isotopic_Weight	115.099714038
2566	Undefined_Bond_Stereo_Count	0
80152	XLogP3	3.2
9483	Rotatable_Bond_Count	1
133662562	Mono_Isotopic_Weight	181.06674293
72200720	Undefined_Atom_Stereo_Count	0
400916	TPSA	29.8
102429819	Defined_Bond_Stereo_Count	0
26898	Mono_Isotopic_Weight	290.235813585
18445434	TPSA	41.1
137071	Hydrogen_Bond_Donor_Count	1
920	Defined_Bond_Stereo_Count	0
132367	Covalent_Unit_Count	1
66992840	Total_Formal_Charge	0
3944	Mono_Isotopic_Weight	528.21078060
48548	XLogP3	2.3
23690938	Molecular_Weight	353.3
44148067	Hydrogen_Bond_Donor_Count	3
54368808	Exact_Mass	109.052763847
54169147	XLogP3-AA	0.1
11919	TPSA	0
10975412	Molecular_Weight	97.12
9802542	Total_Formal_Charge	0
18720270	Molecular_Weight	115.13
101656013	Defined_Atom_Stereo_Count	19
147201521	Molecular_Weight	113.20
13685820	Total_Formal_Charge	0
67151	TPSA	46.9
45806	Structure_Complexity	259
60069415	Non-hydrogen_Atom_Count	8
441414	Hydrogen_Bond_Acceptor_Count	9
139589209	Covalent_Unit_Count	1
21700	Hydrogen_Bond_Donor_Count	1
88294	Hydrogen_Bond_Acceptor_Count	4
24759089	Exact_Mass	432.17975526
28761	XLogP3-AA	2.2
12220	XLogP3	2.3
57869404	Mono_Isotopic_Weight	114.104465066
74086836	Rotatable_Bond_Count	0
12921228	Structure_Complexity	101
46931204	Non-hydrogen_Atom_Count	29
66679	Defined_Atom_Stereo_Count	0
75825	Isotope_Atom_Count	0
549699	XLogP3-AA	0.9
34296	Undefined_Bond_Stereo_Count	0
10310138	Isotope_Atom_Count	0
6433090	Mono_Isotopic_Weight	319.168462302
12768628	Molecular_Weight	95.14
29909	Defined_Bond_Stereo_Count	0
10246505	Undefined_Bond_Stereo_Count	0
58781694	Hydrogen_Bond_Acceptor_Count	2
5702628	TPSA	40.5
15706803	Defined_Bond_Stereo_Count	0
21493122	Rotatable_Bond_Count	2
12709580	Structure_Complexity	112
14181	Covalent_Unit_Count	1
12554979	Exact_Mass	96.093900383
61158	Hydrogen_Bond_Donor_Count	2
135409471	Molecular_Weight	314.17
1643	Undefined_Bond_Stereo_Count	0
3000668	Mono_Isotopic_Weight	305.16270821
140945	Covalent_Unit_Count	1
448223	Hydrogen_Bond_Donor_Count	1
66684245	Undefined_Atom_Stereo_Count	1
10715	Hydrogen_Bond_Donor_Count	2
5530	Exact_Mass	133.089149355
44472635	Structure_Complexity	782
14869	TPSA	49.3
54025583	Undefined_Atom_Stereo_Count	1
15783596	Isotope_Atom_Count	0
3692	Undefined_Bond_Stereo_Count	0
9949802	XLogP3-AA	4.8
70700216	Rotatable_Bond_Count	2
19966840	Hydrogen_Bond_Acceptor_Count	1
14923	Total_Formal_Charge	0
61247	Molecular_Weight	102.17
4278369	Covalent_Unit_Count	1
20015	Covalent_Unit_Count	1
76080	Total_Formal_Charge	0
58190643	Defined_Atom_Stereo_Count	0
21189113	Non-hydrogen_Atom_Count	7
8368	Isotope_Atom_Count	0
53699711	Hydrogen_Bond_Donor_Count	2
14257662	Defined_Bond_Stereo_Count	0
2130	XLogP3	2.4
23480	Defined_Atom_Stereo_Count	0
115089	Tautomer_Count	45
428573	Structure_Complexity	254
45278337	Exact_Mass	421.28983728
82418997	Defined_Bond_Stereo_Count	0
68316758	Non-hydrogen_Atom_Count	8
34521	Rotatable_Bond_Count	2
5274	Isotope_Atom_Count	0
69340949	Structure_Complexity	151
105	Non-hydrogen_Atom_Count	11
129668601	Molecular_Weight	145.12
21723	Exact_Mass	502.077368
10461508	XLogP3-AA	4.6
62683	Structure_Complexity	2
117715670	Exact_Mass	382.0754060
16218740	Covalent_Unit_Count	1
3879	Undefined_Atom_Stereo_Count	26
7918	Hydrogen_Bond_Acceptor_Count	3
123612613	Non-hydrogen_Atom_Count	8
132787	Exact_Mass	336.183778013
688	TPSA	146
140659510	Defined_Bond_Stereo_Count	0
8743	Mono_Isotopic_Weight	183.01677226
68414798	Rotatable_Bond_Count	5
3462	Hydrogen_Bond_Donor_Count	2
5283853	TPSA	98
44563178	Rotatable_Bond_Count	5
122222714	Undefined_Atom_Stereo_Count	2
108037	Undefined_Bond_Stereo_Count	0
191445	TPSA	165
11178236	Isotope_Atom_Count	0
448545	Structure_Complexity	834
271488	Exact_Mass	360.339216023
527013	TPSA	23.6
23433606	Exact_Mass	218.084398327
141315890	Defined_Bond_Stereo_Count	0
9399	Hydrogen_Bond_Acceptor_Count	6
12201383	Defined_Atom_Stereo_Count	0
208922	Mono_Isotopic_Weight	292.193948774
57403932	Covalent_Unit_Count	1
82917	Isotope_Atom_Count	0
15148131	Covalent_Unit_Count	1
64017	Hydrogen_Bond_Acceptor_Count	6
12226994	Structure_Complexity	38.5
75828	Defined_Bond_Stereo_Count	0
124037382	Structure_Complexity	19100
253602	Total_Formal_Charge	0
12425338	Defined_Atom_Stereo_Count	0
62553	Isotope_Atom_Count	0
13416	TPSA	20.2
398640	Molecular_Weight	327.3
118210492	Hydrogen_Bond_Donor_Count	0
3054609	TPSA	159
55414	Structure_Complexity	317
638051	XLogP3-AA	2.4
16760207	Structure_Complexity	361
13012673	Covalent_Unit_Count	1
53384934	Mono_Isotopic_Weight	665.30474055
16664362	Hydrogen_Bond_Acceptor_Count	4
71776638	Undefined_Bond_Stereo_Count	0
2723766	Molecular_Weight	164.16
23675796	Exact_Mass	295.99666808
59388	Molecular_Weight	291.21
87470	Defined_Atom_Stereo_Count	0
524670	Hydrogen_Bond_Acceptor_Count	0
19010362	Covalent_Unit_Count	1
96393	Mono_Isotopic_Weight	126.079312947
123167244	Undefined_Bond_Stereo_Count	0
57707	Hydrogen_Bond_Acceptor_Count	3
11337	Hydrogen_Bond_Donor_Count	6
47499	Non-hydrogen_Atom_Count	36
23663964	Mono_Isotopic_Weight	397.08902930
222284	Structure_Complexity	634
10645	Defined_Atom_Stereo_Count	0
5284469	XLogP3-AA	4.7
23690927	Isotope_Atom_Count	0
4011	Covalent_Unit_Count	1
3927	Isotope_Atom_Count	0
23552387	Hydrogen_Bond_Acceptor_Count	3
11976122	Total_Formal_Charge	0
10295295	Isotope_Atom_Count	0
6602154	Total_Formal_Charge	0
121207426	Structure_Complexity	165
11655595	Rotatable_Bond_Count	5
690	Defined_Atom_Stereo_Count	0
67406	Total_Formal_Charge	0
49505	Defined_Atom_Stereo_Count	0
46900403	Structure_Complexity	468
123248	Tautomer_Count	3
56427	Molecular_Weight	217.31
2125	Rotatable_Bond_Count	4
20469	Total_Formal_Charge	0
12370	Covalent_Unit_Count	1
39268	Isotope_Atom_Count	0
121755	Undefined_Bond_Stereo_Count	0
22310945	Hydrogen_Bond_Acceptor_Count	3
17001	Molecular_Weight	280.4
22833567	Undefined_Bond_Stereo_Count	0
5353959	Hydrogen_Bond_Donor_Count	4
53846422	Non-hydrogen_Atom_Count	30
91465	TPSA	20.2
148431	TPSA	24.4
969472	Defined_Atom_Stereo_Count	1
3060	XLogP3	3.4
79704	Hydrogen_Bond_Acceptor_Count	5
163359784	Undefined_Bond_Stereo_Count	0
75634	Isotope_Atom_Count	0
75005	Non-hydrogen_Atom_Count	10
54539471	Covalent_Unit_Count	1
443154	Structure_Complexity	1190
102505711	Mono_Isotopic_Weight	384.0699267
4848	TPSA	68.8
66110	Hydrogen_Bond_Donor_Count	1
164333	XLogP3-AA	1
6190	Defined_Bond_Stereo_Count	0
74534	Isotope_Atom_Count	0
613589	Isotope_Atom_Count	0
127612	Isotope_Atom_Count	0
10898650	Hydrogen_Bond_Donor_Count	0
15927	Mono_Isotopic_Weight	186.99966
87168	Tautomer_Count	1
79346	Covalent_Unit_Count	1
7163	Covalent_Unit_Count	1
9815326	Undefined_Bond_Stereo_Count	0
45076013	Mono_Isotopic_Weight	116.04081944
3586	Undefined_Atom_Stereo_Count	3
5288266	Non-hydrogen_Atom_Count	17
66991	Total_Formal_Charge	0
571	Mono_Isotopic_Weight	307.09120050
85794	Total_Formal_Charge	0
84986	Structure_Complexity	219
5526	Covalent_Unit_Count	1
548989	Defined_Atom_Stereo_Count	0
101605498	Non-hydrogen_Atom_Count	44
139692	Non-hydrogen_Atom_Count	7
5351130	Hydrogen_Bond_Acceptor_Count	14
54557	XLogP3	2.8
18522786	Rotatable_Bond_Count	1
83970	Exact_Mass	545.18971080
72210	Defined_Atom_Stereo_Count	3
5112745	Non-hydrogen_Atom_Count	17
7170	Isotope_Atom_Count	0
6269	Hydrogen_Bond_Donor_Count	1
66587032	Mono_Isotopic_Weight	424.09431117
13582607	XLogP3-AA	0.4
53775252	Covalent_Unit_Count	1
96269	Hydrogen_Bond_Donor_Count	0
6325	Defined_Bond_Stereo_Count	0
54413601	Non-hydrogen_Atom_Count	20
20469	Non-hydrogen_Atom_Count	28
66545742	Undefined_Atom_Stereo_Count	0
139906417	Structure_Complexity	65.1
89283371	Defined_Bond_Stereo_Count	0
8989	Mono_Isotopic_Weight	416.365430770
6140	Defined_Atom_Stereo_Count	1
136589	Defined_Atom_Stereo_Count	0
598760	Hydrogen_Bond_Donor_Count	0
122172945	Defined_Bond_Stereo_Count	1
44431182	Rotatable_Bond_Count	8
198231	Defined_Bond_Stereo_Count	0
5318039	Rotatable_Bond_Count	10
9318	TPSA	80.3
75184787	Defined_Bond_Stereo_Count	0
606	Total_Formal_Charge	0
5475158	TPSA	57.6
72073	Exact_Mass	162.042927438
592	Hydrogen_Bond_Donor_Count	9
53387026	Exact_Mass	368.20346808
86000267	Exact_Mass	208.219100893
618566	Exact_Mass	428.99761
8834	Exact_Mass	212.177630004
89770232	Hydrogen_Bond_Acceptor_Count	11
5284441	Undefined_Atom_Stereo_Count	1
24884776	Molecular_Weight	442.6
16049867	XLogP3-AA	4.4
3017320	Mono_Isotopic_Weight	96.093900383
90498	Non-hydrogen_Atom_Count	6
137208	Non-hydrogen_Atom_Count	5
11261	Rotatable_Bond_Count	2
84179	Exact_Mass	163.099714038
227541	Tautomer_Count	1
62333	Covalent_Unit_Count	1
12654348	Mono_Isotopic_Weight	113.058911855
6437064	Exact_Mass	688.39751874
6918078	Hydrogen_Bond_Donor_Count	4
16070030	Rotatable_Bond_Count	0
10285778	Exact_Mass	99.068413911
93321	Isotope_Atom_Count	0
59277826	Defined_Bond_Stereo_Count	0
60196385	Mono_Isotopic_Weight	221.07791
12801	Molecular_Weight	162.14
47364	Undefined_Bond_Stereo_Count	0
725300	Total_Formal_Charge	0
165367979	Rotatable_Bond_Count	12
135403648	Hydrogen_Bond_Donor_Count	7
87704774	Molecular_Weight	219.67
13826	Undefined_Bond_Stereo_Count	0
44093	Structure_Complexity	244
105101	Hydrogen_Bond_Donor_Count	1
4659387	Exact_Mass	444.15821500
543129	Hydrogen_Bond_Donor_Count	1
71094775	Hydrogen_Bond_Donor_Count	8
3413420	Covalent_Unit_Count	1
142959	Non-hydrogen_Atom_Count	8
144915389	Covalent_Unit_Count	1
59295926	Covalent_Unit_Count	1
5310966	Mono_Isotopic_Weight	211.110947427
302	Hydrogen_Bond_Acceptor_Count	5
46783232	Exact_Mass	361.12738533
59009	Total_Formal_Charge	0
418940	Non-hydrogen_Atom_Count	20
20317822	Covalent_Unit_Count	1
17168	Covalent_Unit_Count	1
347271	Mono_Isotopic_Weight	100.063662883
5288365	Structure_Complexity	335
129228	Hydrogen_Bond_Acceptor_Count	5
5366149	Structure_Complexity	70.1
28315	Isotope_Atom_Count	0
10760	Tautomer_Count	2
7898	Undefined_Bond_Stereo_Count	0
6436633	Hydrogen_Bond_Donor_Count	0
12436	Structure_Complexity	79.3
90047364	TPSA	62.7
62479	XLogP3-AA	1
12921228	Undefined_Atom_Stereo_Count	0
25014762	Structure_Complexity	553
105426929	TPSA	12
3034393	Hydrogen_Bond_Donor_Count	2
141869079	Undefined_Bond_Stereo_Count	0
86876	Defined_Atom_Stereo_Count	0
135444779	Covalent_Unit_Count	1
6440900	Defined_Atom_Stereo_Count	0
8073	TPSA	26.3
7216	Hydrogen_Bond_Donor_Count	0
9351	Exact_Mass	196.0515740
136304	Covalent_Unit_Count	1
5501	Mono_Isotopic_Weight	232.09602564
23525993	Hydrogen_Bond_Donor_Count	1
17513	TPSA	157
13858	Mono_Isotopic_Weight	109.052763847
5487713	Defined_Atom_Stereo_Count	0
81512	Non-hydrogen_Atom_Count	7
31390	Hydrogen_Bond_Acceptor_Count	4
567743	Defined_Bond_Stereo_Count	0
21594228	Hydrogen_Bond_Acceptor_Count	7
79437	Structure_Complexity	414
66828839	Hydrogen_Bond_Donor_Count	3
19040543	Mono_Isotopic_Weight	89.084063974
23678	Mono_Isotopic_Weight	395.88317
477698	Defined_Atom_Stereo_Count	0
5918	Undefined_Bond_Stereo_Count	0
3219590	Hydrogen_Bond_Acceptor_Count	5
135484551	Hydrogen_Bond_Donor_Count	4
15365	Hydrogen_Bond_Donor_Count	0
6918026	Total_Formal_Charge	0
46883307	Undefined_Bond_Stereo_Count	0
67535	Defined_Bond_Stereo_Count	0
25167777	Defined_Atom_Stereo_Count	0
8222	Exact_Mass	282.328651340
132935795	Exact_Mass	199.10308534
7073	XLogP3	1.4
2100	Structure_Complexity	1840
5365794	Exact_Mass	226.193280068
13521831	Exact_Mass	99.068413911
66536	Hydrogen_Bond_Donor_Count	1
101015849	Exact_Mass	182.07009777
59844561	Molecular_Weight	547.6
5310979	Undefined_Bond_Stereo_Count	0
49865859	Total_Formal_Charge	0
5282219	TPSA	82.1
166931	Tautomer_Count	1
21520336	Non-hydrogen_Atom_Count	21
4640670	Hydrogen_Bond_Acceptor_Count	6
54418364	Isotope_Atom_Count	0
89748954	Molecular_Weight	114.19
53846436	TPSA	60.7
55300514	Covalent_Unit_Count	1
9825070	Undefined_Atom_Stereo_Count	0
71587019	Structure_Complexity	166
4092	Structure_Complexity	138
85920	Total_Formal_Charge	0
12934018	Molecular_Weight	98.10
4438527	Covalent_Unit_Count	1
23729769	Covalent_Unit_Count	1
58071	Molecular_Weight	276.37
133268464	Isotope_Atom_Count	0
6918493	Hydrogen_Bond_Acceptor_Count	6
6241	Hydrogen_Bond_Donor_Count	4
39185	Hydrogen_Bond_Donor_Count	0
13263	Molecular_Weight	227.33
5175	Exact_Mass	339.1059778
7209	Hydrogen_Bond_Donor_Count	0
136115428	Rotatable_Bond_Count	1
134694678	Molecular_Weight	585.7
7210	Non-hydrogen_Atom_Count	21
22242539	Defined_Bond_Stereo_Count	0
135437285	Defined_Atom_Stereo_Count	0
76324338	Covalent_Unit_Count	1
69982	Defined_Atom_Stereo_Count	0
99050	TPSA	48.1
164075219	Undefined_Atom_Stereo_Count	2
41020	Structure_Complexity	538
11240453	Non-hydrogen_Atom_Count	8
9935	Isotope_Atom_Count	0
98210	Structure_Complexity	46.8
101316975	Defined_Bond_Stereo_Count	0
5365327	Structure_Complexity	79.8
77274	Covalent_Unit_Count	1
9916282	Rotatable_Bond_Count	12
15951416	Mono_Isotopic_Weight	342.14806121
29498	Undefined_Atom_Stereo_Count	0
276123	Total_Formal_Charge	0
25102936	Molecular_Weight	426.5
6204	Hydrogen_Bond_Donor_Count	0
81184	Tautomer_Count	3
203443	Total_Formal_Charge	0
12304501	Undefined_Atom_Stereo_Count	0
4339626	Total_Formal_Charge	0
398675	TPSA	36
6443047	Isotope_Atom_Count	0
77531	Non-hydrogen_Atom_Count	8
18521191	Total_Formal_Charge	0
1498	XLogP3-AA	3.7
3913	Defined_Atom_Stereo_Count	0
53395259	Tautomer_Count	14
809629	Rotatable_Bond_Count	3
421	Tautomer_Count	1
88959077	Exact_Mass	113.047678466
145994872	Covalent_Unit_Count	2
596805	Undefined_Bond_Stereo_Count	0
10295970	Structure_Complexity	523
12441297	TPSA	25.8
12950121	Covalent_Unit_Count	1
10138980	Structure_Complexity	730
9843941	Tautomer_Count	1
18626415	Molecular_Weight	102.13
3039	Defined_Bond_Stereo_Count	0
65028	Rotatable_Bond_Count	8
6950248	Structure_Complexity	45.3
53249784	Total_Formal_Charge	0
99564	Molecular_Weight	137.18
90532	Covalent_Unit_Count	1
118975693	TPSA	29.1
5311068	Exact_Mass	200.131348519
71587637	Structure_Complexity	450
56673690	TPSA	108
11315446	Undefined_Atom_Stereo_Count	0
15801221	Total_Formal_Charge	0
6800	Molecular_Weight	500.64
6917949	Non-hydrogen_Atom_Count	77
72199540	Rotatable_Bond_Count	15
439271	Total_Formal_Charge	0
49864506	Undefined_Bond_Stereo_Count	0
2997	XLogP3	2.9
134018	Mono_Isotopic_Weight	316.08816355
5362736	Molecular_Weight	236.39
6919055	Hydrogen_Bond_Acceptor_Count	3
69332494	Isotope_Atom_Count	0
69111	Total_Formal_Charge	0
5975	Undefined_Bond_Stereo_Count	0
53701	Total_Formal_Charge	0
68384915	Non-hydrogen_Atom_Count	21
53232	Rotatable_Bond_Count	7
5282545	Total_Formal_Charge	0
137092	Hydrogen_Bond_Acceptor_Count	1
9886	Undefined_Bond_Stereo_Count	0
18718394	Mono_Isotopic_Weight	88.016043985
69188	Undefined_Bond_Stereo_Count	0
22717642	Undefined_Bond_Stereo_Count	0
3907	Exact_Mass	625.30330126
10130337	Defined_Atom_Stereo_Count	1
6405709	TPSA	77.8
21411162	Total_Formal_Charge	0
6213	Defined_Atom_Stereo_Count	0
81476	Total_Formal_Charge	0
131954444	Defined_Bond_Stereo_Count	1
11219835	XLogP3-AA	3.1
141268723	Hydrogen_Bond_Donor_Count	0
116821924	Molecular_Weight	99.17
142507	Total_Formal_Charge	0
20726704	Hydrogen_Bond_Donor_Count	0
19957820	XLogP3-AA	0.8
10290	Undefined_Bond_Stereo_Count	0
6325610	Molecular_Weight	318.3
57286	Undefined_Bond_Stereo_Count	0
5282168	Molecular_Weight	466.4
2801745	Defined_Atom_Stereo_Count	0
2838	Mono_Isotopic_Weight	607.37336968
14296	XLogP3	1.3
5087	Exact_Mass	278.16304257
13479278	Mono_Isotopic_Weight	95.073499291
71587637	Mono_Isotopic_Weight	425.06122
3025986	Isotope_Atom_Count	0
11967214	Structure_Complexity	326
8491	Mono_Isotopic_Weight	171.0087061
5311345	Undefined_Atom_Stereo_Count	0
123600	Covalent_Unit_Count	1
445354	Defined_Bond_Stereo_Count	4
54493	Undefined_Bond_Stereo_Count	0
11185559	Defined_Atom_Stereo_Count	0
54150876	Hydrogen_Bond_Acceptor_Count	3
7400	Tautomer_Count	1
3080548	Defined_Bond_Stereo_Count	0
5431	Rotatable_Bond_Count	8
35775	Undefined_Bond_Stereo_Count	0
42113	XLogP3-AA	2.6
57952	Rotatable_Bond_Count	6
18517118	Defined_Atom_Stereo_Count	0
50112	Molecular_Weight	1473.6
13597991	Hydrogen_Bond_Donor_Count	2
12455727	Non-hydrogen_Atom_Count	8
9971484	Covalent_Unit_Count	1
39526	Defined_Bond_Stereo_Count	0
133640194	Non-hydrogen_Atom_Count	17
159055	Tautomer_Count	2
3033621	Tautomer_Count	3
54288465	Defined_Atom_Stereo_Count	0
169986	Undefined_Atom_Stereo_Count	0
549699	Hydrogen_Bond_Acceptor_Count	1
133562676	XLogP3-AA	4.1
12389638	Molecular_Weight	94.15
54680660	Mono_Isotopic_Weight	414.26175355
10197959	Isotope_Atom_Count	0
556487	Exact_Mass	94.078250319
12871715	XLogP3-AA	0.8
24556	Hydrogen_Bond_Acceptor_Count	4
141053308	Mono_Isotopic_Weight	100.052429494
22967002	Total_Formal_Charge	0
2724294	Exact_Mass	166.062994177
87646	Defined_Bond_Stereo_Count	0
13072114	Hydrogen_Bond_Acceptor_Count	9
78373	Isotope_Atom_Count	0
156617908	TPSA	190
4386	Defined_Bond_Stereo_Count	0
57716	Total_Formal_Charge	0
18370	Rotatable_Bond_Count	1
11687	Exact_Mass	346.21440943
54675854	Exact_Mass	151.039519081
139080466	Defined_Atom_Stereo_Count	2
5064	Hydrogen_Bond_Acceptor_Count	7
161729	Hydrogen_Bond_Acceptor_Count	4
9864202	Structure_Complexity	490
25657	TPSA	17.1
53484514	Non-hydrogen_Atom_Count	6
3714	Covalent_Unit_Count	1
26445	Tautomer_Count	1
10797	Undefined_Bond_Stereo_Count	0
194637	Exact_Mass	590.28930571
3045401	XLogP3-AA	2.8
1087331	Total_Formal_Charge	0
129634850	Exact_Mass	98.048012819
6674	Defined_Atom_Stereo_Count	8
46587	Hydrogen_Bond_Acceptor_Count	3
805985	Covalent_Unit_Count	1
9460	Undefined_Bond_Stereo_Count	0
23677829	Isotope_Atom_Count	0
51762	Exact_Mass	326.12263431
656598	XLogP3	1.8
12709580	Undefined_Atom_Stereo_Count	0
79964	TPSA	1
12465459	XLogP3-AA	0.4
670580	Mono_Isotopic_Weight	320.04310506
90592	Total_Formal_Charge	0
6918331	Hydrogen_Bond_Donor_Count	2
126704391	Molecular_Weight	180.16
85775728	Non-hydrogen_Atom_Count	8
180335	Rotatable_Bond_Count	6
4135	XLogP3-AA	7.1
53708136	Defined_Atom_Stereo_Count	0
18357	Defined_Bond_Stereo_Count	0
164509	XLogP3-AA	2.7
56623	Exact_Mass	309.03541696
668081	XLogP3-AA	3.7
571982	Molecular_Weight	476.13
986	TPSA	389
14510	Undefined_Atom_Stereo_Count	0
776222	Total_Formal_Charge	0
29327	Mono_Isotopic_Weight	265.09099983
20054964	Rotatable_Bond_Count	12
279451	Defined_Bond_Stereo_Count	0
99646539	Mono_Isotopic_Weight	284.16237386
11962412	Hydrogen_Bond_Acceptor_Count	5
72068	Undefined_Atom_Stereo_Count	0
359784	Non-hydrogen_Atom_Count	13
54605501	Exact_Mass	497.21513732
87187299	Total_Formal_Charge	0
51066536	Defined_Atom_Stereo_Count	2
14585548	Rotatable_Bond_Count	0
7252	Hydrogen_Bond_Acceptor_Count	2
6850813	Structure_Complexity	237
12842606	Hydrogen_Bond_Acceptor_Count	2
14813	Defined_Atom_Stereo_Count	0
11987858	Hydrogen_Bond_Donor_Count	0
56327	Mono_Isotopic_Weight	219.125928785
4650	Exact_Mass	108.021129366
14435951	Hydrogen_Bond_Acceptor_Count	1
69173085	Non-hydrogen_Atom_Count	7
5327686	Hydrogen_Bond_Donor_Count	1
91460	Undefined_Atom_Stereo_Count	0
6180	Rotatable_Bond_Count	5
14895678	Exact_Mass	75.068413911
63049	Isotope_Atom_Count	0
19375416	Defined_Atom_Stereo_Count	0
136096147	Defined_Bond_Stereo_Count	0
112265	Structure_Complexity	72.5
74735	Defined_Bond_Stereo_Count	0
16132954	Defined_Atom_Stereo_Count	0
135398515	Mono_Isotopic_Weight	317.01803556
165157	Defined_Bond_Stereo_Count	0
163201191	Undefined_Atom_Stereo_Count	2
45381907	Structure_Complexity	677
186068	Covalent_Unit_Count	1
222572	Isotope_Atom_Count	0
53865481	Defined_Bond_Stereo_Count	0
165993043	Isotope_Atom_Count	0
44406	Isotope_Atom_Count	0
22033763	Defined_Atom_Stereo_Count	0
9098	Mono_Isotopic_Weight	172.09218630
67873	Undefined_Atom_Stereo_Count	0
104802	Mono_Isotopic_Weight	346.16008244
91442807	XLogP3-AA	5.1
11962267	Non-hydrogen_Atom_Count	7
10244374	Isotope_Atom_Count	0
22833321	XLogP3-AA	4.7
155346	Defined_Bond_Stereo_Count	0
42291	Defined_Atom_Stereo_Count	0
58544	TPSA	33.6
3222	TPSA	95.9
163934	Hydrogen_Bond_Donor_Count	1
129710762	TPSA	59.1
135398646	Isotope_Atom_Count	0
4513	Undefined_Bond_Stereo_Count	1
136647975	Undefined_Bond_Stereo_Count	0
6331	Non-hydrogen_Atom_Count	1
21864560	Exact_Mass	1212.68532087
5280445	Undefined_Atom_Stereo_Count	0
91276	Total_Formal_Charge	0
176595	Exact_Mass	616.04674
18755630	XLogP3-AA	1.1
338085	Defined_Atom_Stereo_Count	0
4764	Undefined_Atom_Stereo_Count	0
124075	Tautomer_Count	1
176505	Defined_Bond_Stereo_Count	0
6435110	Hydrogen_Bond_Donor_Count	6
54688694	Isotope_Atom_Count	0
31013	Defined_Atom_Stereo_Count	0
3074943	Structure_Complexity	282
11355437	Non-hydrogen_Atom_Count	5
164576789	Isotope_Atom_Count	0
11539725	Total_Formal_Charge	0
14875988	Rotatable_Bond_Count	1
84567	Defined_Bond_Stereo_Count	0
908617	Covalent_Unit_Count	1
9244	XLogP3-AA	0.8
65049734	TPSA	12.5
1006	Undefined_Atom_Stereo_Count	2
70400	Molecular_Weight	242.1
85515	Hydrogen_Bond_Acceptor_Count	3
117899707	Defined_Bond_Stereo_Count	0
70694392	Rotatable_Bond_Count	5
3021	Undefined_Atom_Stereo_Count	13
520902	Non-hydrogen_Atom_Count	12
7957	Hydrogen_Bond_Acceptor_Count	1
17579	Tautomer_Count	1
123347622	TPSA	21.9
91256663	Defined_Bond_Stereo_Count	0
53394037	Undefined_Bond_Stereo_Count	1
94176	Exact_Mass	120.04225873
20111961	Defined_Atom_Stereo_Count	0
19756	Mono_Isotopic_Weight	184.063662883
529268	Defined_Bond_Stereo_Count	0
17825268	Hydrogen_Bond_Acceptor_Count	3
23727982	Mono_Isotopic_Weight	269.12766012
22833389	Undefined_Bond_Stereo_Count	0
15744	Tautomer_Count	1
23349	Hydrogen_Bond_Acceptor_Count	1
99068	Hydrogen_Bond_Acceptor_Count	2
24208	XLogP3-AA	3.5
7672	Defined_Atom_Stereo_Count	0
13220	Covalent_Unit_Count	1
10746	Exact_Mass	485.91889
5252031	Defined_Atom_Stereo_Count	0
151148	Total_Formal_Charge	0
13050985	Structure_Complexity	91.9
21490213	Undefined_Bond_Stereo_Count	0
135400182	Undefined_Atom_Stereo_Count	0
13707	Non-hydrogen_Atom_Count	15
19437571	Non-hydrogen_Atom_Count	8
446753	TPSA	109
10819	Rotatable_Bond_Count	2
5288494	Isotope_Atom_Count	0
11442292	Covalent_Unit_Count	1
8177	XLogP3	0.6
18069	Defined_Bond_Stereo_Count	0
154404053	Defined_Atom_Stereo_Count	0
544861	XLogP3-AA	0.9
6419708	Non-hydrogen_Atom_Count	22
11643846	Hydrogen_Bond_Donor_Count	5
31246	Tautomer_Count	2
67795854	Exact_Mass	342.11621151
8528	Undefined_Atom_Stereo_Count	0
219	Molecular_Weight	117.10
5838	Rotatable_Bond_Count	2
56801	TPSA	140
11715	Structure_Complexity	42.2
5310967	XLogP3	1.1
824609	Mono_Isotopic_Weight	312.0777887
13349550	Undefined_Atom_Stereo_Count	4
139202065	Exact_Mass	714.14991168
23676745	Total_Formal_Charge	0
5361192	Structure_Complexity	327
526950	Molecular_Weight	110.11
16363	Hydrogen_Bond_Acceptor_Count	4
550719	Mono_Isotopic_Weight	110.048012819
22170354	TPSA	86.5
68343	Defined_Bond_Stereo_Count	0
139064747	Hydrogen_Bond_Acceptor_Count	4
38252	Tautomer_Count	1
644113	Total_Formal_Charge	0
44244962	TPSA	77.4
15981894	Isotope_Atom_Count	0
10090285	Undefined_Atom_Stereo_Count	0
11051611	Exact_Mass	113.084063974
11858154	Total_Formal_Charge	0
232446	Structure_Complexity	269
21031	Covalent_Unit_Count	1
14340	Defined_Bond_Stereo_Count	0
154734173	Undefined_Bond_Stereo_Count	0
123448160	Isotope_Atom_Count	0
97994	Non-hydrogen_Atom_Count	13
65870	Isotope_Atom_Count	0
84647707	Structure_Complexity	103
703	Non-hydrogen_Atom_Count	53
3996620	Molecular_Weight	231.23
2480	TPSA	55.6
138971	Hydrogen_Bond_Donor_Count	0
25181472	Undefined_Bond_Stereo_Count	0
129456	Undefined_Atom_Stereo_Count	2
36513	Hydrogen_Bond_Acceptor_Count	3
72199540	Structure_Complexity	1040
3140955	Total_Formal_Charge	0
129815925	Hydrogen_Bond_Acceptor_Count	2
13610389	Rotatable_Bond_Count	0
82513	Non-hydrogen_Atom_Count	17
10178	Undefined_Bond_Stereo_Count	0
62209	Non-hydrogen_Atom_Count	18
43375	Defined_Bond_Stereo_Count	0
165646906	Molecular_Weight	108.18
27918	Hydrogen_Bond_Acceptor_Count	3
45375808	Undefined_Bond_Stereo_Count	0
68503813	Covalent_Unit_Count	1
188414	Structure_Complexity	109
474265	TPSA	67.7
92761	TPSA	51.2
12487265	Molecular_Weight	116.11
71420	Exact_Mass	512.1997337
1482928	Total_Formal_Charge	0
667550	Undefined_Atom_Stereo_Count	0
15561101	TPSA	56
13082452	Mono_Isotopic_Weight	114.068079557
13449768	Isotope_Atom_Count	0
36982	Structure_Complexity	173
7809	Hydrogen_Bond_Acceptor_Count	0
129631468	Total_Formal_Charge	0
10049	Molecular_Weight	154.25
91240583	Hydrogen_Bond_Donor_Count	2
150309	Mono_Isotopic_Weight	303.162314293
239041	Molecular_Weight	55.08
10219396	Hydrogen_Bond_Acceptor_Count	2
24090	Isotope_Atom_Count	0
6369390	Exact_Mass	78.99489136
91267	Hydrogen_Bond_Donor_Count	1
77828	Undefined_Bond_Stereo_Count	0
6206	Total_Formal_Charge	0
67950444	Defined_Atom_Stereo_Count	2
135410917	Undefined_Bond_Stereo_Count	0
3323161	Isotope_Atom_Count	0
694358	Undefined_Bond_Stereo_Count	1
21057641	Exact_Mass	525.2646307
8304	Mono_Isotopic_Weight	208.12283153
29227	Hydrogen_Bond_Acceptor_Count	2
101063142	Undefined_Atom_Stereo_Count	0
440277	Rotatable_Bond_Count	8
155713	TPSA	57.6
121942	Hydrogen_Bond_Donor_Count	7
5282409	Structure_Complexity	386
87869	Defined_Atom_Stereo_Count	2
56037	Hydrogen_Bond_Acceptor_Count	4
123286573	XLogP3-AA	0.1
3036222	Structure_Complexity	355
118437609	TPSA	41.6
3968000	XLogP3-AA	5.1
9796068	TPSA	88.9
26081	Covalent_Unit_Count	1
100930	Exact_Mass	140.04081944
163276613	Isotope_Atom_Count	0
8288	Isotope_Atom_Count	0
23973	Defined_Bond_Stereo_Count	0
71449805	Hydrogen_Bond_Donor_Count	1
15967	Molecular_Weight	277.4
6336	Structure_Complexity	345
85518914	Exact_Mass	112.052429494
17569	Covalent_Unit_Count	1
66968933	TPSA	52.3
14163	Molecular_Weight	270.37
13138	Covalent_Unit_Count	1
23564147	Exact_Mass	112.088815002
5459910	Mono_Isotopic_Weight	297.13649347
69689	TPSA	69.6
56327	Covalent_Unit_Count	1
12309464	Total_Formal_Charge	0
11848	XLogP3-AA	0.4
18414892	Hydrogen_Bond_Acceptor_Count	4
63025	Hydrogen_Bond_Donor_Count	1
30924	Defined_Bond_Stereo_Count	0
5845	Exact_Mass	387.13675280
3081364	Structure_Complexity	242
355	Molecular_Weight	166.13
9798437	Rotatable_Bond_Count	3
439352	Total_Formal_Charge	0
30318	Defined_Atom_Stereo_Count	0
46835136	Hydrogen_Bond_Donor_Count	1
12635	Isotope_Atom_Count	0
2218	Hydrogen_Bond_Acceptor_Count	2
13611195	Mono_Isotopic_Weight	108.093900383
91435	Undefined_Bond_Stereo_Count	0
322968	Mono_Isotopic_Weight	185.10519334
8361	Isotope_Atom_Count	0
5429	Total_Formal_Charge	0
11192	Hydrogen_Bond_Acceptor_Count	4
9941444	TPSA	281
2122	Hydrogen_Bond_Acceptor_Count	8
11972518	Molecular_Weight	1111.3
66275	Molecular_Weight	285.8
68169200	Structure_Complexity	122
136750	Undefined_Bond_Stereo_Count	0
69454537	Hydrogen_Bond_Donor_Count	1
91700388	XLogP3-AA	2.5
7701	Mono_Isotopic_Weight	261.245649993
9954739	Undefined_Bond_Stereo_Count	0
59122	Structure_Complexity	863
6713428	Defined_Bond_Stereo_Count	0
97865	TPSA	77
54169757	Rotatable_Bond_Count	3
227456	Non-hydrogen_Atom_Count	42
943	Rotatable_Bond_Count	0
441189	Mono_Isotopic_Weight	240.13347377
3613700	Total_Formal_Charge	0
5281417	Exact_Mass	340.07943208
71624343	Structure_Complexity	546
62660	TPSA	26.3
45085139	Total_Formal_Charge	0
91145327	Hydrogen_Bond_Donor_Count	0
67361	Structure_Complexity	175
44144454	Covalent_Unit_Count	4
256019	Non-hydrogen_Atom_Count	14
70023156	Mono_Isotopic_Weight	111.068413911
6433164	Hydrogen_Bond_Donor_Count	0
123462301	Structure_Complexity	53.5
65263	Rotatable_Bond_Count	32
97109339	Exact_Mass	106.041864811
53766125	Molecular_Weight	117.10
6917864	Undefined_Atom_Stereo_Count	0
139629011	Rotatable_Bond_Count	2
148139	Defined_Atom_Stereo_Count	0
126636957	TPSA	279
9794197	Mono_Isotopic_Weight	197.0818711
85960305	Rotatable_Bond_Count	1
247839	Hydrogen_Bond_Donor_Count	1
55399	Molecular_Weight	622.8
4978	Total_Formal_Charge	0
7097	Undefined_Atom_Stereo_Count	0
45484851	Molecular_Weight	419.7
30387	Total_Formal_Charge	0
439356	Non-hydrogen_Atom_Count	15
162908	Mono_Isotopic_Weight	372.208930132
11869	XLogP3	2.9
5283137	Undefined_Bond_Stereo_Count	0
63055	Molecular_Weight	482.6
124486	Undefined_Bond_Stereo_Count	0
6548	Undefined_Atom_Stereo_Count	1
15376592	Undefined_Bond_Stereo_Count	0
27891	Structure_Complexity	272
71481097	Covalent_Unit_Count	1
123208701	Defined_Atom_Stereo_Count	0
29936	TPSA	0
131270	Hydrogen_Bond_Donor_Count	0
60606	TPSA	57.8
4832	Undefined_Atom_Stereo_Count	2
266052	Defined_Bond_Stereo_Count	0
54393203	Total_Formal_Charge	0
24765256	Tautomer_Count	4
725544	Isotope_Atom_Count	0
795	Structure_Complexity	28.1
358299	Rotatable_Bond_Count	2
72784	Molecular_Weight	277.94
16395904	Total_Formal_Charge	0
57391652	Hydrogen_Bond_Acceptor_Count	11
6917871	Structure_Complexity	1100
83270	Defined_Atom_Stereo_Count	0
91497	TPSA	9.2
16051586	Molecular_Weight	394.5
11412356	Hydrogen_Bond_Acceptor_Count	2
6028	Mono_Isotopic_Weight	229.885975
8256	Hydrogen_Bond_Donor_Count	0
7973	Covalent_Unit_Count	1
172285	Isotope_Atom_Count	0
70267665	Total_Formal_Charge	0
131664136	Defined_Atom_Stereo_Count	0
153977505	Defined_Bond_Stereo_Count	0
71467	Isotope_Atom_Count	0
95162202	Mono_Isotopic_Weight	342.11621151
20473149	Molecular_Weight	146.14
66435	Total_Formal_Charge	0
119435	Defined_Bond_Stereo_Count	0
79146	Tautomer_Count	1
12009	TPSA	49.4
295763	Undefined_Bond_Stereo_Count	0
10996	Covalent_Unit_Count	1
69347980	Undefined_Atom_Stereo_Count	0
71464121	Mono_Isotopic_Weight	96.057514874
165746	Undefined_Atom_Stereo_Count	0
86609	Tautomer_Count	1
25778	Non-hydrogen_Atom_Count	20
6951563	Non-hydrogen_Atom_Count	11
115817	Exact_Mass	412.0262629
61719	Structure_Complexity	444
58969552	Rotatable_Bond_Count	1
12323351	Structure_Complexity	66.7
2742181	Hydrogen_Bond_Acceptor_Count	3
3014059	Total_Formal_Charge	0
498158	Tautomer_Count	54
518760	XLogP3-AA	2.5
19420003	Covalent_Unit_Count	1
6918612	Exact_Mass	305.16270821
4961823	Isotope_Atom_Count	0
16683101	Rotatable_Bond_Count	3
55479	Non-hydrogen_Atom_Count	15
45116667	Undefined_Atom_Stereo_Count	0
657302	Molecular_Weight	274.25
12421370	Structure_Complexity	14
14454747	Defined_Bond_Stereo_Count	0
12866541	Defined_Atom_Stereo_Count	0
54520	Covalent_Unit_Count	1
49714	Tautomer_Count	1
240817	Hydrogen_Bond_Acceptor_Count	1
471360	Hydrogen_Bond_Donor_Count	0
24802149	Mono_Isotopic_Weight	180.06338810
129778798	Non-hydrogen_Atom_Count	8
15090448	Exact_Mass	114.068079557
317542	Defined_Bond_Stereo_Count	0
157049	XLogP3-AA	9.2
53466	Rotatable_Bond_Count	4
127894	Non-hydrogen_Atom_Count	20
50894	Molecular_Weight	308.37
737157	Hydrogen_Bond_Donor_Count	1
68187620	Defined_Bond_Stereo_Count	0
10251	Total_Formal_Charge	0
21139953	XLogP3-AA	4.9
657237	Defined_Bond_Stereo_Count	0
11843834	Isotope_Atom_Count	0
5357258	Hydrogen_Bond_Acceptor_Count	0
320930	Total_Formal_Charge	0
596	Non-hydrogen_Atom_Count	17
25070193	Molecular_Weight	427.4
78771	Total_Formal_Charge	0
3955344	Tautomer_Count	16
287755	Hydrogen_Bond_Donor_Count	0
517313	Rotatable_Bond_Count	6
12519786	Structure_Complexity	127
9984488	Covalent_Unit_Count	1
102506015	Undefined_Bond_Stereo_Count	0
15951529	Exact_Mass	464.09300959
11519070	Mono_Isotopic_Weight	428.258954327
101063449	Exact_Mass	442.19915329
10219396	TPSA	26
20943	XLogP3	2.6
41545	Rotatable_Bond_Count	5
10772953	Non-hydrogen_Atom_Count	8
124886	Undefined_Atom_Stereo_Count	0
41022	Defined_Atom_Stereo_Count	0
39722	Total_Formal_Charge	0
17516	Defined_Atom_Stereo_Count	0
104285	Mono_Isotopic_Weight	213.99783514
58095461	Non-hydrogen_Atom_Count	7
11689	Tautomer_Count	5
875202	Rotatable_Bond_Count	3
3385	Molecular_Weight	130.08
6432729	Molecular_Weight	388.7
26560	Undefined_Bond_Stereo_Count	0
83287	TPSA	18.5
11329359	Hydrogen_Bond_Acceptor_Count	9
137184495	Non-hydrogen_Atom_Count	31
8363	Undefined_Atom_Stereo_Count	0
59059060	Mono_Isotopic_Weight	112.04367633
11347535	Molecular_Weight	313.77
6521	Defined_Bond_Stereo_Count	0
6680	Undefined_Bond_Stereo_Count	0
6473973	Non-hydrogen_Atom_Count	47
548353	Covalent_Unit_Count	1
133478	Total_Formal_Charge	0
390049	Mono_Isotopic_Weight	418.14163842
448812	Non-hydrogen_Atom_Count	57
17751002	Tautomer_Count	2
139062655	Covalent_Unit_Count	4
55910	Exact_Mass	306.07316
21975	Hydrogen_Bond_Acceptor_Count	9
11170934	XLogP3-AA	0.7
59755609	Undefined_Atom_Stereo_Count	12
156617950	Undefined_Atom_Stereo_Count	0
49248	Defined_Bond_Stereo_Count	0
13810419	Undefined_Bond_Stereo_Count	0
108059	Hydrogen_Bond_Acceptor_Count	4
131744	XLogP3-AA	0
123684474	Hydrogen_Bond_Donor_Count	0
64	TPSA	40.5
3052777	Non-hydrogen_Atom_Count	25
3445	TPSA	63.3
5009	Molecular_Weight	323.4
2967	TPSA	141
23724963	Total_Formal_Charge	0
25912	Undefined_Atom_Stereo_Count	0
68868	Defined_Atom_Stereo_Count	7
54084075	Non-hydrogen_Atom_Count	23
687906	Undefined_Bond_Stereo_Count	0
18952325	Defined_Bond_Stereo_Count	0
13331	Structure_Complexity	410
8411	Covalent_Unit_Count	1
34328	Covalent_Unit_Count	1
398652	Hydrogen_Bond_Acceptor_Count	5
10410468	Covalent_Unit_Count	1
80076	Tautomer_Count	1
941915	Covalent_Unit_Count	1
71833	Exact_Mass	243.0662210
7158	Undefined_Bond_Stereo_Count	0
347475	Exact_Mass	115.099714038
5352837	Exact_Mass	128.120115130
285	Hydrogen_Bond_Donor_Count	1
11417567	TPSA	68
61945	Exact_Mass	140.04081944
144813235	Structure_Complexity	139
91405	Hydrogen_Bond_Acceptor_Count	3
102430914	Undefined_Bond_Stereo_Count	0
21364	Hydrogen_Bond_Donor_Count	0
