comparison test-data/S_dataset.csv @ 0:e0bb949eac45 draft default tip

planemo upload for repository https://github.com/Helmholtz-UFZ/galaxy-tools/tree/main/tools/dfpl commit 66c6acfeff5441c36fba97787ddc5ee3d6a4a6ec
author ufz
date Thu, 19 Dec 2024 12:51:21 +0000
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:e0bb949eac45
1 smiles,AR,ER,GR,Aromatase,TR,PPARg,ED
2 CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C,1,1,1,1,1,1,1
3 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O,1,1,1,1,1,0,1
4 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O,1,1,1,0,1,1,1
5 Oc1c(Br)cc(cc1Br)C#N,1,1,1,0,1,1,1
6 Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,1,1,1,1,0,1,1
7 Oc1ccc(cc1)c2ccccc2,1,1,0,1,1,1,1
8 CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,1,1,0,1,0,1,1
9 CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(=O)C,1,1,1,1,0,0,1
10 CC(=O)OCC(=O)C12N=C(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC23C,1,1,1,1,0,0,1
11 CC(C)(C)C(=O)OCOC(=O)C1N2C(CC2=O)S(=O)(=O)C1(C)C,1,1,1,0,0,1,1
12 CC(C)(c1cc(Cl)c(O)c(Cl)c1)c2cc(Cl)c(O)c(Cl)c2,0,1,1,0,1,1,1
13 CC1(C)OC2CC3C4CC(F)C5=CC(=O)CCC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,0,0,1
14 CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,0,0,1
15 CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C,1,1,1,0,1,0,1
16 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,1,1,1,1,0,0,1
17 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)C)C(=O)COC(=O)C,1,1,1,1,0,0,1
18 CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14,1,1,1,1,0,0,1
19 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,1,1,1,1,0,0,1
20 CCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CCl,1,1,1,1,0,0,1
21 CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO,1,1,1,1,0,0,1
22 CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,1,1,0,1,0,1,1
23 CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccccc2)cc1,1,1,0,1,1,0,1
24 O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3,1,1,0,1,1,0,1
25 SCC(=O)OCCOC(=O)CS,1,0,1,1,1,0,1
26 C(CSc1ccccc1)Sc2ccccc2,1,1,0,1,0,0,1
27 CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,0,1,0,1,0,1
28 CC12CCC3C(CCC4=C(O)C(=O)CCC34C)C1CCC2=O,1,1,0,1,0,0,1
29 CCn1c2ccccc2c3cc(ccc13)[N+](=O)[O-],1,0,1,0,0,1,1
30 COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)c3ccccc3,1,1,0,0,1,0,1
31 Cc1ccc(O)c(c1)n2nc3ccccc3n2,1,1,0,1,0,0,1
32 NNc1ccc(cc1)C(=O)O,1,1,0,1,0,0,1
33 Nc1c2CCCCc2nc3ccccc13,1,1,0,0,1,0,1
34 Nc1ccc2ccccc2c1,1,1,0,1,0,0,1
35 Oc1ccc(cc1)C(=O)Oc2ccccc2,1,1,0,1,0,0,1
36 [O-][N+](=Nc1ccccc1)c2ccccc2,1,1,0,1,0,0,1
37 c1ccc(cc1)c2ccc(cc2)c3ccccc3,1,1,0,1,0,0,1
38 o1cccc1c2nc3ccccc3[nH]2,1,1,0,1,0,0,1
39 CCOC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,1,1,0,0,0,0,1
40 Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc2ccc(O)c3CCCc23,0,0,0,1,1,0,1
41 FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O,1,0,0,0,0,1,1
42 c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,1,0,1,0,0,0,1
43 CC(=O)CC(C1=C(O)Oc2ccccc2C1=O)c3ccccc3,0,0,0,0,0,1,1
44 CC(=O)Oc1ccc(cc1CCl)[N+](=O)[O-],0,1,0,0,0,0,1
45 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N,0,0,0,1,0,0,1
46 CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1,0,0,0,0,0,1,1
47 CC(C)CC(C)CC(C)CC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC(C)CC(C)CC(C)C,1,0,0,0,0,0,1
48 CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O,0,0,1,0,0,0,1
49 CC1=CC(=O)Oc2c(C)c3oc(C)cc3cc12,0,1,0,0,0,0,1
50 CC1=CC(C)(C)Nc2ccccc12,0,0,0,0,1,0,1
51 CCC(=O)OCCC(C)CCC=C(C)C,0,1,0,0,0,0,1
52 CCCCCC1=CC=CC(=O)O1,0,0,0,0,0,1,1
53 CCCCCC=CCC=CCCCCCCCC(=O)OCC,0,0,0,0,0,1,1
54 CCCCCCCCCOCC1CO1,0,0,0,1,0,0,1
55 CCCNC(C)(C)COC(=O)c1ccccc1,0,0,0,0,0,1,1
56 CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2,0,0,0,0,1,0,1
57 CCOC(=O)C(C)(N)Cc1ccc(O)c(O)c1,0,0,0,1,0,0,1
58 CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,1,0,0,0,0,0,1
59 COC1C(OC(=O)N)C(O)C(Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C,0,0,0,0,0,1,1
60 COc1c2OC(=O)C=Cc2cc3ccoc13,0,0,0,1,0,0,1
61 COc1ccc(cc1)S(=O)(=O)Nc2nnc(CC(C)C)s2,0,0,0,0,0,1,1
62 Cc1nc(oc1COC(C)(C)C(=O)O)c2ccc(Cl)cc2,0,0,0,0,0,1,1
63 FC(Cl)(Cl)Cl,1,0,0,0,0,0,1
64 Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-],0,0,0,1,0,0,1
65 Nc1ccc(Oc2ccc(N)cc2)cc1,0,0,0,1,0,0,1
66 O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1,0,1,0,0,0,0,1
67 OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3,0,0,0,0,0,1,1
68 OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,0,0,0,0,0,1,1
69 OC(=O)Cc1ccc(cc1)c2ccccc2,0,0,0,0,0,1,1
70 OC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F,0,0,0,1,0,0,1
71 Oc1cccc2ccccc12,0,1,0,0,0,0,1
72 Oc1nc2ccccc2n1C3=CCN(CCCC(=O)c4ccc(F)cc4)CC3,0,1,0,0,0,0,1
73 [O-][N+](=O)c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,1,0,0,0,0,0,1
74 [O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0,1,0,0,0,0,1
75 CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2,1,1,1,1,1,1,1
76 COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O,1,1,1,1,1,1,1
77 Nc1ccc2cc3ccc(N)cc3nc2c1,1,1,1,1,1,1,1
78 Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3,1,1,1,1,1,1,1
79 OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl,1,1,1,1,1,1,1
80 Oc1ccc(cc1)C(=C(Cl)Cl)c2ccc(O)cc2,1,1,1,1,1,1,1
81 c1csc(c1)c2ccc(s2)c3cccs3,1,1,1,1,1,1,1
82 CC(=C)C(=O)Nc1ccc(Cl)c(Cl)c1,1,1,0,1,1,1,1
83 CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,1,1,1,1,0,1,1
84 CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,1,1,1,0,1,1,1
85 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O,1,1,1,1,1,0,1
86 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O,1,1,1,1,1,0,1
87 CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O,1,1,1,1,1,0,1
88 CC1CC2C(CCC3(C)C2CCC3(OC(=O)C)C(=O)C)C4(C)CCC(=O)C=C14,1,1,1,1,1,0,1
89 CC1CC2C3CC(F)C4=CC(=O)C(=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO)Cl,1,1,1,1,1,0,1
90 CC1SC2=C(C(=O)O)C(=O)c3cc(F)c(cc3N12)N4CCN(CC5=C(C)OC(=O)O5)CC4,1,1,1,1,1,0,1
91 CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,1,0,1
92 COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,1,1,1,1,1,0,1
93 COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,1,1,0,1,1,1,1
94 COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1,1,1,1,1,1,0,1
95 Clc1ccc2N(CC3CC3)C(=O)CN=C(c4ccccc4)c2c1,1,1,1,0,1,1,1