18954	Molecular_Weight	243.22
163317	Molecular_Weight	218.25
16536	Hydrogen_Bond_Acceptor_Count	2
21942990	XLogP3	0.2
123769339	Hydrogen_Bond_Acceptor_Count	2
83045	Tautomer_Count	1
23724510	Exact_Mass	1711.80301090
5281701	XLogP3	1
157706	Structure_Complexity	137
201538	Rotatable_Bond_Count	15
470375	Molecular_Weight	428.4
50100	Undefined_Bond_Stereo_Count	0
51711	Isotope_Atom_Count	0
13019066	XLogP3-AA	5.1
68778068	Defined_Atom_Stereo_Count	0
17239	Covalent_Unit_Count	1
22833307	Undefined_Atom_Stereo_Count	0
53490	Hydrogen_Bond_Donor_Count	2
65689	Hydrogen_Bond_Acceptor_Count	8
20059462	Undefined_Atom_Stereo_Count	3
11531537	Exact_Mass	404.26750763
9793926	Undefined_Atom_Stereo_Count	0
92210	Undefined_Atom_Stereo_Count	2
12594991	Hydrogen_Bond_Acceptor_Count	1
40467016	Hydrogen_Bond_Donor_Count	1
12123876	TPSA	0
11073376	Structure_Complexity	160
33344	Total_Formal_Charge	0
24635	Molecular_Weight	366.22
21123938	Mono_Isotopic_Weight	410.18417193
11789150	Total_Formal_Charge	0
23422066	TPSA	60.8
706992	Isotope_Atom_Count	0
14305	TPSA	20.2
20563296	Defined_Atom_Stereo_Count	0
16211409	Tautomer_Count	1
72014	Covalent_Unit_Count	1
25008120	Hydrogen_Bond_Acceptor_Count	15
22975832	Covalent_Unit_Count	1
1486935	Covalent_Unit_Count	1
137331882	Rotatable_Bond_Count	2
860695	Structure_Complexity	447
11349170	Exact_Mass	368.19607403
1198	Exact_Mass	192.02700259
546	Defined_Bond_Stereo_Count	0
17151	Defined_Atom_Stereo_Count	0
95864	Mono_Isotopic_Weight	178.00885060
14222	Total_Formal_Charge	0
22108	Hydrogen_Bond_Acceptor_Count	3
22087370	Defined_Atom_Stereo_Count	0
7490	Rotatable_Bond_Count	2
11344909	Isotope_Atom_Count	0
3005573	Rotatable_Bond_Count	9
449575	Defined_Atom_Stereo_Count	5
17103	Undefined_Bond_Stereo_Count	0
42827	Rotatable_Bond_Count	2
93680	Defined_Atom_Stereo_Count	0
5966	Hydrogen_Bond_Donor_Count	0
213840	Hydrogen_Bond_Donor_Count	0
59791	Undefined_Bond_Stereo_Count	0
71449988	Undefined_Bond_Stereo_Count	0
129703	Molecular_Weight	186.25
77013	Undefined_Bond_Stereo_Count	0
134687037	Covalent_Unit_Count	2
47721	TPSA	0
53851	Exact_Mass	317.235479232
59736263	TPSA	63.8
638071	Isotope_Atom_Count	0
72104	Rotatable_Bond_Count	1
700999	Rotatable_Bond_Count	2
5780	Structure_Complexity	105
49865918	Defined_Atom_Stereo_Count	2
56746	Exact_Mass	391.03202
73742	Mono_Isotopic_Weight	144.068748264
968625	Total_Formal_Charge	0
613365	Total_Formal_Charge	0
15887890	Defined_Bond_Stereo_Count	0
441371	Structure_Complexity	1550
7752	Covalent_Unit_Count	1
25210	Hydrogen_Bond_Donor_Count	2
517957	Tautomer_Count	1
829	Non-hydrogen_Atom_Count	8
10761920	Undefined_Atom_Stereo_Count	1
3036746	Total_Formal_Charge	0
439176	Structure_Complexity	352
105145	Mono_Isotopic_Weight	68.92557
83774	Tautomer_Count	1
23721821	Hydrogen_Bond_Donor_Count	4
89027474	Structure_Complexity	101
106951	Defined_Bond_Stereo_Count	0
57773	Defined_Atom_Stereo_Count	0
11634725	Tautomer_Count	44
135084	Rotatable_Bond_Count	9
39897	Covalent_Unit_Count	2
142796	Structure_Complexity	67.7
47519	Molecular_Weight	102.13
54605730	Undefined_Atom_Stereo_Count	1
62258	Isotope_Atom_Count	0
132420	Structure_Complexity	451
10963	Tautomer_Count	1
44521019	Rotatable_Bond_Count	6
77317	Defined_Atom_Stereo_Count	0
16741878	Isotope_Atom_Count	0
447634	Isotope_Atom_Count	0
135565424	Mono_Isotopic_Weight	266.14528450
136323	XLogP3-AA	2
122534114	TPSA	190
2540	Non-hydrogen_Atom_Count	45
52936034	Defined_Bond_Stereo_Count	0
49787001	Molecular_Weight	446.4
41980	Structure_Complexity	296
11083832	Covalent_Unit_Count	1
8854	XLogP3	0
17912	Covalent_Unit_Count	1
6917959	Rotatable_Bond_Count	5
38882	Hydrogen_Bond_Donor_Count	4
132941102	Defined_Atom_Stereo_Count	15
14866914	Non-hydrogen_Atom_Count	7
4317	Undefined_Bond_Stereo_Count	0
9904746	Non-hydrogen_Atom_Count	19
91264731	Molecular_Weight	94.15
6700	Structure_Complexity	783
83971	Molecular_Weight	893.0
71462510	Non-hydrogen_Atom_Count	28
71311162	Exact_Mass	484.072670
105426996	Structure_Complexity	134
1277665	Structure_Complexity	96.3
138593	XLogP3-AA	3
54692950	Tautomer_Count	1000
101828545	Undefined_Bond_Stereo_Count	0
10630446	Molecular_Weight	100.12
127036660	Total_Formal_Charge	0
6328	Tautomer_Count	1
69685	TPSA	45.5
6472	Non-hydrogen_Atom_Count	21
673681	Molecular_Weight	155.18
2745687	Hydrogen_Bond_Acceptor_Count	7
5783	Undefined_Bond_Stereo_Count	0
54580	Hydrogen_Bond_Donor_Count	1
732872	TPSA	54
945090	Rotatable_Bond_Count	4
13748	Defined_Atom_Stereo_Count	0
16683004	Exact_Mass	1052.40908
25019940	Covalent_Unit_Count	1
653817	Total_Formal_Charge	0
4674	Covalent_Unit_Count	1
2733708	Defined_Bond_Stereo_Count	0
118855910	Defined_Bond_Stereo_Count	0
19430196	Undefined_Atom_Stereo_Count	0
40605	Hydrogen_Bond_Acceptor_Count	8
19077552	Exact_Mass	303.162314293
30209	Defined_Atom_Stereo_Count	0
74839	Structure_Complexity	234
71880	Hydrogen_Bond_Donor_Count	2
3032306	Defined_Bond_Stereo_Count	0
3031	Hydrogen_Bond_Acceptor_Count	1
193653	Defined_Atom_Stereo_Count	1
101526	Structure_Complexity	727
135398596	Tautomer_Count	9
12830793	XLogP3-AA	1.8
10455	Non-hydrogen_Atom_Count	9
91061	Total_Formal_Charge	0
156285535	Isotope_Atom_Count	0
3020	Covalent_Unit_Count	1
23663982	Hydrogen_Bond_Acceptor_Count	5
11269297	Structure_Complexity	535
9821849	Tautomer_Count	1
10391	Hydrogen_Bond_Acceptor_Count	1
53705537	Defined_Bond_Stereo_Count	0
9982	Molecular_Weight	163.26
70691434	TPSA	52.6
469	Covalent_Unit_Count	1
10278166	Mono_Isotopic_Weight	489.989931
19003653	TPSA	12
60936	Hydrogen_Bond_Donor_Count	2
143368400	TPSA	0
19159	Non-hydrogen_Atom_Count	21
17753912	Isotope_Atom_Count	0
22612	Undefined_Bond_Stereo_Count	0
58093	Defined_Bond_Stereo_Count	0
10217663	TPSA	77
198	Covalent_Unit_Count	1
25244520	Exact_Mass	166.97454984
107694	TPSA	101
3628	Hydrogen_Bond_Acceptor_Count	10
15411	Rotatable_Bond_Count	0
47320	Undefined_Bond_Stereo_Count	0
70722	Defined_Bond_Stereo_Count	0
148140	Exact_Mass	161.084063974
2775510	Non-hydrogen_Atom_Count	22
543	Structure_Complexity	304
10027816	Undefined_Atom_Stereo_Count	1
53993480	Covalent_Unit_Count	1
76589	XLogP3-AA	2.6
78414	Hydrogen_Bond_Donor_Count	0
75496	Rotatable_Bond_Count	4
97780	XLogP3	3
365	TPSA	389
134692135	Isotope_Atom_Count	0
25572	Defined_Bond_Stereo_Count	0
99295	Defined_Atom_Stereo_Count	0
684433	XLogP3-AA	3.2
10195	Defined_Atom_Stereo_Count	0
19687	Hydrogen_Bond_Acceptor_Count	8
68216	Total_Formal_Charge	0
19860177	Molecular_Weight	99.13
22134406	Molecular_Weight	113.11
56518	Total_Formal_Charge	0
11596983	Exact_Mass	422.21066147
51049607	Undefined_Atom_Stereo_Count	0
10877967	Hydrogen_Bond_Donor_Count	0
156839069	Isotope_Atom_Count	0
20169	Mono_Isotopic_Weight	312.13615911
54111	Defined_Bond_Stereo_Count	0
10775424	Undefined_Bond_Stereo_Count	0
68557	Rotatable_Bond_Count	10
89518758	Structure_Complexity	382
107805	Undefined_Atom_Stereo_Count	0
60196351	Structure_Complexity	340
7017	Total_Formal_Charge	0
7198	TPSA	52.6
4560	Exact_Mass	375.98604
223407	Isotope_Atom_Count	0
89708952	Defined_Atom_Stereo_Count	0
9508	XLogP3-AA	0
67241466	Non-hydrogen_Atom_Count	26
32283	Hydrogen_Bond_Acceptor_Count	2
220272	Hydrogen_Bond_Acceptor_Count	3
61530	Undefined_Atom_Stereo_Count	6
75605138	Hydrogen_Bond_Donor_Count	2
5081356	Structure_Complexity	1080
93706	Undefined_Bond_Stereo_Count	0
20136721	Structure_Complexity	108
34051	Rotatable_Bond_Count	3
11115995	Covalent_Unit_Count	1
11749858	Defined_Bond_Stereo_Count	0
8072	Structure_Complexity	23.5
589692	Molecular_Weight	146.15
11581936	Molecular_Weight	392.5
5284369	Covalent_Unit_Count	1
135532293	Defined_Atom_Stereo_Count	0
25202562	Molecular_Weight	356.75
53477778	Mono_Isotopic_Weight	518.18602241
1977386	XLogP3-AA	3.4
6423	Rotatable_Bond_Count	0
44310254	Total_Formal_Charge	0
72187569	TPSA	95.5
60196379	TPSA	94.8
442504	Non-hydrogen_Atom_Count	11
70686982	Molecular_Weight	514.0
10482134	Undefined_Atom_Stereo_Count	0
23695982	Hydrogen_Bond_Donor_Count	1
3045380	Total_Formal_Charge	0
4231972	Defined_Atom_Stereo_Count	0
6437392	Defined_Bond_Stereo_Count	2
10439	Covalent_Unit_Count	1
139820	Undefined_Atom_Stereo_Count	1
54557	Defined_Bond_Stereo_Count	0
6887	XLogP3-AA	4.4
11177439	Hydrogen_Bond_Donor_Count	4
12310948	Rotatable_Bond_Count	0
902	Undefined_Bond_Stereo_Count	0
7060524	Mono_Isotopic_Weight	112.063662883
60870	Mono_Isotopic_Weight	420.11437830
201412	Hydrogen_Bond_Donor_Count	6
102004933	Defined_Bond_Stereo_Count	0
7504	Isotope_Atom_Count	0
12896	Exact_Mass	242.08037557
85122	Rotatable_Bond_Count	1
70690020	Hydrogen_Bond_Acceptor_Count	5
5748152	Exact_Mass	324.183778013
3033053	Covalent_Unit_Count	1
40500	Tautomer_Count	1
4021	Mono_Isotopic_Weight	174.079312947
134925337	Molecular_Weight	101.15
17517	Defined_Atom_Stereo_Count	0
8026	Total_Formal_Charge	0
17461	Exact_Mass	904.04446352
129861997	Undefined_Bond_Stereo_Count	0
836	Defined_Atom_Stereo_Count	0
87905888	Covalent_Unit_Count	1
132035918	Rotatable_Bond_Count	0
162461	Molecular_Weight	213.27
70400351	Hydrogen_Bond_Donor_Count	1
17825297	Mono_Isotopic_Weight	110.109550447
6688	Covalent_Unit_Count	1
12717	Hydrogen_Bond_Donor_Count	2
139086359	Isotope_Atom_Count	0
16091096	Total_Formal_Charge	0
157355	Exact_Mass	344.13186158
9265	Undefined_Atom_Stereo_Count	0
4448	Total_Formal_Charge	0
123159	Exact_Mass	77.0391251595
63011	Mono_Isotopic_Weight	382.0931640
938845	Hydrogen_Bond_Donor_Count	0
21483017	Structure_Complexity	100
95433	Defined_Bond_Stereo_Count	0
141093	Undefined_Atom_Stereo_Count	0
21253562	Molecular_Weight	96.09
4571	Undefined_Bond_Stereo_Count	0
3335	Mono_Isotopic_Weight	254.094294304
155925852	Exact_Mass	820.19737416
885959	XLogP3-AA	3.1
5326161	Undefined_Bond_Stereo_Count	0
849	Exact_Mass	129.078978594
11114	Undefined_Bond_Stereo_Count	0
45117282	Exact_Mass	111.032028402
1238	Isotope_Atom_Count	0
61347	Rotatable_Bond_Count	3
28280	Undefined_Bond_Stereo_Count	0
129681963	Exact_Mass	269.0486528
10081060	Mono_Isotopic_Weight	183.07390984
12500872	Isotope_Atom_Count	0
68258	Mono_Isotopic_Weight	148.088815002
2224	Defined_Bond_Stereo_Count	0
132992789	Structure_Complexity	102
32731	Hydrogen_Bond_Acceptor_Count	6
2082	Isotope_Atom_Count	0
4914117	Molecular_Weight	258.30
39268	Defined_Atom_Stereo_Count	0
4551	TPSA	51.1
22714300	Hydrogen_Bond_Acceptor_Count	1
61508	Undefined_Atom_Stereo_Count	0
167180	Undefined_Bond_Stereo_Count	0
22020761	TPSA	18.5
1005	Exact_Mass	167.98237487
534258	Exact_Mass	100.088815002
135398561	Non-hydrogen_Atom_Count	33
668508	Rotatable_Bond_Count	4
483765	Structure_Complexity	479
89268685	Molecular_Weight	114.10
705	Tautomer_Count	48
10909501	Undefined_Bond_Stereo_Count	0
11847	Rotatable_Bond_Count	0
10813654	Hydrogen_Bond_Acceptor_Count	10
167693	Molecular_Weight	114.22
11283	Undefined_Atom_Stereo_Count	0
24800211	Covalent_Unit_Count	2
39799	Mono_Isotopic_Weight	483.779990
14454747	Isotope_Atom_Count	0
24284832	Defined_Bond_Stereo_Count	0
86171	Defined_Atom_Stereo_Count	0
60966	Undefined_Bond_Stereo_Count	0
22967031	Isotope_Atom_Count	0
87063833	Rotatable_Bond_Count	0
65127	Rotatable_Bond_Count	3
4690818	Structure_Complexity	260
12275055	Undefined_Bond_Stereo_Count	0
44123551	Defined_Bond_Stereo_Count	1
2763788	Non-hydrogen_Atom_Count	16
91259187	Exact_Mass	94.078250319
30819	Covalent_Unit_Count	1
219608	Defined_Atom_Stereo_Count	0
91981561	Hydrogen_Bond_Donor_Count	3
16154490	Structure_Complexity	3940
58420421	Exact_Mass	110.084398327
963	TPSA	347
54686261	Molecular_Weight	386.4
412736	Rotatable_Bond_Count	6
65263	Mono_Isotopic_Weight	622.44478003
6971070	Covalent_Unit_Count	1
89990880	Hydrogen_Bond_Acceptor_Count	12
40520	Rotatable_Bond_Count	6
12642	Non-hydrogen_Atom_Count	6
129980649	Hydrogen_Bond_Donor_Count	1
6327580	Undefined_Atom_Stereo_Count	0
5352845	Isotope_Atom_Count	0
55300028	Non-hydrogen_Atom_Count	8
56845689	Undefined_Atom_Stereo_Count	1
11366997	Hydrogen_Bond_Donor_Count	1
573419	Molecular_Weight	110.11
5289289	XLogP3-AA	1.5
22986754	Mono_Isotopic_Weight	112.088815002
439255	TPSA	101
13653621	Structure_Complexity	636
22099238	Isotope_Atom_Count	0
16048622	Undefined_Bond_Stereo_Count	0
66679	Hydrogen_Bond_Donor_Count	0
101671175	Molecular_Weight	748.0
16131191	Undefined_Bond_Stereo_Count	0
94715	Molecular_Weight	194.14
682	Molecular_Weight	195.17
123156	Total_Formal_Charge	0
5364712	Exact_Mass	212.214015512
63449	Hydrogen_Bond_Donor_Count	2
442965	TPSA	6.5
11228765	Isotope_Atom_Count	0
5388961	Total_Formal_Charge	0
68304261	Total_Formal_Charge	0
6469	Isotope_Atom_Count	0
55264361	Mono_Isotopic_Weight	99.068413911
85117	Total_Formal_Charge	0
4834	Non-hydrogen_Atom_Count	36
11055399	Tautomer_Count	2
499953	Rotatable_Bond_Count	3
11675641	Defined_Atom_Stereo_Count	0
80376	Non-hydrogen_Atom_Count	6
135564751	Structure_Complexity	737
5281426	Undefined_Bond_Stereo_Count	0
64000	Mono_Isotopic_Weight	439.11366728
6360	XLogP3-AA	2.1
146050491	Structure_Complexity	2830
24958200	Structure_Complexity	449
2743	Hydrogen_Bond_Donor_Count	1
154518370	Hydrogen_Bond_Acceptor_Count	0
12754519	Structure_Complexity	77.7
14039	Exact_Mass	74.048012819
134688044	Hydrogen_Bond_Acceptor_Count	3
14789	Non-hydrogen_Atom_Count	7
129722163	Covalent_Unit_Count	3
21019405	TPSA	50.1
5283454	Molecular_Weight	325.5
8472	Molecular_Weight	124.08
14359030	Hydrogen_Bond_Donor_Count	0
9818021	Total_Formal_Charge	0
36976	TPSA	108
448799	Structure_Complexity	770
13413379	Undefined_Bond_Stereo_Count	0
118435360	Rotatable_Bond_Count	5
1899	Structure_Complexity	396
153774065	Defined_Bond_Stereo_Count	0
11717001	Hydrogen_Bond_Acceptor_Count	5
62369	Undefined_Bond_Stereo_Count	0
162747	Tautomer_Count	1
6436148	Defined_Atom_Stereo_Count	7
12387212	Structure_Complexity	54.9
115071571	Exact_Mass	114.068079557
10355488	Structure_Complexity	500
10898663	Undefined_Atom_Stereo_Count	1
23603	Hydrogen_Bond_Donor_Count	1
3050408	Structure_Complexity	836
5284614	Mono_Isotopic_Weight	311.1440774
13184	XLogP3	4.5
5281878	Non-hydrogen_Atom_Count	30
71721420	Rotatable_Bond_Count	1
91100506	Exact_Mass	98.011627311
1123	Tautomer_Count	1
631468	XLogP3-AA	2.2
6257	Defined_Atom_Stereo_Count	0
137547	Mono_Isotopic_Weight	84.021129366
44563177	Hydrogen_Bond_Acceptor_Count	7
441364	Undefined_Bond_Stereo_Count	0
3141	Undefined_Bond_Stereo_Count	0
16212118	Defined_Bond_Stereo_Count	0
54584750	Rotatable_Bond_Count	15
98468	Tautomer_Count	1
9926791	Total_Formal_Charge	0
59841	Hydrogen_Bond_Acceptor_Count	6
52939724	Hydrogen_Bond_Acceptor_Count	8
115197	Molecular_Weight	74.08
544563	Molecular_Weight	112.17
231010	Non-hydrogen_Atom_Count	19
410865	Structure_Complexity	370
118104	Non-hydrogen_Atom_Count	8
19985227	Hydrogen_Bond_Donor_Count	1
93843	Covalent_Unit_Count	1
57829	Mono_Isotopic_Weight	196.0421705
155087254	Non-hydrogen_Atom_Count	85
665063	Rotatable_Bond_Count	4
516910	TPSA	52.5
34468	Hydrogen_Bond_Acceptor_Count	9
23079599	Total_Formal_Charge	0
88482362	Hydrogen_Bond_Donor_Count	0
84930	Molecular_Weight	202.25
57318251	Isotope_Atom_Count	0
6178111	Non-hydrogen_Atom_Count	17
12276	Non-hydrogen_Atom_Count	10
55276371	Defined_Atom_Stereo_Count	0
4369496	Isotope_Atom_Count	0
3052	Hydrogen_Bond_Donor_Count	0
2766847	Covalent_Unit_Count	1
619387	Defined_Bond_Stereo_Count	0
135975	TPSA	0
13945	Defined_Bond_Stereo_Count	0
24916897	Defined_Atom_Stereo_Count	4
80009	Isotope_Atom_Count	0
90788020	Exact_Mass	114.068079557
8200	Structure_Complexity	78.6
17131	Defined_Atom_Stereo_Count	0
14852098	Rotatable_Bond_Count	2
543562	Defined_Bond_Stereo_Count	0
1479	Undefined_Bond_Stereo_Count	1
22220113	TPSA	59.2
268488	Total_Formal_Charge	0
25208	Non-hydrogen_Atom_Count	12
23724801	Mono_Isotopic_Weight	375.1601214
68510675	Hydrogen_Bond_Acceptor_Count	6
44318267	Rotatable_Bond_Count	6
15276695	Molecular_Weight	99.13
99338	Isotope_Atom_Count	0
24825264	Hydrogen_Bond_Acceptor_Count	7
667498	Defined_Bond_Stereo_Count	0
11319053	Undefined_Bond_Stereo_Count	0
83859	Total_Formal_Charge	0
25023858	Structure_Complexity	702
21058180	Hydrogen_Bond_Donor_Count	0
28650	Total_Formal_Charge	0
66663660	Total_Formal_Charge	0
542762	Hydrogen_Bond_Acceptor_Count	2
62719	TPSA	31
5329103	XLogP3-AA	3.2
10558611	Total_Formal_Charge	0
56964111	Covalent_Unit_Count	1
131999	Exact_Mass	326.96354
568783	Rotatable_Bond_Count	2
54682463	Undefined_Bond_Stereo_Count	0
40566100	Defined_Bond_Stereo_Count	0
439156	Defined_Bond_Stereo_Count	0
15116	TPSA	45.3
7020337	Exact_Mass	477.09994880
72199381	Structure_Complexity	558
2473	Defined_Bond_Stereo_Count	0
22607060	Hydrogen_Bond_Donor_Count	0
19040543	Total_Formal_Charge	0
71643	Undefined_Bond_Stereo_Count	0
3092	Total_Formal_Charge	0
6837	Total_Formal_Charge	0
6610	Defined_Bond_Stereo_Count	0
124524515	Molecular_Weight	342.30
55286004	Undefined_Atom_Stereo_Count	1
19920	Undefined_Bond_Stereo_Count	0
11286453	Total_Formal_Charge	0
54910	Mono_Isotopic_Weight	261.0556563
5328791	TPSA	81.3
6918412	TPSA	246
55263	Non-hydrogen_Atom_Count	16
47953	Defined_Bond_Stereo_Count	0
85743571	Structure_Complexity	101
6850729	Isotope_Atom_Count	0
21339024	Covalent_Unit_Count	1
25142313	Covalent_Unit_Count	1
14581	Non-hydrogen_Atom_Count	15
3123	Hydrogen_Bond_Donor_Count	4
53319417	Hydrogen_Bond_Acceptor_Count	5
57938	Total_Formal_Charge	0
139088080	Non-hydrogen_Atom_Count	21
13052632	Hydrogen_Bond_Donor_Count	2
126894	Isotope_Atom_Count	0
449619	Structure_Complexity	61.8
57485872	Non-hydrogen_Atom_Count	8
2795	Hydrogen_Bond_Acceptor_Count	2
14341511	XLogP3-AA	0.2
8809	Undefined_Bond_Stereo_Count	0
71306478	Rotatable_Bond_Count	3
42840	Mono_Isotopic_Weight	337.862653
6369059	Defined_Atom_Stereo_Count	0
163090688	XLogP3-AA	2.1
16842	TPSA	37.4
5702160	Exact_Mass	337.04493627
54685047	Isotope_Atom_Count	0
2724048	TPSA	49.4
145454105	Exact_Mass	358.14884905
131400288	Hydrogen_Bond_Acceptor_Count	3
6303	Undefined_Bond_Stereo_Count	0
67516	Tautomer_Count	2
5469318	Undefined_Atom_Stereo_Count	0
59392023	Hydrogen_Bond_Acceptor_Count	1
67248272	Hydrogen_Bond_Donor_Count	1
31098	Total_Formal_Charge	0
20490762	Mono_Isotopic_Weight	122.00376522
26250	Undefined_Atom_Stereo_Count	0
2533	Molecular_Weight	790.8
31195	Structure_Complexity	206
60196352	Defined_Bond_Stereo_Count	0
643587	Total_Formal_Charge	0
135987619	Undefined_Atom_Stereo_Count	0
145188444	Molecular_Weight	114.15
3587356	Structure_Complexity	61
16051995	Non-hydrogen_Atom_Count	53
54693768	Defined_Bond_Stereo_Count	0
59653	Structure_Complexity	492
389521	Isotope_Atom_Count	0
129664338	Hydrogen_Bond_Donor_Count	1
23625548	Defined_Bond_Stereo_Count	1
86711	XLogP3-AA	4.9
637921	Exact_Mass	67.042199164
675533	TPSA	77.2
15221251	Non-hydrogen_Atom_Count	23
148191	Isotope_Atom_Count	0
18506394	Covalent_Unit_Count	1
9133	Mono_Isotopic_Weight	203.073499291
27383	Covalent_Unit_Count	1
12468309	Non-hydrogen_Atom_Count	8
12674802	Exact_Mass	304.78323
566685	Hydrogen_Bond_Donor_Count	0
65923	Hydrogen_Bond_Donor_Count	0
142482	Defined_Bond_Stereo_Count	0
731361	Undefined_Bond_Stereo_Count	1
140650857	Hydrogen_Bond_Donor_Count	1
22650	XLogP3	4.1
281	Rotatable_Bond_Count	0
9047	Structure_Complexity	376
69942112	Mono_Isotopic_Weight	118.062994177
19897050	Exact_Mass	114.068079557
443879	Tautomer_Count	90
54688	Covalent_Unit_Count	1
5479141	Undefined_Bond_Stereo_Count	0
72200848	XLogP3-AA	5.6
57752105	Rotatable_Bond_Count	7
54573150	Structure_Complexity	137
60196328	Tautomer_Count	1
5462507	Molecular_Weight	327.4
1771194	Structure_Complexity	702
130918	Isotope_Atom_Count	0
22038	Defined_Atom_Stereo_Count	0
55560	Hydrogen_Bond_Acceptor_Count	8
11249342	XLogP3	2.3
3780	Defined_Atom_Stereo_Count	0
10428273	Covalent_Unit_Count	1
4228493	Mono_Isotopic_Weight	118.0185425
42521	Total_Formal_Charge	0
20696068	Isotope_Atom_Count	0
24181805	Non-hydrogen_Atom_Count	28
66624088	TPSA	54.7
5367719	Total_Formal_Charge	0
8446	Defined_Bond_Stereo_Count	0
101148	XLogP3	1.8
91475	Rotatable_Bond_Count	2
91667835	Rotatable_Bond_Count	4
117640	Structure_Complexity	197
22246713	TPSA	55.6
21584701	XLogP3-AA	3
5280531	Undefined_Atom_Stereo_Count	0
10987299	Isotope_Atom_Count	0
5015	Non-hydrogen_Atom_Count	19
56603751	Defined_Atom_Stereo_Count	0
75112	Isotope_Atom_Count	0
65445	Undefined_Bond_Stereo_Count	0
13918	Hydrogen_Bond_Acceptor_Count	1
90941377	Molecular_Weight	425.4
87455238	Undefined_Bond_Stereo_Count	0
5282198	Exact_Mass	266.224580195
80302	Undefined_Bond_Stereo_Count	1
14410	Rotatable_Bond_Count	2
480785	Defined_Bond_Stereo_Count	0
376	Covalent_Unit_Count	1
15739356	Structure_Complexity	127
44414728	Molecular_Weight	380.8
12310749	Defined_Atom_Stereo_Count	7
38980	Total_Formal_Charge	0
161930	Hydrogen_Bond_Donor_Count	2
520901	Undefined_Atom_Stereo_Count	0
23652660	Rotatable_Bond_Count	5
10723	Isotope_Atom_Count	0
1084	Exact_Mass	111.92888620
76700	Defined_Bond_Stereo_Count	0
161094262	Structure_Complexity	15.5
54693768	Structure_Complexity	618
54697325	Hydrogen_Bond_Acceptor_Count	10
134551	Hydrogen_Bond_Acceptor_Count	6
44669160	TPSA	91.8
145706202	Non-hydrogen_Atom_Count	33
9754	Isotope_Atom_Count	0
124072	Exact_Mass	372.15728848
44339100	Undefined_Atom_Stereo_Count	0
68745835	Hydrogen_Bond_Donor_Count	1
68266	Exact_Mass	146.073164938
81770	Molecular_Weight	102.18
71341351	Undefined_Bond_Stereo_Count	1
23704140	Structure_Complexity	880
86876	Hydrogen_Bond_Donor_Count	0
522065	Defined_Atom_Stereo_Count	0
421876	Isotope_Atom_Count	0
76216	Undefined_Atom_Stereo_Count	0
5382	Hydrogen_Bond_Acceptor_Count	4
60196425	Molecular_Weight	491.3
136873	Mono_Isotopic_Weight	99.068413911
3710788	Structure_Complexity	66.5
2781	Undefined_Bond_Stereo_Count	0
6418	Total_Formal_Charge	0
3353976	Rotatable_Bond_Count	5
13595226	Undefined_Atom_Stereo_Count	1
69319	TPSA	14.4
434207	Defined_Bond_Stereo_Count	0
20339874	Defined_Bond_Stereo_Count	0
119101	Tautomer_Count	3
55790	TPSA	34.5
14020410	Total_Formal_Charge	0
6552009	Molecular_Weight	154.25
101925	Hydrogen_Bond_Donor_Count	2
2435	Undefined_Bond_Stereo_Count	0
107977	Undefined_Atom_Stereo_Count	1
45086609	Hydrogen_Bond_Donor_Count	2
5280795	Undefined_Atom_Stereo_Count	0
5284429	Undefined_Bond_Stereo_Count	0
7085	Hydrogen_Bond_Acceptor_Count	3
6186	Undefined_Bond_Stereo_Count	0
1549097	Tautomer_Count	1
67645	Mono_Isotopic_Weight	520.9695404
46879873	Defined_Bond_Stereo_Count	0
5289501	Covalent_Unit_Count	1
983	Exact_Mass	257.90955735
15798651	Hydrogen_Bond_Donor_Count	0
3556	Defined_Atom_Stereo_Count	0
11294	Structure_Complexity	516
137580	Structure_Complexity	55.4
4543	TPSA	12
47649	Rotatable_Bond_Count	2
137231010	Rotatable_Bond_Count	5
6857473	Hydrogen_Bond_Acceptor_Count	0
139073990	Molecular_Weight	284.35
46910592	Mono_Isotopic_Weight	658.22975722
25078013	Mono_Isotopic_Weight	1671.90967533
135539077	Undefined_Atom_Stereo_Count	0
8255	Exact_Mass	56.062600255
36811	Isotope_Atom_Count	0
520721	Isotope_Atom_Count	0
30930	Structure_Complexity	83.7
6451325	Hydrogen_Bond_Donor_Count	5
158432	Exact_Mass	313.03348495
4216	Defined_Atom_Stereo_Count	0
78579	Defined_Atom_Stereo_Count	0
5314562	TPSA	26.3
234839	Isotope_Atom_Count	0
18847	Tautomer_Count	1
90771502	Undefined_Atom_Stereo_Count	0
6428543	Rotatable_Bond_Count	5
23712863	Exact_Mass	105.1426841
12599600	Covalent_Unit_Count	1
9830317	Tautomer_Count	1
135442	XLogP3-AA	2.3
561488	Covalent_Unit_Count	1
539121	Molecular_Weight	228.33
7195	Rotatable_Bond_Count	0
44453028	Structure_Complexity	814
24257	Hydrogen_Bond_Donor_Count	0
230995	TPSA	26.3
33672	Covalent_Unit_Count	1
134693234	Total_Formal_Charge	0
91895934	Hydrogen_Bond_Acceptor_Count	9
22463764	Rotatable_Bond_Count	1
9616	Rotatable_Bond_Count	7
452254	Rotatable_Bond_Count	3
107901	Undefined_Atom_Stereo_Count	0
38532	Undefined_Bond_Stereo_Count	2
30373	Rotatable_Bond_Count	5
108381	Tautomer_Count	3
19348571	Hydrogen_Bond_Acceptor_Count	2
9577984	Isotope_Atom_Count	0
77266	XLogP3-AA	7.4
10364	Tautomer_Count	9
460621	Rotatable_Bond_Count	22
968688	XLogP3	3.5
17980829	Molecular_Weight	199.66
12754	Rotatable_Bond_Count	0
154240696	Mono_Isotopic_Weight	99.079647300
129010364	Structure_Complexity	1220
2853	Structure_Complexity	856
10952	Mono_Isotopic_Weight	118.0549280
42540	Non-hydrogen_Atom_Count	20
67277	Undefined_Bond_Stereo_Count	0
736500	Rotatable_Bond_Count	1
23653	Rotatable_Bond_Count	11
40839	Mono_Isotopic_Weight	753.41014911
84605	Mono_Isotopic_Weight	196.0978555
410875	XLogP3-AA	3.5
63079	Undefined_Bond_Stereo_Count	0
29934831	Hydrogen_Bond_Donor_Count	0
48483	Defined_Bond_Stereo_Count	0
13915315	Defined_Atom_Stereo_Count	0
918412	Exact_Mass	273.03644
736188	Isotope_Atom_Count	0
519514	Hydrogen_Bond_Donor_Count	1
8446	Exact_Mass	149.02992040
34695	Exact_Mass	106.078250319
5003	Molecular_Weight	541.5
653473	Defined_Atom_Stereo_Count	0
5400866	Isotope_Atom_Count	0
31200	Mono_Isotopic_Weight	277.01738065
6668	Isotope_Atom_Count	0
3037981	Covalent_Unit_Count	1
9948102	Undefined_Bond_Stereo_Count	0
10005402	Undefined_Bond_Stereo_Count	0
7428	Undefined_Atom_Stereo_Count	0
12648201	Covalent_Unit_Count	1
54793	XLogP3-AA	3.8
62274	Rotatable_Bond_Count	0
101148	Covalent_Unit_Count	1
3264	Total_Formal_Charge	0
135625230	Hydrogen_Bond_Donor_Count	10
638678	Covalent_Unit_Count	1
79571	Rotatable_Bond_Count	5
2383	Undefined_Bond_Stereo_Count	0
153577917	TPSA	9.2
10341154	Undefined_Atom_Stereo_Count	0
67374618	Molecular_Weight	398.5
68740	Molecular_Weight	272.09
21251781	Defined_Atom_Stereo_Count	0
10636633	Isotope_Atom_Count	0
77544	Rotatable_Bond_Count	4
1364	Hydrogen_Bond_Acceptor_Count	8
118388035	Total_Formal_Charge	0
67811115	Molecular_Weight	114.14
13507024	Tautomer_Count	23
4146595	Defined_Atom_Stereo_Count	0
460603	Molecular_Weight	496.6
5288494	Defined_Atom_Stereo_Count	0
154731141	Covalent_Unit_Count	2
81457	XLogP3-AA	0.8
76155	Undefined_Atom_Stereo_Count	0
59347	Hydrogen_Bond_Acceptor_Count	2
5743186	Molecular_Weight	703.8
6918096	Isotope_Atom_Count	0
685814	TPSA	73.2
25191018	Hydrogen_Bond_Donor_Count	2
44417326	Undefined_Atom_Stereo_Count	2
54427	Defined_Bond_Stereo_Count	0
58318269	Molecular_Weight	284.35
6437877	Defined_Bond_Stereo_Count	2
138358	TPSA	0
40637217	Isotope_Atom_Count	0
40466996	Hydrogen_Bond_Donor_Count	1
21889167	Mono_Isotopic_Weight	161.06880783
96701	Covalent_Unit_Count	1
12705044	Molecular_Weight	104.15
131632429	Hydrogen_Bond_Acceptor_Count	12
24006	Defined_Bond_Stereo_Count	0
104609	Undefined_Bond_Stereo_Count	0
2795565	Molecular_Weight	224.05
16769	Rotatable_Bond_Count	5
59177	Undefined_Atom_Stereo_Count	1
594	Hydrogen_Bond_Acceptor_Count	4
2324	Hydrogen_Bond_Acceptor_Count	8
135564996	Molecular_Weight	538.6
98341	Tautomer_Count	4
22649035	Isotope_Atom_Count	0
8855	Mono_Isotopic_Weight	106.0185425
125347	Mono_Isotopic_Weight	372.15460314
3906961	Mono_Isotopic_Weight	201.98101840
37114	TPSA	49.7
23079483	Isotope_Atom_Count	0
20093437	Exact_Mass	108.032362755
398745	TPSA	36.3
124992	Molecular_Weight	254.18
98633	Molecular_Weight	211.26
62475	Structure_Complexity	153
17238	Non-hydrogen_Atom_Count	7
459140	Molecular_Weight	314.3
25200272	Hydrogen_Bond_Donor_Count	6
24360	XLogP3-AA	1
198212	Molecular_Weight	179.17
2734232	Defined_Bond_Stereo_Count	0
12217061	XLogP3-AA	0.4
518964	Hydrogen_Bond_Donor_Count	0
11409	Undefined_Atom_Stereo_Count	0
17963208	XLogP3-AA	4.8
7263	Undefined_Atom_Stereo_Count	0
2734054	Total_Formal_Charge	0
5167	Covalent_Unit_Count	1
11434920	Hydrogen_Bond_Acceptor_Count	3
396765	Hydrogen_Bond_Acceptor_Count	2
442431	Exact_Mass	580.17920569
35908	TPSA	41.6
60196344	Structure_Complexity	773
4201	Exact_Mass	209.12766012
6604189	Hydrogen_Bond_Donor_Count	0
51668574	Mono_Isotopic_Weight	465.18212350
146157955	Rotatable_Bond_Count	8
66615627	Hydrogen_Bond_Acceptor_Count	6
10034603	Undefined_Bond_Stereo_Count	0
5789	Rotatable_Bond_Count	2
10721	Hydrogen_Bond_Donor_Count	0
556498	Undefined_Atom_Stereo_Count	4
74802	Defined_Bond_Stereo_Count	0
93519	Defined_Atom_Stereo_Count	0
73877	Structure_Complexity	155
521324	Mono_Isotopic_Weight	101.084063974
551296	Mono_Isotopic_Weight	114.104465066
5238	Covalent_Unit_Count	2
16078	Rotatable_Bond_Count	4
6441057	Exact_Mass	252.208930132
3905	Covalent_Unit_Count	1
6437387	Mono_Isotopic_Weight	416.32904526
67923265	Isotope_Atom_Count	0
126083	Hydrogen_Bond_Acceptor_Count	5
941650	Non-hydrogen_Atom_Count	30
6427057	Rotatable_Bond_Count	8
12363	Defined_Atom_Stereo_Count	0
92321	Hydrogen_Bond_Acceptor_Count	4
1548887	Total_Formal_Charge	0
123691367	TPSA	20.2
13627693	XLogP3-AA	0.3
155288862	Structure_Complexity	401
639662	Defined_Atom_Stereo_Count	0
16212969	Rotatable_Bond_Count	2
2733487	Undefined_Atom_Stereo_Count	0
82740	TPSA	317
199605	Defined_Atom_Stereo_Count	1
62323	Defined_Bond_Stereo_Count	0
7196	TPSA	55.8
101033892	Undefined_Atom_Stereo_Count	0
630355	Isotope_Atom_Count	0
10757	Rotatable_Bond_Count	2
54383554	TPSA	0
86656004	Undefined_Bond_Stereo_Count	0
12994	Mono_Isotopic_Weight	78.021798072
64956	Molecular_Weight	103.12
12265	Covalent_Unit_Count	1
410099	Defined_Bond_Stereo_Count	0
96381	Defined_Atom_Stereo_Count	0
60815	Mono_Isotopic_Weight	376.19982200
21059304	Total_Formal_Charge	0
171284	Exact_Mass	582.20608914
274412	Covalent_Unit_Count	1
24858870	XLogP3-AA	3.7
522636	Mono_Isotopic_Weight	346.14163842
29566	Hydrogen_Bond_Donor_Count	2
91272	Covalent_Unit_Count	1
25071151	Defined_Atom_Stereo_Count	0
83075	Undefined_Bond_Stereo_Count	0
21805409	Mono_Isotopic_Weight	104.094963011
17887248	Hydrogen_Bond_Donor_Count	2
441558	TPSA	18.5
1899	Undefined_Bond_Stereo_Count	0
23368901	Rotatable_Bond_Count	0
10129	Mono_Isotopic_Weight	138.140850574
78723	Structure_Complexity	403
316542	Rotatable_Bond_Count	3
11647372	Undefined_Atom_Stereo_Count	0
104904	Mono_Isotopic_Weight	199.12084340
4713215	Covalent_Unit_Count	1
24737	Non-hydrogen_Atom_Count	25
15758	Hydrogen_Bond_Donor_Count	2
5319879	Mono_Isotopic_Weight	356.29265975
151194	Hydrogen_Bond_Acceptor_Count	4
65492	Structure_Complexity	583
5281517	Non-hydrogen_Atom_Count	15
31072	Covalent_Unit_Count	1
31254	Hydrogen_Bond_Donor_Count	1
95083	Hydrogen_Bond_Donor_Count	1
84762050	Defined_Bond_Stereo_Count	0
74710	Non-hydrogen_Atom_Count	9
80085	Isotope_Atom_Count	0
22879	TPSA	157
135415794	Defined_Atom_Stereo_Count	4
503737	Undefined_Bond_Stereo_Count	0
284314	Defined_Atom_Stereo_Count	0
688378	Isotope_Atom_Count	0
6996	Covalent_Unit_Count	1
57515	Hydrogen_Bond_Donor_Count	2
925852	Total_Formal_Charge	0
16683008	Isotope_Atom_Count	0
71307072	Undefined_Atom_Stereo_Count	0
71343993	Structure_Complexity	79.8
135802074	Defined_Bond_Stereo_Count	0
23513454	Total_Formal_Charge	0
5284451	Exact_Mass	401.19507097
66609526	Exact_Mass	110.048012819
53316376	Mono_Isotopic_Weight	516.07286792
87096	Undefined_Atom_Stereo_Count	0
99	TPSA	389
315341	Total_Formal_Charge	0
11954236	Isotope_Atom_Count	0
847313	Mono_Isotopic_Weight	296.09431156
93374	Structure_Complexity	65.3
11199915	Mono_Isotopic_Weight	382.18925731
59283	Rotatable_Bond_Count	2
76507	Hydrogen_Bond_Acceptor_Count	3
135451068	Covalent_Unit_Count	1
92722	Molecular_Weight	508.6
13661	Non-hydrogen_Atom_Count	13
7011	Hydrogen_Bond_Donor_Count	1
166918	Hydrogen_Bond_Donor_Count	6
5462951	Undefined_Atom_Stereo_Count	2
44338763	Undefined_Bond_Stereo_Count	0
18924037	Undefined_Bond_Stereo_Count	0
129320410	Undefined_Atom_Stereo_Count	1
3035657	Tautomer_Count	2
408536	Undefined_Atom_Stereo_Count	1
201453	Non-hydrogen_Atom_Count	11
11974215	Defined_Atom_Stereo_Count	0
5464200	Rotatable_Bond_Count	9
12312963	Undefined_Atom_Stereo_Count	0
27808	Tautomer_Count	3
444885	Structure_Complexity	403
17986197	Structure_Complexity	156
9926054	Tautomer_Count	5
23615408	Defined_Bond_Stereo_Count	0
193168	Covalent_Unit_Count	1
36209	Rotatable_Bond_Count	9
2968	Isotope_Atom_Count	0
705	Undefined_Bond_Stereo_Count	0
15178985	Exact_Mass	114.068079557
3668575	Non-hydrogen_Atom_Count	21
5280053	Isotope_Atom_Count	0
3525005	TPSA	38.8
24823847	Total_Formal_Charge	0
73919	Undefined_Bond_Stereo_Count	0
21138	Molecular_Weight	259.34
13006129	Defined_Atom_Stereo_Count	4
24744154	Exact_Mass	421.08833875
78406	Non-hydrogen_Atom_Count	21
9704	Undefined_Bond_Stereo_Count	0
65595	Undefined_Bond_Stereo_Count	0
5288615	Molecular_Weight	398.5
5326160	Structure_Complexity	27
9867605	Mono_Isotopic_Weight	434.0297083
21673601	Defined_Atom_Stereo_Count	0
6442793	Rotatable_Bond_Count	5
11256587	Hydrogen_Bond_Acceptor_Count	4
9969177	TPSA	106
70683024	Hydrogen_Bond_Donor_Count	12
11267	Hydrogen_Bond_Donor_Count	3
5365125	Rotatable_Bond_Count	16
73828	Rotatable_Bond_Count	2
16270	Mono_Isotopic_Weight	112.125200510
71773	Defined_Bond_Stereo_Count	0
54150248	Isotope_Atom_Count	0
10031428	Non-hydrogen_Atom_Count	43
15910	Isotope_Atom_Count	0
85505	Exact_Mass	184.9879707
87291665	Isotope_Atom_Count	0
10044	Isotope_Atom_Count	0
10435654	Hydrogen_Bond_Acceptor_Count	3
43517	Mono_Isotopic_Weight	301.11365002
15047014	Undefined_Atom_Stereo_Count	2
263086	Tautomer_Count	2
72943	Covalent_Unit_Count	1
188966	Total_Formal_Charge	0
14340	Defined_Atom_Stereo_Count	0
91867648	Exact_Mass	13.005739
89578803	Total_Formal_Charge	0
444182	Undefined_Bond_Stereo_Count	0
217409	Tautomer_Count	4
122214398	Covalent_Unit_Count	1
69341007	Undefined_Atom_Stereo_Count	0
11073376	Hydrogen_Bond_Donor_Count	2
5497174	Total_Formal_Charge	0
75282	Molecular_Weight	170.16
75355757	Rotatable_Bond_Count	2
53682689	TPSA	17.1
12140167	Undefined_Bond_Stereo_Count	0
6249	Covalent_Unit_Count	1
10048368	Undefined_Atom_Stereo_Count	0
85257	Exact_Mass	94.98029013
93104	XLogP3-AA	3.8
303830	Total_Formal_Charge	0
78477	Undefined_Atom_Stereo_Count	0
6440900	TPSA	66.8
11501341	Undefined_Atom_Stereo_Count	0
23582412	XLogP3-AA	2.8
129709955	Non-hydrogen_Atom_Count	19
4237	Non-hydrogen_Atom_Count	25
5359541	Hydrogen_Bond_Acceptor_Count	0
129650960	Hydrogen_Bond_Acceptor_Count	11
66726979	Hydrogen_Bond_Acceptor_Count	8
5284382	Tautomer_Count	1
44338785	Hydrogen_Bond_Donor_Count	4
46882191	Hydrogen_Bond_Donor_Count	1
52165	TPSA	74.8
39424	Covalent_Unit_Count	2
668	Isotope_Atom_Count	0
82789	Defined_Bond_Stereo_Count	0
13380150	Undefined_Bond_Stereo_Count	0
6409841	Isotope_Atom_Count	0
147007373	Hydrogen_Bond_Acceptor_Count	1
672296	Non-hydrogen_Atom_Count	14
6436223	Hydrogen_Bond_Donor_Count	4
567600	Defined_Atom_Stereo_Count	0
17616	Molecular_Weight	168.23
9543528	TPSA	36.3
24901285	Exact_Mass	545.1306684
19739476	Non-hydrogen_Atom_Count	7
46078	Hydrogen_Bond_Donor_Count	1
23897	Structure_Complexity	354
146159909	Rotatable_Bond_Count	13
24848330	Total_Formal_Charge	1
612743	Hydrogen_Bond_Donor_Count	1
51003592	Undefined_Bond_Stereo_Count	0
15811016	Structure_Complexity	53.3
198212	Structure_Complexity	227
72568	Rotatable_Bond_Count	9
13062961	Isotope_Atom_Count	0
4878	Molecular_Weight	301.77
6986	Total_Formal_Charge	0
7387	Non-hydrogen_Atom_Count	13
190550	TPSA	38
27712	Covalent_Unit_Count	1
14464	Tautomer_Count	1
12928049	Undefined_Bond_Stereo_Count	0
92821	Defined_Bond_Stereo_Count	0
136060671	Molecular_Weight	181.23
66663660	Non-hydrogen_Atom_Count	7
22091090	Covalent_Unit_Count	1
10909503	Structure_Complexity	57.2
668620	TPSA	66.1
6115	Isotope_Atom_Count	0
504571	Undefined_Bond_Stereo_Count	0
6350	Covalent_Unit_Count	1
34001	Undefined_Atom_Stereo_Count	0
129600762	TPSA	190
25780	Defined_Atom_Stereo_Count	0
54586720	Hydrogen_Bond_Donor_Count	1
351770	Undefined_Bond_Stereo_Count	0
6518171	Defined_Bond_Stereo_Count	0
9297	Isotope_Atom_Count	0
13611193	Covalent_Unit_Count	1
31170	Defined_Bond_Stereo_Count	0
411862	Isotope_Atom_Count	0
6918078	Structure_Complexity	402
6453851	Defined_Atom_Stereo_Count	0
43834	Mono_Isotopic_Weight	256.109944368
21492	Total_Formal_Charge	0
10839	Mono_Isotopic_Weight	359.24604391
123298786	Isotope_Atom_Count	0
60165517	Rotatable_Bond_Count	5
5459830	Undefined_Bond_Stereo_Count	0
59296000	XLogP3-AA	3.8
20441	Covalent_Unit_Count	1
17907809	TPSA	69.6
11164	Structure_Complexity	35.9
25050	Non-hydrogen_Atom_Count	17
198791	Undefined_Bond_Stereo_Count	0
17787659	Exact_Mass	112.063662883
38895	Tautomer_Count	1
82153	Undefined_Bond_Stereo_Count	0
85025	Total_Formal_Charge	0
3686723	XLogP3-AA	3.9
444305	Covalent_Unit_Count	1
129307545	Mono_Isotopic_Weight	423.37298248
16767378	Molecular_Weight	182.19
74408664	Non-hydrogen_Atom_Count	36
53702849	Structure_Complexity	87.7
21873177	Hydrogen_Bond_Acceptor_Count	15
139256539	Defined_Atom_Stereo_Count	5
14536436	Isotope_Atom_Count	0
96509	Total_Formal_Charge	0
7417	Covalent_Unit_Count	1
11235360	Total_Formal_Charge	0
6327132	Total_Formal_Charge	0
9865	Tautomer_Count	1
5419	XLogP3-AA	1.8
5543	Non-hydrogen_Atom_Count	16
20725980	Covalent_Unit_Count	1
10176126	Covalent_Unit_Count	1
1551136	Undefined_Bond_Stereo_Count	0
694041	Total_Formal_Charge	0
20243371	Mono_Isotopic_Weight	160.94971364
141508	Undefined_Atom_Stereo_Count	2
153238571	Molecular_Weight	180.16
77456	Rotatable_Bond_Count	0
9949821	Covalent_Unit_Count	1
7048767	Mono_Isotopic_Weight	324.183778013
88534608	Hydrogen_Bond_Donor_Count	0
9808844	Isotope_Atom_Count	0
18787571	Total_Formal_Charge	0
2020	Molecular_Weight	385.5
216324	Hydrogen_Bond_Donor_Count	1
6431301	Defined_Atom_Stereo_Count	2
20759	Exact_Mass	150.068079557
349711	Rotatable_Bond_Count	1
704481	Defined_Bond_Stereo_Count	0
21835817	Non-hydrogen_Atom_Count	7
69589310	Mono_Isotopic_Weight	114.104465066
3016416	Total_Formal_Charge	0
53734710	Molecular_Weight	61.06
224004	Defined_Atom_Stereo_Count	8
156618179	Exact_Mass	342.11621151
100964856	XLogP3-AA	0.1
53584	Rotatable_Bond_Count	8
314710	Exact_Mass	171.99426317
854150	XLogP3	3.1
6419719	Mono_Isotopic_Weight	101.011292958
8916	Hydrogen_Bond_Acceptor_Count	1
91760	Covalent_Unit_Count	1
771852	Molecular_Weight	302.30
53385579	Defined_Atom_Stereo_Count	4
10171348	Rotatable_Bond_Count	2
84731066	Total_Formal_Charge	0
13420638	Hydrogen_Bond_Donor_Count	0
346327	Rotatable_Bond_Count	3
278580	Molecular_Weight	116.11
657378	Hydrogen_Bond_Acceptor_Count	8
322	Structure_Complexity	178
57131110	Structure_Complexity	179
19043237	Exact_Mass	104.094963011
7257	Defined_Atom_Stereo_Count	0
66384	Undefined_Bond_Stereo_Count	0
136335	Undefined_Atom_Stereo_Count	0
9899007	Total_Formal_Charge	0
165901	Mono_Isotopic_Weight	307.0975211
68119	Hydrogen_Bond_Acceptor_Count	4
3731	Isotope_Atom_Count	0
12132	Defined_Bond_Stereo_Count	0
455742	Hydrogen_Bond_Acceptor_Count	12
83224	Mono_Isotopic_Weight	214.15689456
73167270	Hydrogen_Bond_Acceptor_Count	2
14809442	Structure_Complexity	102
24290	Defined_Atom_Stereo_Count	0
91850189	Undefined_Bond_Stereo_Count	0
87010	XLogP3-AA	1
21326601	Covalent_Unit_Count	1
274418	Mono_Isotopic_Weight	124.052429494
6918649	Hydrogen_Bond_Donor_Count	2
5284613	Mono_Isotopic_Weight	530.28796829
263639	Covalent_Unit_Count	1
273577	Exact_Mass	248.131348519
6329567	Rotatable_Bond_Count	5
6918558	Defined_Bond_Stereo_Count	0
147246033	Defined_Atom_Stereo_Count	0
5889665	Isotope_Atom_Count	0
84788	Molecular_Weight	152.09
46724	Rotatable_Bond_Count	4
10909908	Covalent_Unit_Count	1
60967	Exact_Mass	423.59541
70723	Isotope_Atom_Count	0
136835	Structure_Complexity	84.2
58561829	Total_Formal_Charge	0
23134	Defined_Atom_Stereo_Count	0
55289911	Defined_Bond_Stereo_Count	0
8356	Undefined_Atom_Stereo_Count	0
7755	XLogP3-AA	1.6
28506	Structure_Complexity	328
13240378	Exact_Mass	150.128274515
139670117	Total_Formal_Charge	0
45139106	Hydrogen_Bond_Acceptor_Count	8
90408860	Isotope_Atom_Count	0
21932619	Undefined_Bond_Stereo_Count	0
2559	Undefined_Bond_Stereo_Count	0
22857281	Undefined_Atom_Stereo_Count	0
71072113	Molecular_Weight	505.5
16757820	Undefined_Atom_Stereo_Count	1
163190000	Non-hydrogen_Atom_Count	50
16130295	TPSA	2820
139062526	Defined_Bond_Stereo_Count	0
131162679	Undefined_Atom_Stereo_Count	2
143061	Isotope_Atom_Count	0
10347891	Non-hydrogen_Atom_Count	39
165363121	Hydrogen_Bond_Donor_Count	0
10909502	Total_Formal_Charge	0
133612130	Hydrogen_Bond_Donor_Count	3
19366304	Rotatable_Bond_Count	7
129689385	Undefined_Atom_Stereo_Count	0
10285780	Undefined_Atom_Stereo_Count	1
251070	TPSA	52.6
17179	Molecular_Weight	332.2
16412	Undefined_Bond_Stereo_Count	0
15431	Hydrogen_Bond_Donor_Count	0
751341	Hydrogen_Bond_Acceptor_Count	4
1950	Defined_Atom_Stereo_Count	0
3031	Total_Formal_Charge	0
91410652	Molecular_Weight	114.14
9952884	Undefined_Atom_Stereo_Count	0
54929	Isotope_Atom_Count	0
2132	Mono_Isotopic_Weight	375.97859
40153	XLogP3-AA	2.8
20055283	Structure_Complexity	1780
12409173	Hydrogen_Bond_Acceptor_Count	1
76973133	Structure_Complexity	418
3015569	Undefined_Atom_Stereo_Count	0
80690	TPSA	64.9
20357	Molecular_Weight	172.26
60196408	Defined_Atom_Stereo_Count	1
12355883	Undefined_Atom_Stereo_Count	0
46893453	Covalent_Unit_Count	1
8099	Rotatable_Bond_Count	9
12866541	Hydrogen_Bond_Donor_Count	0
11262	Exact_Mass	100.088815002
3035405	Exact_Mass	1212.68532087
14022497	Isotope_Atom_Count	0
11020	Defined_Atom_Stereo_Count	0
33733	Covalent_Unit_Count	1
23617864	Mono_Isotopic_Weight	210.161979940
336423	Defined_Atom_Stereo_Count	0
68675439	Undefined_Bond_Stereo_Count	0
54023535	Undefined_Bond_Stereo_Count	0
123212370	Defined_Bond_Stereo_Count	0
73943	Undefined_Bond_Stereo_Count	0
5328791	Covalent_Unit_Count	1
16656	Exact_Mass	128.156500638
54936	Total_Formal_Charge	0
71625031	Mono_Isotopic_Weight	487.22711999
62963	Undefined_Bond_Stereo_Count	0
56890	Hydrogen_Bond_Donor_Count	0
8364	Exact_Mass	250.15689456
134823887	Covalent_Unit_Count	2
2882	Isotope_Atom_Count	0
12669583	Undefined_Atom_Stereo_Count	1
31497	Mono_Isotopic_Weight	235.12084340
135297777	Structure_Complexity	733
20165534	Total_Formal_Charge	0
5287991	Rotatable_Bond_Count	9
642633	Molecular_Weight	114.19
580104	Undefined_Atom_Stereo_Count	0
159324	Isotope_Atom_Count	0
71361084	Defined_Bond_Stereo_Count	0
87355672	Non-hydrogen_Atom_Count	8
15942892	TPSA	156
5311312	TPSA	485
12285893	Hydrogen_Bond_Acceptor_Count	6
22103887	Defined_Atom_Stereo_Count	0
131699179	Non-hydrogen_Atom_Count	12
84647703	Non-hydrogen_Atom_Count	8
135430996	Defined_Bond_Stereo_Count	0
141082	Total_Formal_Charge	0
88093945	Non-hydrogen_Atom_Count	30
3083542	Molecular_Weight	400.5
9883029	Defined_Bond_Stereo_Count	0
23187765	Defined_Atom_Stereo_Count	0
129851390	Isotope_Atom_Count	0
2418	Isotope_Atom_Count	0
22979	Exact_Mass	487.11279790
3732019	Defined_Bond_Stereo_Count	0
62232603	Total_Formal_Charge	0
283654	Structure_Complexity	496
36342	Total_Formal_Charge	0
8216	Hydrogen_Bond_Acceptor_Count	2
13827562	Mono_Isotopic_Weight	206.167065321
98032	Exact_Mass	238.099379685
6473878	Tautomer_Count	3
57110036	Hydrogen_Bond_Donor_Count	1
9994296	Undefined_Bond_Stereo_Count	0
141093	Non-hydrogen_Atom_Count	6
75059709	Total_Formal_Charge	0
63991	Isotope_Atom_Count	0
11398	Tautomer_Count	1
9306	Total_Formal_Charge	0
23079882	Total_Formal_Charge	0
11507	XLogP3-AA	3.7
69332464	Molecular_Weight	112.13
73662	Hydrogen_Bond_Acceptor_Count	9
105426944	Exact_Mass	101.084063974
13594	Defined_Atom_Stereo_Count	0
589409	Hydrogen_Bond_Acceptor_Count	7
62313624	Mono_Isotopic_Weight	97.089149355
9878679	Defined_Bond_Stereo_Count	0
163199229	Defined_Atom_Stereo_Count	4
139692455	Mono_Isotopic_Weight	73.052763847
7397	Structure_Complexity	209
44321290	Exact_Mass	548.35151204
21054637	Non-hydrogen_Atom_Count	7
18801784	Isotope_Atom_Count	0
24848261	Hydrogen_Bond_Acceptor_Count	4
59290	TPSA	186
140511	Hydrogen_Bond_Acceptor_Count	1
131982921	Hydrogen_Bond_Acceptor_Count	2
4687937	Rotatable_Bond_Count	1
9869142	Structure_Complexity	751
6332	Total_Formal_Charge	0
140047825	Exact_Mass	575.09703019
2724032	Total_Formal_Charge	0
19159	Undefined_Atom_Stereo_Count	1
130122059	Total_Formal_Charge	0
11336492	Mono_Isotopic_Weight	330.0270564
144731084	Hydrogen_Bond_Donor_Count	1
11414	Mono_Isotopic_Weight	233.86798
7233	Covalent_Unit_Count	1
91739	Tautomer_Count	1
23064418	Defined_Atom_Stereo_Count	0
52947109	Mono_Isotopic_Weight	419.14567599
20695916	Rotatable_Bond_Count	1
23675341	Covalent_Unit_Count	2
240534	Defined_Atom_Stereo_Count	0
124201874	Isotope_Atom_Count	0
6434622	Total_Formal_Charge	0
5426	Total_Formal_Charge	0
8559	Defined_Bond_Stereo_Count	0
60529	Exact_Mass	281.1182566
57258462	Total_Formal_Charge	0
163285334	XLogP3-AA	5.1
73481	Defined_Atom_Stereo_Count	2
9933991	Non-hydrogen_Atom_Count	3
25051993	Rotatable_Bond_Count	6
79576984	Rotatable_Bond_Count	4
139088049	Covalent_Unit_Count	6
54742567	Exact_Mass	175.02426294
136340880	Hydrogen_Bond_Donor_Count	1
20559620	Isotope_Atom_Count	0
492901	Non-hydrogen_Atom_Count	26
662877	Defined_Atom_Stereo_Count	0
11473	Undefined_Atom_Stereo_Count	0
56593143	Rotatable_Bond_Count	7
76224067	Isotope_Atom_Count	0
42350	Rotatable_Bond_Count	3
447573	Hydrogen_Bond_Donor_Count	4
93521	Structure_Complexity	326
77232	Molecular_Weight	161.32
115000	Covalent_Unit_Count	2
16051997	Defined_Bond_Stereo_Count	0
71397987	TPSA	38.7
136411312	Exact_Mass	146.048012819
71305057	Molecular_Weight	439.3
603227	Defined_Bond_Stereo_Count	0
522446	Covalent_Unit_Count	1
65394	Undefined_Bond_Stereo_Count	0
10374415	Hydrogen_Bond_Acceptor_Count	1
14970970	Isotope_Atom_Count	0
13620760	Covalent_Unit_Count	1
133082588	Rotatable_Bond_Count	4
519112	Defined_Atom_Stereo_Count	0
10240766	Undefined_Atom_Stereo_Count	0
23675456	Rotatable_Bond_Count	16
502206	Defined_Atom_Stereo_Count	15
6337677	Exact_Mass	330.99455
19549	Undefined_Atom_Stereo_Count	0
129297096	Rotatable_Bond_Count	1
5484	Isotope_Atom_Count	0
2570	Undefined_Bond_Stereo_Count	0
20100130	Exact_Mass	257.05104977
68289	Rotatable_Bond_Count	0
123347340	Covalent_Unit_Count	1
5326159	Undefined_Bond_Stereo_Count	0
19937448	Structure_Complexity	170
16213698	Defined_Atom_Stereo_Count	18
139073990	Total_Formal_Charge	0
2645	Non-hydrogen_Atom_Count	37
634	Undefined_Atom_Stereo_Count	3
151092	Exact_Mass	335.0689374
78968	Non-hydrogen_Atom_Count	6
5460348	Covalent_Unit_Count	1
32230	Hydrogen_Bond_Acceptor_Count	5
13568632	Isotope_Atom_Count	0
23545554	Exact_Mass	112.052429494
5282517	Isotope_Atom_Count	0
474523	Total_Formal_Charge	0
5280633	Undefined_Bond_Stereo_Count	0
33713	Undefined_Atom_Stereo_Count	2
4113	Covalent_Unit_Count	1
6435808	Defined_Bond_Stereo_Count	1
163050677	Exact_Mass	284.16237386
24473	Total_Formal_Charge	0
9549284	Rotatable_Bond_Count	3
529331	Covalent_Unit_Count	1
13165124	Total_Formal_Charge	0
11524	Structure_Complexity	62.8
656980	Structure_Complexity	146
317846	Rotatable_Bond_Count	1
13778	XLogP3-AA	1.4
55288133	Hydrogen_Bond_Donor_Count	1
45248	Molecular_Weight	277.36
1304	Isotope_Atom_Count	0
6917715	Covalent_Unit_Count	1
21303298	Total_Formal_Charge	0
129801083	Molecular_Weight	82.10
54545615	Exact_Mass	98.073164938
21680	Tautomer_Count	1
54511	Defined_Bond_Stereo_Count	0
88580088	Undefined_Atom_Stereo_Count	0
8018	Mono_Isotopic_Weight	75.068413911
61900360	Exact_Mass	113.058911855
68321947	Non-hydrogen_Atom_Count	28
4390	Tautomer_Count	1
54585032	Mono_Isotopic_Weight	211.063328530
123487779	Isotope_Atom_Count	0
69462	Undefined_Atom_Stereo_Count	0
81927	Rotatable_Bond_Count	9
38306	Rotatable_Bond_Count	1
9942127	Rotatable_Bond_Count	0
11513929	Rotatable_Bond_Count	0
8150	Total_Formal_Charge	0
9933197	Hydrogen_Bond_Acceptor_Count	9
60196395	Rotatable_Bond_Count	2
115011064	Non-hydrogen_Atom_Count	8
448965	TPSA	97.3
164912	Defined_Bond_Stereo_Count	0
142551	Tautomer_Count	1
24646	Molecular_Weight	86.90
151092	Covalent_Unit_Count	1
11656518	Hydrogen_Bond_Donor_Count	2
71209	Tautomer_Count	2
6182	Defined_Atom_Stereo_Count	0
55285004	Hydrogen_Bond_Acceptor_Count	2
14741640	Defined_Bond_Stereo_Count	0
159982	Defined_Bond_Stereo_Count	0
18950	Isotope_Atom_Count	0
3032306	Defined_Atom_Stereo_Count	0
4616292	TPSA	89.7
5462350	TPSA	59
82593565	Undefined_Atom_Stereo_Count	0
598777	TPSA	51.8
21484	Molecular_Weight	217.57
22456671	Total_Formal_Charge	0
19800669	Defined_Bond_Stereo_Count	0
133637885	Total_Formal_Charge	0
9533	Total_Formal_Charge	0
17118	Molecular_Weight	251.71
11029	Mono_Isotopic_Weight	83.9697855
10256440	Exact_Mass	530.17770440
6440900	Defined_Bond_Stereo_Count	1
15575641	TPSA	41.6
52343	Molecular_Weight	289.25
48384	Hydrogen_Bond_Donor_Count	1
77946	Total_Formal_Charge	0
501	Undefined_Atom_Stereo_Count	1
84063981	Mono_Isotopic_Weight	111.068413911
11547499	Isotope_Atom_Count	0
18380143	Covalent_Unit_Count	1
15595455	Rotatable_Bond_Count	0
400185	Hydrogen_Bond_Donor_Count	2
31275	Exact_Mass	88.052429494
262282	Hydrogen_Bond_Donor_Count	1
11406590	Exact_Mass	388.13469677
76189844	TPSA	116
23642227	Exact_Mass	580.28969963
153807932	Defined_Bond_Stereo_Count	0
9804496	Total_Formal_Charge	0
124604767	Hydrogen_Bond_Acceptor_Count	16
9831415	Structure_Complexity	425
32068	Hydrogen_Bond_Donor_Count	2
12377442	Undefined_Atom_Stereo_Count	1
3467	Structure_Complexity	636
56846509	Hydrogen_Bond_Donor_Count	0
12285873	Structure_Complexity	151
65905	Exact_Mass	323.19573968
14146220	Isotope_Atom_Count	0
4167	TPSA	28.5
8901	Molecular_Weight	96.13
3032282	Mono_Isotopic_Weight	734.56998054
118360945	Undefined_Bond_Stereo_Count	0
118719297	Hydrogen_Bond_Donor_Count	3
70715	Hydrogen_Bond_Donor_Count	1
9577	Total_Formal_Charge	0
403821	Undefined_Bond_Stereo_Count	0
20782688	Covalent_Unit_Count	1
9949648	Defined_Atom_Stereo_Count	1
72521	Isotope_Atom_Count	0
5288769	Hydrogen_Bond_Acceptor_Count	11
7021156	Covalent_Unit_Count	1
610	TPSA	127
69021	Total_Formal_Charge	0
22096	Exact_Mass	242.04265265
2883813	Undefined_Bond_Stereo_Count	0
22594079	Hydrogen_Bond_Acceptor_Count	3
135140866	Hydrogen_Bond_Acceptor_Count	2
319344	TPSA	42
134735	XLogP3	2.1
442436	Covalent_Unit_Count	1
5748352	Exact_Mass	892.5353131
23694214	Rotatable_Bond_Count	7
46239	Total_Formal_Charge	0
520744	Defined_Atom_Stereo_Count	0
138335	Defined_Bond_Stereo_Count	0
82593536	Covalent_Unit_Count	1
154809629	Defined_Bond_Stereo_Count	0
58335291	Molecular_Weight	98.14
58795738	Covalent_Unit_Count	1
91945062	Isotope_Atom_Count	0
67486	Isotope_Atom_Count	0
3032396	Hydrogen_Bond_Acceptor_Count	12
84081255	Structure_Complexity	90.6
46919879	Defined_Bond_Stereo_Count	0
88235	Exact_Mass	311.0149699
146887978	Isotope_Atom_Count	0
133688938	Defined_Bond_Stereo_Count	2
205954	Non-hydrogen_Atom_Count	37
7017958	Isotope_Atom_Count	0
54350955	Non-hydrogen_Atom_Count	8
2734819	Defined_Atom_Stereo_Count	0
5353593	Undefined_Atom_Stereo_Count	0
409438	Molecular_Weight	166.18
54526114	Total_Formal_Charge	0
67258704	Defined_Atom_Stereo_Count	0
56859	Mono_Isotopic_Weight	320.20999276
675533	Defined_Bond_Stereo_Count	0
135565635	Rotatable_Bond_Count	2
12260467	Exact_Mass	109.089149355
5311243	Hydrogen_Bond_Donor_Count	3
8978	Hydrogen_Bond_Donor_Count	0
21466942	Mono_Isotopic_Weight	103.063328530
102106219	Hydrogen_Bond_Acceptor_Count	4
71382907	Structure_Complexity	131
6364620	Total_Formal_Charge	0
41541	XLogP3	5.9
9600409	Isotope_Atom_Count	0
519200	Hydrogen_Bond_Donor_Count	0
8005	Non-hydrogen_Atom_Count	5
5354626	Molecular_Weight	350.5
56955070	Hydrogen_Bond_Donor_Count	1
159501	Defined_Bond_Stereo_Count	0
35267	Isotope_Atom_Count	0
92222	Undefined_Atom_Stereo_Count	0
5284614	Defined_Atom_Stereo_Count	0
4659392	Structure_Complexity	426
969488	Undefined_Bond_Stereo_Count	0
53119	Isotope_Atom_Count	0
59882246	Mono_Isotopic_Weight	111.068413911
163090691	Hydrogen_Bond_Donor_Count	4
87700	Total_Formal_Charge	0
18641	Tautomer_Count	6
83872174	Rotatable_Bond_Count	1
54793	Exact_Mass	283.157228913
54443523	Hydrogen_Bond_Acceptor_Count	2
70141017	Rotatable_Bond_Count	0
65477	Mono_Isotopic_Weight	219.0581549
9849313	Structure_Complexity	673
65513	Total_Formal_Charge	0
2762863	Molecular_Weight	111.12
44571221	Non-hydrogen_Atom_Count	30
21220	TPSA	137
91315907	Undefined_Atom_Stereo_Count	0
154992	Tautomer_Count	1
34763	Defined_Bond_Stereo_Count	0
18616638	Structure_Complexity	91.5
68613	Covalent_Unit_Count	1
114612	Undefined_Atom_Stereo_Count	0
57516046	Total_Formal_Charge	0
20548464	Undefined_Atom_Stereo_Count	0
57452	Hydrogen_Bond_Donor_Count	1
624041	Undefined_Bond_Stereo_Count	0
129853561	Total_Formal_Charge	0
398593	Hydrogen_Bond_Donor_Count	2
22624610	Covalent_Unit_Count	1
9816506	Exact_Mass	255.11201006
29837	Hydrogen_Bond_Acceptor_Count	2
403924	XLogP3-AA	4.2
99416	Hydrogen_Bond_Donor_Count	2
441073	Hydrogen_Bond_Donor_Count	1
3325225	Hydrogen_Bond_Acceptor_Count	8
202519	XLogP3	5.4
47289	Undefined_Bond_Stereo_Count	0
9835049	Undefined_Bond_Stereo_Count	0
1807	Mono_Isotopic_Weight	210.94802
15109863	Total_Formal_Charge	0
76092	Undefined_Bond_Stereo_Count	0
71612	Mono_Isotopic_Weight	410.1527835
25102	Molecular_Weight	370.4
23116021	Exact_Mass	144.138839198
23947	Undefined_Atom_Stereo_Count	0
2392	Undefined_Bond_Stereo_Count	0
554	Structure_Complexity	148
118701038	Rotatable_Bond_Count	0
67112	Covalent_Unit_Count	1
5484736	Undefined_Bond_Stereo_Count	0
96826	TPSA	17.1
817122	Undefined_Bond_Stereo_Count	0
667450	Exact_Mass	246.125594432
6915835	Tautomer_Count	1
694876	Hydrogen_Bond_Donor_Count	0
85554474	Hydrogen_Bond_Donor_Count	2
132399083	Defined_Bond_Stereo_Count	0
9938	Covalent_Unit_Count	1
221523	Undefined_Atom_Stereo_Count	0
350825	Undefined_Bond_Stereo_Count	0
15284	Exact_Mass	512.24101810
4047281	Defined_Atom_Stereo_Count	0
10221470	Non-hydrogen_Atom_Count	20
442530	Defined_Bond_Stereo_Count	0
13351	Undefined_Bond_Stereo_Count	0
139190714	Undefined_Atom_Stereo_Count	0
21615295	Non-hydrogen_Atom_Count	7
11523	Tautomer_Count	1
10111	Total_Formal_Charge	0
139142290	Molecular_Weight	925.2
141672	Structure_Complexity	55.2
230076	Hydrogen_Bond_Donor_Count	11
79784	Undefined_Bond_Stereo_Count	0
57470525	Exact_Mass	112.088815002
256019	Hydrogen_Bond_Acceptor_Count	4
24870942	Structure_Complexity	1220
9838284	Structure_Complexity	319
91701304	Non-hydrogen_Atom_Count	7
11817188	TPSA	20.2
10622871	Undefined_Bond_Stereo_Count	0
57031137	Rotatable_Bond_Count	0
160212	Molecular_Weight	211.64
67285	Mono_Isotopic_Weight	171.104799419
175	TPSA	40.1
10113978	Hydrogen_Bond_Donor_Count	2
65819	XLogP3-AA	1.3
135487863	Defined_Bond_Stereo_Count	1
447534	Defined_Bond_Stereo_Count	0
65718	Total_Formal_Charge	0
87713	Covalent_Unit_Count	1
57064571	Hydrogen_Bond_Donor_Count	0
5282363	Undefined_Atom_Stereo_Count	0
11949597	XLogP3-AA	1.5
5311412	Non-hydrogen_Atom_Count	27
593	Covalent_Unit_Count	1
84682	Defined_Bond_Stereo_Count	0
24351	Rotatable_Bond_Count	6
688095	Total_Formal_Charge	0
144686955	Structure_Complexity	382
13362	Tautomer_Count	2
13460453	Undefined_Atom_Stereo_Count	2
45116684	Covalent_Unit_Count	1
522325	Defined_Atom_Stereo_Count	0
10953443	Defined_Bond_Stereo_Count	0
22035328	Defined_Bond_Stereo_Count	0
37890	Rotatable_Bond_Count	3
135418283	Defined_Bond_Stereo_Count	1
328257	Exact_Mass	97.052763847
24785538	TPSA	116
83	Molecular_Weight	152.04
5045	Defined_Bond_Stereo_Count	0
82755	Total_Formal_Charge	0
54242173	Defined_Atom_Stereo_Count	0
10613	Structure_Complexity	246
16134627	Hydrogen_Bond_Acceptor_Count	30
5459319	Structure_Complexity	1030
454878	Hydrogen_Bond_Donor_Count	6
44259	XLogP3-AA	3.2
6441079	Undefined_Atom_Stereo_Count	9
102538	Hydrogen_Bond_Donor_Count	0
24824	Hydrogen_Bond_Donor_Count	0
6510	Defined_Atom_Stereo_Count	0
5113487	Defined_Atom_Stereo_Count	0
830140	Structure_Complexity	254
12774755	Hydrogen_Bond_Donor_Count	1
54037464	TPSA	72.3
453307	Molecular_Weight	254.29
2032	Hydrogen_Bond_Donor_Count	2
54469425	XLogP3-AA	0.3
39184	TPSA	91.6
3714	Structure_Complexity	700
25101755	Defined_Atom_Stereo_Count	0
5281951	Exact_Mass	453.94217074
9936	Undefined_Atom_Stereo_Count	0
101316975	Non-hydrogen_Atom_Count	38
70484261	Defined_Atom_Stereo_Count	0
10496498	Hydrogen_Bond_Donor_Count	0
11355437	Molecular_Weight	78.071
22141508	Undefined_Bond_Stereo_Count	0
135413504	Total_Formal_Charge	0
64666310	Non-hydrogen_Atom_Count	8
86076207	Rotatable_Bond_Count	3
3772	Defined_Bond_Stereo_Count	0
142901	Hydrogen_Bond_Donor_Count	0
135422052	TPSA	200
88483174	Defined_Bond_Stereo_Count	0
5280896	TPSA	74.6
67811115	Hydrogen_Bond_Acceptor_Count	2
23465004	Defined_Atom_Stereo_Count	0
101333850	Defined_Atom_Stereo_Count	2
71457270	Non-hydrogen_Atom_Count	39
3038495	Exact_Mass	417.24162724
9794218	Total_Formal_Charge	0
12931852	Molecular_Weight	82.10
862	Hydrogen_Bond_Acceptor_Count	23
66882078	Hydrogen_Bond_Donor_Count	1
22749	Exact_Mass	116.120115130
11440685	Mono_Isotopic_Weight	390.16785316
67979331	Defined_Atom_Stereo_Count	0
46930997	Defined_Bond_Stereo_Count	2
2192	Isotope_Atom_Count	0
704328	Exact_Mass	340.16093457
9964081	Molecular_Weight	116.11
69251960	Molecular_Weight	112.09
5282280	Hydrogen_Bond_Donor_Count	2
11105318	Undefined_Bond_Stereo_Count	0
21617691	Undefined_Atom_Stereo_Count	2
815404	Isotope_Atom_Count	0
9299	Isotope_Atom_Count	0
71248	Defined_Bond_Stereo_Count	0
69429	TPSA	59.8
66965363	Undefined_Atom_Stereo_Count	0
3644	Rotatable_Bond_Count	3
2447	TPSA	72.2
2396	Exact_Mass	412.18992602
3057	Undefined_Atom_Stereo_Count	9
70276605	Hydrogen_Bond_Acceptor_Count	6
7756	Molecular_Weight	115.17
12082850	Hydrogen_Bond_Donor_Count	5
87692081	Isotope_Atom_Count	0
154257	Total_Formal_Charge	0
93012	Rotatable_Bond_Count	5
517072	TPSA	49.4
2063927	Covalent_Unit_Count	1
135611162	Isotope_Atom_Count	0
5011	Isotope_Atom_Count	0
220	Molecular_Weight	261.28
107950	Mono_Isotopic_Weight	278.07793079
23681107	Rotatable_Bond_Count	5
353481	TPSA	245
5354264	Total_Formal_Charge	0
102426	Exact_Mass	297.1495567
439168	Tautomer_Count	4
6427080	Undefined_Atom_Stereo_Count	0
135408763	Rotatable_Bond_Count	0
6375	Hydrogen_Bond_Donor_Count	0
322148	Rotatable_Bond_Count	1
248271	Defined_Bond_Stereo_Count	0
25110841	Covalent_Unit_Count	1
135473834	Molecular_Weight	457.4
92386	Undefined_Atom_Stereo_Count	0
90235	TPSA	70.3
65790	Rotatable_Bond_Count	4
7048611	Isotope_Atom_Count	0
98070685	Total_Formal_Charge	1
124009720	Hydrogen_Bond_Acceptor_Count	2
638011	Covalent_Unit_Count	1
2220	Defined_Bond_Stereo_Count	0
12545025	Total_Formal_Charge	0
3745420	Undefined_Atom_Stereo_Count	0
13520	Isotope_Atom_Count	0
71587865	Molecular_Weight	380.9
10176670	Rotatable_Bond_Count	1
23170707	Rotatable_Bond_Count	1
16202184	Undefined_Atom_Stereo_Count	0
139254656	Hydrogen_Bond_Acceptor_Count	4
129681963	Rotatable_Bond_Count	4
14852454	Covalent_Unit_Count	1
71107	Defined_Bond_Stereo_Count	0
89422816	Hydrogen_Bond_Donor_Count	1
2987927	Non-hydrogen_Atom_Count	20
9548810	Structure_Complexity	140
16073670	Defined_Bond_Stereo_Count	0
12777	Non-hydrogen_Atom_Count	10
20055294	Covalent_Unit_Count	1
14968895	Rotatable_Bond_Count	3
3237289	Hydrogen_Bond_Donor_Count	0
13715986	Molecular_Weight	118.13
5282443	Total_Formal_Charge	0
411817	XLogP3	3.7
26442	TPSA	38.3
12382883	TPSA	70.4
67422305	TPSA	12
8296	Defined_Bond_Stereo_Count	0
66071945	Hydrogen_Bond_Acceptor_Count	2
688107	Rotatable_Bond_Count	2
18195	Defined_Atom_Stereo_Count	0
620984	Structure_Complexity	252
682529	Defined_Atom_Stereo_Count	0
34474	Isotope_Atom_Count	0
837924	Hydrogen_Bond_Acceptor_Count	3
98723	Undefined_Bond_Stereo_Count	0
23581946	Isotope_Atom_Count	0
72870	Exact_Mass	187.9795702
53628842	Covalent_Unit_Count	3
2578	Undefined_Bond_Stereo_Count	0
21951770	Exact_Mass	111.05449518
23897	Mono_Isotopic_Weight	276.183778013
12582	Isotope_Atom_Count	0
7004	Isotope_Atom_Count	0
55276371	Hydrogen_Bond_Donor_Count	0
694466	TPSA	111
136716	Total_Formal_Charge	0
163285897	Defined_Atom_Stereo_Count	39
3187	Mono_Isotopic_Weight	359.21686904
130169	Tautomer_Count	1
12508473	Rotatable_Bond_Count	1
35758	Total_Formal_Charge	0
123626159	Mono_Isotopic_Weight	100.100048391
44358318	XLogP3-AA	4.4
134694738	Hydrogen_Bond_Acceptor_Count	12
11553183	Total_Formal_Charge	0
59771	Undefined_Bond_Stereo_Count	0
1342	Molecular_Weight	212.29
12052005	Exact_Mass	303.14705815
73285	Structure_Complexity	409
45356876	Hydrogen_Bond_Donor_Count	1
26696	Covalent_Unit_Count	1
12201383	Molecular_Weight	107.11
638071	Molecular_Weight	82.14
96160	Defined_Bond_Stereo_Count	0
6405	Molecular_Weight	88.15
44134632	Tautomer_Count	1
31283	Non-hydrogen_Atom_Count	18
20653	Rotatable_Bond_Count	4
22625312	Rotatable_Bond_Count	0
3961	Defined_Atom_Stereo_Count	0
160230029	Non-hydrogen_Atom_Count	8
11581936	Total_Formal_Charge	0
21546968	Total_Formal_Charge	0
69602	Non-hydrogen_Atom_Count	11
40467849	Rotatable_Bond_Count	1
82418990	Mono_Isotopic_Weight	111.043261792
101534	TPSA	75.3
71215	Exact_Mass	475.909940
245729	Hydrogen_Bond_Donor_Count	2
91465	Rotatable_Bond_Count	5
54695720	TPSA	214
133612499	Undefined_Bond_Stereo_Count	0
21354354	Non-hydrogen_Atom_Count	8
233208	Isotope_Atom_Count	0
22166430	Covalent_Unit_Count	1
25142043	Isotope_Atom_Count	0
59295974	Mono_Isotopic_Weight	581.1154122
196129	Undefined_Bond_Stereo_Count	0
5366074	Undefined_Bond_Stereo_Count	0
150841	Rotatable_Bond_Count	2
67259738	Molecular_Weight	110.07
36357	Exact_Mass	352.21105539
5064267	Covalent_Unit_Count	1
8084	Structure_Complexity	51.9
5327067	Total_Formal_Charge	0
7055	TPSA	0
9604	Exact_Mass	129.9985560
22225900	Defined_Atom_Stereo_Count	0
27284	Structure_Complexity	0
44309990	Undefined_Atom_Stereo_Count	0
637760	Isotope_Atom_Count	0
54580844	Undefined_Bond_Stereo_Count	0
146474256	Undefined_Atom_Stereo_Count	2
48289	Tautomer_Count	1
21934982	Mono_Isotopic_Weight	141.115364102
94495	Undefined_Bond_Stereo_Count	0
75516	Total_Formal_Charge	0
90495	Molecular_Weight	218.25
16238	Rotatable_Bond_Count	1
10992	Rotatable_Bond_Count	4
45259043	Mono_Isotopic_Weight	544.36584195
129195194	Rotatable_Bond_Count	1
2734163	Non-hydrogen_Atom_Count	13
135391139	Molecular_Weight	785.9
9887867	Hydrogen_Bond_Acceptor_Count	2
84393	Defined_Bond_Stereo_Count	0
8207	TPSA	20.2
83444	Molecular_Weight	242.39
88928	Defined_Bond_Stereo_Count	0
101603711	Rotatable_Bond_Count	10
590836	Hydrogen_Bond_Donor_Count	0
4051541	Rotatable_Bond_Count	0
138304	Hydrogen_Bond_Acceptor_Count	0
8467	Mono_Isotopic_Weight	166.062994177
142739236	Hydrogen_Bond_Donor_Count	1
170297	Structure_Complexity	48.9
9838356	Structure_Complexity	363
7131616	TPSA	41.1
122361528	XLogP3-AA	4
11948807	Undefined_Atom_Stereo_Count	0
126968472	Rotatable_Bond_Count	2
58952	XLogP3-AA	2.9
28830	Covalent_Unit_Count	2
84787	TPSA	52.6
8288	Non-hydrogen_Atom_Count	38
76285	Non-hydrogen_Atom_Count	16
87485	Tautomer_Count	1
80349	Rotatable_Bond_Count	2
439750	Total_Formal_Charge	0
14214	Undefined_Atom_Stereo_Count	0
71448903	Hydrogen_Bond_Donor_Count	9
16492	Tautomer_Count	1
2735071	Rotatable_Bond_Count	12
53710320	XLogP3-AA	0.7
56675695	Structure_Complexity	556
118701038	Exact_Mass	363.872766
62662	Rotatable_Bond_Count	0
6433091	Undefined_Atom_Stereo_Count	2
97383	Covalent_Unit_Count	1
23283001	Total_Formal_Charge	0
10024	Exact_Mass	104.083729621
23684896	Total_Formal_Charge	0
13490845	Exact_Mass	447.27734404
60803	XLogP3-AA	3.6
455041	Structure_Complexity	331
185588	Undefined_Atom_Stereo_Count	0
101813505	Defined_Atom_Stereo_Count	0
73356082	Covalent_Unit_Count	1
129629634	Rotatable_Bond_Count	0
77160509	Exact_Mass	85.089149355
410914	Exact_Mass	400.17466988
123875320	Non-hydrogen_Atom_Count	8
61534	Exact_Mass	91.940821
13896532	Isotope_Atom_Count	0
629365	Mono_Isotopic_Weight	319.9941749
165611944	Structure_Complexity	111
5859	Structure_Complexity	418
44119608	Undefined_Atom_Stereo_Count	0
2383	Non-hydrogen_Atom_Count	9
84265	Structure_Complexity	235
17321	Total_Formal_Charge	0
65926	Molecular_Weight	204.27
135475930	Structure_Complexity	728
91590	Exact_Mass	253.13611680
7059571	Molecular_Weight	328.20
164330	Mono_Isotopic_Weight	1397.576390
17407	Undefined_Atom_Stereo_Count	0
154101	Undefined_Bond_Stereo_Count	0
92043424	Undefined_Atom_Stereo_Count	21
2771871	Molecular_Weight	168.96
867	Structure_Complexity	83.1
5369129	Undefined_Bond_Stereo_Count	0
46839993	Covalent_Unit_Count	1
74904	Hydrogen_Bond_Acceptor_Count	2
67513158	Undefined_Atom_Stereo_Count	0
29138	Structure_Complexity	409
3283968	Structure_Complexity	74.1
68157	Structure_Complexity	50.9
28429	Structure_Complexity	98.3
88524529	Undefined_Bond_Stereo_Count	0
10103132	Undefined_Bond_Stereo_Count	0
70943	TPSA	25.8
24680	TPSA	17.1
657085	Covalent_Unit_Count	1
4140	Covalent_Unit_Count	1
71583494	Mono_Isotopic_Weight	413.18517499
75332	Defined_Atom_Stereo_Count	0
443366	Undefined_Atom_Stereo_Count	1
13601826	Defined_Bond_Stereo_Count	0
12449	Exact_Mass	482.22392874
98047377	Undefined_Atom_Stereo_Count	0
20111961	TPSA	38.8
53754520	Exact_Mass	180.089877630
102959	Molecular_Weight	182.17
67938	Rotatable_Bond_Count	0
38989055	Isotope_Atom_Count	0
16689337	Undefined_Bond_Stereo_Count	0
29352	Covalent_Unit_Count	1
13437377	Hydrogen_Bond_Donor_Count	1
18373078	Exact_Mass	97.016378338
520301	Rotatable_Bond_Count	1
5150303	Isotope_Atom_Count	0
10297043	Defined_Atom_Stereo_Count	1
3137736	Rotatable_Bond_Count	3
9554198	Non-hydrogen_Atom_Count	21
93841	Molecular_Weight	258.31
93032	Undefined_Bond_Stereo_Count	0
36688137	Non-hydrogen_Atom_Count	25
35754	Molecular_Weight	281.31
101567485	Non-hydrogen_Atom_Count	27
254081	Defined_Bond_Stereo_Count	0
258	Non-hydrogen_Atom_Count	30
91555	TPSA	52
5668	Covalent_Unit_Count	1
135391136	Rotatable_Bond_Count	13
20141332	Hydrogen_Bond_Donor_Count	1
144189552	Molecular_Weight	113.11
6608	Rotatable_Bond_Count	2
158797	Defined_Bond_Stereo_Count	0
97171	Undefined_Bond_Stereo_Count	0
943	Tautomer_Count	1
3084447	Structure_Complexity	249
79083	TPSA	40.5
5053	Rotatable_Bond_Count	7
141300213	Covalent_Unit_Count	1
24096961	Total_Formal_Charge	0
10148984	Defined_Atom_Stereo_Count	0
12149454	Molecular_Weight	310.37
53840809	Undefined_Bond_Stereo_Count	0
8407	Total_Formal_Charge	0
6922	Hydrogen_Bond_Donor_Count	1
8737	Exact_Mass	183.0298355
164179927	TPSA	95.7
70813	Isotope_Atom_Count	0
23675258	Molecular_Weight	205.17
219019	TPSA	52.6
7098664	Undefined_Bond_Stereo_Count	0
71893	Mono_Isotopic_Weight	139.063328530
147895	Exact_Mass	849.35717005
13275542	Structure_Complexity	137
3034319	TPSA	47.4
9803119	Structure_Complexity	652
129864959	Undefined_Atom_Stereo_Count	1
11684684	Hydrogen_Bond_Donor_Count	3
6433091	TPSA	23.5
21655019	Structure_Complexity	48.1
51918	Mono_Isotopic_Weight	181.05613515
20097886	Hydrogen_Bond_Donor_Count	0
45480603	Undefined_Bond_Stereo_Count	0
96821	Total_Formal_Charge	0
159027	XLogP3-AA	0.6
446915	Defined_Atom_Stereo_Count	0
5281250	Hydrogen_Bond_Donor_Count	0
8204	Covalent_Unit_Count	1
7472	Covalent_Unit_Count	1