96 Nc1nc2ccc(OC(F)(F)F)cc2s1,1,1,1,1,1,0,1
97 O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3,1,1,0,1,1,1,1
98 O=C1CCCc2c1cc3ccc4cccc5ccc2c3c45,1,1,1,1,0,1,1
99 CC(=O)Nc1ccc2c(Cc3ccccc23)c1,1,1,1,1,0,0,1
100 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,1,1,1,0,0,1
101 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C,1,1,1,1,0,0,1
102 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C,1,1,1,1,0,0,1
103 CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O,1,1,0,1,1,0,1
104 CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c2ccc(F)cc2,1,0,1,0,1,1,1
105 CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,0,0,1
106 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)OCOC(=O)C4N5C(CC5=O)S(=O)(=O)C4(C)C,1,1,1,0,0,1,1
107 CC1(Cn2ccnn2)C(N3C(CC3=O)S1(=O)=O)C(=O)O,1,1,1,0,0,1,1
108 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,1,0,1,0,1
109 CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(O)CC=C,1,1,1,0,1,0,1
110 CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)CO,1,1,1,1,0,0,1
111 CC12CC(O)C3(F)C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO,1,1,1,1,0,0,1
112 CC12CC(O)C3C(CC(F)C4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,1,1,1,1,0,0,1
113 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,1,1,1,1,0,0,1
114 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23,1,1,1,1,0,0,1
115 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)CCC(=O)O)C4(C)CC(O)C23,1,1,1,1,0,0,1
116 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2O,1,1,1,1,0,0,1
117 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,1,1,1,0,1,0,1
118 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O,1,1,1,0,1,0,1
119 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2(O)C#C,1,1,1,0,1,0,1
120 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O,1,1,1,1,0,0,1
121 CC1=C(C)S(=O)(=O)CCS1(=O)=O,1,0,0,1,1,1,1
122 CC1CC2C3CCC(C(=O)C)C3(C)CC(O)C2C4(C)CCC(=O)C=C14,1,1,1,1,0,0,1
123 CC1CC2C3CCC(O)(C(=O)C)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14,1,1,1,1,0,0,1
124 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C,1,1,1,1,0,0,1
125 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O,1,1,1,1,0,0,1
126 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,1,1,1,1,0,0,1
127 CCC(=O)OC1(C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)SCF,1,1,1,1,0,0,1
128 CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,1,1,0,0,1
129 CCC(Cl)CC(Cl)C(Cl)C(Cl)C(Cl)C(C)Cl,1,1,0,1,1,0,1
130 CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(O)C#C,1,1,1,0,1,0,1
131 CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1O,1,1,1,0,1,0,1
132 CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13)OC(=O)CCC,1,1,1,0,1,0,1
133 CCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO,1,1,1,1,0,0,1
134 CCCCCCCCCCCCCCCCCCOCC(O)CO,1,1,1,1,0,0,1
135 CCCCCCCCCCCCCCCCn1cc[n+](C)c1,1,1,0,1,1,0,1
136 CCCCCCCCCCCCn1cc[n+](C)c1,1,1,0,1,1,0,1
137 CCCCOC(=O)c1ccc(O)cc1,1,1,0,1,0,1,1
138 CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],1,1,0,0,1,1,1
139 CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4)N(C)C,1,1,1,0,0,1,1
140 COC(=O)C1(C)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C,1,1,1,1,0,0,1
141 CON(C)C(=O)Nc1ccc(Br)c(Cl)c1,1,1,0,1,1,0,1
142 CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,1,1,0,1,1,0,1
143 COc1ccc(C=CS(=O)(=O)NC(=O)c2ccc(C)cc2Cl)cc1,1,1,1,0,0,1,1
144 Clc1ccc(cc1)N=C=O,1,1,1,1,0,0,1
145 Clc1ccccc1c2onc(n2)c3ccncc3,1,1,1,1,0,0,1
146 Cn1cnc(c1Sc2[nH]cnc3ncnc23)[N+](=O)[O-],1,1,1,1,0,0,1
147 NC(=O)N(O)C1COc2cc(OCc3ccccc3)ccc12,1,1,0,1,1,0,1
148 NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,0,1,1,0,1,1,1
149 O=C1C=C(Oc2ccccc12)c3ccccc3,1,1,1,1,0,0,1
150 Oc1c(ccc2ccccc12)C(=O)Oc3ccccc3,1,1,0,1,1,0,1
151 Oc1cccc(Nc2ccccc2)c1,1,1,0,1,0,1,1
152 c1ccc2cc3c(ccc4ccccc34)cc2c1,1,1,0,1,1,0,1
153 CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O,1,0,1,1,0,0,1
154 CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],1,1,0,0,1,0,1
155 CC(C)CCOC(=O)c1ccc(cc1)N(C)C,1,1,0,1,0,0,1
156 CC(C)c1ccc(NC(=O)N(C)C)cc1,1,1,0,1,0,0,1
157 CC(C)c1ccc2Sc3ccccc3C(=O)c2c1,1,1,0,1,0,0,1
158 CC(COc1ccc(Oc2ccccc2)cc1)Oc3ccccn3,1,1,0,1,0,0,1
159 CC1(C)NC(=O)N(C1=O)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-],1,1,0,0,1,0,1
160 CC12CCC3C(CCC45OC4C(=C(CC35C)C#N)O)C1CCC2O,1,0,1,1,0,0,1
161 CC1=C(SCCO1)C(=O)Nc2ccccc2,1,1,0,1,0,0,1
162 CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,0,1,1,0,0,1,1
163 CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC,1,0,1,1,0,0,1
164 CCCCCCn1cc[n+](C)c1,1,1,0,0,1,0,1
165 CCOC(=O)c1ccc(cc1)N(C)C,1,1,0,1,0,0,1
166 CCc1cccc(C)c1N(C(C)COC)C(=O)CCl,1,0,0,1,0,1,1
167 CN1C(=O)C=C(Oc2ccc(F)cc2F)c3cnc(NCC(C)(C)O)nc13,1,1,0,0,0,1,1
168 CN1CCN(CC1)c2cc3N(C)c4ccccc4Oc3nn2,1,1,0,1,0,0,1
169 CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F,1,1,0,1,0,0,1
170 COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,1,1,0,1,0,0,1
171 COC1=CC(=O)OC(=C1)C=Cc2ccccc2,1,1,0,1,0,0,1
172 COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,1,1,0,1,0,0,1
173 COc1ccc2cc(CCC(=O)C)ccc2c1,1,1,0,1,0,0,1
174 COc1ccc2nc(N)sc2c1,1,1,0,1,0,0,1
175 Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1,0,1,1,0,0,1,1
176 Fc1ccc(cc1)N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2,1,1,0,0,1,0,1
177 Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2,1,1,0,1,0,0,1
178 NC(=N)N=C(N)NCCc1ccccc1,1,1,0,0,1,0,1
179 NC(=O)Nc1ccc(Cl)c(Cl)c1,0,1,1,0,1,0,1
180 NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,0,0,0,1,1,1,1
181 NNCCc1ccccc1,1,1,0,1,0,0,1
182 NNc1nncc2ccccc12,1,1,0,1,0,0,1
183 Nc1ccc(cc1)c2ccc(N)cc2,1,1,0,1,0,0,1
184 Nc1ccc(cc1)c2ccccc2,1,1,0,1,0,0,1
185 O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O,0,1,1,0,0,1,1
186 O=C(CC(=O)c1ccccc1)c2ccccc2,1,1,0,1,0,0,1
187 O=C(Nc1ccccc1)Nc2ccccc2,1,1,0,1,0,0,1
188 O=C(OCCc1ccccc1)C=Cc2ccccc2,1,1,0,1,0,0,1
189 O=C(OCCc1ccccc1)c2ccccc2,1,1,0,1,0,0,1
190 c1ccc(cc1)c2cccc(c2)c3ccccc3,1,1,0,1,0,0,1
191 c1ccc2[nH]c(nc2c1)c3cscn3,1,1,0,1,0,0,1
192 C(COCC1CO1)OCC2CO2,0,0,0,1,1,0,1
193 C(c1ccccc1)[n+]2cccc3ccccc23,1,1,0,0,0,0,1
194 CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,0,1,0,1,0,0,1
195 CC(C)COC(=O)c1ccc(N)cc1,1,1,0,0,0,0,1
196 CC(C)c1ccc2cc(ccc2c1)C(C)C,0,1,0,1,0,0,1
197 CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3,1,0,0,0,1,0,1
198 CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,1,0,1,0,0,0,1
199 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23,1,0,1,0,0,0,1
200 CC1CCCC1,0,0,1,0,0,1,1
201 CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34,1,1,0,0,0,0,1
202 CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2,0,1,0,0,1,0,1
203 CCCC1CCCC(=O)O1,0,0,0,1,0,1,1
204 CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2,0,1,0,1,0,0,1
205 CCCCCC=CCC=CCCCCCCCC(=O)O,0,0,1,0,0,1,1
206 CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,1,1,0,0,0,0,1
207 CCCCOc1ccc(CC(=O)NO)cc1,1,1,0,0,0,0,1
208 CCCOC(=O)c1ccc(N)cc1,1,1,0,0,0,0,1
209 CCOC(=O)c1ccc(O)cc1,0,1,0,1,0,0,1
210 CCOP(=S)(OCC)Oc1cc(on1)c2ccccc2,1,1,0,0,0,0,1
211 CCOc1ccccc1OCCNC(C)Cc2ccc(OC)c(c2)S(=O)(=O)N,1,0,1,0,0,0,1
212 CCOc1nc(F)cc2nc(nn12)S(=O)(=O)Nc3c(Cl)cccc3Cl,0,0,0,1,0,1,1
213 CN1C(=O)N(C(=O)C=C1C(F)(F)F)c2ccc(Cl)c(c2)C(=O)OC(C)(C)C(=O)OCC=C,1,1,0,0,0,0,1
214 CN1C=C(C(=O)C(=C1)c2cccc(c2)C(F)(F)F)c3ccccc3,1,0,0,0,1,0,1
215 CN1CC(=O)N=C1NC(=O)Nc2cccc(Cl)c2,0,1,0,1,0,0,1
216 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)c(C=NN5CCN(C)CC5)c(O)c4c3C2=O,1,0,1,0,0,0,1
217 COc1c2C=CC(=O)Oc2cc3occc13,0,1,0,1,0,0,1
218 COc1ccc(cc1)n2nc(cc2c3ccc(cc3)S(=O)C)C(F)F,0,1,0,0,1,0,1
219 CSc1ccc(cc1)C(=O)c2[nH]c(O)nc2C,1,0,1,0,0,0,1
220 Cc1cc(ccc1N)c2ccc(N)c(C)c2,1,1,0,0,0,0,1
221 Clc1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1,1,1,0,0,0,0,1
222 Clc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2,1,1,0,0,0,0,1
223 Clc1ccc(cc1)S(=O)(=O)c2ccccc2,1,1,0,0,0,0,1
224 Clc1ccccc1c2nnc(nn2)c3ccccc3Cl,0,1,0,1,0,0,1
225 Clc1nc(Cl)c(Cl)c(Cl)c1Cl,0,1,1,0,0,0,1
226 IC#CCCCCCCCCC(=O)Oc1ccccc1,0,0,0,0,1,1,1
227 Nc1ccc(Cl)cc1,0,1,0,0,0,1,1
228 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,1,0,1,0,0,1
229 OC(=O)CCCCCCNC1c2ccccc2CCc3ccccc13,0,0,0,1,1,0,1
230 OC(=O)CN1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c3ccc(Cl)cc13,0,0,1,0,0,1,1
231 OC(c1ccc(F)cc1)(c2cncnc2)c3ccccc3Cl,0,1,0,1,0,0,1
232 ONc1ccccc1,0,1,0,1,0,0,1
233 Oc1ccc(Cl)c(Cl)c1Cl,1,1,0,0,0,0,1
234 c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,0,1,0,1,0,0,1
235 c1ccc2cc3ccccc3cc2c1,0,1,0,1,0,0,1
236 C(CNCc1ccccc1)NCc2ccccc2,0,0,0,0,1,0,1
237 C(Cc1ccncc1)Cc2ccncc2,0,0,0,1,0,0,1
238 C1CCCNCC1,0,0,0,1,0,0,1
239 C1CN2CC(N=C2S1)c3ccccc3,0,1,0,0,0,0,1
240 CC(=O)CC(C1=C(O)Oc2ccccc2C1=O)c3ccc(Cl)cc3,0,0,0,0,0,1,1
241 CC(=O)CC(C1=C(O)Oc2ccccc2C1=O)c3ccc(cc3)[N+](=O)[O-],0,0,0,0,0,1,1
242 CC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc3cccs3)C2=O)C(=O)O,0,1,0,0,0,0,1
243 CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,0,0,1,0,0,0,1
244 CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)C3CC3)c4ccccc4F,0,0,1,0,0,0,1
245 CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2,0,0,0,0,0,1,1
246 CC(C(=O)O)c1cccc(Oc2ccccc2)c1,0,0,0,0,0,1,1
247 CC(C)(C(=O)c1cccnc1)c2cccnc2,0,0,0,1,0,0,1
248 CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O,1,0,0,0,0,0,1
249 CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C,1,0,0,0,0,0,1
250 CC(C)(C1CCC(O)CC1)C2CCC(O)CC2,0,1,0,0,0,0,1
251 CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc2c3CCCc3cc4CCCc24,0,1,0,0,0,0,1
252 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,0,0,0,0,0,1,1
253 CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O,0,0,0,0,0,1,1
254 CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3,0,0,0,0,1,0,1
255 CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,0,1,0,0,0,0,1
256 CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,1,0,0,0,0,0,1
257 CC(C)CCOC(=O)C=Cc1ccccc1,0,1,0,0,0,0,1
258 CC(C)Cc1ccc(CC(=O)O)cc1,0,0,0,0,0,1,1
259 CC(C)OC(=O)C,0,0,0,1,0,0,1
260 CC(C)OC(=O)OCOP(=O)(COC(C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C,0,0,0,0,1,0,1
261 CC(CCOC(=O)C)CC(C)(C)C,0,0,0,0,1,0,1
262 CC(O)C1C2C(C)C(=C(N2C1=O)C(=O)O)SC3CNC(CNS(=O)(=O)N)C3,0,0,0,0,1,0,1
263 CC(O)C1C2SC(=C(N2C1=O)C(=O)O)C3CCCO3,0,0,1,0,0,0,1
264 CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,0,0,0,0,0,1,1
265 CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3,1,0,0,0,0,0,1
266 CC12CCCC1C3CCC4CC(O)CCC4(C)C3CC2,0,1,0,0,0,0,1
267 CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCCC5=N1,0,1,0,0,0,0,1
268 CC1=NN(C(=O)C1)c2ccccc2,0,0,0,0,0,1,1
269 CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C,0,0,0,0,1,0,1
270 CC1CN(CC(C)N1)c2c(F)c(F)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O,1,0,0,0,0,0,1
271 CC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O,0,1,0,0,0,0,1
272 CC=CC=CC=O,1,0,0,0,0,0,1
273 CCC(C)(C)OC,0,1,0,0,0,0,1
274 CCC(C)(C)c1ccc(O)cc1,0,1,0,0,0,0,1
275 CCC1CC(N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)C)c3cc(ccc3N1C(=O)OC(C)C)C(F)(F)F,1,0,0,0,0,0,1
276 CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(c1)C(=O)OCC(CC)CCCC,1,0,0,0,0,0,1
277 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5,0,0,0,0,0,1,1
278 CCCCCC(=Cc1ccccc1)C=O,0,0,0,0,1,0,1
279 CCCCCCC(O)CCCCCCCCCCC(=O)O,0,0,0,0,0,1,1
280 CCCCCCCCC=CCCCCCCCC(=O)O,0,0,0,0,0,1,1
281 CCCCCCCCCCCCCCCCOS(=O)(=O)O,0,0,0,0,1,0,1
282 CCCCCCCCCCCCOS(=O)(=O)O,0,0,0,0,1,0,1
283 CCCCCCCCCCOS(=O)(=O)O,0,0,0,0,0,1,1
284 CCCCCCCCCOS(=O)(=O)O,0,0,0,0,0,1,1
285 CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,0,1,0,0,0,0,1
286 CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,0,0,0,1,0,1
287 CCCCNc1ccc(cc1)C(=O)OCCN(CC)CC,0,0,0,0,1,0,1
288 CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC,0,0,0,0,1,0,1
289 CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,0,1,0,0,0,0,1
290 CCCCOCCOCCSC#N,0,0,0,0,0,1,1
291 CCCC[P+](CC)(CCCC)CCCC,1,0,0,0,0,0,1
292 CCCC[P+](CCCC)(CCCC)CCCC,1,0,0,0,0,0,1
293 CCCOC(=O)c1ccc(nc1)C(=O)OCCC,0,0,0,1,0,0,1
294 CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,0,0,0,0,0,1,1
295 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2,0,0,0,1,0,0,1
296 CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCCC3,0,1,0,0,0,0,1
297 CCNC(=O)NC(=O)C(=NOC)C#N,0,0,1,0,0,0,1
298 CCOC(=O)C(=C)C#N,0,0,0,1,0,0,1
299 CCOC(Cc1ccc(OCCc2ccc(OS(=O)(=O)C)cc2)cc1)C(=O)O,0,0,0,0,0,1,1
300 CCOc1ccc(C=CC)cc1O,0,1,0,0,0,0,1
301 CCOc1ccc2ccccc2c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O,0,0,1,0,0,0,1
302 CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0,1,0,0,0,0,1
303 CC[N+]1(CC)CCC(=C(c2ccccc2)c3ccccc3)C1C,1,0,0,0,0,0,1