38455	Total_Formal_Charge	0
24978553	Isotope_Atom_Count	0
17820196	Undefined_Atom_Stereo_Count	1
143886	Non-hydrogen_Atom_Count	8
186114	Tautomer_Count	2
14781907	Molecular_Weight	101.15
12607503	Undefined_Bond_Stereo_Count	0
25133630	Defined_Atom_Stereo_Count	0
13838145	Defined_Atom_Stereo_Count	0
35841	Undefined_Atom_Stereo_Count	0
189856	Undefined_Bond_Stereo_Count	0
21718278	Mono_Isotopic_Weight	111.079647300
13492441	Mono_Isotopic_Weight	109.063997236
44468216	Tautomer_Count	3
1164	Mono_Isotopic_Weight	566.05502130
89453139	Molecular_Weight	110.11
10103877	Non-hydrogen_Atom_Count	14
136005230	TPSA	54.7
11024312	Defined_Atom_Stereo_Count	8
23729878	TPSA	72.6
714937	XLogP3-AA	3.8
11467403	Structure_Complexity	683
20652538	Exact_Mass	78.0469501914
4414	Hydrogen_Bond_Acceptor_Count	6
53956290	TPSA	117
14512532	Undefined_Bond_Stereo_Count	0
5486172	XLogP3-AA	0
10657292	XLogP3	0.2
53885557	Mono_Isotopic_Weight	115.063328530
2423	Undefined_Atom_Stereo_Count	2
91172822	Undefined_Bond_Stereo_Count	2
89374436	Mono_Isotopic_Weight	110.036779430
59446219	Non-hydrogen_Atom_Count	47
69732358	Hydrogen_Bond_Donor_Count	1
91465	Non-hydrogen_Atom_Count	28
676399	Mono_Isotopic_Weight	284.11609238
162681	Hydrogen_Bond_Acceptor_Count	5
6948	Isotope_Atom_Count	0
4532218	Rotatable_Bond_Count	0
780	Undefined_Atom_Stereo_Count	0
2733257	Molecular_Weight	139.58
6918335	Rotatable_Bond_Count	11
8395	Exact_Mass	324.09977361
16732168	Structure_Complexity	774
392622	Molecular_Weight	720.9
19266	Structure_Complexity	207
564527	Hydrogen_Bond_Donor_Count	0
39976	XLogP3-AA	4.6
66687596	TPSA	43.4
86851	Non-hydrogen_Atom_Count	11
3249988	Covalent_Unit_Count	1
67374618	Defined_Bond_Stereo_Count	0
6278	XLogP3-AA	2.4
134738658	Non-hydrogen_Atom_Count	29
26369	Rotatable_Bond_Count	2
76967371	TPSA	58.2
5288453	Total_Formal_Charge	0
4561	Covalent_Unit_Count	1
442793	Structure_Complexity	293
57391320	Non-hydrogen_Atom_Count	32
29353	Total_Formal_Charge	0
54688686	Undefined_Bond_Stereo_Count	0
445713	Undefined_Bond_Stereo_Count	0
9853710	Structure_Complexity	1420
5368010	Hydrogen_Bond_Acceptor_Count	2
86790	Non-hydrogen_Atom_Count	7
3034255	Molecular_Weight	184.18
141352213	Hydrogen_Bond_Donor_Count	0
557737	Undefined_Atom_Stereo_Count	1
3328	Non-hydrogen_Atom_Count	20
64781	Hydrogen_Bond_Acceptor_Count	7
179342	Hydrogen_Bond_Donor_Count	0
401	Rotatable_Bond_Count	0
21117498	Structure_Complexity	83.7
5648	Rotatable_Bond_Count	10
27919	Molecular_Weight	177.20
17396	Undefined_Bond_Stereo_Count	0
570603	Molecular_Weight	106.13
2123	Non-hydrogen_Atom_Count	15
23164725	Total_Formal_Charge	0
91471800	TPSA	56.2
53477794	Defined_Bond_Stereo_Count	1
21407	TPSA	29.1
138404353	Undefined_Atom_Stereo_Count	0
12974	Hydrogen_Bond_Donor_Count	0
12707110	Rotatable_Bond_Count	0
69270	Non-hydrogen_Atom_Count	10
136790	TPSA	0
5289531	Molecular_Weight	612.8
664419	Undefined_Atom_Stereo_Count	0
21443942	Structure_Complexity	68.3
4518	Hydrogen_Bond_Donor_Count	2
57501504	Hydrogen_Bond_Acceptor_Count	14
70763	Defined_Bond_Stereo_Count	0
98055	XLogP3-AA	4
129676242	Defined_Atom_Stereo_Count	0
23555879	TPSA	21.6
4741	TPSA	696
5484727	Covalent_Unit_Count	1
656837	Defined_Bond_Stereo_Count	0
79324217	Exact_Mass	99.104799419
102063093	Defined_Bond_Stereo_Count	0
177323	Rotatable_Bond_Count	6
164912	Total_Formal_Charge	1
137685	Molecular_Weight	112.17
79946	TPSA	221
22352755	Isotope_Atom_Count	0
9934033	TPSA	70.2
59471599	XLogP3-AA	0
17279	Total_Formal_Charge	0
16329	Undefined_Bond_Stereo_Count	0
73759663	TPSA	93.1
91010248	Total_Formal_Charge	0
9956222	Molecular_Weight	467.5
67214	Undefined_Bond_Stereo_Count	0
97414	TPSA	103
12477	Isotope_Atom_Count	0
95978	Undefined_Atom_Stereo_Count	0
45794	TPSA	20.2
73695606	Hydrogen_Bond_Donor_Count	2
19211	Exact_Mass	164.083729621
568445	Defined_Atom_Stereo_Count	0
6328682	Structure_Complexity	313
59966648	Hydrogen_Bond_Donor_Count	3
80230	Rotatable_Bond_Count	0
11957587	TPSA	170
11634725	Molecular_Weight	500.3
6327114	Molecular_Weight	109.04
15294	Mono_Isotopic_Weight	164.047344113
46226173	Undefined_Bond_Stereo_Count	0
103687	Tautomer_Count	1
2782524	Undefined_Atom_Stereo_Count	0
64033	Molecular_Weight	260.29
34515	Tautomer_Count	2
410099	Defined_Atom_Stereo_Count	0
118665446	Mono_Isotopic_Weight	112.052429494
1283	Isotope_Atom_Count	0
141225356	Covalent_Unit_Count	1
9785	Hydrogen_Bond_Acceptor_Count	4
71457010	Hydrogen_Bond_Acceptor_Count	5
87659838	Defined_Atom_Stereo_Count	0
8027	Rotatable_Bond_Count	0
1533	Hydrogen_Bond_Acceptor_Count	2
139079484	Non-hydrogen_Atom_Count	40
6419928	Rotatable_Bond_Count	4
131675085	Defined_Bond_Stereo_Count	0
82273	Total_Formal_Charge	0
6539027	Molecular_Weight	437.5
72851	Hydrogen_Bond_Acceptor_Count	1
44342925	TPSA	23.5
444360	Covalent_Unit_Count	1
76997051	Molecular_Weight	99.17
125556	Tautomer_Count	4
3158	Rotatable_Bond_Count	3
439551	XLogP3	0.2
20139920	TPSA	32.3
20105	Mono_Isotopic_Weight	255.15176686
31229	Undefined_Atom_Stereo_Count	0
145784171	Structure_Complexity	415
9828911	Structure_Complexity	904
17016	Non-hydrogen_Atom_Count	10
23010	Hydrogen_Bond_Acceptor_Count	2
543885	Covalent_Unit_Count	1
123167244	TPSA	18.5
462919	Defined_Atom_Stereo_Count	0
12997	Total_Formal_Charge	0
23725082	Mono_Isotopic_Weight	723.123265
22227703	Tautomer_Count	3
16224058	Undefined_Atom_Stereo_Count	0
91986	Hydrogen_Bond_Donor_Count	0
56991328	Defined_Bond_Stereo_Count	0
58985	Isotope_Atom_Count	0
74404	Defined_Bond_Stereo_Count	0
534204	Structure_Complexity	112
5280883	Defined_Atom_Stereo_Count	5
129752646	Molecular_Weight	395.4
61007	Molecular_Weight	178.23
25099474	Exact_Mass	361.13388831
7601	Hydrogen_Bond_Acceptor_Count	2
65263	Undefined_Bond_Stereo_Count	0
98882	Undefined_Atom_Stereo_Count	0
49864532	Mono_Isotopic_Weight	343.1199879
4917	Rotatable_Bond_Count	4
21327	Tautomer_Count	1
10129	Undefined_Atom_Stereo_Count	3
140979598	Hydrogen_Bond_Donor_Count	0
650625	Molecular_Weight	268.24
56851705	Rotatable_Bond_Count	3
10057477	Rotatable_Bond_Count	0
8151	XLogP3-AA	0.3
16069302	Mono_Isotopic_Weight	439.20082506
13863632	Hydrogen_Bond_Acceptor_Count	1
19927	Hydrogen_Bond_Acceptor_Count	1
134767951	Hydrogen_Bond_Donor_Count	1
11417	Mono_Isotopic_Weight	107.073499291
74266	Hydrogen_Bond_Acceptor_Count	6
1745	Defined_Bond_Stereo_Count	0
16129665	Undefined_Bond_Stereo_Count	0
2690	Undefined_Atom_Stereo_Count	0
123608	Hydrogen_Bond_Acceptor_Count	4
11234794	Hydrogen_Bond_Donor_Count	4
9446	Defined_Bond_Stereo_Count	0
11408688	Structure_Complexity	559
119391	Isotope_Atom_Count	0
34697	Non-hydrogen_Atom_Count	27
79173	Undefined_Atom_Stereo_Count	0
53403752	Isotope_Atom_Count	0
2853	Rotatable_Bond_Count	8
70390	Exact_Mass	226.110613074
11017510	Covalent_Unit_Count	1
18681973	TPSA	61.4
24883735	Defined_Bond_Stereo_Count	0
78739	Isotope_Atom_Count	0
94617	Isotope_Atom_Count	0
17928	Mono_Isotopic_Weight	243.08954328
80040	Covalent_Unit_Count	1
6757	Undefined_Atom_Stereo_Count	0
9707	Mono_Isotopic_Weight	112.032442941
547686	Undefined_Bond_Stereo_Count	0
10887835	Hydrogen_Bond_Acceptor_Count	1
141627366	Defined_Atom_Stereo_Count	0
4302960	Hydrogen_Bond_Acceptor_Count	5
9855476	Hydrogen_Bond_Acceptor_Count	3
70414	Total_Formal_Charge	0
95455	Covalent_Unit_Count	1
70339927	Hydrogen_Bond_Acceptor_Count	2
122004	Covalent_Unit_Count	1
17887248	Mono_Isotopic_Weight	85.027611728
442474	Tautomer_Count	1
9106	Total_Formal_Charge	0
12985	Total_Formal_Charge	0
70700	Undefined_Atom_Stereo_Count	0
85856	XLogP3-AA	9.6
10478	Mono_Isotopic_Weight	152.90755
44097	Covalent_Unit_Count	1
58979809	Hydrogen_Bond_Acceptor_Count	2
32439	Isotope_Atom_Count	0
11908451	TPSA	190
223866	Exact_Mass	408.20490738
23064530	Hydrogen_Bond_Donor_Count	1
72862	Non-hydrogen_Atom_Count	13
3038512	Mono_Isotopic_Weight	380.19607403
440064	Covalent_Unit_Count	1
53237112	Molecular_Weight	404.5
133025	Molecular_Weight	228.20
249	Total_Formal_Charge	1
2741	Defined_Bond_Stereo_Count	0
21972128	Undefined_Bond_Stereo_Count	0
12550422	Non-hydrogen_Atom_Count	8
3718	Non-hydrogen_Atom_Count	21
44190553	Molecular_Weight	280.37
68858	Mono_Isotopic_Weight	277.146664230
84029	TPSA	183
44309990	Structure_Complexity	431
543880	Molecular_Weight	100.16
6418719	Hydrogen_Bond_Donor_Count	1
56663315	XLogP3-AA	3.7
96389	Exact_Mass	145.052763847
5663	Covalent_Unit_Count	1
5281607	Rotatable_Bond_Count	1
521169	Tautomer_Count	1
26139	Defined_Atom_Stereo_Count	0
91667752	Hydrogen_Bond_Donor_Count	3
123392765	Total_Formal_Charge	0
57586998	TPSA	48.9
8013	Defined_Atom_Stereo_Count	0
88578918	Defined_Atom_Stereo_Count	0
9988947	Defined_Atom_Stereo_Count	10
25058126	Hydrogen_Bond_Donor_Count	5
25015107	Structure_Complexity	635
14815788	Total_Formal_Charge	0
6014	Non-hydrogen_Atom_Count	21
69676	Structure_Complexity	77
3045335	Defined_Bond_Stereo_Count	0
12508	Covalent_Unit_Count	1
59059061	XLogP3-AA	0
85776583	Defined_Atom_Stereo_Count	0
23519621	Tautomer_Count	1
45358158	Non-hydrogen_Atom_Count	60
8116	Tautomer_Count	1
5369209	TPSA	63.6
57396865	XLogP3-AA	3.5
88063521	XLogP3-AA	0.6
53477580	Total_Formal_Charge	0
1241420	Mono_Isotopic_Weight	173.10519334
208	Mono_Isotopic_Weight	260.02971899
2760056	Tautomer_Count	4
11970261	Defined_Bond_Stereo_Count	3
17959664	TPSA	53.8
114840	Defined_Bond_Stereo_Count	0
413019	Structure_Complexity	385
121444434	Defined_Atom_Stereo_Count	0
16722116	Covalent_Unit_Count	2
122172945	Defined_Atom_Stereo_Count	11
445226	Hydrogen_Bond_Acceptor_Count	6
447297	Exact_Mass	327.10414797
134694052	Hydrogen_Bond_Donor_Count	2
11715169	Structure_Complexity	139
143061	Defined_Atom_Stereo_Count	0
6918331	Covalent_Unit_Count	1
3372016	Exact_Mass	524.11228755
8388	Mono_Isotopic_Weight	263.92834
656980	Hydrogen_Bond_Acceptor_Count	2
6659	Isotope_Atom_Count	0
518733	Molecular_Weight	101.19
76771	Mono_Isotopic_Weight	217.97208420
12648201	TPSA	40.5
146487258	Exact_Mass	116.083729621
56928061	Mono_Isotopic_Weight	527.23263824
5351447	Rotatable_Bond_Count	5
11788284	Hydrogen_Bond_Acceptor_Count	1
12262514	Hydrogen_Bond_Donor_Count	1
29878	Total_Formal_Charge	0
11970252	Mono_Isotopic_Weight	342.11621151
5167	Hydrogen_Bond_Acceptor_Count	5
86439	Hydrogen_Bond_Donor_Count	0
137268	Exact_Mass	103.042199164
42509	Molecular_Weight	329.9
2828	Structure_Complexity	509
2358	Exact_Mass	211.04807239
536086	Rotatable_Bond_Count	1
10084648	XLogP3-AA	3.5
74413	Total_Formal_Charge	0
6327514	TPSA	35.5
56842207	Defined_Bond_Stereo_Count	0
135423770	Undefined_Bond_Stereo_Count	0
95354	Defined_Bond_Stereo_Count	0
639391	Defined_Bond_Stereo_Count	2
21492261	Total_Formal_Charge	0
12355883	Hydrogen_Bond_Acceptor_Count	8
2103	Undefined_Bond_Stereo_Count	0
344693	Undefined_Atom_Stereo_Count	1
138403272	Rotatable_Bond_Count	3
6956357	Non-hydrogen_Atom_Count	26
59939847	Undefined_Bond_Stereo_Count	0
2332	Rotatable_Bond_Count	1
580481	Isotope_Atom_Count	0
57401681	TPSA	119
1204288	Undefined_Atom_Stereo_Count	0
140905	Defined_Atom_Stereo_Count	0
193972	Defined_Bond_Stereo_Count	0
101010	Defined_Atom_Stereo_Count	0
159871	Exact_Mass	314.0491912
9819043	Undefined_Bond_Stereo_Count	0
516356	Total_Formal_Charge	0
9339	Defined_Bond_Stereo_Count	0
77405	Structure_Complexity	327
90410375	Undefined_Atom_Stereo_Count	0
54265485	Hydrogen_Bond_Donor_Count	2
60195903	Hydrogen_Bond_Acceptor_Count	4
13664	TPSA	15.8
76459	XLogP3	4.2
5378015	Rotatable_Bond_Count	2
441130	Mono_Isotopic_Weight	383.15149208
71645	TPSA	46.5
14282994	TPSA	32.8
93234	Hydrogen_Bond_Acceptor_Count	4
65417277	Molecular_Weight	114.11
25154200	Defined_Bond_Stereo_Count	0
32131	TPSA	124
107871	Mono_Isotopic_Weight	181.9537494
16134956	Exact_Mass	3749.9498161
81762	Hydrogen_Bond_Acceptor_Count	4
92131818	Hydrogen_Bond_Donor_Count	1
101755686	Molecular_Weight	978.7
7058	Undefined_Atom_Stereo_Count	0
51886	Molecular_Weight	209.20
5351560	XLogP3-AA	2.3
14758064	Defined_Bond_Stereo_Count	0
134436906	XLogP3-AA	2.5
439196	Exact_Mass	154.01222190
92363	XLogP3	1.5
135546482	Covalent_Unit_Count	1
6540262	Molecular_Weight	98.15
73200935	Isotope_Atom_Count	0
5494449	Mono_Isotopic_Weight	464.21067872
54265	Covalent_Unit_Count	1
437719	Isotope_Atom_Count	0
4359	Undefined_Bond_Stereo_Count	0
779179	Hydrogen_Bond_Acceptor_Count	5
516871	Hydrogen_Bond_Acceptor_Count	2
53318409	Undefined_Atom_Stereo_Count	0
29510	Non-hydrogen_Atom_Count	11
4694097	Undefined_Bond_Stereo_Count	0
14257	Covalent_Unit_Count	1
19186	Hydrogen_Bond_Donor_Count	1
3058753	Undefined_Atom_Stereo_Count	0
94972	Total_Formal_Charge	0
12708177	Covalent_Unit_Count	1
69938	Hydrogen_Bond_Donor_Count	0
20681301	Non-hydrogen_Atom_Count	8
6604189	TPSA	59.1
56675694	Non-hydrogen_Atom_Count	28
19428628	Total_Formal_Charge	0
12604	Undefined_Atom_Stereo_Count	0
9255	Exact_Mass	69.021463719
18156	Exact_Mass	268.04840674
1257	Rotatable_Bond_Count	2
7753	Hydrogen_Bond_Acceptor_Count	1
165339	Tautomer_Count	1
439177	Defined_Bond_Stereo_Count	0
154342062	Structure_Complexity	121
44590515	Isotope_Atom_Count	0
14283774	Isotope_Atom_Count	0
13327302	Covalent_Unit_Count	1
9547928	TPSA	226
4346	Rotatable_Bond_Count	10
16219	Molecular_Weight	283.5
643732	Structure_Complexity	494
21428	Defined_Bond_Stereo_Count	0
6931101	Mono_Isotopic_Weight	180.02968267
5367415	Isotope_Atom_Count	0
5460348	TPSA	60.4
6855	Isotope_Atom_Count	0
21061878	Non-hydrogen_Atom_Count	8
16224	XLogP3	4.2
129803162	Total_Formal_Charge	0
121596705	TPSA	92.8
6945	Hydrogen_Bond_Donor_Count	0
66624275	Undefined_Atom_Stereo_Count	0
19962939	TPSA	24.4
55284853	Structure_Complexity	88.2
38876	Hydrogen_Bond_Acceptor_Count	0
446715	Undefined_Atom_Stereo_Count	0
5121	Defined_Atom_Stereo_Count	0
76973265	Undefined_Bond_Stereo_Count	0
44430374	Structure_Complexity	424
274074	TPSA	15.6
11753673	Exact_Mass	597.33150487
14298876	Covalent_Unit_Count	1
56846351	Rotatable_Bond_Count	4
25199890	Total_Formal_Charge	0
2051	Molecular_Weight	315.75
4843	Non-hydrogen_Atom_Count	10
5189	TPSA	112
40539	Non-hydrogen_Atom_Count	13
6055	Rotatable_Bond_Count	4
25171607	TPSA	86
124518033	Mono_Isotopic_Weight	93.032697108
17834171	Hydrogen_Bond_Acceptor_Count	2
23418	Mono_Isotopic_Weight	274.14297583
141140026	Defined_Bond_Stereo_Count	0
46202743	XLogP3-AA	3.3
139059144	Isotope_Atom_Count	0
65909	Hydrogen_Bond_Donor_Count	1
3086514	Structure_Complexity	379
642765	Total_Formal_Charge	0
163276251	Hydrogen_Bond_Donor_Count	0
5301	XLogP3-AA	0.5
14344952	Undefined_Bond_Stereo_Count	0
67938294	XLogP3-AA	0.3
608	Exact_Mass	178.04773803
158371	Structure_Complexity	1860
7707	XLogP3	1.3
5281162	Total_Formal_Charge	0
35331	Rotatable_Bond_Count	0
12527495	Undefined_Bond_Stereo_Count	0
24401	Covalent_Unit_Count	1
3714053	TPSA	54.8
24957182	Mono_Isotopic_Weight	603.20933888
9868491	Non-hydrogen_Atom_Count	32
51683431	TPSA	190
54399	Tautomer_Count	2
58463204	Isotope_Atom_Count	0
5324168	Hydrogen_Bond_Acceptor_Count	2
14707	Structure_Complexity	432
313325	Hydrogen_Bond_Donor_Count	7
37144	TPSA	17.1
92626	XLogP3-AA	3.7
59768	Isotope_Atom_Count	0
706992	Hydrogen_Bond_Donor_Count	0
260859	Mono_Isotopic_Weight	342.117352223
12907914	Rotatable_Bond_Count	0
60196380	Non-hydrogen_Atom_Count	16
59525132	Isotope_Atom_Count	0
53555	Non-hydrogen_Atom_Count	21
75979	Hydrogen_Bond_Acceptor_Count	2
123359989	Defined_Bond_Stereo_Count	0
34515	Non-hydrogen_Atom_Count	24
9578	Structure_Complexity	150
20279764	Mono_Isotopic_Weight	112.125200510
31272	Total_Formal_Charge	0
23662369	Mono_Isotopic_Weight	304.08238656
18787	Mono_Isotopic_Weight	226.110613074
75605138	Rotatable_Bond_Count	6
71464121	Undefined_Atom_Stereo_Count	0
628181	Molecular_Weight	370.5
8210	Non-hydrogen_Atom_Count	15
642781	Structure_Complexity	165
12270637	Total_Formal_Charge	0
242364	Hydrogen_Bond_Donor_Count	2
49621	Defined_Atom_Stereo_Count	0
69610	Non-hydrogen_Atom_Count	5
123761716	Structure_Complexity	80.1
6440728	TPSA	50.9
78704	Rotatable_Bond_Count	2
5459377	Molecular_Weight	677.9
13397	Defined_Bond_Stereo_Count	0
11358077	Total_Formal_Charge	0
4385	Defined_Bond_Stereo_Count	0
9537	Undefined_Bond_Stereo_Count	0
71587119	Rotatable_Bond_Count	12
6424	Isotope_Atom_Count	0
1672	Total_Formal_Charge	0
139024314	Defined_Atom_Stereo_Count	5
53948566	Rotatable_Bond_Count	7
35641	XLogP3-AA	2.5
3794	Hydrogen_Bond_Acceptor_Count	6
78836	Defined_Atom_Stereo_Count	0
51935	Defined_Bond_Stereo_Count	0
12386899	Rotatable_Bond_Count	3
71361084	Defined_Atom_Stereo_Count	0
156963402	Defined_Bond_Stereo_Count	1
71457293	Exact_Mass	469.1404486
22386229	Defined_Bond_Stereo_Count	0
941385	Defined_Atom_Stereo_Count	2
6445091	Undefined_Atom_Stereo_Count	0
4097	Undefined_Bond_Stereo_Count	0
9470	Rotatable_Bond_Count	4
2978	TPSA	29.5
76065	Undefined_Bond_Stereo_Count	0
463694	Hydrogen_Bond_Acceptor_Count	4
7812	Hydrogen_Bond_Donor_Count	1
580061	Structure_Complexity	87.1
3114	Exact_Mass	339.231062557
8906	XLogP3	7.2
10221	Hydrogen_Bond_Donor_Count	1
116129411	Total_Formal_Charge	0
21040078	Covalent_Unit_Count	1
16106	Rotatable_Bond_Count	1
101237041	Hydrogen_Bond_Donor_Count	4
542352	Defined_Atom_Stereo_Count	0
9921468	Structure_Complexity	370
9942228	Covalent_Unit_Count	2
15940949	Exact_Mass	495.27332129
24838347	Structure_Complexity	187
9817140	Undefined_Bond_Stereo_Count	0
163591174	Non-hydrogen_Atom_Count	7
627458	Undefined_Atom_Stereo_Count	0
38464	Covalent_Unit_Count	1
15677233	Total_Formal_Charge	0
63985	Hydrogen_Bond_Donor_Count	1
9571009	Undefined_Atom_Stereo_Count	1
45029742	Exact_Mass	302.07903816
30154	Total_Formal_Charge	0
8923919	Defined_Bond_Stereo_Count	0
46934730	Mono_Isotopic_Weight	265.09635999
18327244	Molecular_Weight	287.4
10658	Non-hydrogen_Atom_Count	14
155977656	Hydrogen_Bond_Acceptor_Count	10
14264246	Isotope_Atom_Count	0
62978	TPSA	175
24721009	Rotatable_Bond_Count	7
1730	Covalent_Unit_Count	1
23567795	Covalent_Unit_Count	1
5282375	Exact_Mass	354.21949481
97959	Molecular_Weight	128.21
68071	Defined_Bond_Stereo_Count	0
11661757	Covalent_Unit_Count	2
93012	Hydrogen_Bond_Donor_Count	1
65280	Molecular_Weight	295.32
70683717	XLogP3-AA	2.9
171296	Exact_Mass	291.1138399
84677	Isotope_Atom_Count	0
637930	Defined_Bond_Stereo_Count	1
19843	XLogP3-AA	0.7
25263055	Mono_Isotopic_Weight	237.10010796
49806720	Defined_Bond_Stereo_Count	0
59277791	Hydrogen_Bond_Acceptor_Count	2
12875216	Non-hydrogen_Atom_Count	56
13740445	Molecular_Weight	97.12
241023	Covalent_Unit_Count	1
604152	Mono_Isotopic_Weight	201.115364102
25052023	Defined_Bond_Stereo_Count	0
28615	Structure_Complexity	292
4020	Isotope_Atom_Count	0
123485747	Defined_Bond_Stereo_Count	0
123840	Non-hydrogen_Atom_Count	23
165295	Defined_Bond_Stereo_Count	0
81416328	Molecular_Weight	114.19
7530950	Hydrogen_Bond_Acceptor_Count	2
166775	Mono_Isotopic_Weight	666.22185834
10347501	Undefined_Atom_Stereo_Count	1
23532160	Structure_Complexity	94.5
22812306	Hydrogen_Bond_Acceptor_Count	1
6917663	Covalent_Unit_Count	1
69994	Undefined_Bond_Stereo_Count	0
92154	Structure_Complexity	269
439570	Exact_Mass	150.104465066
69986	Mono_Isotopic_Weight	139.026943022
61208	Hydrogen_Bond_Donor_Count	0
45357888	Undefined_Bond_Stereo_Count	0
5384876	Defined_Atom_Stereo_Count	0
23892	Molecular_Weight	360.1
39764	Hydrogen_Bond_Acceptor_Count	6
129010024	Undefined_Atom_Stereo_Count	0
16052015	Isotope_Atom_Count	0
153722581	Non-hydrogen_Atom_Count	6
527526	Hydrogen_Bond_Acceptor_Count	0
72941442	Undefined_Bond_Stereo_Count	0
11093	TPSA	0
53324426	Total_Formal_Charge	0
70476156	Hydrogen_Bond_Donor_Count	3
10866290	Exact_Mass	111.104799419
2719	Total_Formal_Charge	0
37250	Hydrogen_Bond_Donor_Count	0
73170	Non-hydrogen_Atom_Count	31
9901946	Covalent_Unit_Count	1
89664	Undefined_Atom_Stereo_Count	0
156591873	Exact_Mass	657.5337115
538333	Non-hydrogen_Atom_Count	8
6537099	Total_Formal_Charge	0
9909202	Molecular_Weight	404.7
12278548	Exact_Mass	111.079647300
15559460	Undefined_Atom_Stereo_Count	5
69488	Structure_Complexity	25.5
12579408	Exact_Mass	98.073164938
3086157	Defined_Atom_Stereo_Count	0
10882	Total_Formal_Charge	0
75081	Hydrogen_Bond_Donor_Count	0
16161315	Hydrogen_Bond_Donor_Count	22
91231076	Rotatable_Bond_Count	0
164767	Undefined_Atom_Stereo_Count	0
71072034	Molecular_Weight	491.4
5731	Molecular_Weight	287.36
88482362	Structure_Complexity	182
57514051	Tautomer_Count	999
72728884	Isotope_Atom_Count	0
71464628	Non-hydrogen_Atom_Count	30
117217480	Undefined_Bond_Stereo_Count	0
100937012	Undefined_Bond_Stereo_Count	0
5318998	Hydrogen_Bond_Donor_Count	2
7243	Structure_Complexity	62.9
23525993	Structure_Complexity	91.1
92884	Molecular_Weight	189.12
695341	Structure_Complexity	218
86443	Undefined_Bond_Stereo_Count	0
76229	Tautomer_Count	1
53718834	Undefined_Atom_Stereo_Count	1
429	TPSA	155
161562	Exact_Mass	394.13266896
89374433	Structure_Complexity	118
45749	Exact_Mass	1333.67002241
13848133	Hydrogen_Bond_Acceptor_Count	1
15232	Hydrogen_Bond_Acceptor_Count	12
860	Exact_Mass	278.224580195
126968498	Undefined_Atom_Stereo_Count	0
23688461	Covalent_Unit_Count	2
5578	TPSA	106
57090177	TPSA	28.7
413487	Undefined_Bond_Stereo_Count	0
133109022	Molecular_Weight	505.7
60155366	Hydrogen_Bond_Acceptor_Count	9
86287524	Rotatable_Bond_Count	0
67499	Undefined_Bond_Stereo_Count	0
10289038	Isotope_Atom_Count	0
75564	TPSA	43.1
11684817	Rotatable_Bond_Count	12
10382	Undefined_Atom_Stereo_Count	0
52948200	Non-hydrogen_Atom_Count	29
1549065	TPSA	77.6
8710	Covalent_Unit_Count	1
2833	Exact_Mass	399.16818752
2118	Exact_Mass	308.0828741
6741	Total_Formal_Charge	0
59859430	Non-hydrogen_Atom_Count	23
133562785	TPSA	662
130993429	Total_Formal_Charge	0
2794575	Total_Formal_Charge	0
74106	XLogP3-AA	4.5
85989631	Isotope_Atom_Count	0
19089031	Non-hydrogen_Atom_Count	7
9912092	Exact_Mass	460.13042228
139405	XLogP3-AA	0.8
5083	Undefined_Atom_Stereo_Count	0
12271363	Defined_Atom_Stereo_Count	0
6436658	Hydrogen_Bond_Donor_Count	4
142891	Rotatable_Bond_Count	3
48000	Undefined_Atom_Stereo_Count	0
14989494	Covalent_Unit_Count	1
8069	Hydrogen_Bond_Acceptor_Count	2
617614	Hydrogen_Bond_Donor_Count	1
11332503	Tautomer_Count	1
59336	Undefined_Atom_Stereo_Count	0
87905888	Hydrogen_Bond_Donor_Count	2
111206	XLogP3-AA	1.4
71311382	Hydrogen_Bond_Donor_Count	0
18955278	Mono_Isotopic_Weight	97.052763847
9547928	XLogP3-AA	3.2
164877	Covalent_Unit_Count	1
22081030	Mono_Isotopic_Weight	111.032028402
13733	Hydrogen_Bond_Donor_Count	1
69602	Defined_Atom_Stereo_Count	0
10046	Defined_Bond_Stereo_Count	0
5325504	Isotope_Atom_Count	0
10341154	Undefined_Bond_Stereo_Count	0
34338	Total_Formal_Charge	0
10409908	Undefined_Bond_Stereo_Count	0
59440	Defined_Atom_Stereo_Count	0
151093	Defined_Bond_Stereo_Count	0
67707714	Mono_Isotopic_Weight	114.068079557
5282425	Undefined_Bond_Stereo_Count	0
5329098	Undefined_Bond_Stereo_Count	0
5459973	Rotatable_Bond_Count	1
11188898	Mono_Isotopic_Weight	404.17697855
57156265	Structure_Complexity	147
184900	Total_Formal_Charge	0
142647132	Mono_Isotopic_Weight	115.063328530
18029	Undefined_Atom_Stereo_Count	0
4667	Undefined_Bond_Stereo_Count	1
492405	Tautomer_Count	7
9230	Molecular_Weight	117.15
118210492	Defined_Atom_Stereo_Count	0
3433	Structure_Complexity	402
10405997	Exact_Mass	356.23514488
17778385	TPSA	38.6
6540640	Molecular_Weight	505.0
135565932	Isotope_Atom_Count	0
44146693	Undefined_Bond_Stereo_Count	0
74886	Structure_Complexity	731
44600	Hydrogen_Bond_Donor_Count	2
58242071	Undefined_Atom_Stereo_Count	2
59603622	Isotope_Atom_Count	0
29801	Hydrogen_Bond_Acceptor_Count	3
71743	Non-hydrogen_Atom_Count	23
6918988	Isotope_Atom_Count	0
71857	Exact_Mass	375.15426879
472946	Isotope_Atom_Count	0
88301824	Rotatable_Bond_Count	1
123334	Isotope_Atom_Count	0
497377	Undefined_Bond_Stereo_Count	0
106701	TPSA	26.3
59105109	Hydrogen_Bond_Acceptor_Count	6
3317081	XLogP3-AA	3.2
10233356	Mono_Isotopic_Weight	657.19428341
43858	Undefined_Bond_Stereo_Count	0
25014844	Covalent_Unit_Count	1
5359	Undefined_Atom_Stereo_Count	1
56626368	Structure_Complexity	74.2
6440459	Total_Formal_Charge	0
10612	Defined_Atom_Stereo_Count	0
5388962	Non-hydrogen_Atom_Count	27
13652	Hydrogen_Bond_Donor_Count	0
6713972	Covalent_Unit_Count	1
79961	Structure_Complexity	59.7
42768	Molecular_Weight	520.6
23676736	Hydrogen_Bond_Donor_Count	1
5481173	Non-hydrogen_Atom_Count	37
5009	Defined_Bond_Stereo_Count	0
7370	Non-hydrogen_Atom_Count	10
22378	Covalent_Unit_Count	2
11717831	Undefined_Bond_Stereo_Count	0
4192	Defined_Bond_Stereo_Count	0
121903	Isotope_Atom_Count	0
5489258	TPSA	0
73425380	Covalent_Unit_Count	1
21699428	Hydrogen_Bond_Donor_Count	1
10206844	Covalent_Unit_Count	1
372978	Covalent_Unit_Count	1
13401731	TPSA	21.9
79302	Structure_Complexity	132
9873570	XLogP3-AA	3.7
138335	Defined_Atom_Stereo_Count	0
75460	Molecular_Weight	157.60
31762	Structure_Complexity	522
118855445	Mono_Isotopic_Weight	712.27966526
129636908	Covalent_Unit_Count	2
12488467	Covalent_Unit_Count	1
11582651	Defined_Atom_Stereo_Count	1
10429215	Hydrogen_Bond_Acceptor_Count	4
68109743	Undefined_Atom_Stereo_Count	0
92247	Exact_Mass	368.401816278
88153493	Undefined_Bond_Stereo_Count	0
71721420	Structure_Complexity	95.3
14900	Undefined_Bond_Stereo_Count	0
63853	Molecular_Weight	363.4
11567	Hydrogen_Bond_Acceptor_Count	1
152274	Total_Formal_Charge	0
10052040	Isotope_Atom_Count	0
163091	Hydrogen_Bond_Donor_Count	0
46906319	Exact_Mass	325.14780704
89175197	Rotatable_Bond_Count	0
27872	Undefined_Atom_Stereo_Count	0
53678373	Non-hydrogen_Atom_Count	8
3381	Defined_Bond_Stereo_Count	0
2200	Hydrogen_Bond_Acceptor_Count	2
12544003	Molecular_Weight	100.16
25167947	XLogP3-AA	4.7
54000569	Defined_Atom_Stereo_Count	0
6452419	Molecular_Weight	322.9
10406	Exact_Mass	199.229999929
314184	Covalent_Unit_Count	1
6432709	Covalent_Unit_Count	1
74209	Defined_Bond_Stereo_Count	0
84647654	Defined_Bond_Stereo_Count	0
93532990	Undefined_Bond_Stereo_Count	0
11154544	Hydrogen_Bond_Donor_Count	2
20784557	Non-hydrogen_Atom_Count	8
57522038	Rotatable_Bond_Count	7
75184787	Exact_Mass	412.15691181
136400	Undefined_Atom_Stereo_Count	0
18597	Exact_Mass	150.104465066
10219384	Undefined_Atom_Stereo_Count	0
21809017	Hydrogen_Bond_Donor_Count	0
14819	Defined_Bond_Stereo_Count	0
10159630	Covalent_Unit_Count	1
9958041	Tautomer_Count	2
18918215	Defined_Bond_Stereo_Count	0
1470715	Defined_Bond_Stereo_Count	0
102738	Total_Formal_Charge	0
58242	Undefined_Bond_Stereo_Count	0
15979	XLogP3-AA	9.3
14758064	Isotope_Atom_Count	0
533994	Covalent_Unit_Count	1
9867061	Non-hydrogen_Atom_Count	30
21653	Tautomer_Count	10
5486194	Rotatable_Bond_Count	8
2580	Rotatable_Bond_Count	6
6437877	Undefined_Bond_Stereo_Count	0
92233	TPSA	53.3
87279497	Hydrogen_Bond_Donor_Count	4
55289386	Defined_Atom_Stereo_Count	0
68975085	Exact_Mass	86.084398327
64821	Hydrogen_Bond_Acceptor_Count	2
70580528	Rotatable_Bond_Count	2
54765302	Exact_Mass	375.15513817
40637217	XLogP3-AA	3.3
133667882	Hydrogen_Bond_Acceptor_Count	1
123208701	Molecular_Weight	99.17
71755913	Hydrogen_Bond_Acceptor_Count	3
57358782	Molecular_Weight	416.6
132399083	Hydrogen_Bond_Donor_Count	7
63045	Molecular_Weight	448.5
62705689	Total_Formal_Charge	0
14566517	Rotatable_Bond_Count	0
2997881	Rotatable_Bond_Count	1
60396	Rotatable_Bond_Count	2
676243	Structure_Complexity	409
1504097	Non-hydrogen_Atom_Count	8
5284614	Hydrogen_Bond_Donor_Count	0
5282492	XLogP3	3.9
123899588	Non-hydrogen_Atom_Count	8
22160808	Non-hydrogen_Atom_Count	8
12688	Covalent_Unit_Count	1
102446	Non-hydrogen_Atom_Count	5
442072	Non-hydrogen_Atom_Count	20
977	TPSA	34.1
23725051	Structure_Complexity	237
5281515	Non-hydrogen_Atom_Count	15
46934729	Total_Formal_Charge	0
123840004	Hydrogen_Bond_Acceptor_Count	0
22245467	TPSA	127
49597	Hydrogen_Bond_Acceptor_Count	5
17234	Total_Formal_Charge	0
15073	Isotope_Atom_Count	0
67050	Rotatable_Bond_Count	0
5282549	Covalent_Unit_Count	1
9908783	Molecular_Weight	397.4
11594966	Hydrogen_Bond_Acceptor_Count	3
685814	XLogP3-AA	1.6
57750364	Non-hydrogen_Atom_Count	32
18382	Hydrogen_Bond_Donor_Count	1
12763	Hydrogen_Bond_Acceptor_Count	0
2723598	Hydrogen_Bond_Donor_Count	3
92938	Defined_Bond_Stereo_Count	0
46780884	Defined_Atom_Stereo_Count	0
7331	Mono_Isotopic_Weight	272.07970687
74523	Hydrogen_Bond_Donor_Count	2
85668777	XLogP3-AA	4
136086851	Covalent_Unit_Count	2
135992859	Isotope_Atom_Count	0
10471931	Undefined_Bond_Stereo_Count	0
57750329	Hydrogen_Bond_Acceptor_Count	5
90479783	Hydrogen_Bond_Acceptor_Count	10
14970970	Undefined_Atom_Stereo_Count	1
4343483	TPSA	0
11182600	Molecular_Weight	117.15
71560031	Undefined_Atom_Stereo_Count	0
59874134	TPSA	20.2
44112	Defined_Bond_Stereo_Count	0
13314	Hydrogen_Bond_Donor_Count	1
15208461	Non-hydrogen_Atom_Count	7
54738	Rotatable_Bond_Count	3
46906319	Molecular_Weight	325.4
53237112	Undefined_Bond_Stereo_Count	0
3085168	Exact_Mass	562.21444394
6918191	XLogP3-AA	3.1
56665393	Isotope_Atom_Count	0
10442928	Undefined_Bond_Stereo_Count	0
14184222	Rotatable_Bond_Count	2
12381421	TPSA	12.5
91122567	TPSA	18.5
139588352	Exact_Mass	1314.32434128
75357255	Isotope_Atom_Count	0
146779553	Undefined_Bond_Stereo_Count	0
73949	Rotatable_Bond_Count	0
42993	Mono_Isotopic_Weight	339.14705815
11391	Tautomer_Count	1
6921	Total_Formal_Charge	0
28207	Defined_Bond_Stereo_Count	0
9588170	Defined_Atom_Stereo_Count	0
62856	Undefined_Bond_Stereo_Count	0
90264	Tautomer_Count	5
24826	Covalent_Unit_Count	5
9347	Molecular_Weight	659.0
71024610	Exact_Mass	342.11621151
26248	Non-hydrogen_Atom_Count	27
92938	Rotatable_Bond_Count	8
6328174	Defined_Atom_Stereo_Count	0
11576068	Undefined_Atom_Stereo_Count	0
123558404	Hydrogen_Bond_Donor_Count	0
13889162	Defined_Bond_Stereo_Count	0
143719689	Total_Formal_Charge	0
60196273	Rotatable_Bond_Count	2
16008685	XLogP3-AA	2.7
12763	Molecular_Weight	126.24
5281521	Structure_Complexity	307
53786	Hydrogen_Bond_Acceptor_Count	4
21614701	Undefined_Atom_Stereo_Count	0
11804701	Structure_Complexity	97
60605	Hydrogen_Bond_Acceptor_Count	9
3394	TPSA	37.3
41209	Isotope_Atom_Count	0
71322980	Exact_Mass	116.083729621
13111185	TPSA	26.3
33196	Non-hydrogen_Atom_Count	22
25076512	Exact_Mass	1633.77700666
72199784	Non-hydrogen_Atom_Count	35
65963	Total_Formal_Charge	0
12637126	Undefined_Bond_Stereo_Count	0
17977495	Molecular_Weight	92.03
66081	Defined_Bond_Stereo_Count	0
17756	Molecular_Weight	104.15
21720139	Isotope_Atom_Count	0
74864	Defined_Bond_Stereo_Count	0
306	Mono_Isotopic_Weight	226.04773803
37610	Covalent_Unit_Count	1
57751150	Molecular_Weight	113.11
5191	Covalent_Unit_Count	1
52940883	Total_Formal_Charge	0
2741000	Covalent_Unit_Count	1
27979	Hydrogen_Bond_Acceptor_Count	2
25006685	TPSA	84.2
57548589	Hydrogen_Bond_Donor_Count	0
22899343	Hydrogen_Bond_Donor_Count	1
5622	Structure_Complexity	1260
11245700	Hydrogen_Bond_Donor_Count	1
44429	Undefined_Bond_Stereo_Count	0
9013	Covalent_Unit_Count	1
64738	Rotatable_Bond_Count	4
123754760	Molecular_Weight	110.20
11332430	Isotope_Atom_Count	0
26106	Undefined_Bond_Stereo_Count	0
216293	Exact_Mass	811.2013520
101567485	Rotatable_Bond_Count	2
75317	Molecular_Weight	122.17
4678	Exact_Mass	205.13140809
440864	Exact_Mass	104.047344113
21908797	Total_Formal_Charge	0
16129706	Mono_Isotopic_Weight	1636.71665551
31621	Molecular_Weight	300.4
40470	Defined_Atom_Stereo_Count	0
4786	Undefined_Bond_Stereo_Count	0
10245972	Defined_Bond_Stereo_Count	4
93009	Molecular_Weight	196.29
208916	Non-hydrogen_Atom_Count	14
441141	Mono_Isotopic_Weight	1447.4301997
4657547	Tautomer_Count	1
23670774	Total_Formal_Charge	0
7282	TPSA	0
66684	Molecular_Weight	339.2
220	Total_Formal_Charge	0
448	XLogP3	0.9
11027	Structure_Complexity	207
2545	Hydrogen_Bond_Acceptor_Count	4
6917700	Defined_Bond_Stereo_Count	0
84811	Undefined_Atom_Stereo_Count	0
535634	Non-hydrogen_Atom_Count	6
76771	Rotatable_Bond_Count	1
11303	Isotope_Atom_Count	0
87157524	Structure_Complexity	211
56646651	Non-hydrogen_Atom_Count	26
9960569	Defined_Atom_Stereo_Count	0
18984686	Total_Formal_Charge	0
656652	Molecular_Weight	283.33
5814	Isotope_Atom_Count	0
71541096	Isotope_Atom_Count	0
34327	Exact_Mass	204.093900383
135476770	Hydrogen_Bond_Donor_Count	6
3876660	TPSA	40
10931394	Defined_Bond_Stereo_Count	0
130443213	Covalent_Unit_Count	1
20056743	Isotope_Atom_Count	0
72253	Total_Formal_Charge	0
10492	Isotope_Atom_Count	0
6441606	Undefined_Atom_Stereo_Count	0
4173327	Covalent_Unit_Count	1
64772	Total_Formal_Charge	0
37993	TPSA	70
71458923	Isotope_Atom_Count	0
5746249	Non-hydrogen_Atom_Count	33
18314227	Mono_Isotopic_Weight	99.104799419
10660	Mono_Isotopic_Weight	469.1880675
6436158	Covalent_Unit_Count	1
66071	Mono_Isotopic_Weight	88.100048391
23462	Total_Formal_Charge	0
24860538	Mono_Isotopic_Weight	361.875716
11286230	Rotatable_Bond_Count	3
60155274	XLogP3-AA	1.8
57399125	Exact_Mass	391.09324650
10034073	Covalent_Unit_Count	1
5351257	Mono_Isotopic_Weight	354.07395278
12695916	TPSA	17.1
13129596	Covalent_Unit_Count	1
24901143	Isotope_Atom_Count	0
59435876	Non-hydrogen_Atom_Count	10
15601	Hydrogen_Bond_Acceptor_Count	4
96132	TPSA	67.5
21594228	Molecular_Weight	532.7
21590468	Isotope_Atom_Count	0
132279500	Rotatable_Bond_Count	0
19494	Undefined_Atom_Stereo_Count	0
49865783	Hydrogen_Bond_Acceptor_Count	2
721456	Undefined_Bond_Stereo_Count	0
7499	Rotatable_Bond_Count	1
57535	Hydrogen_Bond_Acceptor_Count	4