304 CN1CCCN=C1C=Cc2cccs2,0,1,0,0,0,0,1
305 CNC(=O)ON=C(CSC)C(C)(C)C,0,0,0,0,1,0,1
306 CNc1[nH]cnc2ncnc12,0,0,0,1,0,0,1
307 COC(=O)C1=CCCN(C)C1,1,0,0,0,0,0,1
308 COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,0,1,0,0,0,0,1
309 COC(C)(C)CCCC(C)CC=CC(=CC(=O)OC(C)C)C,0,0,1,0,0,0,1
310 COC1CC(=C(c2cccs2)c3cccs3)C[N+](C)(C)C1,1,0,0,0,0,0,1
311 COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,0,1,0,0,0,0,1
312 COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N,1,0,0,0,0,0,1
313 COc1cc(C)nc(n1)n2nc(C)cc2OC,1,0,0,0,0,0,1
314 COc1cc(C=O)ccc1O,0,1,0,0,0,0,1
315 COc1cc(C=O)ccc1OC(=O)C(C)C,0,1,0,0,0,0,1
316 COc1cc(CCC(=O)C)ccc1O,0,1,0,0,0,0,1
317 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3,0,1,0,0,0,0,1
318 COc1ccc(C(=O)c2ccccc2)c(O)c1,0,1,0,0,0,0,1
319 COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3,0,0,0,0,0,1,1
320 COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,0,1,0,0,0,0,1
321 CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],0,0,0,0,0,1,1
322 CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-],0,0,0,0,0,1,1
323 CSc1ccc(cc1)C(=O)C(C)(C)N2CCOCC2,0,1,0,0,0,0,1
324 Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3,0,0,0,1,0,0,1
325 Cc1ccc2OCC(=O)COc2c1,0,0,0,1,0,0,1
326 Cc1cccc2sc3nncn3c12,0,0,1,0,0,0,1
327 Cc1ccccc1N2CCN(CCc3nnc4CCCCn34)CC2,0,1,0,0,0,0,1
328 Cc1onc(c2ccccc2Cl)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O,0,0,1,0,0,0,1
329 ClC(=O)OCCOCCOC(=O)Cl,0,0,0,0,1,0,1
330 ClCC=C,0,1,0,0,0,0,1
331 Clc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1,1,0,0,0,0,0,1
332 Clc1cccc(c1)N2CCNCC2,0,0,0,0,1,0,1
333 Cn1c(CCCC(=O)O)nc2cc(ccc12)N(CCCl)CCCl,0,0,0,0,1,0,1
334 FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(cc2)C#N,1,0,0,0,0,0,1
335 FC(F)(F)c1ccccc1n2ccnc2,0,0,0,1,0,0,1
336 Fc1ccc2OCCC3(NC(=O)NC3=O)c2c1,1,0,0,0,0,0,1
337 N#Cc1cscn1,0,0,0,0,0,1,1
338 NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N,0,0,0,1,0,0,1
339 NC1=NCC2N1c3ccccc3Cc4ccccc24,0,0,0,0,1,0,1
340 NCC(=O)CCC(=O)O,0,0,0,0,1,0,1
341 NNC(=O)N,0,0,1,0,0,0,1
342 Nc1c(CC(=O)O)cccc1C(=O)c2ccc(Br)cc2,0,0,0,0,0,1,1
343 Nc1ccc(N)c(c1)[N+](=O)[O-],0,0,1,0,0,0,1
344 Nc1ccc(cc1N)c2ccc(N)c(N)c2,0,0,0,1,0,0,1
345 Nc1cccc2C(=O)NNC(=O)c12,0,1,0,0,0,0,1
346 O1c2ccccc2Sc3ccccc13,0,0,1,0,0,0,1
347 O=C1c2ccccc2C(=O)c3ccccc13,0,1,0,0,0,0,1
348 OC(=O)C(Cc1cc(I)c(O)c(I)c1)c2ccccc2,0,0,0,0,0,1,1
349 OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,0,0,0,0,1,0,1
350 OC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,0,0,0,0,0,1,1
351 OC(=O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,1,0,1
352 OC(=O)Cc1c(Cl)ccc(Cl)c1Cl,0,0,0,0,0,1,1
353 OC(=O)Cc1cccc2ccccc12,0,0,0,0,0,1,1
354 OC(=O)P(=O)(O)O,0,1,0,0,0,0,1
355 OC(=O)c1c2ccccc2cc3ccccc13,0,0,0,0,0,1,1
356 OC[P+](CO)(CO)CO,0,0,0,0,0,1,1
357 OCc1cccc(Oc2ccccc2)c1,0,1,0,0,0,0,1
358 OS(=O)(=O)c1ccccc1C=O,0,0,0,0,1,0,1
359 OS(=O)OCC1OC(OC2(COS(=O)O)OC(COS(=O)O)C(OS(=O)O)C2OS(=O)O)C(OS(=O)O)C(OS(=O)O)C1OS(=O)O,0,1,0,0,0,0,1
360 Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23,0,1,0,0,0,0,1
361 Oc1ccc(cc1)[N+](=O)[O-],0,1,0,0,0,0,1
362 Oc1ccc2ccccc2c1,0,1,0,0,0,0,1
363 Oc1ccccc1C#N,0,1,0,0,0,0,1
364 Oc1cn2Cc3c(Cl)c(Cl)ccc3Nc2n1,0,0,1,0,0,0,1
365 [O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,1,0,0,0,0,0,1
366 c1ccc2c(c1)c3cccc4cccc2c34,0,1,0,0,0,0,1
367 CC(=C)C(=O)OCC[N+](C)(C)C,0,0,0,0,,1,1
368 CC(C)Cc1ccccc1,0,0,0,0,0,0,0
369 CC(C)N=C=NC(C)C,0,,0,0,0,0,0
370 CCOc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C,0,,0,0,,,0
371 CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C23OO4,1,1,,,,,1
372 Oc1ccccc1Cl,0,0,0,0,0,0,0
373 CCOC(=O)CCCCCCCCC(=O)OCC,0,0,0,0,0,0,0
374 COc1ccc2ccccc2c1,,0,,0,0,0,0
375 CN(C)c1ccc(cc1)N(C)C,1,1,,,,,1
376 CCCC=CC=O,0,0,0,0,0,0,0
377 CCCCCC(C)O,0,0,0,0,0,0,0
378 OC(=O)c1ccccc1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c(O)c(I)cc24)I,1,,0,,,0,1
379 Nc1ccc(cc1)N=Nc2ccc(N)cc2,,0,0,,,,0
380 NCCNC(=O)c1ccc(Cl)cn1,0,0,0,0,0,0,0
381 N#Cc1cccc(c1)C#N,0,0,0,0,0,0,0
382 CC(=O)OCCOC(=O)C,0,0,0,0,0,0,0
383 CCC1(O)CCC2C3CCC4=CCCCC4C3CCC12C,1,1,,,1,,1
384 Nc1nc2ccccc2s1,,0,0,1,0,0,1
385 CN1CC2C(C1)c3cc(Cl)ccc3Oc4ccccc24,0,0,0,0,,0,0
386 CCOC(=O)COc1ccc2CCC(Cc2c1)NCC(O)c3cccc(Cl)c3,1,,0,,,,1
387 OCCN1CCN(CCC=C2c3ccccc3Sc4ccc(Cl)cc24)CC1,0,,0,0,,,0
388 Cc1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4Cl)[N+](=O)[O-],,1,1,1,,1,1
389 CC(C)CCCC(C)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C,1,1,,0,,,1
390 CCN(CC)CCOC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1,0,,0,0,1,,1
391 O=C1CCCCC1,0,0,0,0,0,0,0
392 NCCS,0,0,0,0,0,0,0
393 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,1,1,,1,,0,1
394 COc1cc(CCN)c(OC)cc1Br,0,0,0,,,0,0
395 CCCCSP(=O)(SCCCC)SCCCC,0,0,0,0,0,0,0
396 CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0,0,0,0,0,0,0
397 ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,,1,,,,,1
398 COc1cc(cc(OC)c1OC)C(=O)NC2CCCNC2,0,0,0,0,0,0,0
399 CC(=O)Nc1cccc(C)c1,0,0,0,0,0,0,0
400 Cc1cc(C)c(N)cc1C,,,0,0,0,0,0
401 CCC(=O)c1cccc(Cl)c1,0,0,0,0,0,0,0
402 CC1CC(OC(=O)C)OC(C)O1,0,0,0,0,0,0,0
403 CCC1(C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O)c3ccccc3,,,0,0,0,,0
404 COc1ccc(c(OC)c1)S(=O)(=O)N2C(=O)C(N3CC(O)CC3C(=O)N(C)C)(c4ccccc4OC)c5cc(Cl)ccc25,1,1,,,,,1
405 CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,0,0,0,0,0,0,0
406 OP(=O)(O)CCCl,0,0,0,0,0,0,0
407 CC1OC(OCC2OC(OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0
408 FC(F)(F)C1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3,1,1,,,,,1
409 CNC(=O)ON=CC(C)(C)S(=O)C,0,0,0,0,0,0,0
410 Cc1ccccc1CCO,0,0,0,0,0,0,0
411 OCCSSCCO,0,0,0,0,0,0,0
412 Oc1ccc(cc1O)C2CNCc3c(O)c(O)ccc23,0,0,0,0,,0,0
413 CC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0
414 CC(C)(C)OOC(=O)c1ccccc1,0,0,0,0,0,0,0
415 NCCNCCNCCN,0,0,0,0,0,0,0
416 CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0
417 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2,0,0,0,0,0,,0
418 CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,,1,,,1
419 COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I,0,0,0,0,0,0,0
420 Cc1cc(C)c(C)c(O)c1,0,,0,0,0,0,0
421 CS(=O)(=O)NC(=O)CCCC=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O,0,1,,0,0,,1
422 COC(C)(OC)OC,0,0,0,0,0,0,0
423 CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13,0,0,0,0,,0,0