5281522	XLogP3-AA	4.4
3516	Undefined_Bond_Stereo_Count	0
11700183	Hydrogen_Bond_Donor_Count	5
135424953	Non-hydrogen_Atom_Count	18
76964745	Isotope_Atom_Count	0
16656889	Covalent_Unit_Count	1
1013432	Hydrogen_Bond_Donor_Count	1
27304	TPSA	135
12656387	XLogP3-AA	0
29385	Hydrogen_Bond_Donor_Count	0
34173590	Hydrogen_Bond_Acceptor_Count	11
21402940	Total_Formal_Charge	0
6379	Rotatable_Bond_Count	0
11126225	Hydrogen_Bond_Acceptor_Count	2
87815038	Undefined_Atom_Stereo_Count	0
11405875	Hydrogen_Bond_Acceptor_Count	3
16218742	Undefined_Bond_Stereo_Count	0
2735049	Mono_Isotopic_Weight	306.03038692
245	Rotatable_Bond_Count	5
11243536	Hydrogen_Bond_Acceptor_Count	2
9978	TPSA	37.3
75050	Exact_Mass	314.318480578
448925	Rotatable_Bond_Count	4
42008	Defined_Bond_Stereo_Count	0
77991437	Rotatable_Bond_Count	0
21879777	XLogP3-AA	1.1
24643	Exact_Mass	236.934287
11643980	Non-hydrogen_Atom_Count	11
102488279	Hydrogen_Bond_Donor_Count	0
3676	TPSA	32.3
39056	Mono_Isotopic_Weight	295.157228913
54445181	Undefined_Atom_Stereo_Count	0
64953	Exact_Mass	365.00705
54429687	Hydrogen_Bond_Acceptor_Count	3
439285	Defined_Bond_Stereo_Count	0
86620451	Isotope_Atom_Count	0
62872	XLogP3	7.3
68186	Undefined_Bond_Stereo_Count	0
25059	Hydrogen_Bond_Donor_Count	1
166548151	Mono_Isotopic_Weight	107.073499291
73200935	TPSA	0
7077	Defined_Bond_Stereo_Count	0
81920	Non-hydrogen_Atom_Count	13
6183357	Isotope_Atom_Count	0
17909343	Exact_Mass	100.063662883
448537	Structure_Complexity	286
101955	Mono_Isotopic_Weight	102.0086696
20592404	Isotope_Atom_Count	0
13624608	Hydrogen_Bond_Donor_Count	1
24502	Molecular_Weight	294.18
24896135	Undefined_Bond_Stereo_Count	0
54742	TPSA	62
76430	Total_Formal_Charge	0
65495	Hydrogen_Bond_Acceptor_Count	5
12777	Undefined_Atom_Stereo_Count	1
131535	Defined_Atom_Stereo_Count	3
4538	Hydrogen_Bond_Donor_Count	3
25849	Rotatable_Bond_Count	5
49855886	XLogP3-AA	2.3
9425	Non-hydrogen_Atom_Count	37
53903478	Isotope_Atom_Count	0
11646829	Defined_Bond_Stereo_Count	0
12725	Structure_Complexity	70.1
123870	Undefined_Atom_Stereo_Count	1
93131	Structure_Complexity	146
89225	Undefined_Atom_Stereo_Count	1
9861147	Mono_Isotopic_Weight	300.208930132
57335384	Non-hydrogen_Atom_Count	40
25010775	Hydrogen_Bond_Donor_Count	3
62816	Defined_Bond_Stereo_Count	0
44241626	Structure_Complexity	921
5326956	TPSA	115
9754	Mono_Isotopic_Weight	201.96548
45791267	Rotatable_Bond_Count	2
3035044	Undefined_Atom_Stereo_Count	0
119086019	Total_Formal_Charge	0
136091	Defined_Bond_Stereo_Count	0
57144446	Rotatable_Bond_Count	0
129815925	TPSA	24.4
23278715	Exact_Mass	620.35923573
3958	Total_Formal_Charge	0
11519741	Defined_Atom_Stereo_Count	1
23262897	Rotatable_Bond_Count	1
67938294	Hydrogen_Bond_Acceptor_Count	2
2608576	Total_Formal_Charge	0
2752445	Isotope_Atom_Count	0
44345198	Hydrogen_Bond_Acceptor_Count	5
102513886	TPSA	50
10251906	Covalent_Unit_Count	1
57089031	Covalent_Unit_Count	1
6918222	Undefined_Atom_Stereo_Count	0
6427770	Undefined_Bond_Stereo_Count	0
1344	Mono_Isotopic_Weight	114.115698455
25138203	Molecular_Weight	354.4
150067	Defined_Atom_Stereo_Count	0
65573986	Hydrogen_Bond_Acceptor_Count	1
24386	Covalent_Unit_Count	1
16211113	Structure_Complexity	112
10215	Undefined_Atom_Stereo_Count	0
213020	Structure_Complexity	324
49787489	Exact_Mass	220.13757671
114523	Molecular_Weight	160.25
21328181	Hydrogen_Bond_Donor_Count	2
14751894	Mono_Isotopic_Weight	100.063662883
28213	Undefined_Atom_Stereo_Count	0
74278	Defined_Atom_Stereo_Count	0
95578	Non-hydrogen_Atom_Count	10
99963	Non-hydrogen_Atom_Count	7
72506564	Undefined_Atom_Stereo_Count	0
15565709	TPSA	50.8
50983	Defined_Bond_Stereo_Count	0
19778718	Mono_Isotopic_Weight	112.052429494
6452300	Mono_Isotopic_Weight	156.847063
21914506	Non-hydrogen_Atom_Count	8
59330719	Undefined_Atom_Stereo_Count	0
9929138	Covalent_Unit_Count	2
18738120	Tautomer_Count	2
70520512	Undefined_Atom_Stereo_Count	2
618150	TPSA	26.3
71884	Rotatable_Bond_Count	20
141329202	Rotatable_Bond_Count	0
6915	Hydrogen_Bond_Acceptor_Count	2
41092	Defined_Atom_Stereo_Count	0
53479	Defined_Atom_Stereo_Count	0
99486	TPSA	26.3
23111554	Rotatable_Bond_Count	4
455	Undefined_Bond_Stereo_Count	0
448513	XLogP3	0.4
22627013	Hydrogen_Bond_Acceptor_Count	2
721137	Mono_Isotopic_Weight	292.0502366
51132	Mono_Isotopic_Weight	132.078644241
98790	Non-hydrogen_Atom_Count	14
6401	Covalent_Unit_Count	1
14552708	Non-hydrogen_Atom_Count	17
679386	Non-hydrogen_Atom_Count	19
16221	Hydrogen_Bond_Donor_Count	0
161500	Hydrogen_Bond_Acceptor_Count	9
10264356	XLogP3	2.5
152199271	Exact_Mass	112.088815002
54684589	Undefined_Bond_Stereo_Count	0
68626	Mono_Isotopic_Weight	296.1291556
636396	Hydrogen_Bond_Donor_Count	13
24503	Undefined_Atom_Stereo_Count	0
3035	Defined_Bond_Stereo_Count	0
571982	Hydrogen_Bond_Acceptor_Count	18
2724144	Molecular_Weight	89.56
23379007	Rotatable_Bond_Count	0
17881	Non-hydrogen_Atom_Count	44
157857	Mono_Isotopic_Weight	280.92511883
10796703	TPSA	12
61347	Hydrogen_Bond_Acceptor_Count	1
14909259	Undefined_Bond_Stereo_Count	0
256737	TPSA	60.7
24892775	Covalent_Unit_Count	1
3811100	Tautomer_Count	2
16162116	Hydrogen_Bond_Donor_Count	42
222549	Non-hydrogen_Atom_Count	18
17750876	TPSA	190
78383862	Defined_Atom_Stereo_Count	0
13115325	Hydrogen_Bond_Acceptor_Count	0
151497	Total_Formal_Charge	0
192630	Undefined_Bond_Stereo_Count	0
82650946	Defined_Atom_Stereo_Count	0
52914006	Undefined_Atom_Stereo_Count	2
19816937	Molecular_Weight	111.10
9912743	Total_Formal_Charge	0
854418	Molecular_Weight	267.28
108147	Hydrogen_Bond_Acceptor_Count	12
5746387	Defined_Bond_Stereo_Count	0
102293	Defined_Atom_Stereo_Count	0
1203	Defined_Atom_Stereo_Count	0
10636633	Hydrogen_Bond_Donor_Count	0
101813505	Mono_Isotopic_Weight	363.03549594
72163100	Covalent_Unit_Count	1
4460493	Hydrogen_Bond_Donor_Count	0
8262	Defined_Atom_Stereo_Count	0
9432	Isotope_Atom_Count	0
13925935	Undefined_Bond_Stereo_Count	0
543664	Defined_Bond_Stereo_Count	0
309	Defined_Atom_Stereo_Count	0
18720	Isotope_Atom_Count	0
163090688	Undefined_Atom_Stereo_Count	7
82953	Exact_Mass	268.019149
31635	Non-hydrogen_Atom_Count	18
26956	Undefined_Bond_Stereo_Count	1
2792	TPSA	77.5
45806	Rotatable_Bond_Count	8
23679005	Undefined_Bond_Stereo_Count	0
10138259	Total_Formal_Charge	0
19027815	Mono_Isotopic_Weight	107.073499291
32281	Defined_Bond_Stereo_Count	0
14440271	Structure_Complexity	46.8
52988031	Rotatable_Bond_Count	0
577	Exact_Mass	342.14002096
53728	Hydrogen_Bond_Donor_Count	0
13556	Defined_Bond_Stereo_Count	0
5267	Molecular_Weight	416.6
71584165	Exact_Mass	359.13036271
140047825	Total_Formal_Charge	0
13573329	Total_Formal_Charge	0
24214097	Rotatable_Bond_Count	4
712421	Defined_Atom_Stereo_Count	1
19022	Defined_Atom_Stereo_Count	0
71115	Undefined_Bond_Stereo_Count	0
11532248	Covalent_Unit_Count	1
141779543	Mono_Isotopic_Weight	98.073164938
15273920	XLogP3-AA	1
19918	XLogP3-AA	2.3
139057938	Mono_Isotopic_Weight	365.1142338
163636613	Undefined_Bond_Stereo_Count	0
13760528	Total_Formal_Charge	0
65422334	Exact_Mass	114.104465066
7266	Total_Formal_Charge	0
135460621	TPSA	146
105146	Rotatable_Bond_Count	0
15129	Hydrogen_Bond_Donor_Count	1
4030	Rotatable_Bond_Count	4
163548545	Exact_Mass	112.052429494
4739	Structure_Complexity	356
119380	Structure_Complexity	163
34415	Covalent_Unit_Count	1
444022	Defined_Atom_Stereo_Count	6
10336	Undefined_Bond_Stereo_Count	1
14626857	Mono_Isotopic_Weight	559.21409234
133169	Structure_Complexity	155
1950	Non-hydrogen_Atom_Count	16
131751505	Hydrogen_Bond_Acceptor_Count	8
11876	Structure_Complexity	199
8862	Defined_Bond_Stereo_Count	0
101306917	Hydrogen_Bond_Acceptor_Count	4
76040	Rotatable_Bond_Count	0
389	Isotope_Atom_Count	0
135596593	Covalent_Unit_Count	1
97375	Undefined_Atom_Stereo_Count	0
3038481	Hydrogen_Bond_Acceptor_Count	11
326	Rotatable_Bond_Count	2
10134976	TPSA	77.5
24848419	TPSA	93.5
7672	Defined_Bond_Stereo_Count	0
19604274	Mono_Isotopic_Weight	192.05349212
6328648	Covalent_Unit_Count	1
24950594	Undefined_Bond_Stereo_Count	0
126997316	Defined_Bond_Stereo_Count	0
71449989	Mono_Isotopic_Weight	393.20861303
12657448	Undefined_Bond_Stereo_Count	0
67938294	Molecular_Weight	95.10
387179	Non-hydrogen_Atom_Count	10
5284551	TPSA	163
61523	Exact_Mass	164.120115130
21874242	Hydrogen_Bond_Acceptor_Count	13
71449988	Undefined_Atom_Stereo_Count	0
24705	TPSA	18.5
69689	Tautomer_Count	3
77912	Structure_Complexity	261
12367600	Isotope_Atom_Count	0
7482	Defined_Atom_Stereo_Count	0
132471895	Molecular_Weight	210.21
121444434	Molecular_Weight	109.17
79723	Hydrogen_Bond_Acceptor_Count	8
88890036	Rotatable_Bond_Count	1
9689	Tautomer_Count	1
6326334	Hydrogen_Bond_Acceptor_Count	8
6326281	Hydrogen_Bond_Acceptor_Count	2
4659568	TPSA	130
3055174	Hydrogen_Bond_Acceptor_Count	8
122345	TPSA	90.4
14200531	XLogP3-AA	1.3
13315542	Structure_Complexity	78
71308226	Rotatable_Bond_Count	7
13087266	Structure_Complexity	64.6
1548886	Non-hydrogen_Atom_Count	25
53145	Defined_Bond_Stereo_Count	0
6506803	Structure_Complexity	771
24405	Mono_Isotopic_Weight	335.15935417
30429	Isotope_Atom_Count	0
52948174	TPSA	77.2
590596	XLogP3-AA	1.3
15446403	Hydrogen_Bond_Donor_Count	0
1550489	Rotatable_Bond_Count	0
6609	Defined_Bond_Stereo_Count	0
3085267	Defined_Atom_Stereo_Count	0
134558090	Isotope_Atom_Count	0
889896	Structure_Complexity	423
306049	Mono_Isotopic_Weight	222.0811428
10328	Mono_Isotopic_Weight	119.073499291
16033	Defined_Bond_Stereo_Count	0
173411	Hydrogen_Bond_Acceptor_Count	9
20767638	Covalent_Unit_Count	1
59968312	Undefined_Atom_Stereo_Count	0
23663974	Hydrogen_Bond_Donor_Count	3
69833	Hydrogen_Bond_Acceptor_Count	1
9936	Undefined_Bond_Stereo_Count	0
104930	Defined_Bond_Stereo_Count	0
23263	Tautomer_Count	1
106999	Defined_Bond_Stereo_Count	0
15438	Exact_Mass	222.06742811
12214113	Rotatable_Bond_Count	1
62388	Exact_Mass	224.14124450
92395	Defined_Atom_Stereo_Count	0
6866	Defined_Bond_Stereo_Count	0
37270	XLogP3	7.5
59557415	Defined_Atom_Stereo_Count	0
17305	Defined_Atom_Stereo_Count	0
135412609	Undefined_Bond_Stereo_Count	0
143331072	Hydrogen_Bond_Donor_Count	0
168707	Hydrogen_Bond_Acceptor_Count	4
565855	Hydrogen_Bond_Acceptor_Count	3
535053	Rotatable_Bond_Count	1
9090	TPSA	50.6
3033877	Defined_Atom_Stereo_Count	0
5372600	Hydrogen_Bond_Acceptor_Count	2
9821945	Total_Formal_Charge	0
70608	Defined_Bond_Stereo_Count	0
123678021	Total_Formal_Charge	0
21067	Covalent_Unit_Count	1
21044269	Total_Formal_Charge	0
51081	Defined_Atom_Stereo_Count	0
3073200	Defined_Atom_Stereo_Count	0
77441779	Rotatable_Bond_Count	2
91326539	Molecular_Weight	96.17
89350	Defined_Atom_Stereo_Count	0
406167	TPSA	120
557737	TPSA	18.5
87321867	Undefined_Atom_Stereo_Count	0
66684067	XLogP3-AA	4.3
22530	Undefined_Atom_Stereo_Count	0
5743396	Mono_Isotopic_Weight	113.02992040
22648408	Defined_Bond_Stereo_Count	0
19977	Undefined_Bond_Stereo_Count	0
6433082	Rotatable_Bond_Count	10
7140	Hydrogen_Bond_Donor_Count	1
11786594	Hydrogen_Bond_Donor_Count	2
21800	Total_Formal_Charge	0
435439	Non-hydrogen_Atom_Count	51
71584542	Exact_Mass	413.18517499
73755062	Defined_Bond_Stereo_Count	6
159772	Undefined_Bond_Stereo_Count	0
53395363	Hydrogen_Bond_Donor_Count	2
44521023	Total_Formal_Charge	0
23680486	Hydrogen_Bond_Acceptor_Count	5
108850	Total_Formal_Charge	0
3040551	Covalent_Unit_Count	2
6074	Defined_Bond_Stereo_Count	0
135900090	Exact_Mass	822.40512330
8491	Tautomer_Count	1
10288	XLogP3-AA	4.3
10770	Molecular_Weight	261.36
21984	Defined_Bond_Stereo_Count	0
119098289	Defined_Bond_Stereo_Count	0
12305761	Rotatable_Bond_Count	3
8248	Tautomer_Count	6
24865620	XLogP3-AA	5.9
77507	Non-hydrogen_Atom_Count	15
4642	Mono_Isotopic_Weight	344.20999276
5288149	Hydrogen_Bond_Donor_Count	3
565082	TPSA	40.5
124886	Hydrogen_Bond_Donor_Count	6
79332	TPSA	35.5
23354329	Structure_Complexity	111
12201380	Structure_Complexity	123
20965	Rotatable_Bond_Count	6
11548	Total_Formal_Charge	0
112446	Hydrogen_Bond_Donor_Count	0
12867691	Mono_Isotopic_Weight	167.073499291
11569967	Rotatable_Bond_Count	6
2155	Hydrogen_Bond_Donor_Count	1
5488638	Structure_Complexity	1790
21723655	TPSA	20.2
2777109	Isotope_Atom_Count	0
45479680	Defined_Atom_Stereo_Count	0
5351141	Mono_Isotopic_Weight	435.1844180
92979	Defined_Bond_Stereo_Count	0
70217	Defined_Atom_Stereo_Count	0
17617	Structure_Complexity	181
67512	Defined_Atom_Stereo_Count	0
139057564	Hydrogen_Bond_Donor_Count	2
135921797	Undefined_Bond_Stereo_Count	0
657004	Hydrogen_Bond_Acceptor_Count	5
31260	Undefined_Bond_Stereo_Count	0
60196405	Hydrogen_Bond_Acceptor_Count	5
65620	TPSA	33.1
53645872	Undefined_Bond_Stereo_Count	0
5327131	Undefined_Atom_Stereo_Count	0
16036825	Total_Formal_Charge	0
305	Mono_Isotopic_Weight	104.107539070
10444413	XLogP3	3.2
2775641	Defined_Atom_Stereo_Count	0
449355	Defined_Bond_Stereo_Count	0
67322	Undefined_Bond_Stereo_Count	0
54415369	Structure_Complexity	58.7
57514051	Undefined_Atom_Stereo_Count	0
736331	Mono_Isotopic_Weight	221.10519334
13073879	Exact_Mass	116.083729621
65741	Non-hydrogen_Atom_Count	16
21519587	Undefined_Bond_Stereo_Count	0
2512	Hydrogen_Bond_Acceptor_Count	4
656580	Molecular_Weight	423.2
10866300	Structure_Complexity	101
9832383	Defined_Atom_Stereo_Count	2
37968	Defined_Bond_Stereo_Count	0
86062	Total_Formal_Charge	0
59969	Hydrogen_Bond_Acceptor_Count	3
134694856	Total_Formal_Charge	0
37927	Undefined_Bond_Stereo_Count	0
132130914	Total_Formal_Charge	0
16131448	Molecular_Weight	1809.0
6419719	Defined_Atom_Stereo_Count	0
16219744	Exact_Mass	252.0165308
136115428	Molecular_Weight	111.11
23599753	Total_Formal_Charge	0
903168	Defined_Atom_Stereo_Count	0
261501	Exact_Mass	261.06709375
498716	Undefined_Bond_Stereo_Count	0
76959818	Total_Formal_Charge	1
12914157	Total_Formal_Charge	0
59503407	Molecular_Weight	193.16
6473739	Undefined_Atom_Stereo_Count	1
137076	XLogP3-AA	2
57156265	Mono_Isotopic_Weight	108.057514874
57572416	Undefined_Atom_Stereo_Count	1
132471895	Isotope_Atom_Count	0
118984411	Exact_Mass	405.14323607
71360804	XLogP3	2.8
13177014	Isotope_Atom_Count	0
5282198	Defined_Atom_Stereo_Count	1
137699058	Undefined_Bond_Stereo_Count	0
75994	Undefined_Atom_Stereo_Count	0
3082532	Undefined_Atom_Stereo_Count	2
68704	Defined_Bond_Stereo_Count	0
2733279	Hydrogen_Bond_Acceptor_Count	3
9866186	Defined_Bond_Stereo_Count	1
49787489	Undefined_Bond_Stereo_Count	0
30020	Covalent_Unit_Count	1
71226662	Tautomer_Count	6
12644714	Mono_Isotopic_Weight	112.052429494
13490845	Undefined_Bond_Stereo_Count	0
325086	Mono_Isotopic_Weight	114.031694049
4223	Structure_Complexity	584
23954	Undefined_Atom_Stereo_Count	0
91439614	Defined_Atom_Stereo_Count	0
81445	Hydrogen_Bond_Donor_Count	1
38019	Exact_Mass	359.841466
35492	Covalent_Unit_Count	1
216294	Exact_Mass	452.21720340
125183302	Undefined_Atom_Stereo_Count	0
5284380	Defined_Atom_Stereo_Count	4
41037	Undefined_Atom_Stereo_Count	1
134695341	Structure_Complexity	1550
102730	Rotatable_Bond_Count	2
14931	TPSA	59.3
14078847	Total_Formal_Charge	0
24763119	Rotatable_Bond_Count	5
126969108	Exact_Mass	868.56604061
4463	Undefined_Atom_Stereo_Count	0
12811926	Covalent_Unit_Count	1
154496863	Non-hydrogen_Atom_Count	23
13445117	Rotatable_Bond_Count	1
5463907	Undefined_Bond_Stereo_Count	0
228131	Exact_Mass	162.079312947
106999	Isotope_Atom_Count	0
115001	Hydrogen_Bond_Donor_Count	0
146157141	TPSA	23.5
3831985	Non-hydrogen_Atom_Count	31
89789591	Undefined_Atom_Stereo_Count	0
138492	Hydrogen_Bond_Acceptor_Count	4
8899	Exact_Mass	243.219829168
103528	Total_Formal_Charge	0
6603945	Molecular_Weight	220.25
9809002	Hydrogen_Bond_Acceptor_Count	6
11967617	Molecular_Weight	1104.99
135399235	XLogP3-AA	1.6
59296081	Covalent_Unit_Count	1
53631972	XLogP3-AA	0.3
9815689	Hydrogen_Bond_Donor_Count	0
6604557	Defined_Bond_Stereo_Count	0
16399	TPSA	20.2
53987564	Mono_Isotopic_Weight	117.042593085
145019560	TPSA	34
51553	Defined_Bond_Stereo_Count	0
65624	Isotope_Atom_Count	0
124707323	Hydrogen_Bond_Donor_Count	0
56972759	Isotope_Atom_Count	0
69561	Hydrogen_Bond_Donor_Count	3
33184	TPSA	41.1
18381542	Non-hydrogen_Atom_Count	28
21180574	Tautomer_Count	5
25654	TPSA	131
123637651	Defined_Bond_Stereo_Count	0
80277	Total_Formal_Charge	0
177085	Molecular_Weight	184.62
2423	Isotope_Atom_Count	0
2350	Mono_Isotopic_Weight	388.1553704
454216	Undefined_Bond_Stereo_Count	0
25607	XLogP3	5.5
182951	Molecular_Weight	413.2
45116687	Hydrogen_Bond_Donor_Count	1
7512	Undefined_Atom_Stereo_Count	0
13643838	Non-hydrogen_Atom_Count	8
146487258	Structure_Complexity	92.5
65093	XLogP3-AA	2.6
62403	Rotatable_Bond_Count	9
54585643	TPSA	89
21670561	Structure_Complexity	109
132236745	Covalent_Unit_Count	1
12736014	Isotope_Atom_Count	0
3367	Undefined_Atom_Stereo_Count	4
3433	Isotope_Atom_Count	0
89881183	Exact_Mass	396.1101515
9363	Non-hydrogen_Atom_Count	16
7470	Covalent_Unit_Count	1
135814	Mono_Isotopic_Weight	296.17360725
11282394	Covalent_Unit_Count	1
26033	Tautomer_Count	1
8614	Mono_Isotopic_Weight	304.95489
154983	Tautomer_Count	1
51029782	Mono_Isotopic_Weight	401.20630436
35922	Exact_Mass	301.14780704
73707684	Defined_Atom_Stereo_Count	0
88305	Covalent_Unit_Count	1
6957965	Non-hydrogen_Atom_Count	29
22274936	Defined_Atom_Stereo_Count	0
71584163	Rotatable_Bond_Count	5
17004	Covalent_Unit_Count	1
1465	Isotope_Atom_Count	0
93079	Isotope_Atom_Count	0
146159565	Exact_Mass	515.25191714
12002494	Hydrogen_Bond_Donor_Count	1
31200	Undefined_Atom_Stereo_Count	0
45120389	Defined_Bond_Stereo_Count	0
61141	Undefined_Atom_Stereo_Count	0
20666035	Undefined_Bond_Stereo_Count	0
118210808	XLogP3-AA	0.3
3093785	Non-hydrogen_Atom_Count	17
5371	Rotatable_Bond_Count	6
15940571	TPSA	119
15565709	Mono_Isotopic_Weight	406.06588
102232	TPSA	78.9
12431565	Hydrogen_Bond_Donor_Count	1
72941955	Total_Formal_Charge	0
136585	Tautomer_Count	1
9981404	Hydrogen_Bond_Acceptor_Count	7
91495606	Hydrogen_Bond_Donor_Count	0
123070	Mono_Isotopic_Weight	20.0564071114
6077765	Defined_Bond_Stereo_Count	1
4115	Molecular_Weight	345.6
397053	XLogP3-AA	4.5
1240	Rotatable_Bond_Count	6
14535398	Molecular_Weight	151.97
9961469	Undefined_Bond_Stereo_Count	0
13638937	Molecular_Weight	257.23
8378	Hydrogen_Bond_Acceptor_Count	19
17806	Exact_Mass	294.25319498
123971568	Covalent_Unit_Count	1
87703	Total_Formal_Charge	0
4587	Isotope_Atom_Count	0
4369579	Molecular_Weight	239.30
6978	Structure_Complexity	155
556492	TPSA	20.2
71453749	XLogP3-AA	3.6
10476254	Exact_Mass	402.0553392
5284554	Isotope_Atom_Count	0
36604	TPSA	12
12951488	Isotope_Atom_Count	0
57438703	Mono_Isotopic_Weight	115.99703987
984821	Mono_Isotopic_Weight	395.13688739
285375	Rotatable_Bond_Count	2
140653	Undefined_Atom_Stereo_Count	1
115305	Hydrogen_Bond_Donor_Count	2
54582513	Total_Formal_Charge	0
57521	Exact_Mass	564.16787042
11469055	Covalent_Unit_Count	1
32872	XLogP3	4.1
18981712	TPSA	3.2
117763868	Mono_Isotopic_Weight	419.34787550
197066	TPSA	152
441302	Defined_Atom_Stereo_Count	7
24906324	Covalent_Unit_Count	1
59792626	Structure_Complexity	19.2
101725836	Defined_Bond_Stereo_Count	2
143339316	Defined_Atom_Stereo_Count	0
12056759	Undefined_Bond_Stereo_Count	0
22281319	Mono_Isotopic_Weight	97.052763847
144813235	TPSA	52.3
115219	TPSA	137
503	Molecular_Weight	117.11
933147	Structure_Complexity	360
6432469	XLogP3-AA	2.7
243313	Isotope_Atom_Count	0
165675	Hydrogen_Bond_Acceptor_Count	1
20316	Hydrogen_Bond_Donor_Count	0
2312	Undefined_Atom_Stereo_Count	0
2734940	Hydrogen_Bond_Acceptor_Count	0
160312	Defined_Bond_Stereo_Count	0
5817	Hydrogen_Bond_Donor_Count	1
3084338	TPSA	35.2
22379495	Molecular_Weight	101.15
57399672	Covalent_Unit_Count	1
44455117	Total_Formal_Charge	0
11234052	XLogP3-AA	3
403805	Hydrogen_Bond_Donor_Count	8
11569967	Exact_Mass	451.24958677
60196371	Covalent_Unit_Count	1
136892	TPSA	38.3
21625926	Non-hydrogen_Atom_Count	7
87323	Defined_Bond_Stereo_Count	0
4731	Covalent_Unit_Count	1
30291	Molecular_Weight	278.39
5966	Defined_Atom_Stereo_Count	0
139088049	Mono_Isotopic_Weight	683.203529
449394	XLogP3-AA	2.5
50367	Isotope_Atom_Count	0
56886	Molecular_Weight	275.3
103	Hydrogen_Bond_Donor_Count	11
2343	Hydrogen_Bond_Donor_Count	2
102533943	Isotope_Atom_Count	0
79484	TPSA	57.5
71743843	Structure_Complexity	136
15532	Defined_Atom_Stereo_Count	0
123672484	Structure_Complexity	78.6
2797779	Non-hydrogen_Atom_Count	8
2788	XLogP3	3.5
68790	Covalent_Unit_Count	1
13180929	Exact_Mass	108.068748264
19736124	Defined_Atom_Stereo_Count	0
44630251	Rotatable_Bond_Count	5
6857474	Undefined_Bond_Stereo_Count	0
79005	Hydrogen_Bond_Acceptor_Count	1
258618	Defined_Atom_Stereo_Count	0
521759	Molecular_Weight	96.17
17963141	TPSA	87.3
91339524	Molecular_Weight	96.13
11274968	Structure_Complexity	74.2
18410493	Defined_Atom_Stereo_Count	0
20838642	Isotope_Atom_Count	0
545831	Covalent_Unit_Count	1
11004	Covalent_Unit_Count	1
797972	Total_Formal_Charge	0
91623917	Defined_Atom_Stereo_Count	0
5353853	XLogP3-AA	6.1
129729130	Non-hydrogen_Atom_Count	34
79583	Structure_Complexity	283
2779031	Isotope_Atom_Count	0
20563296	Defined_Bond_Stereo_Count	0
81588	Rotatable_Bond_Count	2
17462	Isotope_Atom_Count	0
87161809	Hydrogen_Bond_Acceptor_Count	3
5217	Hydrogen_Bond_Acceptor_Count	6
14050	Tautomer_Count	1
46883936	Undefined_Bond_Stereo_Count	0
13609260	Structure_Complexity	78.6
57351929	Defined_Bond_Stereo_Count	0
19077501	Non-hydrogen_Atom_Count	27
595161	XLogP3-AA	1.7
62334	Tautomer_Count	1
12791421	Non-hydrogen_Atom_Count	8
9967055	Molecular_Weight	324.4
101321425	Undefined_Atom_Stereo_Count	1
135418587	Exact_Mass	86.02286070
71309028	Undefined_Bond_Stereo_Count	0
54266316	Non-hydrogen_Atom_Count	6
20259182	Total_Formal_Charge	0
22198	TPSA	29.3
97389	Hydrogen_Bond_Donor_Count	1
443984	Non-hydrogen_Atom_Count	29
67126	Defined_Atom_Stereo_Count	0
76900	Total_Formal_Charge	0
64953	Hydrogen_Bond_Acceptor_Count	9
11947765	Hydrogen_Bond_Acceptor_Count	5
6433272	Mono_Isotopic_Weight	925.50349992
6917866	Hydrogen_Bond_Acceptor_Count	4
5460588	Hydrogen_Bond_Donor_Count	2
20767631	Structure_Complexity	104
6476333	Tautomer_Count	288
9866186	TPSA	57.5
45852	Total_Formal_Charge	0
118371793	Non-hydrogen_Atom_Count	8
18497	Total_Formal_Charge	0
99010	Rotatable_Bond_Count	3
5351154	Tautomer_Count	108
22138511	Covalent_Unit_Count	1
443979	Isotope_Atom_Count	0
23625795	Molecular_Weight	588.2
9614919	Rotatable_Bond_Count	3
156963344	TPSA	85.2
69591	Molecular_Weight	144.17
8482	Total_Formal_Charge	0
5492929	Total_Formal_Charge	0
10537	Hydrogen_Bond_Donor_Count	1
5232423	XLogP3	4.7
54706667	Exact_Mass	203.03443370
246	Molecular_Weight	370.5
119082985	Exact_Mass	96.068748264
54046888	Undefined_Atom_Stereo_Count	1
62926	Total_Formal_Charge	0
2728270	Non-hydrogen_Atom_Count	24
71309128	Mono_Isotopic_Weight	186.08351711
123217920	Molecular_Weight	98.10
44392087	Isotope_Atom_Count	0
4498	Mono_Isotopic_Weight	129.078978594
158815	Exact_Mass	165.115364102
9416	Total_Formal_Charge	0
69667	Hydrogen_Bond_Acceptor_Count	0
71273	Defined_Bond_Stereo_Count	0
28532	Exact_Mass	163.038176411
49862626	Defined_Atom_Stereo_Count	0
1550330	Non-hydrogen_Atom_Count	21
34170	Structure_Complexity	143
20782632	Mono_Isotopic_Weight	114.104465066
3497	Hydrogen_Bond_Acceptor_Count	4
153442	Hydrogen_Bond_Donor_Count	1
31762	Total_Formal_Charge	0
87481476	Defined_Atom_Stereo_Count	0
188803	Hydrogen_Bond_Donor_Count	5
68600	Defined_Atom_Stereo_Count	2
11281445	Total_Formal_Charge	0
783	Defined_Bond_Stereo_Count	0
25244520	Non-hydrogen_Atom_Count	10
1647	Defined_Bond_Stereo_Count	0
18699327	Isotope_Atom_Count	0
101248703	Hydrogen_Bond_Donor_Count	3
3080653	Undefined_Atom_Stereo_Count	0
33630	Defined_Bond_Stereo_Count	0
23667628	Isotope_Atom_Count	0
53145	Isotope_Atom_Count	0
14079973	Structure_Complexity	71.3
12557376	Structure_Complexity	42.8
12585787	XLogP3-AA	2.2
162265	Mono_Isotopic_Weight	151.099714038
24196	Defined_Bond_Stereo_Count	0
8880	Undefined_Bond_Stereo_Count	0
337100	Isotope_Atom_Count	0
3009	Mono_Isotopic_Weight	182.08668395
155290	Undefined_Bond_Stereo_Count	0
439233	Structure_Complexity	202
135437	Undefined_Atom_Stereo_Count	0
15267570	Total_Formal_Charge	0
54706138	Tautomer_Count	246
248370	Undefined_Atom_Stereo_Count	0
2341	Undefined_Atom_Stereo_Count	1
123359989	Defined_Atom_Stereo_Count	0
4047	Total_Formal_Charge	0
13858	Molecular_Weight	109.13
51029782	Total_Formal_Charge	0
25199798	TPSA	74.6
5364509	Non-hydrogen_Atom_Count	21
6642	Structure_Complexity	235
143122	Hydrogen_Bond_Acceptor_Count	0
9264	Covalent_Unit_Count	1
3033690	Structure_Complexity	582
9596	Undefined_Atom_Stereo_Count	0
24776154	Undefined_Atom_Stereo_Count	1
123649851	Mono_Isotopic_Weight	101.084063974
33498	Isotope_Atom_Count	0
24266	Mono_Isotopic_Weight	143.93644758
20054964	Undefined_Atom_Stereo_Count	1
7456	Defined_Atom_Stereo_Count	0
15940571	Hydrogen_Bond_Donor_Count	2
445319	Exact_Mass	118.05646950
20483609	Rotatable_Bond_Count	1
57441994	Undefined_Atom_Stereo_Count	0
5329098	XLogP3-AA	2.5
216326	Undefined_Bond_Stereo_Count	0
139058315	Structure_Complexity	537
54689800	Rotatable_Bond_Count	4
446758	TPSA	60.7
69341308	Hydrogen_Bond_Acceptor_Count	2
3933	Mono_Isotopic_Weight	649.7822
3062280	Rotatable_Bond_Count	8
12888377	Mono_Isotopic_Weight	109.063997236
70696864	XLogP3-AA	2.1
16132954	Hydrogen_Bond_Acceptor_Count	22
5086465	Defined_Bond_Stereo_Count	0
54111	TPSA	38.8
447700	Exact_Mass	426.0650312
25015692	Non-hydrogen_Atom_Count	37
70321834	Hydrogen_Bond_Acceptor_Count	3
22141508	Rotatable_Bond_Count	2
60207729	Hydrogen_Bond_Donor_Count	1
17187	Mono_Isotopic_Weight	492.280464
92416	Isotope_Atom_Count	0
242493	Isotope_Atom_Count	0
51935	Defined_Atom_Stereo_Count	0
3777	Undefined_Bond_Stereo_Count	1
646135	Total_Formal_Charge	0
20003	Undefined_Bond_Stereo_Count	0
68129	XLogP3-AA	0
54411340	Covalent_Unit_Count	1
14523627	Non-hydrogen_Atom_Count	28
5053558	XLogP3-AA	0.1
27448	Exact_Mass	438.76997
5281034	Exact_Mass	332.23514488
11664966	Isotope_Atom_Count	0
5311447	Exact_Mass	466.15961441
100472	Structure_Complexity	343
30020	Exact_Mass	130.099379685
75258	Structure_Complexity	384
9570639	Total_Formal_Charge	0
44419427	Covalent_Unit_Count	1
73265310	Covalent_Unit_Count	1
12102501	Undefined_Atom_Stereo_Count	0
219990	Total_Formal_Charge	0
18428363	Exact_Mass	92.037448136
54675866	Mono_Isotopic_Weight	153.01878364
71459117	Hydrogen_Bond_Donor_Count	1
85792	Non-hydrogen_Atom_Count	14
65522	Hydrogen_Bond_Acceptor_Count	3
66535	Total_Formal_Charge	0
164512	Isotope_Atom_Count	0
522105	Exact_Mass	143.0501770
140945	XLogP3-AA	1.8
55290205	Exact_Mass	98.048012819
86022	Undefined_Atom_Stereo_Count	2
134129703	Structure_Complexity	1700
825877	Defined_Bond_Stereo_Count	0
135801111	Isotope_Atom_Count	0
8670	Defined_Bond_Stereo_Count	0
69644	Defined_Bond_Stereo_Count	0
10449	Tautomer_Count	1
9989237	Structure_Complexity	68.3
4363	Isotope_Atom_Count	0
557903	Undefined_Atom_Stereo_Count	0
9576891	XLogP3-AA	2.2
642325	Covalent_Unit_Count	1
24414	Molecular_Weight	233.39
57372628	Rotatable_Bond_Count	6
137076	Non-hydrogen_Atom_Count	8
130026523	Structure_Complexity	121
150986	Hydrogen_Bond_Acceptor_Count	3
9743	Defined_Atom_Stereo_Count	0
23618458	Undefined_Atom_Stereo_Count	0
59713	Structure_Complexity	384
87985965	Defined_Atom_Stereo_Count	0
10975416	Defined_Atom_Stereo_Count	0
88211	Molecular_Weight	92.16
71737800	Defined_Bond_Stereo_Count	0
10942665	Undefined_Atom_Stereo_Count	0
6858	Hydrogen_Bond_Acceptor_Count	4
154526012	TPSA	26.3
25749227	TPSA	77.7
11386	Isotope_Atom_Count	0
36822	Hydrogen_Bond_Acceptor_Count	2
16154789	XLogP3-AA	1.7
443874	Tautomer_Count	3
12386877	Non-hydrogen_Atom_Count	6
694638	Exact_Mass	326.12013238
656495	Structure_Complexity	638
71377	Molecular_Weight	473.4
44455083	XLogP3-AA	2.4
36920	Hydrogen_Bond_Acceptor_Count	4
75066	Undefined_Atom_Stereo_Count	0
90579	Tautomer_Count	13
8673	TPSA	151
1268252	Undefined_Bond_Stereo_Count	0
123147402	Undefined_Atom_Stereo_Count	2
20632752	TPSA	24.1
14949211	Undefined_Atom_Stereo_Count	0
20563296	Structure_Complexity	162
5504	Exact_Mass	160.100048391
36821	Covalent_Unit_Count	1
92729	Mono_Isotopic_Weight	416.365430770
67511	Defined_Bond_Stereo_Count	0
26030	Isotope_Atom_Count	0
8373	Defined_Atom_Stereo_Count	0
2167	Isotope_Atom_Count	0
122	Tautomer_Count	8
15561851	Isotope_Atom_Count	0
31416	TPSA	58.2
129866430	Structure_Complexity	208
53421140	Rotatable_Bond_Count	0
138442	Undefined_Atom_Stereo_Count	0
11850983	Isotope_Atom_Count	0
44119664	Undefined_Atom_Stereo_Count	0
37448	Covalent_Unit_Count	5
17963315	Hydrogen_Bond_Donor_Count	1
87063833	Molecular_Weight	178.76
60700	Hydrogen_Bond_Acceptor_Count	7
86583	Structure_Complexity	257
8499	Undefined_Bond_Stereo_Count	0
44404643	XLogP3-AA	4.2
23039770	Rotatable_Bond_Count	2
82052	Hydrogen_Bond_Donor_Count	0
12302673	Hydrogen_Bond_Acceptor_Count	11
3763	Non-hydrogen_Atom_Count	10
23952	Structure_Complexity	0
11101	Rotatable_Bond_Count	1
65944	Mono_Isotopic_Weight	244.05177804
5154	Molecular_Weight	332.3
59339316	Hydrogen_Bond_Acceptor_Count	2
12397138	Defined_Bond_Stereo_Count	0
42754	Total_Formal_Charge	0
3782034	Isotope_Atom_Count	0
3313	Hydrogen_Bond_Acceptor_Count	4
3033012	Rotatable_Bond_Count	5
658645	Hydrogen_Bond_Donor_Count	2
57644703	Isotope_Atom_Count	0
21914607	Exact_Mass	99.104799419
57564	Total_Formal_Charge	0
25020797	TPSA	76.4
10614	Covalent_Unit_Count	1
41353	Rotatable_Bond_Count	6
5281078	Mono_Isotopic_Weight	433.21005233
98323	Defined_Bond_Stereo_Count	0
5702609	Non-hydrogen_Atom_Count	19
11338127	Mono_Isotopic_Weight	385.15387487
3045402	Undefined_Atom_Stereo_Count	0
56603728	Undefined_Atom_Stereo_Count	1
46587	Rotatable_Bond_Count	5
86632359	Hydrogen_Bond_Donor_Count	0
6215	Total_Formal_Charge	0
712967	Mono_Isotopic_Weight	331.08782920
20230230	Non-hydrogen_Atom_Count	8
7701	Undefined_Atom_Stereo_Count	0
54207973	Hydrogen_Bond_Donor_Count	1
11656518	Covalent_Unit_Count	1
34789	Exact_Mass	239.1076919
12029691	Undefined_Atom_Stereo_Count	0
11105327	TPSA	30.7
3037456	Total_Formal_Charge	0
11101	Undefined_Bond_Stereo_Count	0
116842253	Exact_Mass	109.089149355
689784	Covalent_Unit_Count	1
84693	XLogP3-AA	1.6
2209	Exact_Mass	162.02854067
9995236	Mono_Isotopic_Weight	303.99597
71463826	Exact_Mass	460.39164552
10704	TPSA	43.1
11954316	Rotatable_Bond_Count	6
53245830	Hydrogen_Bond_Acceptor_Count	3
1306	Defined_Bond_Stereo_Count	0
25271884	XLogP3-AA	2.2
69957602	Hydrogen_Bond_Donor_Count	1
146743267	Defined_Atom_Stereo_Count	0
143035	Molecular_Weight	68.07
6444353	Mono_Isotopic_Weight	385.0878830
7171	Undefined_Atom_Stereo_Count	1
31243	Molecular_Weight	158.65
58970	Defined_Atom_Stereo_Count	0
18924037	Exact_Mass	113.047678466
3781	Hydrogen_Bond_Acceptor_Count	4
19658	Undefined_Bond_Stereo_Count	0
25001849	Hydrogen_Bond_Acceptor_Count	9
443604	Non-hydrogen_Atom_Count	34
70682214	Total_Formal_Charge	0
91701	Defined_Atom_Stereo_Count	0
11593	Structure_Complexity	106
832495	Defined_Atom_Stereo_Count	0
16049024	Undefined_Atom_Stereo_Count	0
3402	Covalent_Unit_Count	1
656823	Hydrogen_Bond_Acceptor_Count	8
86322	Total_Formal_Charge	0
11137094	Undefined_Atom_Stereo_Count	0
55288974	Defined_Atom_Stereo_Count	0
71482479	Mono_Isotopic_Weight	146.06914219
45488107	Exact_Mass	445.11618739
11212667	Undefined_Atom_Stereo_Count	0
13507024	XLogP3-AA	2.7
54681623	XLogP3-AA	2.7
23262319	Exact_Mass	98.073164938
6632	Defined_Atom_Stereo_Count	0
11597698	Rotatable_Bond_Count	8
446222	Total_Formal_Charge	0
9852904	Molecular_Weight	678.6
5371578	Tautomer_Count	1
140287425	Hydrogen_Bond_Acceptor_Count	1
543885	Structure_Complexity	66.4
6301	Defined_Bond_Stereo_Count	0
45926185	Exact_Mass	345.07093309
398516	Mono_Isotopic_Weight	380.13069707
4017	Mono_Isotopic_Weight	1406.93370526
89493263	Structure_Complexity	158
54886	TPSA	93.6
5382104	Rotatable_Bond_Count	8
11951726	Non-hydrogen_Atom_Count	27
15567019	Molecular_Weight	114.14
636367	Isotope_Atom_Count	0
6814	Structure_Complexity	318
278	Covalent_Unit_Count	1
7030	Hydrogen_Bond_Donor_Count	0
59072033	Undefined_Atom_Stereo_Count	1
8882	Rotatable_Bond_Count	0
30699	Molecular_Weight	423.5
439051	Non-hydrogen_Atom_Count	18
2724505	Covalent_Unit_Count	1
7473	Undefined_Bond_Stereo_Count	0
587348	Isotope_Atom_Count	0
19900876	Covalent_Unit_Count	1
18980946	Structure_Complexity	91.9
73920	Covalent_Unit_Count	1
60195811	Structure_Complexity	449
70498808	Non-hydrogen_Atom_Count	7
5681	Tautomer_Count	1
158299	Hydrogen_Bond_Donor_Count	0
10855	Non-hydrogen_Atom_Count	16
2747993	Undefined_Bond_Stereo_Count	0
19648	Exact_Mass	1456.4334786
827	Molecular_Weight	152.15
9862634	Isotope_Atom_Count	0
87474167	TPSA	35.8
57558295	Covalent_Unit_Count	1
11058021	Undefined_Atom_Stereo_Count	0
90698789	Undefined_Atom_Stereo_Count	0
89334461	Hydrogen_Bond_Donor_Count	0
4409396	Hydrogen_Bond_Acceptor_Count	10
124524515	Hydrogen_Bond_Acceptor_Count	11
19169	Defined_Atom_Stereo_Count	0
44264589	Covalent_Unit_Count	1
10360656	Defined_Atom_Stereo_Count	0
5288193	Covalent_Unit_Count	1
84106846	XLogP3-AA	1.8
23317073	Rotatable_Bond_Count	1
74857	Tautomer_Count	1
34533	Rotatable_Bond_Count	3
108147	Non-hydrogen_Atom_Count	59
9803788	Undefined_Bond_Stereo_Count	0
1097	Undefined_Bond_Stereo_Count	4
2734	Hydrogen_Bond_Donor_Count	2
6427770	XLogP3-AA	2.8
13639661	Structure_Complexity	110
67242031	Exact_Mass	106.027946081
5353510	XLogP3	0
10572530	TPSA	91.8
15130827	Hydrogen_Bond_Acceptor_Count	2
11582651	Molecular_Weight	425.4
54592009	TPSA	63.7
24772043	Molecular_Weight	454.6
71365	TPSA	137
8765	Hydrogen_Bond_Donor_Count	2
79693	Structure_Complexity	131
8627	Isotope_Atom_Count	0
12456453	Hydrogen_Bond_Acceptor_Count	3
10173280	Defined_Atom_Stereo_Count	0
138672	Non-hydrogen_Atom_Count	7
22316388	Molecular_Weight	108.10
62108	Molecular_Weight	458.7
101191397	Undefined_Atom_Stereo_Count	1
16049090	Isotope_Atom_Count	0
12059	Structure_Complexity	98.9
96339	Exact_Mass	166.03784206
688378	XLogP3-AA	0.3
67465	Undefined_Bond_Stereo_Count	0
135456161	Total_Formal_Charge	0
13350797	Exact_Mass	97.052763847
18000118	Isotope_Atom_Count	0
58195	Non-hydrogen_Atom_Count	26
68044	Total_Formal_Charge	0
68384915	TPSA	57.2
9548816	TPSA	102
135430795	Molecular_Weight	491.18
13444041	TPSA	45
15914	Rotatable_Bond_Count	1
4761	XLogP3	2.8
137606	Hydrogen_Bond_Donor_Count	0
4332	Covalent_Unit_Count	1
117059122	Rotatable_Bond_Count	8
6918427	Tautomer_Count	10
64107	TPSA	118
54352844	Covalent_Unit_Count	1
21547708	Tautomer_Count	5
6279	Undefined_Atom_Stereo_Count	0
67054	Undefined_Bond_Stereo_Count	0
21969	Structure_Complexity	230
20811	Defined_Atom_Stereo_Count	0
57400482	Hydrogen_Bond_Acceptor_Count	6
80308	Hydrogen_Bond_Acceptor_Count	2
15559706	Mono_Isotopic_Weight	385.816009
124224932	Non-hydrogen_Atom_Count	59
3995	Exact_Mass	310.1059754
28315	Defined_Bond_Stereo_Count	0
70480	Rotatable_Bond_Count	0
23730921	Mono_Isotopic_Weight	203.105862047
34533	Structure_Complexity	255
129661122	Hydrogen_Bond_Donor_Count	3
3219590	XLogP3-AA	2.9
8052	Isotope_Atom_Count	0
67500	Exact_Mass	135.01427034
53595	Hydrogen_Bond_Donor_Count	2
1331	Defined_Atom_Stereo_Count	0
17753867	Mono_Isotopic_Weight	289.98038
6778	TPSA	52.6
193994	Undefined_Bond_Stereo_Count	0
4832	XLogP3-AA	3.6
118210311	Mono_Isotopic_Weight	110.011627311
572254	Hydrogen_Bond_Acceptor_Count	2
1484500	Total_Formal_Charge	0
24461	Defined_Bond_Stereo_Count	0
36255	Non-hydrogen_Atom_Count	29
17652	Defined_Bond_Stereo_Count	0
62856	Non-hydrogen_Atom_Count	9
54608508	Non-hydrogen_Atom_Count	73
151203809	XLogP3	0.9
13567	Isotope_Atom_Count	0
56679001	Structure_Complexity	586
77077	Defined_Atom_Stereo_Count	0
92214	Non-hydrogen_Atom_Count	11
79148	Defined_Atom_Stereo_Count	0
5474229	Undefined_Bond_Stereo_Count	0
12326432	Structure_Complexity	91.7
11569158	Exact_Mass	477.1567673
81821	Undefined_Bond_Stereo_Count	0
25132069	Rotatable_Bond_Count	5
135779828	Defined_Atom_Stereo_Count	0
44176376	Total_Formal_Charge	1
54323318	Defined_Atom_Stereo_Count	0
638066	Defined_Bond_Stereo_Count	1
89150	Total_Formal_Charge	0
24825758	Molecular_Weight	1169.5
4329	Mono_Isotopic_Weight	638.21838516
7174	Defined_Atom_Stereo_Count	0
94215	Exact_Mass	120.078644241
7086	Isotope_Atom_Count	0
11597697	Undefined_Atom_Stereo_Count	0
45280821	Covalent_Unit_Count	1
442294	Total_Formal_Charge	0
9826528	Undefined_Atom_Stereo_Count	0
214339	Rotatable_Bond_Count	2
20764676	Structure_Complexity	116
23311753	Undefined_Atom_Stereo_Count	2
17564	XLogP3	4.7
44531955	Non-hydrogen_Atom_Count	42
84591	XLogP3-AA	0
9699	Total_Formal_Charge	0
549482	Defined_Atom_Stereo_Count	0
86209	Tautomer_Count	2
57109318	Rotatable_Bond_Count	0
77342	Isotope_Atom_Count	0
30493	Total_Formal_Charge	0
59281	Isotope_Atom_Count	0
44431171	XLogP3-AA	2.6
105037	Mono_Isotopic_Weight	153.078978594
5684	Hydrogen_Bond_Acceptor_Count	5
74068	TPSA	50.1
18923031	Structure_Complexity	82.1
16129670	Rotatable_Bond_Count	132
15337	Undefined_Bond_Stereo_Count	0
11676981	Total_Formal_Charge	0
146795	Defined_Atom_Stereo_Count	0
70435	Structure_Complexity	8
5281065	Defined_Atom_Stereo_Count	0
564996	TPSA	26.3
16960	Structure_Complexity	249
6917698	Defined_Atom_Stereo_Count	2
248703	Molecular_Weight	248.28
12743050	Defined_Atom_Stereo_Count	0
322	Hydrogen_Bond_Acceptor_Count	3
11658655	Structure_Complexity	245
153976605	Defined_Atom_Stereo_Count	0
81450	Molecular_Weight	230.24
99143	Total_Formal_Charge	0
3213	Structure_Complexity	342
92588	Mono_Isotopic_Weight	110.073164938
114948	Mono_Isotopic_Weight	577.32641949
104807	Mono_Isotopic_Weight	134.08776963
44526	Exact_Mass	195.162314293
9961469	Non-hydrogen_Atom_Count	40
49806720	Defined_Atom_Stereo_Count	0
160458	Exact_Mass	128.02735756
141516912	Defined_Bond_Stereo_Count	0
137430	Defined_Bond_Stereo_Count	0
12304109	XLogP3	2.1
661938	Non-hydrogen_Atom_Count	31
32359	Exact_Mass	190.110613074
8875	Hydrogen_Bond_Acceptor_Count	5
85626	Hydrogen_Bond_Donor_Count	0
9299	Mono_Isotopic_Weight	312.9859922
12809444	Mono_Isotopic_Weight	179.058243149
192711	Defined_Atom_Stereo_Count	0
68013637	Hydrogen_Bond_Donor_Count	8
548678	TPSA	29.1
716315	Structure_Complexity	187
13235329	TPSA	0
5309581	TPSA	104
15918976	Hydrogen_Bond_Acceptor_Count	3
101609	Undefined_Bond_Stereo_Count	0
24825272	Defined_Bond_Stereo_Count	0
634493	Hydrogen_Bond_Donor_Count	0
135414420	Mono_Isotopic_Weight	364.04937236
14846	Covalent_Unit_Count	1
59390227	Hydrogen_Bond_Acceptor_Count	6
4953	Covalent_Unit_Count	1
520540	Undefined_Bond_Stereo_Count	0
44190035	Isotope_Atom_Count	0
91543	XLogP3-AA	2.2
163050675	Rotatable_Bond_Count	0
40893	Hydrogen_Bond_Donor_Count	0
163900	Defined_Bond_Stereo_Count	0
9006	Structure_Complexity	108
12480949	Structure_Complexity	94.4
10545864	Defined_Bond_Stereo_Count	0
48889	Non-hydrogen_Atom_Count	18
219096	Total_Formal_Charge	0
71778	Defined_Atom_Stereo_Count	0
9964065	Defined_Atom_Stereo_Count	0
12285892	Covalent_Unit_Count	1
67301	Isotope_Atom_Count	0
10470475	Hydrogen_Bond_Donor_Count	1
16049160	Defined_Atom_Stereo_Count	1
123642	Undefined_Atom_Stereo_Count	2
25526	Total_Formal_Charge	0
23458177	TPSA	53.2
68321815	TPSA	77.2
15209807	Defined_Atom_Stereo_Count	0
11611402	Undefined_Atom_Stereo_Count	1
9835303	Defined_Atom_Stereo_Count	7
542317	Total_Formal_Charge	0
24916897	Defined_Bond_Stereo_Count	0
6971096	Undefined_Bond_Stereo_Count	0
362828	Exact_Mass	297.11134135
32281	Undefined_Atom_Stereo_Count	3
59503411	Exact_Mass	193.12745433
80009	Rotatable_Bond_Count	0
12658877	TPSA	9.2
4369579	Hydrogen_Bond_Donor_Count	4
57369982	Total_Formal_Charge	0
12518095	Undefined_Atom_Stereo_Count	0
10040	Isotope_Atom_Count	0
53947	Isotope_Atom_Count	0
18769664	Defined_Bond_Stereo_Count	0
172306	Exact_Mass	591.1707033
29498	Total_Formal_Charge	0
4164	Exact_Mass	271.06669983
9963148	Rotatable_Bond_Count	26
135887820	Structure_Complexity	1730
59432048	Hydrogen_Bond_Acceptor_Count	4
56842231	Molecular_Weight	1141.3
240230	Molecular_Weight	142.24
42254	Exact_Mass	481.16964407
57395308	Hydrogen_Bond_Donor_Count	4
16737690	Isotope_Atom_Count	0
7011	Exact_Mass	163.099714038
2829715	Total_Formal_Charge	0
21552514	TPSA	50.1
45345	Covalent_Unit_Count	1
85922476	TPSA	20.2
45071972	Hydrogen_Bond_Acceptor_Count	3
5464317	Structure_Complexity	960
7144	Mono_Isotopic_Weight	138.068079557
6096946	Exact_Mass	147.99763447
185554	Covalent_Unit_Count	1
45874	Undefined_Atom_Stereo_Count	1
444679	TPSA	20.2
76319	TPSA	26
3595	Molecular_Weight	388.5
17903417	Covalent_Unit_Count	1
9956119	Undefined_Bond_Stereo_Count	0
119205	Isotope_Atom_Count	0
91227950	XLogP3-AA	0.4
135968625	XLogP3-AA	6.7
3766139	Rotatable_Bond_Count	8
16426	Hydrogen_Bond_Donor_Count	1
71584930	Defined_Bond_Stereo_Count	0
3032600	Defined_Bond_Stereo_Count	0
4507	Undefined_Bond_Stereo_Count	0
23269081	XLogP3-AA	2.2
6432459	Exact_Mass	303.14705815
11416	Hydrogen_Bond_Donor_Count	0
131697803	Isotope_Atom_Count	3
105166	Non-hydrogen_Atom_Count	1
84693	Mono_Isotopic_Weight	112.088815002
91369480	Undefined_Atom_Stereo_Count	3
23668002	Total_Formal_Charge	0
851833	Exact_Mass	230.0377538
543880	TPSA	9.2
5321948	TPSA	87
16757547	Exact_Mass	562.15121
14670	Hydrogen_Bond_Acceptor_Count	4
34697	Total_Formal_Charge	0
681809	Defined_Bond_Stereo_Count	0
2283	TPSA	556
9249	Rotatable_Bond_Count	0
839611	XLogP3-AA	2.9
25142699	Rotatable_Bond_Count	3
30143	Undefined_Bond_Stereo_Count	0
10161315	Defined_Atom_Stereo_Count	0
18928374	Structure_Complexity	94
23305305	Undefined_Atom_Stereo_Count	0
16052039	Exact_Mass	662.4095366
5280581	Defined_Atom_Stereo_Count	0
15877745	XLogP3-AA	1.5
164563	Undefined_Atom_Stereo_Count	0
53689772	Defined_Atom_Stereo_Count	0
6359	Hydrogen_Bond_Acceptor_Count	0
6173	Tautomer_Count	1
12744661	Mono_Isotopic_Weight	83.048347172
16659682	Mono_Isotopic_Weight	408.04580
21617691	Defined_Atom_Stereo_Count	0
5360621	Exact_Mass	461.16858144
69085357	Rotatable_Bond_Count	4
77050711	Hydrogen_Bond_Acceptor_Count	13
197465	Undefined_Bond_Stereo_Count	0
57515973	Hydrogen_Bond_Donor_Count	4
77795	Rotatable_Bond_Count	4
24770445	Undefined_Bond_Stereo_Count	0
6537	Isotope_Atom_Count	0
592645	Non-hydrogen_Atom_Count	12
165457	Molecular_Weight	361.4
90019869	Rotatable_Bond_Count	0
26130	Tautomer_Count	1
135542454	Non-hydrogen_Atom_Count	25
21313738	Hydrogen_Bond_Donor_Count	1
68511084	Total_Formal_Charge	0
134931805	XLogP3-AA	0.8
66824709	Covalent_Unit_Count	1
45116668	Mono_Isotopic_Weight	110.048012819
1282	Covalent_Unit_Count	1
56972198	Mono_Isotopic_Weight	282.0690539
9615347	Rotatable_Bond_Count	10
3047810	XLogP3-AA	2.5
67432369	Non-hydrogen_Atom_Count	7
10191021	Isotope_Atom_Count	0
148763531	Mono_Isotopic_Weight	107.048347172
8112	Defined_Atom_Stereo_Count	0
2734903	TPSA	58.2
34170	Exact_Mass	150.068079557
153852218	XLogP3-AA	0
49771530	Molecular_Weight	88.06
9656	Defined_Bond_Stereo_Count	0
5371728	Molecular_Weight	369.6
71626	Tautomer_Count	1
418940	Defined_Bond_Stereo_Count	0
9867605	Molecular_Weight	435.2
92231	Exact_Mass	220.182715385
3527810	Hydrogen_Bond_Acceptor_Count	2
3416433	Hydrogen_Bond_Acceptor_Count	2
174341	Structure_Complexity	345
5463858	Exact_Mass	303.14705815
5351	Hydrogen_Bond_Acceptor_Count	10
71897	Total_Formal_Charge	0
40470	Hydrogen_Bond_Donor_Count	0
107977	Isotope_Atom_Count	0
6041	TPSA	52.5
89392	Exact_Mass	186.161979940
3683	XLogP3-AA	1.9
65919	XLogP3-AA	0.5
57504473	Total_Formal_Charge	0
162990683	Total_Formal_Charge	0
54584292	Total_Formal_Charge	0
89374440	Isotope_Atom_Count	0
53394153	Structure_Complexity	552
11669698	TPSA	168
317883	Structure_Complexity	679
66863	Hydrogen_Bond_Acceptor_Count	6
48000	Structure_Complexity	936
4261	XLogP3-AA	2
56627	Molecular_Weight	510.3
80779	Undefined_Atom_Stereo_Count	0
38031	Hydrogen_Bond_Donor_Count	0
97758	Non-hydrogen_Atom_Count	6
71455276	Undefined_Bond_Stereo_Count	0
2737403	Isotope_Atom_Count	0
1549062	Molecular_Weight	268.2
7785	Covalent_Unit_Count	1
5289590	Isotope_Atom_Count	0
8816	Defined_Atom_Stereo_Count	0
28107	Mono_Isotopic_Weight	827.46672049
78330	Undefined_Atom_Stereo_Count	0
58265608	Mono_Isotopic_Weight	100.100048391
5352771	Exact_Mass	292.240230259
29084	Rotatable_Bond_Count	2
946899	Undefined_Bond_Stereo_Count	0
4345	Non-hydrogen_Atom_Count	26
5355858	TPSA	26.3
30923	Undefined_Bond_Stereo_Count	0
79437	Defined_Atom_Stereo_Count	0
9796068	XLogP3-AA	1.3
10899025	Defined_Bond_Stereo_Count	0
46795	Molecular_Weight	302.21
31343	Total_Formal_Charge	0
68081017	Defined_Atom_Stereo_Count	0
38706	Defined_Atom_Stereo_Count	0
4162	Covalent_Unit_Count	1
153997	Total_Formal_Charge	0
10271	Isotope_Atom_Count	0
93143	Defined_Bond_Stereo_Count	0
9925544	Defined_Bond_Stereo_Count	1
11789157	Covalent_Unit_Count	1
124769753	Hydrogen_Bond_Donor_Count	1
7566539	Hydrogen_Bond_Acceptor_Count	11
162955685	Mono_Isotopic_Weight	342.11621151
91501507	Exact_Mass	110.109550447
159296	Isotope_Atom_Count	0
197127	Total_Formal_Charge	0
11521070	Undefined_Bond_Stereo_Count	0
8817	Non-hydrogen_Atom_Count	9
131704205	Isotope_Atom_Count	0
3795601	Isotope_Atom_Count	0
20769	Molecular_Weight	128.17
445063	Structure_Complexity	403
9669	Total_Formal_Charge	0
101461666	Exact_Mass	330.03191198
138991760	Undefined_Bond_Stereo_Count	0
71583274	Non-hydrogen_Atom_Count	33
4631	Covalent_Unit_Count	1
11062806	Exact_Mass	168.162648646
71541083	Undefined_Bond_Stereo_Count	0
15424	Rotatable_Bond_Count	9
1956	Hydrogen_Bond_Donor_Count	5
22643	TPSA	35.1
12454	Mono_Isotopic_Weight	400.1376123
2794133	TPSA	121
69160	Covalent_Unit_Count	1
70680234	Undefined_Bond_Stereo_Count	0
5301	Covalent_Unit_Count	1
56120	Exact_Mass	292.0017622
52949613	Undefined_Atom_Stereo_Count	0
3662392	Defined_Bond_Stereo_Count	0
11520894	Structure_Complexity	1940
23663969	Tautomer_Count	152
7777	Rotatable_Bond_Count	6
656629	Defined_Atom_Stereo_Count	4
96759	Exact_Mass	304.121177757
9935073	Exact_Mass	484.1419441
53001	Structure_Complexity	252
121734	Hydrogen_Bond_Donor_Count	1
73957	Defined_Atom_Stereo_Count	0
688091	Molecular_Weight	214.24
69333963	Hydrogen_Bond_Acceptor_Count	2
122415	Defined_Bond_Stereo_Count	0
143342009	Molecular_Weight	95.14
164563	Non-hydrogen_Atom_Count	17
16735405	TPSA	284
4060	Mono_Isotopic_Weight	218.105527694
16131448	Isotope_Atom_Count	0
123373137	Undefined_Bond_Stereo_Count	0
11630056	Defined_Bond_Stereo_Count	0
45266826	XLogP3-AA	2
16219	Rotatable_Bond_Count	16
91267	Covalent_Unit_Count	1
18626423	Non-hydrogen_Atom_Count	8
81832	Hydrogen_Bond_Donor_Count	3
12353957	Total_Formal_Charge	0
9141	Hydrogen_Bond_Acceptor_Count	1
93114	Hydrogen_Bond_Donor_Count	2
241027	Molecular_Weight	139.19
16719897	Molecular_Weight	208.14
117965	Hydrogen_Bond_Donor_Count	2
2826718	Defined_Atom_Stereo_Count	14
12613538	Mono_Isotopic_Weight	177.090211983
135472946	Isotope_Atom_Count	0
917	Hydrogen_Bond_Donor_Count	3
161829	XLogP3	7.7
3548422	Undefined_Atom_Stereo_Count	0
123994818	Molecular_Weight	87.12
819	Rotatable_Bond_Count	67
15290	Total_Formal_Charge	0
16704	Structure_Complexity	92.5
306211	Defined_Bond_Stereo_Count	0
65700	Covalent_Unit_Count	1
53894233	Isotope_Atom_Count	0
644019	Molecular_Weight	314.5
54370143	Mono_Isotopic_Weight	225.126597491
44560574	Defined_Atom_Stereo_Count	1
443376	Molecular_Weight	1101.3
11948	XLogP3	5.5
49865495	Exact_Mass	305.116426730
43976	Covalent_Unit_Count	1
12702413	Isotope_Atom_Count	0
61701	Hydrogen_Bond_Donor_Count	0
53747824	Undefined_Bond_Stereo_Count	0
4641	Defined_Bond_Stereo_Count	0
66095	Exact_Mass	180.115029749
82502376	Mono_Isotopic_Weight	114.05416083
21531	Tautomer_Count	1
68602320	Non-hydrogen_Atom_Count	8
10204	XLogP3	3.3
441337	Hydrogen_Bond_Acceptor_Count	5
13485108	Defined_Bond_Stereo_Count	0
116864150	Non-hydrogen_Atom_Count	8
53211	Structure_Complexity	449
53316376	Hydrogen_Bond_Acceptor_Count	10
43079	TPSA	20.3
21786	Defined_Bond_Stereo_Count	0
9049	TPSA	80
12547675	Hydrogen_Bond_Donor_Count	0
79729	Hydrogen_Bond_Acceptor_Count	4
4078	Undefined_Bond_Stereo_Count	0
9687	Non-hydrogen_Atom_Count	32
182069	Undefined_Bond_Stereo_Count	0
101089158	Exact_Mass	116.083729621
61099	Undefined_Atom_Stereo_Count	2
19907834	Isotope_Atom_Count	0
33786	TPSA	131
70752	Defined_Atom_Stereo_Count	0
118701038	TPSA	0
347477	XLogP3-AA	0.9
72137	Isotope_Atom_Count	0
11840951	Rotatable_Bond_Count	3
558	Undefined_Bond_Stereo_Count	0
643497	Molecular_Weight	341.4
15188270	TPSA	12
131810	Rotatable_Bond_Count	18
6603828	Non-hydrogen_Atom_Count	26
914	Hydrogen_Bond_Acceptor_Count	3
540987	Rotatable_Bond_Count	12
55285488	Non-hydrogen_Atom_Count	7
69333573	TPSA	42.6
22377554	Non-hydrogen_Atom_Count	8
11589453	Undefined_Atom_Stereo_Count	1
4476692	Total_Formal_Charge	0
6432236	Undefined_Atom_Stereo_Count	0
78931	Total_Formal_Charge	0
450503	Covalent_Unit_Count	1
518944	Undefined_Atom_Stereo_Count	0
12580406	Undefined_Bond_Stereo_Count	0
15950514	Total_Formal_Charge	0
74777	Isotope_Atom_Count	0
9954944	Tautomer_Count	16
5329016	Undefined_Atom_Stereo_Count	0
71141	Mono_Isotopic_Weight	519.06645956
67258371	Hydrogen_Bond_Acceptor_Count	3
70846	Undefined_Bond_Stereo_Count	0
18950548	Defined_Atom_Stereo_Count	0
70763	Exact_Mass	142.135765193
104838	Mono_Isotopic_Weight	299.09397721
54	Isotope_Atom_Count	0
23167053	TPSA	59
52942447	XLogP3-AA	4.4
90714454	TPSA	29.5
12589332	Isotope_Atom_Count	0
96772	TPSA	163
80230	Hydrogen_Bond_Acceptor_Count	3
3148	Isotope_Atom_Count	0
53893636	Molecular_Weight	83.13
15568242	Structure_Complexity	62.7
21028424	Defined_Bond_Stereo_Count	0
69033681	Rotatable_Bond_Count	1
781	Total_Formal_Charge	0
9929799	Covalent_Unit_Count	2
16052015	Defined_Atom_Stereo_Count	8
11054313	Rotatable_Bond_Count	2
70686373	Hydrogen_Bond_Donor_Count	2
36431	Exact_Mass	421.2244530
12555	Hydrogen_Bond_Acceptor_Count	3
447360	Hydrogen_Bond_Acceptor_Count	6
24821094	Tautomer_Count	5
243	Hydrogen_Bond_Acceptor_Count	2
2734176	Exact_Mass	281.07680542
3614092	Hydrogen_Bond_Donor_Count	1
11829354	Non-hydrogen_Atom_Count	6
44208849	Rotatable_Bond_Count	4
5736	Tautomer_Count	1
10969	Hydrogen_Bond_Acceptor_Count	2
46869955	Isotope_Atom_Count	0
53317813	Hydrogen_Bond_Acceptor_Count	7
5324168	Structure_Complexity	63.1
83023	Rotatable_Bond_Count	8
9885961	Isotope_Atom_Count	0
84063996	Mono_Isotopic_Weight	116.083729621
65452	Tautomer_Count	3
9782	Rotatable_Bond_Count	2
750190	Defined_Bond_Stereo_Count	0
94317	TPSA	17.1
23377620	Defined_Atom_Stereo_Count	0
25380	Undefined_Bond_Stereo_Count	0
154724068	Non-hydrogen_Atom_Count	12
145909964	Non-hydrogen_Atom_Count	7
21895922	Covalent_Unit_Count	1
6300	Undefined_Bond_Stereo_Count	0
65651	Structure_Complexity	694
12519677	Rotatable_Bond_Count	1
58795738	TPSA	32.9
11394	Total_Formal_Charge	0
183559	Undefined_Atom_Stereo_Count	0
40703	TPSA	36.9
7248	Hydrogen_Bond_Donor_Count	1
24883424	Undefined_Atom_Stereo_Count	0
9915	Isotope_Atom_Count	0
135481969	Hydrogen_Bond_Donor_Count	3
44560911	Covalent_Unit_Count	1
86467	Defined_Atom_Stereo_Count	0
16687131	Mono_Isotopic_Weight	110.109550447
15982533	Undefined_Bond_Stereo_Count	0
63013	Defined_Bond_Stereo_Count	0
73744469	Exact_Mass	581.1663885
3831985	Exact_Mass	440.23583084
449013	Tautomer_Count	2
46228852	Hydrogen_Bond_Acceptor_Count	7
11801	Hydrogen_Bond_Donor_Count	0
23190	Tautomer_Count	2
15032818	Mono_Isotopic_Weight	106.078250319
11482181	Non-hydrogen_Atom_Count	19
89886	Rotatable_Bond_Count	8
24946980	Molecular_Weight	419.6
11250	Molecular_Weight	84.16
898	Exact_Mass	301.05626809
6473767	Hydrogen_Bond_Acceptor_Count	13
49985	Rotatable_Bond_Count	3
54684461	Defined_Atom_Stereo_Count	6
90957031	Hydrogen_Bond_Donor_Count	1
88210	Undefined_Atom_Stereo_Count	0
12224	Non-hydrogen_Atom_Count	4
323188	Mono_Isotopic_Weight	100.063662883
408714	Undefined_Atom_Stereo_Count	1
44719499	Exact_Mass	199.10085685
76730	Exact_Mass	257.04365571
4293071	Undefined_Bond_Stereo_Count	0
16219856	Total_Formal_Charge	0
6077	Total_Formal_Charge	0
2228691	Molecular_Weight	367.8
12519677	Undefined_Bond_Stereo_Count	0
71430	Structure_Complexity	438
100016	Defined_Atom_Stereo_Count	4
24194514	Defined_Bond_Stereo_Count	0
85658	Structure_Complexity	494
104973	Defined_Atom_Stereo_Count	0
4639	Defined_Bond_Stereo_Count	0
465069	Non-hydrogen_Atom_Count	18
11979956	Rotatable_Bond_Count	20
166480	Structure_Complexity	468
101675604	Tautomer_Count	4
39184	Undefined_Atom_Stereo_Count	0
91694113	Molecular_Weight	242.31
8920	Covalent_Unit_Count	1
5468	Mono_Isotopic_Weight	260.05071541
41206	Molecular_Weight	240.34
3146689	Defined_Bond_Stereo_Count	0
74633	Rotatable_Bond_Count	5
887830	Total_Formal_Charge	0
145068	Defined_Atom_Stereo_Count	0
621558	TPSA	118
11458	Defined_Bond_Stereo_Count	0
2225	Defined_Bond_Stereo_Count	0
4518	Covalent_Unit_Count	1
19801	Covalent_Unit_Count	1
2826	Rotatable_Bond_Count	5
23960	Defined_Bond_Stereo_Count	0
645691	Covalent_Unit_Count	1
126769	Hydrogen_Bond_Donor_Count	2
59295969	Rotatable_Bond_Count	10
10712	Mono_Isotopic_Weight	342.11621151
801471	Defined_Atom_Stereo_Count	2
41779	Undefined_Bond_Stereo_Count	0
4523766	Exact_Mass	466.111476
44395044	Total_Formal_Charge	0
2801129	Total_Formal_Charge	0
117072582	Undefined_Atom_Stereo_Count	1
69	Mono_Isotopic_Weight	156.04225873
139670117	XLogP3-AA	0.9
11046239	Hydrogen_Bond_Acceptor_Count	6
39648	Defined_Atom_Stereo_Count	0
725544	Defined_Bond_Stereo_Count	0
7777	Covalent_Unit_Count	1
59434	Isotope_Atom_Count	0
78392	Non-hydrogen_Atom_Count	11
40438	Isotope_Atom_Count	0
9104	Total_Formal_Charge	0
62709	Tautomer_Count	1
34927	Undefined_Atom_Stereo_Count	0
12532405	Defined_Atom_Stereo_Count	0
135398670	Hydrogen_Bond_Acceptor_Count	5
23724556	Isotope_Atom_Count	0
3963	Defined_Atom_Stereo_Count	0
5388510	Mono_Isotopic_Weight	222.0811428
14968895	Hydrogen_Bond_Acceptor_Count	1
18923030	Isotope_Atom_Count	0
435360	Structure_Complexity	172
23369154	Total_Formal_Charge	0
6917857	TPSA	83.8
8344	Exact_Mass	282.11033829
460621	Defined_Atom_Stereo_Count	8
66978	Defined_Atom_Stereo_Count	0
25435	Exact_Mass	526.28768825
22784	Defined_Atom_Stereo_Count	0
6918939	Hydrogen_Bond_Donor_Count	2
59603622	Structure_Complexity	481
24321	Non-hydrogen_Atom_Count	22
21180574	Exact_Mass	108.043596145
8036	Rotatable_Bond_Count	3
44755151	Hydrogen_Bond_Donor_Count	3
53477715	Molecular_Weight	639.5
86439	Defined_Bond_Stereo_Count	0
160355	Non-hydrogen_Atom_Count	26
21791633	Covalent_Unit_Count	1
146156434	Molecular_Weight	602.9
6433695	Defined_Atom_Stereo_Count	0
4825	Hydrogen_Bond_Acceptor_Count	5
318232	Undefined_Atom_Stereo_Count	0
54011	Defined_Bond_Stereo_Count	0
7304	Exact_Mass	81.057849228
519207	Exact_Mass	283.157228913
155977984	Hydrogen_Bond_Acceptor_Count	1
69408	Tautomer_Count	1
7853	Exact_Mass	57.057849228
25008941	Total_Formal_Charge	0
15805	TPSA	21.7
20943	Undefined_Atom_Stereo_Count	3
439693	Defined_Atom_Stereo_Count	4
22108	Undefined_Atom_Stereo_Count	0
44445686	Molecular_Weight	416.6
12375523	Molecular_Weight	100.16
17305	Hydrogen_Bond_Donor_Count	0
5920	Rotatable_Bond_Count	5
882533	Undefined_Bond_Stereo_Count	0
93538	Tautomer_Count	1
49836058	Isotope_Atom_Count	0
54231313	Molecular_Weight	99.09
20324725	Defined_Bond_Stereo_Count	0
9614919	Isotope_Atom_Count	0
34553	XLogP3-AA	5.2
38221	TPSA	144
254656	Exact_Mass	198.07529019
157684	Exact_Mass	825.3868268
3083714	Rotatable_Bond_Count	23
7428	XLogP3	0.9
101001097	Covalent_Unit_Count	1
53317503	Hydrogen_Bond_Acceptor_Count	7
21331	Isotope_Atom_Count	0
86811213	XLogP3-AA	0.9
21622656	Hydrogen_Bond_Donor_Count	2
7487	Undefined_Bond_Stereo_Count	0
157820065	Molecular_Weight	284.35
18719616	Defined_Atom_Stereo_Count	0
21943991	XLogP3-AA	2.2
32582	Hydrogen_Bond_Acceptor_Count	2
156619056	Defined_Bond_Stereo_Count	0
7309	Hydrogen_Bond_Donor_Count	1
71661882	Molecular_Weight	605.1
134797	Non-hydrogen_Atom_Count	10
7745	Non-hydrogen_Atom_Count	7
57013000	XLogP3-AA	0.6
12285892	Non-hydrogen_Atom_Count	12
78493	XLogP3-AA	2.1
11461044	Total_Formal_Charge	0
54046302	TPSA	46.2
1177	Non-hydrogen_Atom_Count	17
129737769	Total_Formal_Charge	0
61916	Covalent_Unit_Count	1
369373	Structure_Complexity	301
13006129	Defined_Bond_Stereo_Count	0
95659	Covalent_Unit_Count	1
4472	Undefined_Bond_Stereo_Count	0
135564890	Defined_Bond_Stereo_Count	0
15420544	Exact_Mass	254.094294304
6321392	Mono_Isotopic_Weight	324.10698424
66082	Tautomer_Count	3
6537099	TPSA	26.3
66062	Undefined_Bond_Stereo_Count	0
102004571	TPSA	118
54700	Total_Formal_Charge	0
2734	Exact_Mass	184.9879707
12561970	Undefined_Bond_Stereo_Count	0
121719	Structure_Complexity	237
31357	Undefined_Atom_Stereo_Count	0
50983	Defined_Atom_Stereo_Count	0
439192	Hydrogen_Bond_Acceptor_Count	6
53893636	Rotatable_Bond_Count	2
11248738	Rotatable_Bond_Count	14
6455792	TPSA	62.8
77531	Defined_Atom_Stereo_Count	0
147556052	Mono_Isotopic_Weight	111.104799419
22273998	Exact_Mass	99.043261792
20194949	Undefined_Bond_Stereo_Count	0
20652033	Total_Formal_Charge	0
153874923	Mono_Isotopic_Weight	113.084063974
79882	Exact_Mass	87.104799419
12519677	Molecular_Weight	111.14
135499741	Hydrogen_Bond_Donor_Count	2
3636092	Hydrogen_Bond_Acceptor_Count	3
398678	Defined_Atom_Stereo_Count	1
89292361	Rotatable_Bond_Count	2
70689351	Isotope_Atom_Count	0
139084363	Undefined_Atom_Stereo_Count	0
61203	Exact_Mass	188.03208797
10857507	Non-hydrogen_Atom_Count	16
7238	Hydrogen_Bond_Acceptor_Count	0
71152	Tautomer_Count	4
17756938	Isotope_Atom_Count	0
6427102	Molecular_Weight	196.29
20727	Undefined_Atom_Stereo_Count	0
12647151	Structure_Complexity	118
3971	Exact_Mass	306.136827821
3790357	Hydrogen_Bond_Donor_Count	1
123835510	Undefined_Atom_Stereo_Count	3
12228201	Undefined_Bond_Stereo_Count	0
41967	Undefined_Atom_Stereo_Count	2
67546	Tautomer_Count	1
76007601	Total_Formal_Charge	0
26428	Molecular_Weight	153.18
52918379	Structure_Complexity	617
129830033	Molecular_Weight	240.56
8405	Mono_Isotopic_Weight	129.057849228
688009	Defined_Atom_Stereo_Count	2
122623	Isotope_Atom_Count	0
47035	Rotatable_Bond_Count	4
61828	Undefined_Atom_Stereo_Count	0
69016240	Hydrogen_Bond_Donor_Count	3
130029088	Defined_Bond_Stereo_Count	0
97414	Molecular_Weight	227.29
6392641	Non-hydrogen_Atom_Count	48
39421	Undefined_Atom_Stereo_Count	10
6433272	Covalent_Unit_Count	1
155465	Undefined_Bond_Stereo_Count	0
15150444	Undefined_Bond_Stereo_Count	0
975	Hydrogen_Bond_Acceptor_Count	16
1781	Hydrogen_Bond_Acceptor_Count	2
86183	TPSA	54.1
145640699	Hydrogen_Bond_Acceptor_Count	2
12394844	Defined_Bond_Stereo_Count	0
440122	TPSA	247
87979966	Hydrogen_Bond_Acceptor_Count	3
2375	Isotope_Atom_Count	0
5374527	Hydrogen_Bond_Acceptor_Count	1
140152869	Rotatable_Bond_Count	2
16211214	Defined_Bond_Stereo_Count	0
9929785	TPSA	78.4
6683	TPSA	94.8
20658615	Undefined_Atom_Stereo_Count	0
7746	Rotatable_Bond_Count	2
23087774	Undefined_Bond_Stereo_Count	0
6433118	Isotope_Atom_Count	0
5282768	Hydrogen_Bond_Acceptor_Count	2
9808	Covalent_Unit_Count	1
9803225	Hydrogen_Bond_Donor_Count	2
3823887	Structure_Complexity	1700
529266	Defined_Bond_Stereo_Count	0
141103237	Non-hydrogen_Atom_Count	8
5321318	Hydrogen_Bond_Donor_Count	1
80971	Exact_Mass	173.047678466
154517172	XLogP3-AA	1
6450232	Molecular_Weight	373.4
102592515	Rotatable_Bond_Count	0
10899025	Isotope_Atom_Count	0
87468088	Defined_Atom_Stereo_Count	0
66634681	Rotatable_Bond_Count	1
156599213	Covalent_Unit_Count	1
44407558	Exact_Mass	289.04558772
9568700	Molecular_Weight	206.27
51579	Defined_Atom_Stereo_Count	0
155810229	Defined_Bond_Stereo_Count	0
12677196	TPSA	9.2
20710	Molecular_Weight	305.4
23385063	Total_Formal_Charge	0
449381	Tautomer_Count	2
81512	Hydrogen_Bond_Acceptor_Count	2
542762	XLogP3-AA	1.3
73216	Isotope_Atom_Count	0
123767	Undefined_Bond_Stereo_Count	0
57029485	XLogP3-AA	1.1
12646624	Non-hydrogen_Atom_Count	6
6540277	Hydrogen_Bond_Acceptor_Count	5
1130	Mono_Isotopic_Weight	265.11230735
667449	Molecular_Weight	324.4
53944814	Mono_Isotopic_Weight	102.031694049
16090272	Rotatable_Bond_Count	4
12756	Non-hydrogen_Atom_Count	8
8556	Non-hydrogen_Atom_Count	21
11573395	Mono_Isotopic_Weight	325.157897619
101088599	Defined_Bond_Stereo_Count	2
9800555	Defined_Atom_Stereo_Count	0
5357258	Covalent_Unit_Count	1
596336	TPSA	47.6
5362116	Mono_Isotopic_Weight	452.23112213
9180	Hydrogen_Bond_Donor_Count	0
11289630	TPSA	138
59966641	Exact_Mass	416.32904526
12933420	Rotatable_Bond_Count	0
114829	Undefined_Atom_Stereo_Count	0
258030	XLogP3-AA	2
449369	Hydrogen_Bond_Donor_Count	2
50925625	Defined_Atom_Stereo_Count	1
141010	Non-hydrogen_Atom_Count	14
25192277	Hydrogen_Bond_Acceptor_Count	7
440005	Undefined_Bond_Stereo_Count	0
12289749	Defined_Bond_Stereo_Count	0
70981	Isotope_Atom_Count	0
66255	Tautomer_Count	8
53237541	Undefined_Atom_Stereo_Count	1
564654	Defined_Bond_Stereo_Count	0
27422	Structure_Complexity	104
126969097	Undefined_Bond_Stereo_Count	2
708	Molecular_Weight	722.9
16682738	TPSA	52.6
68539	Defined_Atom_Stereo_Count	0
10486805	Molecular_Weight	100.12
5916968	Molecular_Weight	557.6
8861	Molecular_Weight	109.13
517327	Hydrogen_Bond_Acceptor_Count	3
85824359	Structure_Complexity	80
520478	Isotope_Atom_Count	0
85989631	Hydrogen_Bond_Donor_Count	0
24884313	Structure_Complexity	495
1549004	Isotope_Atom_Count	0
59751	Exact_Mass	408.15862589
123336	Structure_Complexity	51.5
102592515	Hydrogen_Bond_Acceptor_Count	2
5287969	Isotope_Atom_Count	0
114811	Defined_Bond_Stereo_Count	0
71362816	Undefined_Atom_Stereo_Count	1
12393928	Hydrogen_Bond_Acceptor_Count	3
77011628	Covalent_Unit_Count	1
107166	Covalent_Unit_Count	1
638019	Undefined_Atom_Stereo_Count	0
19370497	Rotatable_Bond_Count	0
11957491	Total_Formal_Charge	0
91667835	Molecular_Weight	415.6
67749	XLogP3-AA	1.6
153311	Defined_Atom_Stereo_Count	3
6337614	Defined_Atom_Stereo_Count	2
9904	Undefined_Bond_Stereo_Count	0
30668	Structure_Complexity	263
17907809	Total_Formal_Charge	0
58506875	Covalent_Unit_Count	1
10330791	Total_Formal_Charge	0
91362186	Undefined_Bond_Stereo_Count	0
12291	Undefined_Bond_Stereo_Count	0
2849	Rotatable_Bond_Count	11
58087	Covalent_Unit_Count	1
9590	Non-hydrogen_Atom_Count	10
139291703	Undefined_Atom_Stereo_Count	0
6435808	Non-hydrogen_Atom_Count	18
26421	XLogP3-AA	1
14379827	Total_Formal_Charge	0
10582477	Defined_Atom_Stereo_Count	0
9579252	Hydrogen_Bond_Acceptor_Count	6
9863303	Rotatable_Bond_Count	4
3084338	Molecular_Weight	284.4
134689013	Mono_Isotopic_Weight	332.23514488
114359	Hydrogen_Bond_Donor_Count	3
904858	Covalent_Unit_Count	1
23057	Total_Formal_Charge	0
19966	Defined_Bond_Stereo_Count	0
123751374	XLogP3-AA	7.5
87155	Rotatable_Bond_Count	3
25191022	Hydrogen_Bond_Acceptor_Count	10
154825180	Mono_Isotopic_Weight	527.23263824
15370743	Isotope_Atom_Count	0
60196367	Molecular_Weight	453.5
4993	Hydrogen_Bond_Donor_Count	2
8018	Structure_Complexity	16.4
64666310	Rotatable_Bond_Count	3
179336	Defined_Bond_Stereo_Count	0
3341	Covalent_Unit_Count	1
890718	Undefined_Atom_Stereo_Count	0
21932698	Exact_Mass	186.161979940
6438361	Hydrogen_Bond_Donor_Count	2
17345	Undefined_Bond_Stereo_Count	0
19782023	XLogP3-AA	0.2
135542158	Isotope_Atom_Count	0
16564	XLogP3-AA	0.2
2783279	TPSA	12.9
55285816	Rotatable_Bond_Count	1
10355130	Molecular_Weight	257.76
9162	Structure_Complexity	361
11758093	Total_Formal_Charge	0
91185	Defined_Atom_Stereo_Count	0
11502	Undefined_Bond_Stereo_Count	1
6918663	Hydrogen_Bond_Donor_Count	1
68321915	Exact_Mass	336.15862589
200213	Total_Formal_Charge	0
57345768	Molecular_Weight	665.7
66733	Mono_Isotopic_Weight	217.05613515
3081884	Defined_Atom_Stereo_Count	4
66683197	Undefined_Atom_Stereo_Count	1
79510	Undefined_Bond_Stereo_Count	0
23617235	Total_Formal_Charge	1
180559	Non-hydrogen_Atom_Count	19
441350	Rotatable_Bond_Count	3
11263727	Undefined_Bond_Stereo_Count	0
11915	Undefined_Atom_Stereo_Count	0
123178849	Total_Formal_Charge	0
69079	Covalent_Unit_Count	1
2579	Total_Formal_Charge	0
85252	Mono_Isotopic_Weight	160.091956283
44393	Tautomer_Count	1
58714	Exact_Mass	197.116426730
11446361	Hydrogen_Bond_Donor_Count	1
10197646	Covalent_Unit_Count	1
78293	Defined_Atom_Stereo_Count	0
57384040	TPSA	98.4
520217	Defined_Atom_Stereo_Count	0
72165228	Undefined_Bond_Stereo_Count	0
89487	TPSA	20.2
5320867	Exact_Mass	324.183778013
84063983	Hydrogen_Bond_Acceptor_Count	2
85325038	Undefined_Atom_Stereo_Count	2
92041	Hydrogen_Bond_Donor_Count	1
19791624	XLogP3-AA	0.7
4032	Mono_Isotopic_Weight	167.167399674
57417071	TPSA	115
24352	Defined_Atom_Stereo_Count	0
79051	Mono_Isotopic_Weight	116.094963011
12769202	Molecular_Weight	113.11
87112	Exact_Mass	174.031694049
524314	Undefined_Atom_Stereo_Count	0
50922675	Total_Formal_Charge	0
21390696	Mono_Isotopic_Weight	94.016712692
145946920	Molecular_Weight	796.9
22468	TPSA	0
135544142	Structure_Complexity	748
70620	Hydrogen_Bond_Donor_Count	0
8859	Exact_Mass	102.05416083
39709	Mono_Isotopic_Weight	331.12421471
10113	Isotope_Atom_Count	0
11240435	Undefined_Bond_Stereo_Count	0
91248258	Non-hydrogen_Atom_Count	7
57394211	Rotatable_Bond_Count	9
41506	Mono_Isotopic_Weight	346.13805082
14743344	TPSA	51.8
12088	Rotatable_Bond_Count	2
91696	Defined_Bond_Stereo_Count	0
96396	Molecular_Weight	174.24
24453	Covalent_Unit_Count	1
10415	Rotatable_Bond_Count	5
824060	Exact_Mass	267.06194637
3973230	Hydrogen_Bond_Acceptor_Count	2
11722	Structure_Complexity	42.9
3525005	Molecular_Weight	116.11
142773668	Hydrogen_Bond_Donor_Count	1
14020446	Exact_Mass	114.068079557
14866914	Mono_Isotopic_Weight	102.031694049
9010	Non-hydrogen_Atom_Count	19
34457	Hydrogen_Bond_Donor_Count	2
115011065	Isotope_Atom_Count	0
83146	Hydrogen_Bond_Acceptor_Count	2
53800769	Defined_Atom_Stereo_Count	0
673820	Exact_Mass	276.97721
11954310	Structure_Complexity	807
1707	Structure_Complexity	794
57358782	Undefined_Atom_Stereo_Count	0
533427	Total_Formal_Charge	0
67356	Total_Formal_Charge	0
6450830	Total_Formal_Charge	0
20644600	Structure_Complexity	48.1
76621	Mono_Isotopic_Weight	207.0886878
72741573	Defined_Bond_Stereo_Count	0
61179	Molecular_Weight	345.65
91635	Defined_Atom_Stereo_Count	0
27400	Non-hydrogen_Atom_Count	21
117867	Isotope_Atom_Count	0
12933751	Hydrogen_Bond_Donor_Count	0
19596	Hydrogen_Bond_Acceptor_Count	7
518872	Tautomer_Count	1
268	Mono_Isotopic_Weight	1149.35159721
20221840	TPSA	67.8
22341858	Molecular_Weight	86.14
18730058	Covalent_Unit_Count	1
37140	Defined_Atom_Stereo_Count	0
20669981	Exact_Mass	112.100048391
16401027	Non-hydrogen_Atom_Count	20
18445434	Isotope_Atom_Count	0
5280346	Undefined_Atom_Stereo_Count	0
20508	Covalent_Unit_Count	1
69341160	Covalent_Unit_Count	1
6477182	Molecular_Weight	396.4
54766	TPSA	91.3
46943432	XLogP3-AA	2.9
121630	Exact_Mass	99.068413911