424 CC1CCC(C(=O)C1)C(C)(C)S,0,0,0,0,0,0,0
425 OCC(Cl)CCl,0,0,0,0,0,0,0
426 Cc1ncsc1CCCl,0,0,0,0,0,0,0
427 Oc1c(Cl)cc(Cl)c(Cl)c1Cl,,1,,1,1,1,1
428 OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,0,0,0,0,0,0,0
429 CCc1ccc(cc1)S(=O)(=O)O,0,1,0,0,,,1
430 CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,1,0,0,0,,0,1
431 COc1cc(O)cc(O)c1,,,0,0,0,0,0
432 Cc1ccc(cc1)S(=O)(=O)N=C=O,0,0,0,0,0,0,0
433 CNC(=O)Oc1ccccc1OC(C)C,0,0,0,0,0,0,0
434 CC1=CC(=O)Oc2cc(O)ccc12,0,0,,0,0,,0
435 Cc1nc2ccccc2n1Cc3ccc(Cl)cc3,,1,1,0,1,,1
436 COc1ccc(Nc2ccc(OC)cc2)cc1,1,1,0,1,,,1
437 O=C1CCC(=NN1)c2ccc(cc2)n3ccnc3,0,,1,1,0,,1
438 NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1OC3OC(CO)C(O)C(N)C3O,0,,0,0,0,,0
439 CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(NS(=O)(=O)C)ccc4[nH]3,,0,,0,,0,0
440 CC(O)c1nccc(n1)N2C(C)CN(CC2C)c3nc(C)nc(C)n3,,0,0,,0,0,0
441 CCCCCC(=O)CC,,0,0,0,0,0,0
442 CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,0,0,0,0,0,0,0
443 CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC12C,1,1,1,1,0,,1
444 Nc1ccc2cc(cc(O)c2c1N=Nc3ccccc3C(F)(F)F)S(=O)(=O)O,0,0,0,0,,0,0
445 CC1(C)C2CCC1(C)C(=O)C2=O,0,0,0,0,0,0,0
446 CC(=O)C=Cc1occc1,0,0,0,0,0,0,0
447 C[N+]1(CCC(C(=O)N)(c2ccccc2)c3ccccc3)CCCCC1,0,0,0,0,0,0,0
448 CC(C)(C)N,0,0,0,0,0,0,0
449 CCCCCCCCC=CCCCCCCCCCCCC(=O)O,,0,,,0,1,1
450 NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O,0,0,0,0,0,0,0
451 N#Cc1cccnc1,0,0,0,0,0,0,0
452 CC(CN1CCCC1)C(=O)c2ccc(cc2)C(F)(F)F,,0,0,1,,0,1
453 C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3,,,0,0,,0,0
454 CCCCCC=CCC(=O)OC,0,0,0,0,,0,0
455 BrCC(=O)OCc1ccccc1,0,,0,0,0,,0
456 CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C)C,,1,,,,,1
457 COC(=O)CCCC(=O)OC,0,0,0,0,0,0,0
458 Cc1ccc(O)c(O)c1,,1,,,,0,1
459 CCCC1(CCc2ccccc2)CC(=O)C(=C(O)O1)C(CC)c3cccc(NS(=O)(=O)c4ccc(cn4)C(F)(F)F)c3,0,,1,0,1,,1
460 Cc1cc(O)c(cn1)C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5,0,,0,0,0,,0
461 c1ccc2cc3c(cc2c1)c4cccc5cccc3c45,1,1,1,,0,1,1
462 CN1CCN(CCCN2c3ccccc3Sc4ccccc24)CC1,0,,0,,,,0
463 COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)OCCN3CCOCC3,,1,,1,,1,1
464 c1ccc2c(c1)ccc3ncccc23,1,1,,0,0,0,1
465 CC(C)c1ccc(C=O)cc1,0,0,0,0,0,0,0
466 C(=C(c1ccccc1)c2ccccc2)c3ccccc3,,1,,0,0,,1
467 OC1COC(Nc2ccc(cc2)C(=O)O)C(O)C1O,0,,0,,0,,0
468 CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl,1,1,0,,,,1
469 Nc1nc(NC2CC2)c3ncn(C4CC(CO)C=C4)c3n1,1,1,0,1,0,,1
470 CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C,1,,1,1,,1,1
471 Nc1cc(ccc1Cl)C(=O)O,0,0,,0,0,0,0
472 COC(=O)c1cc(Cl)ccc1[N+](=O)[O-],0,0,0,0,,0,0
473 CCOC(=O)C(C)(C)C,0,,0,0,0,0,0
474 COc1ccccc1N,0,0,0,0,0,0,0
475 CCc1cc2cc(OC)c(OC)cc2c(Cc3ccccc3)n1,,1,,,,,1
476 OC(=O)CC(=O)O,0,0,0,0,0,0,0
477 C(c1occc1)n2cccc2,0,0,0,0,0,0,0
478 CC(CS)C1CCC(C)C(S)C1,0,0,,0,0,0,0
479 CC1CC(C)C(=O)C1=O,0,0,0,0,0,0,0
480 CN1c2ccccc2C(NCCCCCCC(=O)O)c3ccc(Cl)cc3S1(=O)=O,,,0,0,0,,0
481 COc1ccccc1NC(=O)CC(=O)C,0,0,0,0,0,0,0
482 CCCCCCCCOC(=O)C,0,0,0,0,0,0,0
483 CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,,1,,1,,0,1
484 ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,,1,,,,,1
485 CC(=O)c1ccc(O)cc1,0,,0,0,0,0,0
486 CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1,1,1,,1,,,1
487 Cc1onc(c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4c(F)cccc4Cl,0,,0,0,0,,0
488 CCOC(=O)Cc1cccc(c1)c2cc(CCCCCCc3ccc(OC4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C)c(c3)c5cccc(CC(=O)OCC)c5)ccc2OC6OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C6OC(=O)C,0,,0,0,0,,0
489 CCCCN(CCCCO)N=O,0,0,0,0,0,0,0
490 c1ccc(cc1)P(c2ccccc2)c3ccccc3,0,0,0,0,,0,0
491 COC(=O)CCCCC(=O)O,0,0,0,0,0,0,0
492 CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,1,1,1,1,,,1
493 BrCCOc1ccccc1,0,0,0,0,0,0,0
494 Cc1cccc(C)c1,0,0,0,0,0,0,0
495 C=CC=O,0,0,0,0,,0,0
496 OCC1OC(O)(CO)C(O)C1O,0,0,0,0,0,0,0
497 CN1CC(C=C2C1Cc3c[nH]c4cccc2c34)C(=O)NC5(C)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C5=O,1,,0,0,0,1,1
498 CC(=O)Nc1cccc(N)c1,0,0,0,0,0,0,0
499 CC(C)(C)OCC1CO1,0,0,0,0,0,0,0
500 CCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2)[N+](=O)[O-],,1,,,,,1
501 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2CCCC2C(=O)O,0,0,0,0,0,0,0
502 CC1CCC2(O1)C(=CCCC2(C)C)C,0,0,0,0,0,0,0
503 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CCC8(C)C(C(O)CC78O)C9=CC(=O)OC9)C5,,1,,,0,1,1
504 NC(=O)C(C1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5,,0,0,0,,,0
505 C(Oc1ccc(Cc2ccc(OCC3CO3)cc2)cc1)C4CO4,0,1,,,,1,1
506 CC1(C)CCCC2(C)C1CCC3(C)OCCC23,0,0,0,0,0,0,0
507 Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F,0,0,,0,,0,0
508 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,0,0,0,0,0,0,0
509 O=C1CCCN1C2CCCCC2,0,0,,0,0,0,0
510 OC(COc1cccc(Cl)c1)C=CC2C(O)CC(O)C2CC=CCCCC(=O)O,0,,1,0,0,,1
511 CN(C)CCN(C)CCO,0,0,0,0,0,0,0
512 CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O)OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(=O)O)C(=O)O,0,0,0,0,0,0,0
513 CC1NCc2cc(ccc12)c3ccc4C(=O)C(=CN(C5CC5)c4c3OC(F)F)C(=O)O,0,0,0,0,0,0,0
514 CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N,0,0,0,0,0,0,0
515 Cc1ccc(C)cc1,0,0,0,0,0,0,0
516 CC(C)(S)C(=O)NC(CS)C(=O)O,0,,0,0,0,,0
517 OC(=O)CBr,0,0,0,0,0,0,0
518 CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,,1,0,0,,1
519 C1CCCCC1,0,0,0,0,,0,0
520 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2CC3(CC2C(=O)O)SCCS3,0,,0,0,0,,0
521 ClCCN(CCCl)CCCl,0,,0,0,0,,0
522 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)c3occc3,0,0,0,0,0,0,0
523 Oc1cccc(Cl)c1,0,0,0,0,0,0,0
524 CCCC(=O)CC,0,0,0,0,,0,0
525 CC(=C)C(=O)N,0,0,0,0,0,0,0
526 CSCCCN=C=S,0,1,,0,1,,1
527 CCCCS(=O)(=O)NC(Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O,0,0,0,0,0,0,0
528 CN1C(=O)N(C)c2[nH]c(Br)nc2C1=O,0,0,0,0,,0,0
529 NC(=O)c1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0
530 COc1cc(C)ccc1O,,,0,0,0,0,0
531 COc1ccc(cc1OC)S(=O)(=O)N2C(C(=O)N3CCCC3C(=O)N)C(O)(c4ccccc4Cl)c5cc(Cl)ccc25,0,0,,0,0,0,0
532 Oc1cc2ccccc2c3ccccc13,,1,1,,,,1
533 CC(C)C(N)C(=O)OCC(CO)OCn1cnc2c(O)nc(N)nc12,0,,0,0,,,0
534 OC(CN1CCC(Cc2ccc(F)cc2)CC1)c3ccc(Cl)cc3,0,,0,0,,0,0
535 CCC1CCC(CCC(=O)O)C1,,1,,0,0,,1
536 CC(=CC(=O)C=C(C)C)C,0,0,0,0,0,0,0
537 CC=C1NC(=O)C2CSSCCC=CC(CC(=O)NC(C(C)C)C(=O)N2)OC(=O)C(NC1=O)C(C)C,1,1,1,1,,1,1
538 CC1=NN=C(C(=O)N1N)c2ccccc2,0,,0,0,0,0,0
539 CNC(=O)ON=C(SC)C(=O)N(C)C,,0,0,0,0,0,0
540 CC(C)S,0,0,0,0,0,0,0
541 OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
542 CCC(C)C(=O)O,0,0,0,0,0,0,0
543 CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)COC(=O)CCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,0,1,0,0,,0,1
544 OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23,0,0,0,,0,0,0
545 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,0,0,0,0,0,0,0
546 Clc1ccc(cc1)C#N,0,0,0,0,0,0,0
547 CSSC,0,,,,,,0
548 CC(=NNC(=O)Nc1cc(F)cc(F)c1)c2ncccc2C(=O)O,0,0,0,0,0,0,0
549 CC(=O)C1CCCCC1=O,0,0,0,0,0,0,0
550 Nc1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0
551 Oc1ccccc1C(=O)c2ccccc2O,,,,1,0,,1
552 COC(CC(C)CCCC(C)(C)O)OC,0,0,0,0,0,0,0
553 OCC(O)C(O)C(O)C=O,0,0,0,0,0,0,0
554 COc1ccc(cc1)C2=CC(=S)SS2,1,1,1,,,0,1
555 OCC(O)C(O)C(O)C(O)C(O)C(=O)O,0,0,0,0,,0,0
556 CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12,0,0,0,0,,0,0
557 Nc1ccc(c(N)c1)[N+](=O)[O-],0,0,0,0,0,0,0
558 O=C1C(=O)c2cccc3cccc1c23,,,,0,,,0
559 CNC(C)Cc1ccc2OCOc2c1,0,,0,0,0,0,0
560 COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2,,1,,0,,,1
561 NC(=O)OCC(COC(=O)N)c1ccccc1,0,0,0,0,0,0,0
562 Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3O,0,0,0,0,0,0,0
563 CNC(=S)NN,,1,0,,,0,1
564 C[N+](C)(C)CC(O)CC(=O)O,0,0,0,0,0,0,0
565 CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C,1,1,1,1,,1,1
566 CNC1C(O)C(OC2C(O)C(OC3OC(CN)C(O)C(O)C3O)C(N)CC2NC(=O)C(O)CN)OCC1(C)O,1,,1,1,0,,1
567 Nc1nc(Cl)nc2c1ncn2C3CC(O)C(CO)O3,0,1,0,0,,0,1
568 CC(=O)C1C(=O)OC(=CC1=O)C,0,0,0,0,0,0,0
569 CC(C)(C)OC(=O)c1ccccc1C(=O)O,0,0,0,,0,0,0
570 CC1CCCC2(C)OC2CC(OC(=O)CC(O)C(C)(C)C(=O)C(C)C1O)C(=Cc3csc(C)n3)C,1,,,0,,,1
571 NC(CSCCCO)C(=O)O,0,0,,0,0,0,0
572 CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1Cl)C,1,0,1,1,,0,1
573 COc1cc2CCN(CCCN(C)CC3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC,0,,0,0,0,,0
574 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccc(F)cc3,0,,0,0,,,0
575 Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],,,1,0,,,1
576 COc1ccc(cc1)C(=O)Nc2ccccc2CCC3CCCCN3C,0,,0,0,0,,0
577 C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N,0,,0,0,0,,0
578 CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C,1,,1,0,1,0,1
579 OC(=O)c1cccc(n1)C(=O)O,0,0,0,0,0,0,0
580 CC(CCCC(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C,1,1,,0,,,1
581 CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)cc3,,0,,1,,,1
582 COC1CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C(C1OC)C(=O)OC,0,,0,0,0,,0
583 Cc1occc1SSc2ccoc2C,,0,1,,,0,1
584 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)OC4OC(=O)c5ccccc45,0,,1,0,1,,1
585 CCCCC(CC)(CO)CO,0,0,0,0,0,0,0
586 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CC(O)CC2(C)C,1,,1,,,,1
587 CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C,1,1,,,0,,1
588 Clc1ccccc1c2ccccc2Cl,0,1,,,,0,1
589 CSc1cnccn1,0,0,0,0,0,0,0
590 CN(C)CCC=C1c2ccccc2CCc3ccccc13,1,1,,0,,,1
591 CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C,0,,0,0,1,0,1
592 CCCSP(=S)(OCC)Oc1ccc(SC)cc1,0,0,0,0,0,0,0
593 ClSC(Cl)(Cl)Cl,0,0,0,0,0,0,0
594 O=C1CCCCCCCCCCCCCC1,0,0,0,,,0,0
595 Oc1cc(O)cc(O)c1,0,,0,0,0,,0
596 Nc1nc(N)nc(N)n1,0,0,0,0,,0,0
597 NC(=S)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0
598 CCOC(OCC)C=CCCC=CCC,,0,,0,1,0,1
599 OC(=O)CNC(=O)c1ccccc1I,0,0,0,0,0,0,0
600 Oc1c(Cl)cc(Cl)cc1S(=O)c2cc(Cl)cc(Cl)c2O,0,,,0,,1,1
601 COC(C(=O)O)c1ccccc1,0,0,0,0,0,0,0
602 CC(=CCl)C,0,,0,0,0,0,0
603 O=C(N1CCN(Cc2ccccc2)CC1)c3oc4ccccc4c3,1,,0,1,0,,1
604 O=NN1CCCCCC1,0,0,,0,0,0,0
605 CCC=CCCCCO,0,0,0,0,0,0,0
606 CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc(cc3)S(=O)(=O)C,,0,0,0,0,0,0
607 CCC=CCCOC(=O)c1ccccc1,0,0,0,0,,0,0
608 Nc1ccc(Cl)c(N)c1,0,,0,0,0,,0
609 OCC1OC(=O)C(O)C(O)C1O,0,0,0,0,0,0,0
610 CC(C)Cc1nccs1,0,0,0,0,0,0,0
611 CCC(C)c1cc(cc(c1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-],,,,,,1,1
612 CC(C)(C)NCC(O)c1ccc(O)cc1Cl,0,0,0,0,0,0,0
613 OC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,0,0,0,0,0,0,0
614 CCCCCOC(=O)C,0,0,0,0,0,0,0
615 NC(=O)c1ccccc1,0,0,0,0,0,0,0
616 CCCCCCCCC1CCC(=O)O1,1,1,1,,0,0,1
617 O=C1CCCC(=O)C1,0,0,0,0,0,0,0
618 CCCCCCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0
619 NC1=NC(=O)N(C=C1)C2CCC(CO)O2,0,0,0,0,0,0,0
620 C=CC(=O)OCC1CC2CC1C3CCC(COC(=O)C=C)C23,,1,1,,,1,1
621 CC(C)C(NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)NC(CC(O)C(Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4,0,,,,,1,1
622 Clc1ccc(cc1)c2ccccc2NC(=O)c3cccnc3Cl,0,0,0,0,,,0
623 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,0,,0,0,0,,0
624 CCCC(C)C(=O)O,0,0,0,0,0,0,0
625 Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,0,,,0,0,,0
626 NC(=O)NC1NC(=O)NC1=O,0,0,0,0,0,0,0
627 CN(C)CCCN(C)C,0,0,0,0,0,0,0
628 O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3,,,0,,,,0
629 Cc1ccc(Br)cc1,0,0,0,0,0,0,0
630 Nc1ccc(Cl)c(Cl)c1,0,,0,0,0,,0
631 COC1=NN(CSP(=S)(OC)OC)C(=O)S1,,0,0,0,0,0,0
632 C1CS1,0,0,0,0,0,0,0
633 CCC(=O)Nc1ccc(Cl)c(Cl)c1,1,1,0,0,,0,1
634 Nc1nc(O)c2N(C=O)C(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)CNc2n1,0,,0,0,0,,0
635 CCCCCCCCCCCCCCCC(=O)OC,0,0,0,0,0,0,0
636 c1ccc2c(c1)c3cccc4ccc5cccc2c5c34,,0,,0,0,,0
637 Oc1ccc(Cc2ccccc2)cc1,,1,,0,,0,1
638 CCN(CC)CCN1C(=O)C(=Nc2ccccc12)Cc3ccc(OC)cc3,0,,0,0,,,0
639 CC(CO)(CO)CO,0,0,0,0,0,0,0
640 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,1,1,,1,,1,1
641 OS(=O)(=O)c1cc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])ccc1Nc3ccccc3,0,0,0,0,,0,0
642 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4NCCc5cc(OC)c(OC)cc45,1,1,1,1,1,,1
643 CON=C(C(=O)OC)c1ccccc1CON=C(C)c2cccc(c2)C(F)(F)F,1,1,1,,,,1
644 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34,0,,0,0,0,0,0
645 OC(=O)CCCc1ccccc1,0,0,0,0,0,0,0
646 CCCCCCCCCCCCCCCC[N+](C)(C)CC,1,1,,1,,,1
647 Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl,0,,,0,0,0,0
648 CCC(C)(CN(C)C)OC(=O)c1ccccc1,0,0,0,0,0,0,0
649 [O-][N+](=O)c1cccc2ccccc12,0,0,0,0,0,0,0
650 Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C,0,0,0,0,0,0,0
651 CCSC(=O)N(CC)CC,0,0,0,0,0,0,0
652 Cc1ncc(COP(=O)(O)O)c(CN)c1O,0,,0,0,0,,0
653 CCCCCCCC(=O)OCC(O)CO,0,0,0,0,0,0,0
654 CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2)C=CC1C,1,1,,0,,,1
655 NNc1nnc(Cc2ccncc2)c3ccccc13,0,,0,1,1,,1
656 CCOC(=O)C(N)CS,0,,0,0,0,,0
657 CCOc1cc(NC(=O)C)ccc1C(=O)OC,0,0,0,0,0,0,0