6751	XLogP3-AA	3.6
6915744	Total_Formal_Charge	0
23662369	Rotatable_Bond_Count	5
719704	Hydrogen_Bond_Acceptor_Count	3
13387	Covalent_Unit_Count	1
67108207	Non-hydrogen_Atom_Count	21
29778	Hydrogen_Bond_Donor_Count	1
46224600	Isotope_Atom_Count	0
88598	Total_Formal_Charge	0
148191	Defined_Bond_Stereo_Count	0
11346811	Non-hydrogen_Atom_Count	19
8837	Exact_Mass	346.23553880
90818	Isotope_Atom_Count	0
182645	Hydrogen_Bond_Donor_Count	1
17842350	Defined_Atom_Stereo_Count	0
53908	Exact_Mass	308.0903253
126977538	Mono_Isotopic_Weight	112.052429494
3539116	Mono_Isotopic_Weight	140.97752722
21014990	Defined_Bond_Stereo_Count	0
449355	TPSA	102
15480320	Undefined_Bond_Stereo_Count	0
12385939	Non-hydrogen_Atom_Count	8
3038	TPSA	137
3047822	Total_Formal_Charge	0
10454	XLogP3-AA	1.3
53856650	Total_Formal_Charge	0
134834579	Total_Formal_Charge	0
136219153	Molecular_Weight	394.9
5659	Rotatable_Bond_Count	15
32802	Covalent_Unit_Count	1
49867704	Structure_Complexity	163
84215	Defined_Bond_Stereo_Count	0
9942132	Undefined_Atom_Stereo_Count	1
70688569	Structure_Complexity	688
636908	Hydrogen_Bond_Acceptor_Count	9
20605391	Covalent_Unit_Count	1
14970212	Rotatable_Bond_Count	0
69777941	Undefined_Bond_Stereo_Count	0
6360	Tautomer_Count	1
114743	Hydrogen_Bond_Donor_Count	1
54089	Hydrogen_Bond_Acceptor_Count	3
7	Defined_Bond_Stereo_Count	0
22386	Covalent_Unit_Count	1
28697	Tautomer_Count	1
2809	XLogP3	3.3
1505	Rotatable_Bond_Count	2
11271	Covalent_Unit_Count	1
89273	Total_Formal_Charge	0
182139	Structure_Complexity	89.1
25263414	Covalent_Unit_Count	1
22053930	Hydrogen_Bond_Acceptor_Count	2
513917	Undefined_Bond_Stereo_Count	0
129794341	XLogP3-AA	0.1
29131	Undefined_Bond_Stereo_Count	0
44392096	Non-hydrogen_Atom_Count	37
69908	TPSA	17.1
6364548	Total_Formal_Charge	0
2419	TPSA	53.1
96354	Structure_Complexity	249
14954	TPSA	55.4
3865578	Rotatable_Bond_Count	2
53346491	Total_Formal_Charge	0
5362417	Total_Formal_Charge	0
70465919	Rotatable_Bond_Count	0
82746	TPSA	75.8
59202444	Undefined_Bond_Stereo_Count	0
21547708	Defined_Bond_Stereo_Count	0
91572	Hydrogen_Bond_Acceptor_Count	4
3037171	Covalent_Unit_Count	1
66357	Undefined_Atom_Stereo_Count	0
941102	Mono_Isotopic_Weight	332.0927701
16659836	Undefined_Bond_Stereo_Count	0
53924282	Hydrogen_Bond_Acceptor_Count	2
92319	Structure_Complexity	284
46226173	Undefined_Atom_Stereo_Count	0
4659387	Defined_Atom_Stereo_Count	0
18368760	Exact_Mass	116.083729621
86007746	Hydrogen_Bond_Donor_Count	0
58232624	XLogP3-AA	1.6
12201381	Mono_Isotopic_Weight	99.043261792
73415816	Exact_Mass	482.0563357
10322586	Defined_Atom_Stereo_Count	1
13764	Mono_Isotopic_Weight	275.05422040
387447	Tautomer_Count	4
148244549	TPSA	41.8
528403	TPSA	26
71511839	Non-hydrogen_Atom_Count	71
24191118	Total_Formal_Charge	0
3424	Molecular_Weight	303.4
57458911	Non-hydrogen_Atom_Count	17
390658	Isotope_Atom_Count	0
633366	Molecular_Weight	382.2
21285	Mono_Isotopic_Weight	229.0425048
92831	Undefined_Bond_Stereo_Count	0
46885189	XLogP3-AA	3
9877750	Covalent_Unit_Count	1
89800161	Rotatable_Bond_Count	15
3132	Defined_Atom_Stereo_Count	0
83003418	Undefined_Atom_Stereo_Count	0
16685262	Defined_Bond_Stereo_Count	0
132274085	Exact_Mass	834.54530517
790	Structure_Complexity	190
154474669	Non-hydrogen_Atom_Count	7
49806720	Molecular_Weight	482.6
97255	Undefined_Atom_Stereo_Count	0
8427	Non-hydrogen_Atom_Count	14
12004215	Tautomer_Count	1001
134824657	Exact_Mass	529.21726296
24856436	Covalent_Unit_Count	1
4369080	Mono_Isotopic_Weight	427.01960774
36422	Isotope_Atom_Count	0
88705	Covalent_Unit_Count	1
7982	Undefined_Atom_Stereo_Count	0
449123	Molecular_Weight	674.7
6469	Defined_Bond_Stereo_Count	0
22326	XLogP3-AA	1.5
14359030	Molecular_Weight	116.11
11595	Total_Formal_Charge	0
76958	Rotatable_Bond_Count	19
10346039	Defined_Atom_Stereo_Count	7
129396765	TPSA	180
5318998	Covalent_Unit_Count	1
5250834	Defined_Atom_Stereo_Count	0
9821174	Covalent_Unit_Count	1
3497012	Undefined_Atom_Stereo_Count	0
24883735	XLogP3-AA	3.6
88547603	Undefined_Atom_Stereo_Count	2
16091082	Undefined_Atom_Stereo_Count	0
78075	Hydrogen_Bond_Acceptor_Count	7
9340	Undefined_Atom_Stereo_Count	1
122239	Hydrogen_Bond_Donor_Count	1
443100	Isotope_Atom_Count	0
6137	Non-hydrogen_Atom_Count	9
6857536	Hydrogen_Bond_Donor_Count	0
410702	Hydrogen_Bond_Acceptor_Count	2
61111	Exact_Mass	201.9375462
135413538	TPSA	124
5833	Exact_Mass	416.20213067
9823302	Exact_Mass	421.036590
14250	Mono_Isotopic_Weight	335.21876
3033825	Tautomer_Count	9
14205264	Hydrogen_Bond_Acceptor_Count	4
30959	Defined_Atom_Stereo_Count	0
86277	Structure_Complexity	370
13220194	TPSA	83.8
19935381	Molecular_Weight	110.15
5249080	Structure_Complexity	124
89953	TPSA	55.1
94396	Total_Formal_Charge	0
39793	Defined_Bond_Stereo_Count	0
13253262	TPSA	29.6
135540987	Exact_Mass	409.15974809
13922	Hydrogen_Bond_Acceptor_Count	8
131704232	Undefined_Atom_Stereo_Count	1
5487426	Rotatable_Bond_Count	5
535634	XLogP3-AA	0.2
123648	Mono_Isotopic_Weight	198.99392881
443115	Undefined_Atom_Stereo_Count	0
6999115	Undefined_Atom_Stereo_Count	0
14502695	Covalent_Unit_Count	1
44392220	Hydrogen_Bond_Donor_Count	1
44516953	Non-hydrogen_Atom_Count	45
44412343	Structure_Complexity	484
71160	Undefined_Bond_Stereo_Count	0
558102	Mono_Isotopic_Weight	181.885975
143009217	Rotatable_Bond_Count	0
68322079	Molecular_Weight	353.4
36294	Total_Formal_Charge	0
51402807	XLogP3-AA	0.4
20483617	Non-hydrogen_Atom_Count	8
29675	Hydrogen_Bond_Donor_Count	3
10328936	Tautomer_Count	1001
16155604	Defined_Atom_Stereo_Count	19
6232	Defined_Atom_Stereo_Count	0
817	Total_Formal_Charge	0
6918203	Rotatable_Bond_Count	3
1650	Undefined_Atom_Stereo_Count	3
64143	XLogP3-AA	5.7
6850837	Hydrogen_Bond_Donor_Count	2
3032818	XLogP3	3.1
11513733	Molecular_Weight	82.06
3871	Mono_Isotopic_Weight	344.13186158
21997268	Undefined_Bond_Stereo_Count	0
17414	Structure_Complexity	415
87279974	Rotatable_Bond_Count	1
69808	Structure_Complexity	59.1
54064807	TPSA	17.1
24827	TPSA	46.5
6373	Undefined_Bond_Stereo_Count	0
91180913	Covalent_Unit_Count	1
67451737	Defined_Atom_Stereo_Count	0
11517020	Undefined_Bond_Stereo_Count	0
6604816	Defined_Atom_Stereo_Count	12
21998472	Covalent_Unit_Count	1
98162749	Mono_Isotopic_Weight	284.16237386
5354626	Hydrogen_Bond_Acceptor_Count	3
18764599	Exact_Mass	116.083729621
342681	Undefined_Atom_Stereo_Count	0
14119	Defined_Bond_Stereo_Count	0
81466	Total_Formal_Charge	0
11137085	Covalent_Unit_Count	2
59252	Hydrogen_Bond_Donor_Count	2
51346127	Exact_Mass	602.43351033
150762	Undefined_Atom_Stereo_Count	1
17392	Defined_Bond_Stereo_Count	0
130054486	Covalent_Unit_Count	1
16272	Isotope_Atom_Count	0
22082547	Rotatable_Bond_Count	3
71456995	Undefined_Atom_Stereo_Count	0
11006	Undefined_Bond_Stereo_Count	0
631837	Undefined_Bond_Stereo_Count	0
3754	Hydrogen_Bond_Acceptor_Count	5
7757	Structure_Complexity	106
64655	TPSA	86.2
448222	Undefined_Bond_Stereo_Count	0
181511	Isotope_Atom_Count	0
62155	Undefined_Bond_Stereo_Count	2
643835	Exact_Mass	84.093900383
74093	Undefined_Atom_Stereo_Count	0
2317	Undefined_Atom_Stereo_Count	0
10935908	Structure_Complexity	374
12451640	Rotatable_Bond_Count	5
60960	Non-hydrogen_Atom_Count	8
548185	TPSA	55
61029	Defined_Bond_Stereo_Count	0
75064	Mono_Isotopic_Weight	154.02660867
3036443	Undefined_Atom_Stereo_Count	0
76224463	TPSA	65
11535810	Hydrogen_Bond_Acceptor_Count	1
164946793	Rotatable_Bond_Count	24
62705861	Total_Formal_Charge	0
21343689	Hydrogen_Bond_Acceptor_Count	0
1481	Rotatable_Bond_Count	10
21702	Non-hydrogen_Atom_Count	10
107681	Hydrogen_Bond_Acceptor_Count	8
75358112	Mono_Isotopic_Weight	405.25873385
163685	Structure_Complexity	511
6437877	Rotatable_Bond_Count	12
155142	Rotatable_Bond_Count	23
91175918	Structure_Complexity	114
57340467	Defined_Bond_Stereo_Count	0
98218	Defined_Bond_Stereo_Count	0
9554198	Undefined_Atom_Stereo_Count	2
85328	Defined_Bond_Stereo_Count	0
3032396	XLogP3-AA	1.3
10464328	Rotatable_Bond_Count	1
12940550	Tautomer_Count	5
48918	Hydrogen_Bond_Acceptor_Count	3
54597740	Hydrogen_Bond_Donor_Count	3
148475193	Exact_Mass	101.084063974
11672461	Undefined_Atom_Stereo_Count	0
68647	TPSA	39.8
4367	Total_Formal_Charge	0
12353957	Structure_Complexity	84.2
274082	Rotatable_Bond_Count	10
154518019	Exact_Mass	82.053098200
838844	Mono_Isotopic_Weight	237.97418
55281352	Non-hydrogen_Atom_Count	6
66102	Hydrogen_Bond_Acceptor_Count	4
2079	Total_Formal_Charge	0
124224931	XLogP3-AA	2.1
72999858	Non-hydrogen_Atom_Count	33
21884	Isotope_Atom_Count	0
3117357	Defined_Atom_Stereo_Count	0
52934127	Mono_Isotopic_Weight	423.1462027
24742076	TPSA	330
501640	Hydrogen_Bond_Acceptor_Count	5
29756	Hydrogen_Bond_Acceptor_Count	4
5772	Non-hydrogen_Atom_Count	73
25799416	Defined_Bond_Stereo_Count	0
9236	Isotope_Atom_Count	0
47824	Defined_Atom_Stereo_Count	0
18622350	TPSA	35.3
71140	Non-hydrogen_Atom_Count	18
121493082	Hydrogen_Bond_Donor_Count	47
3016390	Defined_Bond_Stereo_Count	0
1005	Molecular_Weight	168.04
129812487	Defined_Bond_Stereo_Count	0
9508	Undefined_Bond_Stereo_Count	0
84788	Total_Formal_Charge	0
11673148	Total_Formal_Charge	0
12659781	Exact_Mass	84.057514874
11210173	Structure_Complexity	449
91884833	Structure_Complexity	688
46891563	Covalent_Unit_Count	1
6410758	Molecular_Weight	462.5
9796440	Hydrogen_Bond_Acceptor_Count	5
1232	Defined_Bond_Stereo_Count	0
6349	Mono_Isotopic_Weight	117.92685
87886	Undefined_Atom_Stereo_Count	1
68321815	Isotope_Atom_Count	0
170317	Mono_Isotopic_Weight	349.1000197
485092	Non-hydrogen_Atom_Count	7
5245480	Undefined_Bond_Stereo_Count	0
9872438	Hydrogen_Bond_Acceptor_Count	9
5002	Hydrogen_Bond_Acceptor_Count	5
5710148	Total_Formal_Charge	0
38982	Tautomer_Count	1
3037886	XLogP3	1.8
19078026	Hydrogen_Bond_Donor_Count	0
71727581	Hydrogen_Bond_Donor_Count	2
979	Undefined_Atom_Stereo_Count	0
85364156	Non-hydrogen_Atom_Count	57
134688323	Hydrogen_Bond_Acceptor_Count	5
84253	Undefined_Atom_Stereo_Count	0
69507	Non-hydrogen_Atom_Count	16
178103	Total_Formal_Charge	0
36690486	XLogP3	4.6
16638	Defined_Atom_Stereo_Count	0
57396593	TPSA	78.7
44644	Undefined_Bond_Stereo_Count	0
7222	TPSA	41.1
20465	Covalent_Unit_Count	1
5271565	Mono_Isotopic_Weight	144.04225873
9160	Hydrogen_Bond_Donor_Count	1
5288672	Rotatable_Bond_Count	6
26350	Undefined_Bond_Stereo_Count	0
54338696	Mono_Isotopic_Weight	90.0469501914
56679001	Hydrogen_Bond_Acceptor_Count	6
85821	Mono_Isotopic_Weight	296.225248902
457825	Mono_Isotopic_Weight	622.30428706
129696925	Covalent_Unit_Count	2
10499446	Non-hydrogen_Atom_Count	28
25127621	Defined_Bond_Stereo_Count	0
107214	TPSA	35.5
76949	Hydrogen_Bond_Donor_Count	0
12962854	Isotope_Atom_Count	0
67518639	Hydrogen_Bond_Donor_Count	5
2735142	Covalent_Unit_Count	2
53394675	Hydrogen_Bond_Donor_Count	1
33606	XLogP3	3.4
643544	Exact_Mass	203.192862891
23675258	Covalent_Unit_Count	2
44154493	Total_Formal_Charge	0
731361	Mono_Isotopic_Weight	315.14053348
1929	Isotope_Atom_Count	0
5460504	Undefined_Bond_Stereo_Count	0
11006945	Defined_Bond_Stereo_Count	0
44348	Rotatable_Bond_Count	1
89332529	Hydrogen_Bond_Acceptor_Count	6
153929434	Mono_Isotopic_Weight	98.036779430
71112644	Undefined_Bond_Stereo_Count	0
58746	Mono_Isotopic_Weight	413.19294
83803459	Hydrogen_Bond_Donor_Count	1
706	Hydrogen_Bond_Acceptor_Count	7
4724	Molecular_Weight	291.4
53323739	Hydrogen_Bond_Acceptor_Count	4
63996	Covalent_Unit_Count	1
3527278	Undefined_Atom_Stereo_Count	0
30951	XLogP3	2.5
5311426	Defined_Atom_Stereo_Count	0
6433520	Structure_Complexity	385
134497943	Isotope_Atom_Count	0
24228	Exact_Mass	289.07389321
69341468	Undefined_Bond_Stereo_Count	0
49769064	Defined_Atom_Stereo_Count	10
12609623	Defined_Bond_Stereo_Count	0
14989	Mono_Isotopic_Weight	418.12638228
164700	TPSA	32.3
12242	Isotope_Atom_Count	0
54006055	Exact_Mass	243.162314293
5352833	Non-hydrogen_Atom_Count	8
21356643	Non-hydrogen_Atom_Count	32
9971	Mono_Isotopic_Weight	155.03825660
42301	Undefined_Bond_Stereo_Count	0
17480032	Undefined_Atom_Stereo_Count	0
61014	Hydrogen_Bond_Donor_Count	0
79571	Exact_Mass	141.078978594
10613	Mono_Isotopic_Weight	200.00693585
65188	Defined_Atom_Stereo_Count	0
16049024	Rotatable_Bond_Count	13
736530	Hydrogen_Bond_Donor_Count	0
13415147	Mono_Isotopic_Weight	118.074227566
107250	Hydrogen_Bond_Acceptor_Count	3
122411051	Rotatable_Bond_Count	12
17531	Exact_Mass	345.03707073
2973198	Isotope_Atom_Count	0
90165975	Undefined_Bond_Stereo_Count	0
819440	Defined_Bond_Stereo_Count	0
24848271	Molecular_Weight	256.36
142559332	Undefined_Atom_Stereo_Count	0
57066209	Non-hydrogen_Atom_Count	8
74431	Exact_Mass	269.177964357
11234049	Undefined_Atom_Stereo_Count	0
398641	XLogP3-AA	2.2
2737136	Hydrogen_Bond_Acceptor_Count	7
71680844	Undefined_Atom_Stereo_Count	1
87919798	XLogP3-AA	0.3
26041	Exact_Mass	315.931862
18100	Total_Formal_Charge	0
116814	Total_Formal_Charge	0
75690	Defined_Bond_Stereo_Count	0
114681	Structure_Complexity	105
2817	Mono_Isotopic_Weight	179.0137915
2062	Structure_Complexity	621
73005	Undefined_Atom_Stereo_Count	1
12255141	Rotatable_Bond_Count	0
274667	Structure_Complexity	362
12003287	Molecular_Weight	180.16
73759969	Non-hydrogen_Atom_Count	67
49862460	Isotope_Atom_Count	0
104870	Mono_Isotopic_Weight	281.0520241
14925	Structure_Complexity	192
18050	Structure_Complexity	62.7
70684	Rotatable_Bond_Count	2
8172	Exact_Mass	150.08920892
53724680	Mono_Isotopic_Weight	99.104799419
133620	TPSA	78.8
21201338	Defined_Bond_Stereo_Count	0
13538284	Mono_Isotopic_Weight	98.059246208
22344257	XLogP3-AA	0.4
57417230	Non-hydrogen_Atom_Count	85
6457	Mono_Isotopic_Weight	260.120115130
83079	Covalent_Unit_Count	1
89735852	Defined_Atom_Stereo_Count	6
53477715	Mono_Isotopic_Weight	639.00812033
44144517	Defined_Atom_Stereo_Count	1
75923	TPSA	0
138041	Defined_Bond_Stereo_Count	0
11240424	Undefined_Bond_Stereo_Count	0
7875	Tautomer_Count	1
115011049	Defined_Bond_Stereo_Count	0
3855171	Covalent_Unit_Count	1
69215	Isotope_Atom_Count	0
92838	Molecular_Weight	132.16
638105	Undefined_Bond_Stereo_Count	0
6431771	Hydrogen_Bond_Donor_Count	3
69430	Undefined_Atom_Stereo_Count	0
164946899	Hydrogen_Bond_Donor_Count	3
93189	Mono_Isotopic_Weight	178.135765193
120393	Exact_Mass	280.0866221
19935256	TPSA	78.1
53435617	Undefined_Atom_Stereo_Count	0
2818146	Defined_Bond_Stereo_Count	0
21958	Hydrogen_Bond_Donor_Count	0
6674	Mono_Isotopic_Weight	402.24062418
20259185	Non-hydrogen_Atom_Count	8
136430	Defined_Atom_Stereo_Count	0
31227	Structure_Complexity	114
53757199	Covalent_Unit_Count	1
57286	Molecular_Weight	328.9
87064	Exact_Mass	195.162314293
65958	Undefined_Bond_Stereo_Count	0
3376	Defined_Atom_Stereo_Count	0
441207	Isotope_Atom_Count	0
91751	Defined_Bond_Stereo_Count	0
39379	Covalent_Unit_Count	2
11363	Total_Formal_Charge	0
24853	Defined_Atom_Stereo_Count	0
46212	Structure_Complexity	523
71357579	Undefined_Atom_Stereo_Count	0
135430308	Defined_Atom_Stereo_Count	0
57659	Mono_Isotopic_Weight	311.199762429
21417244	Undefined_Bond_Stereo_Count	0
98790	Defined_Atom_Stereo_Count	0
12754038	Structure_Complexity	111
65836	Defined_Bond_Stereo_Count	0
482	Defined_Bond_Stereo_Count	0
65376195	Hydrogen_Bond_Donor_Count	0
79632	Non-hydrogen_Atom_Count	47
3642	Hydrogen_Bond_Acceptor_Count	6
3053755	Hydrogen_Bond_Acceptor_Count	3
67978393	Isotope_Atom_Count	0
520326	Rotatable_Bond_Count	6
176077	Non-hydrogen_Atom_Count	11
68396089	Exact_Mass	114.104465066
7711	Rotatable_Bond_Count	4
73353577	Exact_Mass	358.0655100
129146	Undefined_Bond_Stereo_Count	0
5282387	Molecular_Weight	370.59
53632493	Mono_Isotopic_Weight	100.052429494
92135969	Molecular_Weight	555.7
4761	Isotope_Atom_Count	0
5462328	Covalent_Unit_Count	1
543565	Undefined_Bond_Stereo_Count	0
6324	Undefined_Bond_Stereo_Count	0
3433	Molecular_Weight	260.25
68903	TPSA	49.4
12596294	Hydrogen_Bond_Acceptor_Count	2
6398969	Hydrogen_Bond_Donor_Count	1
23090352	Total_Formal_Charge	0
139061453	Isotope_Atom_Count	0
454155	XLogP3-AA	6.1
10345790	Molecular_Weight	498.3
32594	Structure_Complexity	128
4678317	Undefined_Atom_Stereo_Count	0
88861581	Exact_Mass	110.073164938
5353510	Non-hydrogen_Atom_Count	25
10331863	Exact_Mass	240.10627659
6918149	Structure_Complexity	543
71117	Isotope_Atom_Count	0
88520001	XLogP3-AA	5.1
132940892	Rotatable_Bond_Count	10
75846	Undefined_Bond_Stereo_Count	0
664136	Hydrogen_Bond_Acceptor_Count	5
441407	Molecular_Weight	442.4
9238	Exact_Mass	136.125200510
44422	Defined_Atom_Stereo_Count	0
139591683	XLogP3-AA	7.3
5394	Tautomer_Count	2
3097	Rotatable_Bond_Count	3
142798	Mono_Isotopic_Weight	108.093900383
9547	Mono_Isotopic_Weight	174.141993387
543995	Non-hydrogen_Atom_Count	8
362828	Isotope_Atom_Count	0
637932	Exact_Mass	84.05512859
105766824	Hydrogen_Bond_Acceptor_Count	1
21870	Hydrogen_Bond_Acceptor_Count	2
7287	Defined_Bond_Stereo_Count	0
68260574	Total_Formal_Charge	0
13548212	XLogP3-AA	0.6
55423	Undefined_Atom_Stereo_Count	0
11477442	Tautomer_Count	1
12771867	Defined_Bond_Stereo_Count	0
57079767	Total_Formal_Charge	0
637517	Non-hydrogen_Atom_Count	20
549405	Defined_Atom_Stereo_Count	0
123664524	Defined_Atom_Stereo_Count	0
5283361	Total_Formal_Charge	0
125409	Defined_Atom_Stereo_Count	4
11159621	Tautomer_Count	23
21493122	Non-hydrogen_Atom_Count	7
12787245	Non-hydrogen_Atom_Count	7
129831062	Undefined_Bond_Stereo_Count	2
56622517	Molecular_Weight	116.16
22153558	Mono_Isotopic_Weight	85.089149355
101684738	Covalent_Unit_Count	1
60155459	XLogP3-AA	1.9
10364	Covalent_Unit_Count	1
24813	Defined_Atom_Stereo_Count	0
5460853	Mono_Isotopic_Weight	203.082052598
5479	Undefined_Bond_Stereo_Count	0
59002381	Defined_Bond_Stereo_Count	0
18755331	Rotatable_Bond_Count	1
13168503	Exact_Mass	123.99254563
122197250	Exact_Mass	447.26929854
57992058	Defined_Bond_Stereo_Count	0
170327	TPSA	28.2
4145994	Exact_Mass	340.03813897
124316	Defined_Bond_Stereo_Count	0
20872204	TPSA	51.6
4363644	Isotope_Atom_Count	0
8304	Undefined_Atom_Stereo_Count	0
16124688	Structure_Complexity	705
72015	Undefined_Atom_Stereo_Count	0
91589206	Covalent_Unit_Count	1
192627	Molecular_Weight	289.33
14796866	Defined_Atom_Stereo_Count	0
69671	Rotatable_Bond_Count	0
96490	Defined_Bond_Stereo_Count	0
8005	Undefined_Atom_Stereo_Count	0
13813927	Undefined_Atom_Stereo_Count	0
66156	Tautomer_Count	1
54686188	Molecular_Weight	805.9
135019886	Hydrogen_Bond_Donor_Count	8
9176	Exact_Mass	278.109550447
71401	Covalent_Unit_Count	2
852	Covalent_Unit_Count	1
76687	Rotatable_Bond_Count	5
101074209	Undefined_Atom_Stereo_Count	2
64017	Defined_Atom_Stereo_Count	0
16399351	Hydrogen_Bond_Donor_Count	1
623849	Exact_Mass	290.130679813
22041940	Defined_Atom_Stereo_Count	0
736366	Defined_Bond_Stereo_Count	0
5283740	Structure_Complexity	688
145754	Hydrogen_Bond_Donor_Count	3
3321360	Rotatable_Bond_Count	0
57395973	Covalent_Unit_Count	1
123658	Covalent_Unit_Count	1
22123474	Undefined_Atom_Stereo_Count	1
71676045	Molecular_Weight	390.4
11632113	TPSA	111
20190	Structure_Complexity	273
5459213	Defined_Atom_Stereo_Count	3
57174138	XLogP3-AA	0.2
15133384	Non-hydrogen_Atom_Count	31
5206	Defined_Bond_Stereo_Count	0
127736	Hydrogen_Bond_Acceptor_Count	6
3318739	XLogP3-AA	7.9
14147082	Non-hydrogen_Atom_Count	8
21637995	Undefined_Bond_Stereo_Count	0
60165657	Non-hydrogen_Atom_Count	25
88771736	Rotatable_Bond_Count	1
68097	Hydrogen_Bond_Donor_Count	2
125027416	Rotatable_Bond_Count	3
5473268	Defined_Bond_Stereo_Count	1
73166591	Structure_Complexity	64.6
36274	Defined_Atom_Stereo_Count	0
2724103	Structure_Complexity	112
59295926	TPSA	87.6
66602237	Isotope_Atom_Count	0
12201511	Non-hydrogen_Atom_Count	8
687818	Rotatable_Bond_Count	5
15533	Isotope_Atom_Count	0
6080476	Structure_Complexity	528
439791	Molecular_Weight	102.18
129849	XLogP3-AA	11.6
12623599	Rotatable_Bond_Count	1
13373005	Tautomer_Count	1
15709803	Covalent_Unit_Count	1
2777165	XLogP3-AA	0.5
11833	Defined_Atom_Stereo_Count	0
18459757	Undefined_Bond_Stereo_Count	0
444863	Defined_Bond_Stereo_Count	0
54676038	Exact_Mass	336.06338810
12285878	Tautomer_Count	1
16755636	Exact_Mass	63.998055901
80779	TPSA	64.4
23427989	XLogP3-AA	9.1
52944421	Non-hydrogen_Atom_Count	29
11502243	Exact_Mass	401.0877226
16211417	Hydrogen_Bond_Donor_Count	0
21668201	Mono_Isotopic_Weight	299.07700353
49868036	Hydrogen_Bond_Acceptor_Count	21
12340	Tautomer_Count	1
118916	TPSA	127
5311309	Exact_Mass	317.19909372
5702077	Covalent_Unit_Count	1
8752	Mono_Isotopic_Weight	396.0701697
50385	Hydrogen_Bond_Acceptor_Count	5
286157	Non-hydrogen_Atom_Count	19
15951485	XLogP3-AA	3.4
1669	Mono_Isotopic_Weight	167.094628657
66559276	Isotope_Atom_Count	0
136266076	Hydrogen_Bond_Acceptor_Count	4
5102882	Rotatable_Bond_Count	1
2723951	Undefined_Bond_Stereo_Count	0
5489029	Isotope_Atom_Count	0
656506	Molecular_Weight	448.5
5353607	Hydrogen_Bond_Acceptor_Count	6
71950363	Undefined_Atom_Stereo_Count	0
71309905	Hydrogen_Bond_Donor_Count	5
17882607	Hydrogen_Bond_Donor_Count	0
16132443	Rotatable_Bond_Count	41
1459	Hydrogen_Bond_Donor_Count	4
54022694	Undefined_Atom_Stereo_Count	1
18720	Hydrogen_Bond_Donor_Count	0
123642	Isotope_Atom_Count	0
62066	Covalent_Unit_Count	2
139084136	Total_Formal_Charge	0
443314	Molecular_Weight	522.7
76013	Structure_Complexity	412
24556	Molecular_Weight	104.079
136393889	Mono_Isotopic_Weight	110.02286070
54692950	Exact_Mass	514.20636393
351	Molecular_Weight	483.5
23519852	Exact_Mass	366.06204624
5324584	Defined_Atom_Stereo_Count	0
46078	Covalent_Unit_Count	1
446871	Exact_Mass	466.01407238
149164152	Isotope_Atom_Count	0
70693583	Hydrogen_Bond_Donor_Count	1
25070195	TPSA	67.9
129009927	Covalent_Unit_Count	1
51038316	Defined_Bond_Stereo_Count	1
17356	Covalent_Unit_Count	1
22563957	Mono_Isotopic_Weight	114.104465066
8489	Total_Formal_Charge	0
159283	Isotope_Atom_Count	0
6273	Defined_Bond_Stereo_Count	0
96421	Total_Formal_Charge	0
66663	Hydrogen_Bond_Donor_Count	0
9786	Structure_Complexity	240
5289419	Defined_Atom_Stereo_Count	0
4714	Undefined_Bond_Stereo_Count	2
7635	XLogP3-AA	3.2
11388	Total_Formal_Charge	0
21680715	Defined_Atom_Stereo_Count	4
123413	Defined_Bond_Stereo_Count	0
15529	XLogP3	3.7
69985	Hydrogen_Bond_Acceptor_Count	3
803776	Rotatable_Bond_Count	4
24066917	Exact_Mass	223.157228913
36392	XLogP3	5
20039	Mono_Isotopic_Weight	235.10692467
3763454	Undefined_Atom_Stereo_Count	1
129796414	Hydrogen_Bond_Donor_Count	0
21786	Defined_Atom_Stereo_Count	0
176155	Exact_Mass	377.09981148
8217	Defined_Bond_Stereo_Count	0
73415798	Hydrogen_Bond_Donor_Count	9
6627	Undefined_Atom_Stereo_Count	0
53483390	Non-hydrogen_Atom_Count	37
91148	Isotope_Atom_Count	0
5362123	Structure_Complexity	619
132327702	Undefined_Bond_Stereo_Count	0
10034991	Total_Formal_Charge	0
71301229	Undefined_Bond_Stereo_Count	0
64964	Mono_Isotopic_Weight	200.20009678
3032818	Covalent_Unit_Count	1
9958278	XLogP3-AA	5.4
10076625	Hydrogen_Bond_Donor_Count	2
3727	Hydrogen_Bond_Donor_Count	1
79846	Hydrogen_Bond_Acceptor_Count	3
284161	Hydrogen_Bond_Donor_Count	2
67277	Structure_Complexity	450
6140	Non-hydrogen_Atom_Count	12
134688474	Defined_Bond_Stereo_Count	0
148335	Molecular_Weight	259.10
9142	Total_Formal_Charge	0
3219	Undefined_Bond_Stereo_Count	0
3017295	Structure_Complexity	110
3000226	Total_Formal_Charge	0
5321950	Hydrogen_Bond_Donor_Count	0
199758	Non-hydrogen_Atom_Count	23
26923	Rotatable_Bond_Count	3
16775060	Non-hydrogen_Atom_Count	7
18381562	TPSA	53.6
66204	Mono_Isotopic_Weight	246.81429
888374	XLogP3-AA	2.3
11778544	Undefined_Atom_Stereo_Count	0
12052005	Covalent_Unit_Count	1
87279974	Structure_Complexity	96
69674285	Hydrogen_Bond_Acceptor_Count	1
21718085	Exact_Mass	94.078250319
68396089	Non-hydrogen_Atom_Count	8
12312963	Total_Formal_Charge	0
44571147	Isotope_Atom_Count	0
6051	Undefined_Atom_Stereo_Count	0
123628	Undefined_Atom_Stereo_Count	0
50901	Total_Formal_Charge	0
5324054	Total_Formal_Charge	0
12214112	Undefined_Bond_Stereo_Count	0
22052726	Exact_Mass	114.068079557
140765	Defined_Atom_Stereo_Count	0
21886	Hydrogen_Bond_Acceptor_Count	2
70447162	Structure_Complexity	90.4
69674281	Structure_Complexity	112
7525	Tautomer_Count	1
131698851	Covalent_Unit_Count	1
5488548	Hydrogen_Bond_Acceptor_Count	5
21349800	Defined_Bond_Stereo_Count	0
15439201	Undefined_Atom_Stereo_Count	1
3000668	Undefined_Atom_Stereo_Count	1
3392711	Isotope_Atom_Count	0
129628904	Defined_Bond_Stereo_Count	0
66749731	Undefined_Bond_Stereo_Count	0
4262071	TPSA	66.8
62155	Hydrogen_Bond_Acceptor_Count	9
36283	Hydrogen_Bond_Acceptor_Count	4
70362185	Exact_Mass	97.052763847
18530292	Undefined_Bond_Stereo_Count	0
137808	Hydrogen_Bond_Acceptor_Count	1
62414	Hydrogen_Bond_Acceptor_Count	6
24860518	Covalent_Unit_Count	1
10308	Covalent_Unit_Count	1
56654130	Non-hydrogen_Atom_Count	36
11815284	Structure_Complexity	23.5
120096	Isotope_Atom_Count	0
6175	Isotope_Atom_Count	0
435360	Rotatable_Bond_Count	1
143286	Undefined_Bond_Stereo_Count	0
214321	Total_Formal_Charge	0
138402871	Non-hydrogen_Atom_Count	58
15981237	Mono_Isotopic_Weight	434.0297083
34769	XLogP3-AA	0.5
117683867	Hydrogen_Bond_Donor_Count	11
60196335	Undefined_Bond_Stereo_Count	0
6739	Non-hydrogen_Atom_Count	11
121026	TPSA	55.1
6161	Undefined_Atom_Stereo_Count	0
56658717	Total_Formal_Charge	0
71737801	Undefined_Bond_Stereo_Count	0
3002335	Defined_Atom_Stereo_Count	0
4357	Structure_Complexity	246
153380590	Mono_Isotopic_Weight	115.099714038
137530132	Undefined_Bond_Stereo_Count	0
54585641	Undefined_Atom_Stereo_Count	0
6537488	Molecular_Weight	199.16
429571	Hydrogen_Bond_Acceptor_Count	4
21692	TPSA	56.3
565472	Non-hydrogen_Atom_Count	11
90943273	Exact_Mass	110.036779430
12206	Hydrogen_Bond_Donor_Count	0
403646	Rotatable_Bond_Count	2
122877	TPSA	138
71555	Undefined_Bond_Stereo_Count	0
6992027	Hydrogen_Bond_Acceptor_Count	7
22525422	XLogP3	3.1
4323059	Molecular_Weight	138.14
57485872	Defined_Atom_Stereo_Count	0
23896	Defined_Bond_Stereo_Count	0
29629	Isotope_Atom_Count	0
101988841	Non-hydrogen_Atom_Count	1
6918562	TPSA	358
9989226	Defined_Atom_Stereo_Count	0
917192	Covalent_Unit_Count	1
60196331	Undefined_Atom_Stereo_Count	0
20561708	Non-hydrogen_Atom_Count	7
58044734	Covalent_Unit_Count	1
56704	Structure_Complexity	410
188219	Molecular_Weight	611.5
61523	Molecular_Weight	164.24
129428745	Molecular_Weight	480.7
4068	Exact_Mass	706.84518
6347538	Defined_Atom_Stereo_Count	2
3829279	Covalent_Unit_Count	1
129634850	Non-hydrogen_Atom_Count	7
21917310	Undefined_Bond_Stereo_Count	0
19427	Undefined_Bond_Stereo_Count	0
22408669	Hydrogen_Bond_Donor_Count	2
16066663	Covalent_Unit_Count	1
387	Covalent_Unit_Count	1
64617	Undefined_Bond_Stereo_Count	0
443376	Structure_Complexity	2330
13610	Tautomer_Count	1
76321	Rotatable_Bond_Count	2
7336	Total_Formal_Charge	0
3827	Isotope_Atom_Count	0
63958	Defined_Bond_Stereo_Count	0
31193	Molecular_Weight	112.41
135925740	Defined_Bond_Stereo_Count	3
25185	Molecular_Weight	168.28
21929	Total_Formal_Charge	0
103015	Exact_Mass	302.17293854
76189844	Structure_Complexity	724
59059038	Defined_Bond_Stereo_Count	0
23724526	TPSA	46.5
101047267	Structure_Complexity	386
68321898	Defined_Bond_Stereo_Count	0
5246258	Rotatable_Bond_Count	1
14892	TPSA	40
2375	Defined_Atom_Stereo_Count	0
16987	Total_Formal_Charge	0
56962215	Hydrogen_Bond_Donor_Count	1
123753428	Non-hydrogen_Atom_Count	8
4745	XLogP3-AA	4.2
12305037	Defined_Atom_Stereo_Count	1
5156	Undefined_Bond_Stereo_Count	0
71795	Defined_Atom_Stereo_Count	2
91984	Undefined_Atom_Stereo_Count	0
24848367	Hydrogen_Bond_Acceptor_Count	3
34692	Defined_Bond_Stereo_Count	0
78438	Undefined_Atom_Stereo_Count	0
12656145	XLogP3-AA	2
21900379	Defined_Bond_Stereo_Count	0
57395974	Undefined_Bond_Stereo_Count	0
57681561	Mono_Isotopic_Weight	393.21781779
180504	Rotatable_Bond_Count	0
9949802	Exact_Mass	339.27734404
63656079	Undefined_Bond_Stereo_Count	0
22641151	Mono_Isotopic_Weight	170.0862282
696858	Hydrogen_Bond_Donor_Count	2
13871	Undefined_Bond_Stereo_Count	0
7043900	Covalent_Unit_Count	1
13693091	Exact_Mass	112.088815002
5054	Exact_Mass	110.036779430
3731	Defined_Bond_Stereo_Count	0
4247	Isotope_Atom_Count	0
17671	Structure_Complexity	206
16129688	Isotope_Atom_Count	0
6414	Undefined_Atom_Stereo_Count	0
19938019	Undefined_Bond_Stereo_Count	0
145068	Hydrogen_Bond_Donor_Count	0
20439251	Undefined_Atom_Stereo_Count	1
2465	Non-hydrogen_Atom_Count	23
135409409	Covalent_Unit_Count	1
16120	Covalent_Unit_Count	1
6340	Covalent_Unit_Count	1
20054848	Isotope_Atom_Count	0
47198	Tautomer_Count	3
12538241	Hydrogen_Bond_Acceptor_Count	3
703047	Undefined_Atom_Stereo_Count	0
44370729	Structure_Complexity	344
54686183	Mono_Isotopic_Weight	1024.3123164
446320	Tautomer_Count	3
85576	Total_Formal_Charge	0
52946966	Defined_Bond_Stereo_Count	0
22834549	Hydrogen_Bond_Donor_Count	49
21496049	Covalent_Unit_Count	1
50225	Undefined_Bond_Stereo_Count	0
681110	Covalent_Unit_Count	1
75243795	XLogP3-AA	3.1
65731	Undefined_Bond_Stereo_Count	0
129711468	Undefined_Atom_Stereo_Count	1
10909508	Defined_Bond_Stereo_Count	0
121942	Exact_Mass	356.13186158
627951	Total_Formal_Charge	0
6537504	Hydrogen_Bond_Acceptor_Count	18
21584531	Non-hydrogen_Atom_Count	5
9806190	Covalent_Unit_Count	1
444022	Total_Formal_Charge	0
18757800	Defined_Bond_Stereo_Count	0
10346870	Molecular_Weight	529.5
3763	Exact_Mass	183.9714332
16600	Total_Formal_Charge	0
6866	Hydrogen_Bond_Donor_Count	0
65522	Molecular_Weight	163.99
13112619	TPSA	12
15442	Covalent_Unit_Count	1
52949373	Hydrogen_Bond_Acceptor_Count	8
135423792	Defined_Bond_Stereo_Count	0
70544	Non-hydrogen_Atom_Count	14
133914	Rotatable_Bond_Count	27
11957593	Defined_Atom_Stereo_Count	0
31677	Covalent_Unit_Count	1
6328200	Hydrogen_Bond_Donor_Count	0
21322	Undefined_Bond_Stereo_Count	0
118969738	Mono_Isotopic_Weight	113.03892530
81923	Exact_Mass	128.083729621
16133892	Covalent_Unit_Count	1
11457675	Defined_Atom_Stereo_Count	0
16748289	Molecular_Weight	318.3
1815	Mono_Isotopic_Weight	417.07372967
9988	Covalent_Unit_Count	1
70637	Total_Formal_Charge	0
23642275	Molecular_Weight	283.4
14233	Rotatable_Bond_Count	1
160332	Defined_Atom_Stereo_Count	0
665263	Rotatable_Bond_Count	5
6990	Structure_Complexity	155
5702541	Defined_Bond_Stereo_Count	1
567118	Mono_Isotopic_Weight	99.043261792
4248	Defined_Bond_Stereo_Count	0
16949	Undefined_Atom_Stereo_Count	6
13400658	Defined_Atom_Stereo_Count	0
77328	Undefined_Bond_Stereo_Count	0
667483	Hydrogen_Bond_Acceptor_Count	3
101375997	Structure_Complexity	1840
135492	Undefined_Bond_Stereo_Count	0
715287	Exact_Mass	303.11538136
54682469	TPSA	182
54066	Mono_Isotopic_Weight	250.168127949
1098	Non-hydrogen_Atom_Count	62
70103	Total_Formal_Charge	0
12066842	Molecular_Weight	98.15
122197581	Covalent_Unit_Count	1
57057513	Mono_Isotopic_Weight	112.052429494
143392159	Mono_Isotopic_Weight	112.052429494
9784	Hydrogen_Bond_Donor_Count	2
93079	Hydrogen_Bond_Donor_Count	0
130126869	Undefined_Bond_Stereo_Count	0
85939	Defined_Bond_Stereo_Count	0
44338785	Structure_Complexity	897
25526	Rotatable_Bond_Count	9
6439276	Exact_Mass	546.22134529
75472	Molecular_Weight	171.28
6407	Hydrogen_Bond_Donor_Count	0
22676885	Hydrogen_Bond_Acceptor_Count	2
5032	Rotatable_Bond_Count	3
868031	Covalent_Unit_Count	1
11554216	Hydrogen_Bond_Acceptor_Count	5
75311	Tautomer_Count	1
11704101	Mono_Isotopic_Weight	403.16443955
448025	Covalent_Unit_Count	1
11126175	Structure_Complexity	93.8
129859529	XLogP3-AA	0
56672298	Total_Formal_Charge	0
68294	Defined_Bond_Stereo_Count	0
11328	Structure_Complexity	150
2402	Molecular_Weight	453.5
21922278	Undefined_Atom_Stereo_Count	0
12653319	Molecular_Weight	117.15
66840	Hydrogen_Bond_Acceptor_Count	3
25163980	Defined_Atom_Stereo_Count	4
2723772	Structure_Complexity	119
24916941	Undefined_Bond_Stereo_Count	0
18218196	Covalent_Unit_Count	1
8901	Mono_Isotopic_Weight	96.057514874
91021644	Structure_Complexity	149
118689593	Structure_Complexity	1220
6998296	Exact_Mass	146.08171824
33191	Hydrogen_Bond_Acceptor_Count	1
104775	Undefined_Bond_Stereo_Count	0
657238	Exact_Mass	402.20423867
94335	Undefined_Atom_Stereo_Count	1
23677974	Non-hydrogen_Atom_Count	21
5369162	Total_Formal_Charge	0
135399833	Hydrogen_Bond_Donor_Count	7
83822	Isotope_Atom_Count	0
14462	Covalent_Unit_Count	1
9939298	Undefined_Atom_Stereo_Count	0
129689385	Total_Formal_Charge	0
131	Rotatable_Bond_Count	8
4294	Hydrogen_Bond_Donor_Count	4
118052396	Total_Formal_Charge	0
163050681	Total_Formal_Charge	0
135749823	TPSA	250
36906	Total_Formal_Charge	0
158782	Hydrogen_Bond_Donor_Count	17
8508	Molecular_Weight	545.7
7059596	TPSA	23.5
6	Isotope_Atom_Count	0
126963444	Undefined_Atom_Stereo_Count	0
327044	Total_Formal_Charge	0
78739	Hydrogen_Bond_Acceptor_Count	2
41097850	Covalent_Unit_Count	1
135554980	Defined_Atom_Stereo_Count	0
4611060	TPSA	69.2
70912	Structure_Complexity	177
9319	XLogP3-AA	6
72402	Structure_Complexity	775
21650627	Undefined_Atom_Stereo_Count	1
65127	Defined_Bond_Stereo_Count	0
77720	Isotope_Atom_Count	0
9812790	Covalent_Unit_Count	1
64972	Defined_Bond_Stereo_Count	0
23349	XLogP3-AA	0.3
3478696	XLogP3-AA	0
10184774	XLogP3-AA	3.7
13045210	Undefined_Bond_Stereo_Count	0
5905	Total_Formal_Charge	0
20929	Tautomer_Count	1
95400	Defined_Atom_Stereo_Count	0
49798507	Defined_Atom_Stereo_Count	0
2372	Tautomer_Count	1
5458730	Undefined_Bond_Stereo_Count	0
91664033	Defined_Atom_Stereo_Count	28
13992155	XLogP3-AA	6.6