658 [O-][N+](=O)c1ccccc1CC#N,0,0,0,0,0,0,0
659 NC(CO)C(=O)O,,,0,0,0,,0
660 NCC(CC(=O)O)c1ccc(Cl)cc1,0,0,0,0,0,0,0
661 CNCc1ccccc1,0,0,0,0,0,0,0
662 CC(=NO)c1ccc(OCC(=O)N2CCCCC2)cc1,1,1,0,1,,0,1
663 CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3S(=O)(=O)O)S(=O)(=O)O,,1,0,1,1,0,1
664 NC(=N)N,0,0,0,0,0,0,0
665 CCCOC(=O)C(C)O,0,0,0,0,0,0,0
666 Nc1[nH]cnc2ncnc12,,0,0,1,0,0,1
667 CS(=O)(=O)c1ccc(cc1Cl)C(CC2CCCC2)C(=O)Nc3cnccn3,1,,,,,,1
668 CC(=CCCC(C)(OC=O)C=C)C,0,0,0,0,0,0,0
669 OC(=O)c1cccc(c1)[N+](=O)[O-],0,0,0,0,0,0,0
670 NC(=O)c1cn(Cc2c(F)cccc2F)nn1,0,0,0,0,,0,0
671 CCOP(=O)(CC)OCC,0,0,0,0,0,0,0
672 OCC(=O)C(O)C(O)C(O)C(=O)O,,,0,0,0,,0
673 CNc1ccccc1,0,0,0,0,0,0,0
674 C1CCc2ccccc2C1,0,0,0,0,0,0,0
675 CCOc1cc(c(OCC)cc1N2CCOCC2)[N+](=O)[O-],0,1,,1,,0,1
676 CC(=CCCC(=CC=O)C)C,0,0,0,0,0,0,0
677 CC1(CO)CN(NC1=O)c2ccccc2,0,0,0,,,,0
678 Nc1ncnc2c1ncn2CCOCP(=O)(O)O,0,,0,0,0,,0
679 OC(=O)c1ccccc1Nc2cc(Cl)ccc2C(=O)O,0,,0,0,0,0,0
680 CC(=NCc1ccccc1)c2ccccc2O,0,,0,0,0,,0
681 CCC=C1OC(=O)c2ccccc12,0,0,0,0,0,0,0
682 NC12CC3CC(CC(C3)C1)C2,,0,0,0,,0,0
683 CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C)OC(=O)C,,0,0,0,0,0,0
684 CCSC(=O)Cl,,0,0,0,0,0,0
685 CC(CO)(CO)[N+](=O)[O-],0,0,0,0,0,0,0
686 CCCCC(CC)COC(=O)c1ccccc1O,0,0,0,0,0,0,0
687 Cc1ccc(O)cc1,0,0,0,0,0,0,0
688 COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc4cn(C)c5cccc2c45,0,0,0,,,0,0
689 CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],,1,,,,,1
690 CCCCCCCCCCCO,0,0,0,0,0,0,0
691 CC(=O)OC(C)(C)C1CCC(=CC1)C,0,0,0,0,0,0,0
692 CCn1nc(C)c2N=C(CNC(=O)c12)c3ccc(O)cc3,,1,1,0,0,0,1
693 Cc1cccc(N)c1C,0,0,0,0,0,0,0
694 OC(=O)c1occc1,0,0,0,0,0,0,0
695 CCCCO[P+](=O)OCCCC,0,0,0,0,0,0,0
696 C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1,0,0,0,0,0,0,0
697 CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12,0,0,0,0,0,0,0
698 CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c2occ(c2)C(C)(C)O,0,0,0,0,0,0,0
699 CC=C(C(=CC)c1ccc(OC(=O)C)cc1)c2ccc(OC(=O)C)cc2,,,,,,1,1
700 CCCCC(O)c1ccccc1,0,,0,0,0,,0
701 Cc1cccc2[nH]nnc12,0,0,0,0,0,0,0
702 COc1ccc(cc1)N=Nc2cc(C)c(cc2OC)N=Nc3ccc(cc3)S(=O)(=O)O,0,,0,,,0,0
703 CC(CCl)OC(C)CCl,0,0,0,0,0,0,0
704 Cc1ccc(CO)cc1,0,,0,0,0,0,0
705 NC1(CCCCC1)c2ccccc2,0,0,0,,,,0
706 CCCCC(CC)COC(=O)c1ccccc1,0,0,0,0,0,,0
707 NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl,0,0,0,0,0,0,0
708 CC1(C)OCC(COC(=O)CCc2ccc(OCC(O)CNCCNC(=O)N3CCOCC3)cc2)O1,0,0,0,0,0,0,0
709 CCOP(=S)(OCC)SCSCC,0,0,0,,0,0,0
710 Clc1ccc(CC#N)c(Cl)c1,0,0,0,0,0,0,0
711 Cn1ccnc1S,0,0,0,0,0,0,0
712 CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,,1,,1,,1,1
713 CCc1cccc(CC)c1N(COC)C(=O)CCl,1,1,1,,1,1,1
714 CCCCCCCCCCC=O,0,0,0,0,0,,0
715 CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC,0,0,,0,1,0,1
716 CN1CCC2Nc3ccc(C)cc3C2C1,0,0,0,0,0,0,0
717 CCCC(=O)OCCc1ccccc1,0,0,0,0,0,0,0
718 C1CN(CCO1)SSN2CCOCC2,,0,1,,,,1
719 CCC(C)C1OC2(CCC1C)CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2,,1,,0,,,1
720 OC(=O)CF,0,0,0,0,0,0,0
721 OC1CCC(CC1)C2CCCCC2,0,0,0,0,0,0,0
722 CC(=O)Nc1ncc(s1)[N+](=O)[O-],,0,0,0,0,0,0
723 COc1nc(C)nc(Cl)c1NC2=NCCN2,,0,0,,0,0,0
724 CN1CCCC1=O,0,0,0,0,,0,0
725 Nc1nc(N)c(N)c(N)n1,,0,,,0,0,0
726 COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2,,,,,,0,0
727 Cc1cccc(N)c1N,1,,,0,0,0,1
728 CNC1CC(c2ccc(Cl)c(Cl)c2)c3ccccc13,,,0,,,,0
729 CC(=O)NS(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0
730 OCC1CCC=CC1,,0,0,1,0,0,1
731 CCCCCCC1CCC(=O)O1,0,0,0,0,0,0,0
732 OCC=C1OC2CC(=O)N2C1C(=O)O,,,1,0,0,,1
733 CCCCOC(=O)c1ccc(N)cc1,1,1,,0,1,1,1
734 Nc1nnnn1c2ccccc2,0,0,0,0,0,0,0
735 Cc1cccc(OCCOc2cccc(C)c2)c1,0,,0,0,0,0,0
736 Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O,0,0,0,0,,0,0
737 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,0,,0,0,0,0,0
738 CCCC(CCC)C(=O)N,0,,0,0,0,,0
739 NC(=O)Oc1ccc(Cc2ccccc2)cc1,,1,0,0,,,1
740 CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC,1,1,,,,1,1
741 COCCOC(=C1C(C(=C(C)N=C1C)C(=O)OCC=Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])O,1,1,1,,,1,1
742 COc1cc(NC(C)CCCN)c2ncccc2c1,0,,,0,,0,0
743 CC(C)C(O)C(C)(C)CO,0,,0,0,,0,0
744 CC12C(O)C=CC3(OC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O,0,0,0,0,0,0,0
745 CC(C)C12CCC(C)(O1)C(C2)OCc3ccccc3C,,0,0,,1,0,1
746 CN1C(CCC1=O)c2cccnc2,0,0,0,0,0,0,0
747 O=CC(=O)c1ccccc1,0,0,,0,0,0,0
748 CCN(C(=O)N(CC)c1ccccc1)c2ccccc2,1,0,0,,,0,1
749 COCC(=O)OC1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc4cc(F)ccc4C1C(C)C,,1,,,,,1
750 CN(C)c1ccc(C=Cc2ccc(cc2)[N+](=O)[O-])cc1,,1,,1,0,,1
751 OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
752 CC(C)N=C(N)N=C(N)Nc1ccc(Cl)cc1,0,,0,0,1,,1
753 CC(C)(O)CCc1ccccc1,0,0,0,0,0,0,0
754 N(c1ccccc1)c2ccccc2,0,0,0,,0,0,0
755 CN(C)C(=O)NC1(CCN(CCCC2(CCCN(C2)C(=O)c3ccccc3)c4ccc(Cl)c(Cl)c4)CC1)c5ccccc5,,0,0,,,0,0
756 COc1cc2N3C4C5C(CC3=O)OCC=C6CN7CCC4(C7CC56)c2cc1OC,0,0,0,0,0,0,0
757 Cc1ccc(NC=O)c(C)c1,0,0,0,0,0,0,0
758 C(C1CO1)N(CC2CO2)c3ccc(Cc4ccc(cc4)N(CC5CO5)CC6CO6)cc3,1,,1,,,,1
759 Cc1ccc(cc1)S(=O)(=O)NCl,0,0,0,0,0,0,0
760 CC(C)(C)NCC(O)COc1cccc2C(=O)CCCc12,0,0,0,0,0,0,0
761 CCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0
762 Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1,0,,0,,,0,0
763 CC(C)(c1ccc(Oc2ccc3C(=O)OC(=O)c3c2)cc1)c4ccc(Oc5ccc6C(=O)OC(=O)c6c5)cc4,0,0,0,0,0,0,0
764 CCCCCCCCCCCC[n+]1ccc2ccccc2c1,,1,,,,,1
765 Nc1nc(O)ncc1F,,0,0,0,0,0,0
766 CC(C)CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,1,1,,,,1,1
767 CC(Cc1ccc2OCOc2c1)C=O,0,0,0,0,0,0,0
768 C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O,1,1,,,,1,1
769 CN=C(NCc1cnc(Cl)s1)N[N+](=O)[O-],0,0,0,0,0,0,0
770 CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,0,0,0,0,0,0,0
771 CCN(CC)C(=O)c1cc(c(cc1N(CC)CCN(C)C)N2CCC(CC2)c3ccccc3)S(=O)(=O)Cc4ccccc4,,0,0,,,,0
772 OCCNc1ccc(cc1OCCO)[N+](=O)[O-],0,0,0,,0,0,0
773 CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(C)CC3)C1=O,,0,0,0,0,1,1
774 Cc1cscn1,0,0,0,0,0,0,0
775 CCCCCC(CO)CCC,0,0,0,0,0,0,0
776 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,,1,1,1,1,,1
777 Cc1ccccc1OCC(O)CNCCOc2ccc(cc2)C(=O)N,0,,0,0,0,,0
778 Cn1c(COC(=O)N)ncc1[N+](=O)[O-],0,0,0,0,0,0,0
779 CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,0,0,0,0,0,0,0
780 CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,0,,0,0,0,,0
781 Cc1cccc2sc(N)nc12,0,0,,0,0,0,0
782 OC(=O)c1ccccc1,0,0,0,0,0,0,0