524314	TPSA	0
6398970	Isotope_Atom_Count	0
158076	Exact_Mass	293.1294900
10284	Defined_Atom_Stereo_Count	0
60710317	XLogP3-AA	0.1
26193	Defined_Atom_Stereo_Count	0
6918474	Mono_Isotopic_Weight	215.0349209
155882889	Undefined_Bond_Stereo_Count	0
20240	Undefined_Atom_Stereo_Count	0
57473238	Mono_Isotopic_Weight	97.027611728
20831824	Total_Formal_Charge	0
21835032	Hydrogen_Bond_Acceptor_Count	1
10301885	Non-hydrogen_Atom_Count	37
55285488	TPSA	51.2
9892539	Isotope_Atom_Count	0
46911956	Covalent_Unit_Count	1
70689792	Hydrogen_Bond_Acceptor_Count	7
9832301	Undefined_Atom_Stereo_Count	0
136873	Defined_Atom_Stereo_Count	0
60196441	XLogP3-AA	6.5
54684598	Structure_Complexity	502
132892	Undefined_Atom_Stereo_Count	1
440918	Defined_Bond_Stereo_Count	0
87183060	Undefined_Atom_Stereo_Count	0
12993143	Exact_Mass	100.100048391
92781	XLogP3-AA	1
58291777	Rotatable_Bond_Count	2
240586	Covalent_Unit_Count	1
12205389	Isotope_Atom_Count	1
290223	XLogP3-AA	1.9
28284151	Mono_Isotopic_Weight	477.1064684
91657	Tautomer_Count	6
75312	Isotope_Atom_Count	0
53232451	Structure_Complexity	513
16141	Hydrogen_Bond_Donor_Count	0
68401	Undefined_Bond_Stereo_Count	0
6252	Structure_Complexity	383
68094	Isotope_Atom_Count	0
133662562	Non-hydrogen_Atom_Count	12
520744	Mono_Isotopic_Weight	142.135765193
3033012	TPSA	37.3
44521022	TPSA	72.4
89261068	Structure_Complexity	109
2723730	Exact_Mass	155.0349209
23091966	Defined_Atom_Stereo_Count	0
18378000	Rotatable_Bond_Count	0
53378550	Molecular_Weight	453.9
23666879	Hydrogen_Bond_Donor_Count	2
67314475	TPSA	40.7
11926	Molecular_Weight	143.18
72148	Exact_Mass	333.15512091
58208	Defined_Bond_Stereo_Count	0
58528	Exact_Mass	256.121177757
70695759	Defined_Atom_Stereo_Count	0
147364829	Undefined_Bond_Stereo_Count	0
1242	Hydrogen_Bond_Donor_Count	3
173685	Defined_Bond_Stereo_Count	0
160765	Molecular_Weight	120.17
10180799	Defined_Bond_Stereo_Count	0
5289159	Molecular_Weight	305.4
134990043	Exact_Mass	99.02327524
70452	Total_Formal_Charge	0
27991	Tautomer_Count	1001
59174488	Hydrogen_Bond_Donor_Count	3
25142700	Undefined_Atom_Stereo_Count	0
4175	Hydrogen_Bond_Acceptor_Count	4
2526	Hydrogen_Bond_Acceptor_Count	6
157706	Covalent_Unit_Count	1
24200857	Undefined_Atom_Stereo_Count	0
25094902	XLogP3-AA	2.4
45933886	Defined_Bond_Stereo_Count	0
564864	Mono_Isotopic_Weight	236.9944134
133562458	Undefined_Atom_Stereo_Count	1
7183	Defined_Atom_Stereo_Count	0
528630	Mono_Isotopic_Weight	115.099714038
70713	Tautomer_Count	1
165437289	Undefined_Atom_Stereo_Count	2
5329102	Hydrogen_Bond_Donor_Count	3
23670359	Hydrogen_Bond_Acceptor_Count	8
140066067	Molecular_Weight	107.11
85325038	Isotope_Atom_Count	0
15657909	Total_Formal_Charge	0
2585	Defined_Atom_Stereo_Count	0
5702628	Rotatable_Bond_Count	2
135747285	Rotatable_Bond_Count	6
27854	Total_Formal_Charge	2
987917	Defined_Atom_Stereo_Count	0
140291701	Total_Formal_Charge	0
14708	Mono_Isotopic_Weight	330.230728204
7814	Molecular_Weight	108.14
23757	Covalent_Unit_Count	1
10434	Undefined_Atom_Stereo_Count	0
92879	Rotatable_Bond_Count	6
299643	Undefined_Bond_Stereo_Count	0
22000495	Molecular_Weight	101.10
9796590	Molecular_Weight	307.3
19360868	Undefined_Atom_Stereo_Count	1
55113	Structure_Complexity	300
13250	Total_Formal_Charge	0
5280933	Mono_Isotopic_Weight	278.224580195
195906	Defined_Atom_Stereo_Count	0
14646171	Defined_Bond_Stereo_Count	0
78836	Defined_Bond_Stereo_Count	0
123314224	Undefined_Bond_Stereo_Count	0
3016390	Mono_Isotopic_Weight	118.099379685
246983	Non-hydrogen_Atom_Count	31
5329047	Non-hydrogen_Atom_Count	29
539061	XLogP3	0.8
71450703	Mono_Isotopic_Weight	496.09403677
19918	Exact_Mass	218.105527694
20465494	Hydrogen_Bond_Acceptor_Count	2
443716	Rotatable_Bond_Count	0
10048011	Structure_Complexity	552
6866	TPSA	12.9
10404	Mono_Isotopic_Weight	241.95636425
36689718	Isotope_Atom_Count	0
79577298	Isotope_Atom_Count	0
2159	Molecular_Weight	369.5
8437	Total_Formal_Charge	0
445858	Molecular_Weight	194.18
57397970	Mono_Isotopic_Weight	510.19706254
12736014	TPSA	88.1
53385491	Covalent_Unit_Count	1
6374	Undefined_Bond_Stereo_Count	0
20626690	Total_Formal_Charge	0
2734411	Molecular_Weight	787.4
392	Covalent_Unit_Count	1
44563067	Hydrogen_Bond_Acceptor_Count	6
12281	Total_Formal_Charge	0
5581	Covalent_Unit_Count	1
144550270	Covalent_Unit_Count	1
53935056	Exact_Mass	102.115698455
19778654	Undefined_Atom_Stereo_Count	0
49290	Tautomer_Count	5
643	Molecular_Weight	214.26
8418	Isotope_Atom_Count	0
91667979	XLogP3	3.3
24266	Undefined_Atom_Stereo_Count	0
69861	Hydrogen_Bond_Donor_Count	1
444655	Non-hydrogen_Atom_Count	9
2466	Total_Formal_Charge	0
92839	Total_Formal_Charge	0
60285	Covalent_Unit_Count	1
78963	Undefined_Bond_Stereo_Count	0
94395	Non-hydrogen_Atom_Count	5
1149	Defined_Atom_Stereo_Count	0
13019068	Non-hydrogen_Atom_Count	30
1570	Mono_Isotopic_Weight	127.00918496
57016488	Rotatable_Bond_Count	2
444	Exact_Mass	239.1076919
8271	TPSA	66.5
101821020	Covalent_Unit_Count	2
3478696	Undefined_Bond_Stereo_Count	0
30692	XLogP3	3.1
213056	Total_Formal_Charge	0
11543746	TPSA	57.8
53323740	Structure_Complexity	373
558526	Defined_Bond_Stereo_Count	0
3172	Isotope_Atom_Count	0
11430	Undefined_Atom_Stereo_Count	0
135442966	Structure_Complexity	1840
2604	Molecular_Weight	268.31
23642	Mono_Isotopic_Weight	140.02958605
55067	Isotope_Atom_Count	0
24767757	Undefined_Atom_Stereo_Count	0
17848742	Hydrogen_Bond_Donor_Count	1
134572252	Structure_Complexity	98.6
31269	Defined_Bond_Stereo_Count	0
84878	Total_Formal_Charge	1
829002	TPSA	35.6
9962735	Total_Formal_Charge	0
136364887	Molecular_Weight	112.09
415628	Exact_Mass	196.0767261
65506	Non-hydrogen_Atom_Count	36
65037	Hydrogen_Bond_Donor_Count	1
9844225	Covalent_Unit_Count	2
10483883	Total_Formal_Charge	0
9840517	Defined_Atom_Stereo_Count	1
3544692	Rotatable_Bond_Count	1
71808	Undefined_Atom_Stereo_Count	1
6538	Molecular_Weight	430.9
9821174	Defined_Atom_Stereo_Count	2
3964633	Undefined_Bond_Stereo_Count	0
76519	Hydrogen_Bond_Donor_Count	1
14523483	Undefined_Atom_Stereo_Count	0
7327	Undefined_Atom_Stereo_Count	0
12969	Non-hydrogen_Atom_Count	6
9865375	Total_Formal_Charge	0
68933	Exact_Mass	264.06809681
71352	Mono_Isotopic_Weight	341.1546421
3081317	Covalent_Unit_Count	1
287983	Mono_Isotopic_Weight	85.089149355
3852430	XLogP3-AA	4.2
17304	XLogP3-AA	2
5476374	Defined_Bond_Stereo_Count	0
86276476	Hydrogen_Bond_Acceptor_Count	13
5282138	Structure_Complexity	896
51701	Rotatable_Bond_Count	7
71304	Hydrogen_Bond_Acceptor_Count	4
154342	Tautomer_Count	3
11800	Exact_Mass	246.0003056
6457	Non-hydrogen_Atom_Count	20
21924633	Hydrogen_Bond_Acceptor_Count	1
146049032	Undefined_Bond_Stereo_Count	0
144404363	Hydrogen_Bond_Acceptor_Count	2
49869041	Defined_Atom_Stereo_Count	0
75987156	Rotatable_Bond_Count	4
135616187	Defined_Bond_Stereo_Count	2
24733	Non-hydrogen_Atom_Count	28
58364265	Covalent_Unit_Count	1
13844108	Isotope_Atom_Count	0
3398	Undefined_Atom_Stereo_Count	1
599225	XLogP3-AA	1.8
17480032	Molecular_Weight	343.36
28839	Undefined_Bond_Stereo_Count	0
1629	Undefined_Bond_Stereo_Count	0
16293	Non-hydrogen_Atom_Count	14
57395308	Molecular_Weight	616.7
54405	Exact_Mass	441.02840
82693	Total_Formal_Charge	0
6591	Covalent_Unit_Count	1
595926	Hydrogen_Bond_Acceptor_Count	1
16038399	Molecular_Weight	373.4
689739	Hydrogen_Bond_Acceptor_Count	2
9959269	TPSA	111
78249	Hydrogen_Bond_Donor_Count	0
134693315	XLogP3	1.4
57390868	Total_Formal_Charge	0
116225458	Defined_Atom_Stereo_Count	0
22477643	TPSA	39.6
16388	Isotope_Atom_Count	0
497100	Rotatable_Bond_Count	2
7030	Defined_Bond_Stereo_Count	0
107973	Mono_Isotopic_Weight	307.06095954
11672659	Defined_Atom_Stereo_Count	0
191	Non-hydrogen_Atom_Count	19
5256228	Covalent_Unit_Count	1
60155367	Exact_Mass	385.21138974
6652	Undefined_Atom_Stereo_Count	1
14440271	Defined_Atom_Stereo_Count	0
1548886	Undefined_Bond_Stereo_Count	0
54684141	Exact_Mass	270.06161202
23665763	Defined_Atom_Stereo_Count	0
66615626	Defined_Bond_Stereo_Count	0
8946	Undefined_Bond_Stereo_Count	0
7351	XLogP3-AA	2.5
135492976	Covalent_Unit_Count	1
194519	Mono_Isotopic_Weight	304.02175079
163284948	Hydrogen_Bond_Acceptor_Count	19
59648985	TPSA	23.8
443948	Molecular_Weight	814.0
57037620	Covalent_Unit_Count	1
44395101	Mono_Isotopic_Weight	480.21614077
6613	Mono_Isotopic_Weight	219.11067264
46213929	Defined_Atom_Stereo_Count	0
19100324	Undefined_Bond_Stereo_Count	0
13186	Hydrogen_Bond_Donor_Count	1
2267	Defined_Bond_Stereo_Count	0
129664186	Hydrogen_Bond_Donor_Count	0
71661882	Defined_Bond_Stereo_Count	0
12076	XLogP3	1.9
11695008	Hydrogen_Bond_Acceptor_Count	1
5896	Defined_Atom_Stereo_Count	0
11167112	Rotatable_Bond_Count	7
527111	Covalent_Unit_Count	1
131634493	Isotope_Atom_Count	0
17028077	Defined_Bond_Stereo_Count	0
33344	Structure_Complexity	156
14798	Defined_Atom_Stereo_Count	0
521998	Structure_Complexity	206
7058062	Total_Formal_Charge	0
97368	Exact_Mass	147.05315777
96458	Mono_Isotopic_Weight	358.0985242
6957647	Defined_Atom_Stereo_Count	0
197855	TPSA	151
6255	Defined_Atom_Stereo_Count	10
74867	Non-hydrogen_Atom_Count	17
96396	Structure_Complexity	205
929262	Tautomer_Count	2
13809010	Rotatable_Bond_Count	1
137699188	Covalent_Unit_Count	1
65940	TPSA	129
8411	TPSA	70.5
4714	Defined_Atom_Stereo_Count	0
839431	Structure_Complexity	365
3840	Undefined_Atom_Stereo_Count	0
11474	Rotatable_Bond_Count	1
5460700	Defined_Bond_Stereo_Count	0
16272	Defined_Atom_Stereo_Count	0
72277	Isotope_Atom_Count	0
9863447	Isotope_Atom_Count	0
5509	Defined_Atom_Stereo_Count	0
16323	Structure_Complexity	141
7048523	Covalent_Unit_Count	1
68862	TPSA	52.6
136898365	Total_Formal_Charge	0
90462	Structure_Complexity	244
62278	Hydrogen_Bond_Donor_Count	1
6671	Non-hydrogen_Atom_Count	11
134715456	Non-hydrogen_Atom_Count	29
57507663	Isotope_Atom_Count	0
2803	Exact_Mass	229.0173527
71460731	Undefined_Bond_Stereo_Count	0
6388	Non-hydrogen_Atom_Count	5
65985700	Undefined_Atom_Stereo_Count	1
9957	XLogP3	0.9
91223	Tautomer_Count	1
10393	Isotope_Atom_Count	0
161764	Total_Formal_Charge	0
90410375	Mono_Isotopic_Weight	645.18147205
5392139	Non-hydrogen_Atom_Count	15
127832	Tautomer_Count	1
18506421	Rotatable_Bond_Count	0
16036788	TPSA	107
137606	Defined_Bond_Stereo_Count	0
29927670	Isotope_Atom_Count	0
117810308	Non-hydrogen_Atom_Count	7
768	Hydrogen_Bond_Acceptor_Count	1
4387	Rotatable_Bond_Count	8
40308	Tautomer_Count	1
348669	Hydrogen_Bond_Acceptor_Count	6
78553	Mono_Isotopic_Weight	215.96083
3838852	Undefined_Bond_Stereo_Count	0
7017101	Exact_Mass	124.063662883
83372	TPSA	45.8
17273	XLogP3	5.4
12959039	Total_Formal_Charge	0
11541153	Defined_Bond_Stereo_Count	0
13432443	Isotope_Atom_Count	0
14682	TPSA	0
10957	Rotatable_Bond_Count	3
75024	Isotope_Atom_Count	0
35492	XLogP3-AA	4.2
16726085	Covalent_Unit_Count	1
12968	Undefined_Bond_Stereo_Count	0
11556427	Undefined_Bond_Stereo_Count	0
15027981	Total_Formal_Charge	0
145994598	Mono_Isotopic_Weight	8268.3514156
54239389	Undefined_Atom_Stereo_Count	0
68873	Undefined_Atom_Stereo_Count	0
88267	Undefined_Bond_Stereo_Count	0
15098	Hydrogen_Bond_Donor_Count	0
48368	Tautomer_Count	1
581383	Hydrogen_Bond_Donor_Count	0
20055342	Hydrogen_Bond_Acceptor_Count	14
1068	TPSA	25.3
51464	Hydrogen_Bond_Donor_Count	0
5282948	Defined_Bond_Stereo_Count	2
18757800	Isotope_Atom_Count	0
56623654	Exact_Mass	112.063662883
6694	Molecular_Weight	479.0
5426	Structure_Complexity	449
642623	Covalent_Unit_Count	1
1549045	Defined_Atom_Stereo_Count	0
51026956	Non-hydrogen_Atom_Count	22
68424	Mono_Isotopic_Weight	87.068413911
8644	Tautomer_Count	1
10967532	Defined_Atom_Stereo_Count	0
36312	Tautomer_Count	1
20587	Total_Formal_Charge	0
96066	Total_Formal_Charge	0
5280953	Hydrogen_Bond_Donor_Count	1
11974213	TPSA	78
81836	Undefined_Atom_Stereo_Count	0
25117126	Undefined_Bond_Stereo_Count	0
53316379	Defined_Bond_Stereo_Count	0
154132	Mono_Isotopic_Weight	354.0901833
9854489	XLogP3	4.8
21903	XLogP3-AA	2.4
23674098	Non-hydrogen_Atom_Count	28
46891563	Defined_Atom_Stereo_Count	2
85764696	Molecular_Weight	114.14
84571	Defined_Bond_Stereo_Count	0
1173	TPSA	66.8
89053261	Isotope_Atom_Count	0
138323	Rotatable_Bond_Count	2
74802	Non-hydrogen_Atom_Count	11
46835725	Tautomer_Count	1
4616	Non-hydrogen_Atom_Count	20
10458325	Mono_Isotopic_Weight	490.1338596
34956	Total_Formal_Charge	0
1219	Undefined_Bond_Stereo_Count	0
9955175	Hydrogen_Bond_Acceptor_Count	7
57541268	Mono_Isotopic_Weight	391.20082506
58655	Hydrogen_Bond_Donor_Count	4
49436	Structure_Complexity	259
521938	Defined_Bond_Stereo_Count	0
15080	Covalent_Unit_Count	1
587128	Structure_Complexity	145
42174	Defined_Atom_Stereo_Count	0
54605501	Structure_Complexity	981
3724	Undefined_Atom_Stereo_Count	4
88859271	Hydrogen_Bond_Donor_Count	1
4964	Isotope_Atom_Count	0
54169147	Non-hydrogen_Atom_Count	8
23694671	Hydrogen_Bond_Acceptor_Count	2
25181577	Undefined_Atom_Stereo_Count	0
24917007	Defined_Bond_Stereo_Count	0
5284572	Isotope_Atom_Count	0
403648	Covalent_Unit_Count	1
47517	Non-hydrogen_Atom_Count	18
147594753	Covalent_Unit_Count	1
49849621	Non-hydrogen_Atom_Count	30
9841	Undefined_Atom_Stereo_Count	0
54467044	Structure_Complexity	104
155560570	Undefined_Bond_Stereo_Count	0
23622962	Exact_Mass	874.54474508
9831783	Covalent_Unit_Count	3
13578	Defined_Atom_Stereo_Count	0
69086581	Total_Formal_Charge	0
4136526	Covalent_Unit_Count	1
60063	Exact_Mass	365.0942473
57174031	Defined_Bond_Stereo_Count	0
40361	Structure_Complexity	287
6420057	Tautomer_Count	1
85916	Mono_Isotopic_Weight	100.063662883
160692	Exact_Mass	251.094628657
5284441	Hydrogen_Bond_Acceptor_Count	2
712421	Hydrogen_Bond_Donor_Count	2
14337609	Hydrogen_Bond_Donor_Count	0
152260	Isotope_Atom_Count	0
9861147	Covalent_Unit_Count	1
126969105	Undefined_Atom_Stereo_Count	0
10575614	Molecular_Weight	452.5
20849243	Structure_Complexity	223
14200531	Hydrogen_Bond_Acceptor_Count	3
24831714	TPSA	104
82141	Tautomer_Count	1
5367460	Hydrogen_Bond_Acceptor_Count	2
10301	Defined_Bond_Stereo_Count	0
17142	Exact_Mass	297.09608521
66986	Rotatable_Bond_Count	12
1125887	Molecular_Weight	419.3
5778	Defined_Atom_Stereo_Count	0
54676715	Defined_Bond_Stereo_Count	0
58664	Rotatable_Bond_Count	3
62374	Structure_Complexity	246
11061169	Hydrogen_Bond_Acceptor_Count	5
5283731	TPSA	40.5
10240775	Mono_Isotopic_Weight	103.063328530
5284515	Rotatable_Bond_Count	6
7321	Total_Formal_Charge	0
23615430	Non-hydrogen_Atom_Count	16
55652	Hydrogen_Bond_Donor_Count	0
54033586	Undefined_Atom_Stereo_Count	2
6327428	Undefined_Bond_Stereo_Count	0
76225402	Molecular_Weight	97.12
49778730	Molecular_Weight	448.5
11703161	Covalent_Unit_Count	3
6914282	Covalent_Unit_Count	1
62382	Defined_Bond_Stereo_Count	0
6973640	Undefined_Atom_Stereo_Count	0
86956	Molecular_Weight	228.4
58079819	Hydrogen_Bond_Donor_Count	1
6918498	Structure_Complexity	503
71517366	Hydrogen_Bond_Acceptor_Count	8
72276	Total_Formal_Charge	0
87163	Exact_Mass	124.074896272
243415	Molecular_Weight	115.17
87586559	Rotatable_Bond_Count	0
7355	XLogP3-AA	1.9
126963478	XLogP3-AA	2.5
1272	Defined_Bond_Stereo_Count	0
447196	Tautomer_Count	3
135550179	TPSA	220
66646	Molecular_Weight	171.58
542	Hydrogen_Bond_Donor_Count	1
544596	Non-hydrogen_Atom_Count	7
7211	TPSA	40.5
8412	Defined_Bond_Stereo_Count	0
5282944	Total_Formal_Charge	0
350	Non-hydrogen_Atom_Count	21
49517	Rotatable_Bond_Count	18
161561	Mono_Isotopic_Weight	430.1093467
18950548	Structure_Complexity	80.1
16749605	Hydrogen_Bond_Acceptor_Count	1
66119	Hydrogen_Bond_Donor_Count	0
54700	Rotatable_Bond_Count	9
12563	Non-hydrogen_Atom_Count	13
4573	Non-hydrogen_Atom_Count	14
16767378	Structure_Complexity	175
98053103	Undefined_Atom_Stereo_Count	0
129073603	Hydrogen_Bond_Acceptor_Count	9
46871657	Covalent_Unit_Count	1
130000966	Exact_Mass	101.084063974
1350	Molecular_Weight	340.18
4669250	Undefined_Bond_Stereo_Count	0
235269	Exact_Mass	293.91375
5273472	Isotope_Atom_Count	0
119574	TPSA	67.6
30544	Isotope_Atom_Count	0
13258395	Undefined_Bond_Stereo_Count	0
135589116	Hydrogen_Bond_Donor_Count	3
119093923	Rotatable_Bond_Count	1
443873	Tautomer_Count	2
10102486	Undefined_Bond_Stereo_Count	0
79724	Exact_Mass	330.09192877
5462442	Hydrogen_Bond_Donor_Count	2
638228	XLogP3-AA	3.6
24812721	Rotatable_Bond_Count	6
12812295	Exact_Mass	111.068413911
16109396	Rotatable_Bond_Count	7
131841462	Isotope_Atom_Count	0
85979179	XLogP3-AA	0.7
58195	Undefined_Bond_Stereo_Count	0
58270057	Total_Formal_Charge	0
24176	Covalent_Unit_Count	1
162955687	Mono_Isotopic_Weight	342.11621151
73101855	Isotope_Atom_Count	0
1028	Total_Formal_Charge	0
66550979	Undefined_Atom_Stereo_Count	0
54025583	Hydrogen_Bond_Acceptor_Count	2
6427079	Total_Formal_Charge	0
79964	Defined_Bond_Stereo_Count	0
58691	Defined_Bond_Stereo_Count	0
11656753	Undefined_Bond_Stereo_Count	0
4763	Undefined_Bond_Stereo_Count	0
8882	Structure_Complexity	38
54758308	Rotatable_Bond_Count	9
4692287	XLogP3	3.9
941651	Exact_Mass	443.17011952
53990905	Isotope_Atom_Count	0
123492457	TPSA	0
96412	Defined_Atom_Stereo_Count	0
3906961	Undefined_Bond_Stereo_Count	0
3017320	XLogP3-AA	2.2
73902	Undefined_Atom_Stereo_Count	0
439282	Undefined_Bond_Stereo_Count	0
160889158	Mono_Isotopic_Weight	113.058911855
66137	Tautomer_Count	1
30843	Covalent_Unit_Count	1
197835	Total_Formal_Charge	0
60044069	Exact_Mass	284.16237386
136121	Defined_Bond_Stereo_Count	0
639288	Defined_Bond_Stereo_Count	0
9865808	Defined_Bond_Stereo_Count	0
86306373	Rotatable_Bond_Count	1
1667	Isotope_Atom_Count	0
920954	Isotope_Atom_Count	0
88154	TPSA	60.7
23665730	Undefined_Bond_Stereo_Count	0
439248	Non-hydrogen_Atom_Count	56
11138	XLogP3-AA	0.5
76372196	Undefined_Atom_Stereo_Count	1
5329056	Undefined_Bond_Stereo_Count	0
11550	Defined_Bond_Stereo_Count	0
7643	Hydrogen_Bond_Acceptor_Count	2
71680685	Undefined_Atom_Stereo_Count	1
10928	Defined_Bond_Stereo_Count	0
6796	Isotope_Atom_Count	0
24825254	Molecular_Weight	510.6
71142	Non-hydrogen_Atom_Count	28
57406717	Hydrogen_Bond_Acceptor_Count	5
71560031	Non-hydrogen_Atom_Count	33
12148754	TPSA	98.7
55290327	Covalent_Unit_Count	1
70414	Rotatable_Bond_Count	7
53943526	Hydrogen_Bond_Donor_Count	1
2778	Undefined_Bond_Stereo_Count	0
40471	Hydrogen_Bond_Acceptor_Count	0
3052777	Mono_Isotopic_Weight	373.0384821
5284537	Undefined_Atom_Stereo_Count	0
59174488	Covalent_Unit_Count	1
12962	Non-hydrogen_Atom_Count	5
6432903	Mono_Isotopic_Weight	204.115029749
16437056	Defined_Bond_Stereo_Count	0
9427	Defined_Bond_Stereo_Count	0
12777	TPSA	26.3
6779	XLogP3	5.3
141037332	Isotope_Atom_Count	0
15053	Undefined_Bond_Stereo_Count	0
5270576	Undefined_Bond_Stereo_Count	0
5284535	Tautomer_Count	9
62751	Hydrogen_Bond_Donor_Count	0
21692	Structure_Complexity	461
20294925	XLogP3	0.3
135421876	Defined_Bond_Stereo_Count	0
472	XLogP3-AA	1.1
2929	Undefined_Atom_Stereo_Count	0
119097293	Undefined_Bond_Stereo_Count	0
535479	Mono_Isotopic_Weight	82.053098200
57272093	Rotatable_Bond_Count	3
159736	Total_Formal_Charge	0
89292361	Molecular_Weight	100.16
20067437	Defined_Bond_Stereo_Count	0
86367	Mono_Isotopic_Weight	225.126597491
21306027	Hydrogen_Bond_Donor_Count	0
22542	Rotatable_Bond_Count	12
11268547	XLogP3-AA	3.4
3084667	Defined_Bond_Stereo_Count	0
40428463	Hydrogen_Bond_Donor_Count	0
7916	Hydrogen_Bond_Acceptor_Count	2
9948588	Isotope_Atom_Count	0
260809	Exact_Mass	129.042593085
3416433	XLogP3-AA	2.1
66615606	Molecular_Weight	514.0
11538502	Hydrogen_Bond_Donor_Count	2
6433110	Undefined_Atom_Stereo_Count	0
69871	Isotope_Atom_Count	0
42715	Hydrogen_Bond_Donor_Count	0
56955186	Hydrogen_Bond_Acceptor_Count	3
77495	Structure_Complexity	96.3
443933	XLogP3-AA	4.9
71433133	Molecular_Weight	111.14
155742	TPSA	40.5
19078026	Molecular_Weight	99.13
5359541	Structure_Complexity	25.7
76958	Hydrogen_Bond_Donor_Count	1
22456671	TPSA	52
34624	Hydrogen_Bond_Donor_Count	0
55297293	Rotatable_Bond_Count	0
25171662	Isotope_Atom_Count	0
54234844	Total_Formal_Charge	0
149026	Total_Formal_Charge	0
447340	Covalent_Unit_Count	1
397053	Rotatable_Bond_Count	4
13306871	Structure_Complexity	66.5
122767	Undefined_Atom_Stereo_Count	0
54682505	Structure_Complexity	558
5487713	Defined_Bond_Stereo_Count	1
184495	Molecular_Weight	295.3
391144	Non-hydrogen_Atom_Count	36
449346	Non-hydrogen_Atom_Count	13
539001	TPSA	17.1
25183872	TPSA	98.7
12429703	Covalent_Unit_Count	1
8022	Defined_Bond_Stereo_Count	0
5363355	Mono_Isotopic_Weight	333.0548008
46164	Isotope_Atom_Count	0
13917	Molecular_Weight	221.29
142772	Non-hydrogen_Atom_Count	32
13129	Hydrogen_Bond_Donor_Count	0
10848	Undefined_Bond_Stereo_Count	0
130124970	Defined_Bond_Stereo_Count	0
6506221	Mono_Isotopic_Weight	236.214015512
11702315	Hydrogen_Bond_Donor_Count	1
54011	Molecular_Weight	498.7
9989	XLogP3-AA	3.1
20090062	TPSA	40.5
9561131	Undefined_Atom_Stereo_Count	0
636523	Total_Formal_Charge	0
94190	Defined_Bond_Stereo_Count	0
3081387	Non-hydrogen_Atom_Count	44
134931805	Mono_Isotopic_Weight	112.088815002
826477	Isotope_Atom_Count	0
26430	Exact_Mass	344.13809112
5282230	Exact_Mass	327.11067264
138062	Undefined_Bond_Stereo_Count	0
72064	Isotope_Atom_Count	0
5148195	Non-hydrogen_Atom_Count	12
2721	Undefined_Bond_Stereo_Count	1
7048634	Structure_Complexity	674
6328152	Hydrogen_Bond_Donor_Count	1
538433	Undefined_Atom_Stereo_Count	0
2370	TPSA	52.3
402	TPSA	1
5702690	Mono_Isotopic_Weight	497.90605924
447277	XLogP3-AA	4.4
81569	Tautomer_Count	1
139307343	Covalent_Unit_Count	1
7794	Mono_Isotopic_Weight	154.135765193
23182417	Structure_Complexity	119
13314	Exact_Mass	334.0275830
66615678	Covalent_Unit_Count	1
24900751	Non-hydrogen_Atom_Count	35
53479	Structure_Complexity	199
118705467	Mono_Isotopic_Weight	645.31491132
6234	Hydrogen_Bond_Acceptor_Count	3
145305028	Structure_Complexity	86.1
11593706	Hydrogen_Bond_Acceptor_Count	5
10920480	Hydrogen_Bond_Donor_Count	0
42471	Defined_Bond_Stereo_Count	0
121540407	Molecular_Weight	342.30
14	Isotope_Atom_Count	0
60196261	Defined_Atom_Stereo_Count	0
91486118	Exact_Mass	113.058911855
77531	TPSA	25.8
5461103	Molecular_Weight	273.28
15256279	Structure_Complexity	57.2
39484	Undefined_Atom_Stereo_Count	0
68135	Total_Formal_Charge	0
75987414	Total_Formal_Charge	0
14365987	Mono_Isotopic_Weight	112.016043985
5748152	Structure_Complexity	457
6436082	Isotope_Atom_Count	0
5282181	Structure_Complexity	643
4712993	Defined_Atom_Stereo_Count	0
11170931	Hydrogen_Bond_Acceptor_Count	3
95616	Defined_Bond_Stereo_Count	0
15347	Defined_Bond_Stereo_Count	0
53167	Rotatable_Bond_Count	0
9400	Non-hydrogen_Atom_Count	32
46204403	Structure_Complexity	77
72402	Molecular_Weight	363.4
34005	Total_Formal_Charge	0
57856017	Covalent_Unit_Count	1
13364	TPSA	3.2
6427	Hydrogen_Bond_Acceptor_Count	2
68682560	TPSA	128
56675037	Non-hydrogen_Atom_Count	30
18314545	Defined_Atom_Stereo_Count	0
11556910	Rotatable_Bond_Count	5
11509	XLogP3-AA	1.2
219625	Non-hydrogen_Atom_Count	8
25007063	XLogP3-AA	4.2
12443366	Undefined_Atom_Stereo_Count	0
186044	Rotatable_Bond_Count	1
20041	Defined_Bond_Stereo_Count	0
5748733	Undefined_Bond_Stereo_Count	0
178145	Undefined_Atom_Stereo_Count	1
69299	Undefined_Bond_Stereo_Count	0
12488	Undefined_Bond_Stereo_Count	0
2939	Molecular_Weight	464.15
19220	Mono_Isotopic_Weight	189.115364102
17705	Covalent_Unit_Count	1
22263119	TPSA	69.1
18338549	Hydrogen_Bond_Acceptor_Count	2
14919832	Structure_Complexity	85.6
3048356	Undefined_Atom_Stereo_Count	0
3321	Total_Formal_Charge	0
21205308	Undefined_Bond_Stereo_Count	0
159832	Undefined_Atom_Stereo_Count	0
125	Hydrogen_Bond_Donor_Count	2
10497540	Non-hydrogen_Atom_Count	25
7800	Non-hydrogen_Atom_Count	16
6331	Covalent_Unit_Count	1
18622	Molecular_Weight	238.28
10478	Isotope_Atom_Count	0
102492967	Defined_Atom_Stereo_Count	0
1562	Hydrogen_Bond_Donor_Count	3
2228691	Rotatable_Bond_Count	7
61044	Structure_Complexity	150
21917899	Undefined_Atom_Stereo_Count	0
60975	Molecular_Weight	265.78
5283305	Tautomer_Count	1
3084049	Structure_Complexity	1300
16911	Total_Formal_Charge	0
11100989	Isotope_Atom_Count	0
154214	Defined_Atom_Stereo_Count	2
12210512	Non-hydrogen_Atom_Count	6
30215	Defined_Atom_Stereo_Count	0
136809	Defined_Bond_Stereo_Count	0
2763	Undefined_Bond_Stereo_Count	0
750	Undefined_Bond_Stereo_Count	0
23276	Tautomer_Count	1
116842112	XLogP3-AA	1.6
3891	Total_Formal_Charge	0
61574	XLogP3-AA	5.6
2568	Non-hydrogen_Atom_Count	10
11442	Undefined_Bond_Stereo_Count	0
46936966	Hydrogen_Bond_Donor_Count	8
8233	Molecular_Weight	733.9
5815211	Exact_Mass	514.01091900
17909343	Defined_Atom_Stereo_Count	0
10221890	TPSA	139
4369579	Isotope_Atom_Count	0
71808	Structure_Complexity	147
129628397	Undefined_Bond_Stereo_Count	0
200164	Isotope_Atom_Count	0
81509	Isotope_Atom_Count	0
10811	Rotatable_Bond_Count	4
13848132	Undefined_Bond_Stereo_Count	0
16133793	Covalent_Unit_Count	1
12105	TPSA	17.1
14103059	Undefined_Bond_Stereo_Count	0
184321	TPSA	3
78610	Defined_Bond_Stereo_Count	0
19675	Non-hydrogen_Atom_Count	29
68013637	Exact_Mass	342.11621151
3226	Hydrogen_Bond_Acceptor_Count	6
13400	Undefined_Bond_Stereo_Count	0
5281877	Undefined_Atom_Stereo_Count	0
73820465	Exact_Mass	482.15768240
74370	Structure_Complexity	1030
138860	Structure_Complexity	168
198382	Undefined_Bond_Stereo_Count	0
23725123	Molecular_Weight	350.4
24585	Defined_Bond_Stereo_Count	0
3082052	Structure_Complexity	242
44228720	Covalent_Unit_Count	1
14113	Non-hydrogen_Atom_Count	13
97665	Hydrogen_Bond_Donor_Count	2
65589	Defined_Bond_Stereo_Count	0
40100	Hydrogen_Bond_Donor_Count	1
11167602	TPSA	92.4
101743775	Hydrogen_Bond_Donor_Count	2
60148432	Defined_Atom_Stereo_Count	0
8570	Defined_Bond_Stereo_Count	0
146868632	Hydrogen_Bond_Acceptor_Count	2
614048	TPSA	92.3
91972121	Molecular_Weight	1345.4
3606	Total_Formal_Charge	0
123467456	Structure_Complexity	72.9
78072498	Undefined_Atom_Stereo_Count	2
21791020	Non-hydrogen_Atom_Count	8
70207914	Undefined_Atom_Stereo_Count	0
2236	Rotatable_Bond_Count	2
4228493	Covalent_Unit_Count	1
133687604	Defined_Bond_Stereo_Count	0
11638	Tautomer_Count	1
87401	XLogP3-AA	3
9908880	Undefined_Bond_Stereo_Count	0
16754849	Defined_Atom_Stereo_Count	2
71464628	Structure_Complexity	641
122361610	Mono_Isotopic_Weight	430.23553880
47	Covalent_Unit_Count	1
15972136	Hydrogen_Bond_Donor_Count	0
3038477	Exact_Mass	378.12494298
1206	Tautomer_Count	1
10815	Hydrogen_Bond_Donor_Count	2
35898	Structure_Complexity	312
6918678	Exact_Mass	361.12738533
6327350	Hydrogen_Bond_Donor_Count	0
54175	Total_Formal_Charge	0
68736	Exact_Mass	223.06095954
67963	Exact_Mass	195.0062613
10774305	Isotope_Atom_Count	0
54205474	TPSA	12
970440	Undefined_Bond_Stereo_Count	0
24848413	Undefined_Atom_Stereo_Count	0
535634	Total_Formal_Charge	0
20814133	Undefined_Bond_Stereo_Count	0
67522	Hydrogen_Bond_Donor_Count	2
9692	Defined_Bond_Stereo_Count	0
18789128	Covalent_Unit_Count	1
15827531	XLogP3-AA	2.2
17510	Hydrogen_Bond_Acceptor_Count	3
6918651	Undefined_Atom_Stereo_Count	0
80972	Defined_Bond_Stereo_Count	0
5377022	Rotatable_Bond_Count	3
60196413	Exact_Mass	474.25522887
73267	Defined_Bond_Stereo_Count	0
53894233	Hydrogen_Bond_Donor_Count	0
5282437	Non-hydrogen_Atom_Count	40
11189402	Hydrogen_Bond_Acceptor_Count	8
136499	Tautomer_Count	1
53674	Defined_Atom_Stereo_Count	0
91561252	Mono_Isotopic_Weight	112.088815002
101739878	Total_Formal_Charge	0
7259	Structure_Complexity	90.6
418296	Exact_Mass	831.112418
21345781	Structure_Complexity	71.6
139591683	Isotope_Atom_Count	0
13635047	Non-hydrogen_Atom_Count	8
622606	Undefined_Bond_Stereo_Count	0
23712863	Hydrogen_Bond_Donor_Count	0
5276614	TPSA	38.7
6537213	Non-hydrogen_Atom_Count	33
12049	Hydrogen_Bond_Donor_Count	1
74318	Structure_Complexity	191
54558427	TPSA	46.5
644160	Total_Formal_Charge	0
87325	Covalent_Unit_Count	1
67683363	Isotope_Atom_Count	0
67641738	Defined_Bond_Stereo_Count	0
6324671	Hydrogen_Bond_Acceptor_Count	12
98365	Exact_Mass	172.063662883
41287	Isotope_Atom_Count	0
68337933	Undefined_Atom_Stereo_Count	1
5284472	Covalent_Unit_Count	3
95069	Defined_Atom_Stereo_Count	0
88371993	Defined_Atom_Stereo_Count	0
62705688	Covalent_Unit_Count	1
15559460	Rotatable_Bond_Count	4
44458766	Hydrogen_Bond_Donor_Count	4
11604	Exact_Mass	81.057849228
39223	Exact_Mass	313.0416773
12383043	Structure_Complexity	64
25229	Exact_Mass	1253.5549
589692	Defined_Atom_Stereo_Count	0
347	Defined_Atom_Stereo_Count	0
798232	Undefined_Bond_Stereo_Count	0
3357	Covalent_Unit_Count	1
1761	Hydrogen_Bond_Acceptor_Count	8
5932	Undefined_Bond_Stereo_Count	0
9855453	Rotatable_Bond_Count	3
96638024	Defined_Atom_Stereo_Count	0
74879	TPSA	17.1
70695760	Mono_Isotopic_Weight	479.09569
15926139	Isotope_Atom_Count	0
7393	Structure_Complexity	115
85760873	TPSA	0
69676	TPSA	9.2
21903575	Undefined_Bond_Stereo_Count	0
6993950	Defined_Atom_Stereo_Count	0
135972	Hydrogen_Bond_Donor_Count	0
5320313	Isotope_Atom_Count	0
146256	Rotatable_Bond_Count	6
15221251	Rotatable_Bond_Count	1
45120378	Mono_Isotopic_Weight	111.068413911
656597	Mono_Isotopic_Weight	383.10961
10201696	Undefined_Bond_Stereo_Count	0
5473310	Defined_Atom_Stereo_Count	0
123680261	TPSA	59.2
6102820	Hydrogen_Bond_Acceptor_Count	5
31201	Defined_Bond_Stereo_Count	0
62015	Molecular_Weight	407.6
41663	Rotatable_Bond_Count	1
4680	Structure_Complexity	407
54226	Defined_Atom_Stereo_Count	0
9579578	Undefined_Atom_Stereo_Count	0
118	Undefined_Atom_Stereo_Count	0
15032818	Molecular_Weight	106.16
5216	Undefined_Atom_Stereo_Count	0
905	Non-hydrogen_Atom_Count	12
7158	Undefined_Atom_Stereo_Count	1
15747657	TPSA	99.6
140672839	Undefined_Bond_Stereo_Count	0
44560807	TPSA	139
725692	Undefined_Atom_Stereo_Count	0
516902	Covalent_Unit_Count	2
3362	Defined_Atom_Stereo_Count	0
21516623	Hydrogen_Bond_Donor_Count	0
96428	Structure_Complexity	243
25087171	Defined_Bond_Stereo_Count	0
2853	Mono_Isotopic_Weight	515.27438392
11829369	Hydrogen_Bond_Acceptor_Count	1
14230	Hydrogen_Bond_Acceptor_Count	1
71905	Undefined_Atom_Stereo_Count	0
15721166	Defined_Atom_Stereo_Count	0
142552	Non-hydrogen_Atom_Count	8
24973796	Exact_Mass	99.079647300
23635364	Total_Formal_Charge	0
8373	XLogP3	2.5
12453	Undefined_Atom_Stereo_Count	0
264990	Undefined_Bond_Stereo_Count	0
107639	Structure_Complexity	0
285657	Mono_Isotopic_Weight	112.03851076
155144825	Total_Formal_Charge	0
15660	Hydrogen_Bond_Acceptor_Count	2
6278	Isotope_Atom_Count	0
5280389	Undefined_Bond_Stereo_Count	0
87081618	Defined_Atom_Stereo_Count	0
447458	Rotatable_Bond_Count	9
54316592	Non-hydrogen_Atom_Count	8
2870	Total_Formal_Charge	0
131255	Defined_Atom_Stereo_Count	0
584645	Exact_Mass	302.06128010
13307026	Defined_Atom_Stereo_Count	0
23725019	Hydrogen_Bond_Acceptor_Count	4
137699572	Total_Formal_Charge	0
22643188	Total_Formal_Charge	0
18781684	Undefined_Bond_Stereo_Count	0
71751937	TPSA	45.6
5282180	Undefined_Atom_Stereo_Count	0
9180	Exact_Mass	229.089149355
71397	Undefined_Bond_Stereo_Count	0
19935381	Defined_Bond_Stereo_Count	0
145706202	Total_Formal_Charge	0
16138	Tautomer_Count	1
16683	Hydrogen_Bond_Donor_Count	0
124762103	Non-hydrogen_Atom_Count	23
45270802	Exact_Mass	531.25088995
194953	Hydrogen_Bond_Donor_Count	3
51017507	TPSA	279
57409556	Defined_Atom_Stereo_Count	3
19010321	Undefined_Atom_Stereo_Count	0
59059978	Total_Formal_Charge	0
65051	Molecular_Weight	466.17
139211202	Hydrogen_Bond_Acceptor_Count	7
71453747	Undefined_Atom_Stereo_Count	0
134931805	Hydrogen_Bond_Acceptor_Count	1
12629	Molecular_Weight	416.5
51762	XLogP3-AA	4.4
7941	Rotatable_Bond_Count	2
153754883	Isotope_Atom_Count	0
12313473	Covalent_Unit_Count	1
59292	Undefined_Bond_Stereo_Count	0
71221	XLogP3-AA	2.2
20392	Covalent_Unit_Count	1
57394706	Structure_Complexity	648
10554	Mono_Isotopic_Weight	92.0392780
10355130	Defined_Atom_Stereo_Count	0
57465876	Total_Formal_Charge	0
101627	TPSA	87
54025111	Undefined_Bond_Stereo_Count	0
5359353	TPSA	49.8
101874073	Defined_Bond_Stereo_Count	0
704316	Exact_Mass	331.0182254
2459	Hydrogen_Bond_Donor_Count	4
16089914	Mono_Isotopic_Weight	435.10452
16211283	Molecular_Weight	396.9
23629997	Exact_Mass	390.18042397
581	Rotatable_Bond_Count	3
66837179	Exact_Mass	118.062994177
20821286	XLogP3-AA	0.8
148475193	Undefined_Bond_Stereo_Count	0
118855925	Defined_Atom_Stereo_Count	4
6536825	TPSA	121
56672298	Structure_Complexity	680
17184	Exact_Mass	387.13517331
10621	Non-hydrogen_Atom_Count	43
15699917	Covalent_Unit_Count	1
9120	TPSA	0
21903911	Non-hydrogen_Atom_Count	7
54767916	Isotope_Atom_Count	0
71655	Rotatable_Bond_Count	2
565005	Structure_Complexity	123
557678	Total_Formal_Charge	0
16732168	Total_Formal_Charge	0
139062655	Hydrogen_Bond_Donor_Count	5
135459971	Exact_Mass	323.00179
6431771	Molecular_Weight	343.32
148546155	Defined_Bond_Stereo_Count	0
2776282	Structure_Complexity	525
439286	XLogP3-AA	1.1
5718	Structure_Complexity	327
15628	Defined_Bond_Stereo_Count	0
166581	Defined_Atom_Stereo_Count	0
66252	Undefined_Bond_Stereo_Count	0
4707	Mono_Isotopic_Weight	329.02761
69091	TPSA	46.5
11796	XLogP3	3
21482439	Defined_Bond_Stereo_Count	0
21123040	Hydrogen_Bond_Donor_Count	4
138991601	XLogP3-AA	4.6
220834	Structure_Complexity	199
135565082	TPSA	84.2
477	Covalent_Unit_Count	1
69280558	Defined_Atom_Stereo_Count	0
227112	Hydrogen_Bond_Donor_Count	2
26533	Isotope_Atom_Count	0
5282401	Defined_Atom_Stereo_Count	0
24745723	Exact_Mass	221.06228316
10077129	Defined_Bond_Stereo_Count	1
66201	XLogP3-AA	0.6
107758	TPSA	308