783 CCCCCCCCOC(=O)c1ccc(O)cc1,,1,,,,,1
784 CC12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CCC2OP(=O)(O)O,1,1,0,0,1,,1
785 CC(C)c1ccc(C)cc1O,0,0,0,0,0,0,0
786 CN(C)C1C2CC3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O)N(C)C,0,0,0,0,0,0,0
787 Clc1ccc(cc1)C(=O)c2ccc(Cl)cc2,0,0,0,0,0,0,0
788 CN(C)c1ccc2C(=CC(=O)Oc2c1)C,,1,1,1,0,1,1
789 OC(=O)C(=O)Cc1ccccc1,,0,,0,0,0,0
790 Oc1ccccc1,0,0,0,0,0,0,0
791 NC1CONC1=O,0,0,,1,0,0,1
792 Cc1ccc(N)cc1N,,0,0,0,0,0,0
793 CC(=O)C(=O)O,0,0,0,0,0,0,0
794 CC1(C)C2CCC1(C)C(O)C2,0,0,0,0,0,0,0
795 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC,0,0,0,0,0,0,0
796 CCCCCCOC(=O)CC,0,0,0,0,0,0,0
797 CC(CCC(=O)O)(N=NC(C)(CCC(=O)O)C#N)C#N,0,0,0,0,,0,0
798 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,,0,0,,,0,0
799 OS(=O)(=S)O,0,0,0,0,0,0,0
800 CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2,0,,0,0,1,,1
801 CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,0,0,0,0,0,0,0
802 OC(=O)c1cc2ccccc2cc1O,,,0,,0,0,0
803 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(=O)C)c3C(=O)c12)C(=O)O,,,,0,0,0,0
804 CCNc1cc(O)ccc1C,0,0,0,0,0,0,0
805 CCCSc1cc(OC)c(CCN)cc1OC,1,,0,,,,1
806 Cc1ccc(c(N)c1)[N+](=O)[O-],0,0,0,0,0,0,0
807 CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl,1,1,,1,,,1
808 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,,0,0,0,0,,0
809 CC(Cc1ccccc1)N(C)C,0,,0,0,0,,0
810 O=CCc1ccccc1,0,0,0,0,0,,0
811 OC(=O)c1cc(Br)c(O)c(Br)c1,0,0,0,,0,0,0
812 CCCn1cnc2N(C)C(=O)N(CCCCC(=O)C)C(=O)c12,0,0,0,0,0,0,0
813 O=C1OC(=O)C=C1,0,0,0,0,0,0,0
814 COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1OCCO,,1,,1,1,,1
815 CC(=O)Nc1ccc(OCCOCCOc2ccc(NC(=O)C)cc2)cc1,0,0,0,0,0,0,0
816 CCOC(=O)NNc1nncc2ccccc12,0,0,0,0,0,0,0
817 OCCCCOC(=O)C=C,1,,,,,0,1
818 CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24,0,0,0,0,,0,0
819 OC(=O)COc1ccccc1C=NNC(=O)c2ccncc2,0,,0,0,0,,0
820 CCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,1,,0,0,0,,1
821 Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,0,0,0,0,0,0,0
822 O=C(OCCOCCOCCOC(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
823 CN1C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,0,0,0,0,0,0,0
824 O=C1CCCCCCCCCCCC(=O)OCCO1,,0,0,,1,0,1
825 [O-][N+](=O)c1c2ccccc2cc3ccccc13,0,1,,,0,,1
826 CC(Oc1cccc(Cl)c1)C(=O)O,0,,0,0,0,0,0
827 CC(C)(CC(=O)O)C(=O)O,0,0,0,0,0,0,0
828 CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,,,1,0,,,1
829 O=C1c2ccccc2Oc3ccccc13,,1,0,1,0,0,1
830 COc1cccc(OC)c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O,0,0,,0,0,0,0
831 CCCCCC[N+](=O)[O-],,0,,0,,0,0
832 CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1,,,,1,,,1
833 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2OC(=O)CCc5ccccc5,1,1,,,,0,1
834 CC1=C(CCN2CCC(=C(c3ccc(F)cc3)c4ccc(F)cc4)CC2)C(=O)N5C=CSC5=N1,,1,,0,,0,1
835 OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3,0,0,0,0,,0,0
836 CCOC(=O)c1ccc(N)cc1,,1,0,1,0,1,1
837 Cc1c(N)cccc1[N+](=O)[O-],,0,0,0,0,0,0
838 CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,0,0,0,0,0,,0
839 Oc1ccc(Cl)cc1C(=O)Nc2ccccc2,,,,,,0,0
840 OC(C#N)c1ccccc1,0,0,0,0,0,0,0
841 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C,0,1,0,0,,,1
842 OCC(O)COP(=O)(O)O,0,0,0,0,0,0,0
843 Nc1nc(S)c2[nH]cnc2n1,1,,,1,0,0,1
844 NC(=O)CN(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F,1,0,0,,0,1,1
845 CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C,,1,1,,,0,1
846 CC(=O)Nc1ccc(C)cc1C,0,0,0,0,0,0,0
847 Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)n3c(S)nc4ccccc34,,,0,1,,,1
848 Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,1,1,1,1,,,1
849 ClCCOCOCCCl,0,0,0,0,0,0,0
850 CNC(=O)Oc1cccc(c1)N=CN(C)C,1,1,,0,,0,1
851 CSc1ccc(O)cc1C,,1,,,,,1
852 CCOP(=S)(OCC)Oc1cnc2ccccc2n1,,,0,0,0,0,0
853 COc1cc(c(OC)cc1N)S(=O)(=O)Nc2ccccc2,0,0,0,0,0,0,0
854 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC,0,,,0,,0,0
855 CNc1cc(OC)c(cc1Cl)C(=O)NC2CCN(Cc3ccccc3)C2C,,,0,0,,,0
856 Nc1ccc(F)cc1F,0,0,0,0,0,0,0
857 CC(C)CC(=O)C1C(=O)c2ccccc2C1=O,,1,,0,,1,1
858 CCCCCCCCCCCCCC,0,0,0,0,0,0,0
859 OS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1,0,0,0,0,0,0,0
860 CCOCCO,0,0,0,0,0,0,0
861 CC(C)CN(CC(OP(=O)(O)O)C(Cc1ccccc1)NC(=O)OC2CCOC2)S(=O)(=O)c3ccc(N)cc3,,,0,0,0,,0
862 CCc1cccc(c1)N(C)C(=N)Nc2cccc3ccccc23,,0,0,1,,0,1
863 CCN(C(=O)C)c1cccc(c1)c2ccnc3c(cnn23)C#N,,0,0,,0,0,0
864 CC1OC(=C(O)C1=O)C,0,0,0,0,0,0,0
865 OCCNC(=O)Cn1ccnc1[N+](=O)[O-],0,0,0,0,0,0,0
866 CCCCCC[n+]1ccccc1,1,1,,0,0,0,1
867 CCCCOCCCC,0,0,0,0,0,0,0
868 Cc1ccccc1,0,0,0,0,0,0,0
869 OC1CC(OCc2ccc(cc2)c3ccccc3)C(CCC=CCCC(=O)O)C1N4CCCCC4,0,,0,0,0,,0
870 Cc1c(Cl)cccc1Nc2ccccc2C(=O)O,,,1,0,,1,1
871 OP(=O)(OCc1ccccc1)OCc2ccccc2,0,,0,0,,0,0
872 COC(=O)c1ccc(cc1)C(=O)OC,0,0,0,0,0,0,0
873 CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)Cc4ccc(Cl)c(Cl)c4,,,,,,0,0
874 CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C,1,1,1,1,0,,1
875 OC(=O)C(OC(=O)c1ccccc1)C(OC(=O)c2ccccc2)C(=O)O,0,0,0,0,0,0,0
876 CCC(=O)c1ccccc1,0,0,0,0,0,0,0
877 CCCCCCCCCc1ccc(O)cc1,,1,0,,,0,1
878 OC(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,0,0,0,0,0,0,0
879 O=C1CCCC1,0,0,0,0,0,0,0
880 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O,0,,0,0,0,,0
881 CCCCO,0,,0,0,0,0,0
882 CC1CC2C3CCC(O)(C(=O)COC(=O)CCC(=O)O)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14,1,1,1,1,0,,1
883 CCCCCCCCCCCCCCC(=O)O,,,0,0,0,0,0
884 COCc1cnc(C2=NC(=O)C(C)(N2)C(C)C)c(c1)C(=O)O,0,0,0,0,0,0,0
885 CCC(=O)Nc1cccc(N)c1,0,0,0,0,0,0,0
886 Nc1cccc(c1)S(=O)(=O)c2cccc(N)c2,0,0,0,0,0,0,0
887 CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C2CCOCC2,0,0,0,0,0,0,0
888 CC1(C)NC(=O)NC1=O,0,0,0,0,0,0,0
889 CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CO)NC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)C(Cc6c[nH]cn6)NC(=O)C7CCC(=O)N7)C(=O)NC(CCCN=C(N)N)C(=O)N8CCCC8C(=O)NCC(=O)N,0,,0,0,0,,0
890 O1c2ccccc2Oc3ccccc13,0,0,0,0,0,0,0
891 CN(C)c1cccc(O)c1,0,,0,0,0,0,0
892 CC(CO)c1ccccc1,0,0,,0,0,0,0
893 OC(=O)CCNC(=O)c1ccccc1,0,0,0,,1,0,1
894 Fc1ccc(cc1)N2CCN(CCCC(=O)NC3c4ccccc4CSc5ccccc35)CC2,,1,0,,,,1
895 CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n5c(C)nc6ccccc56)(CC2)c7cccc(F)c7)c(Cl)cc1F,1,1,,,,,1
896 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,1,,1,1,0,,1
897 CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)C,1,1,1,,,,1
898 CCCCCCC(CO)CCCC,0,0,0,0,0,0,0
899 CCCCCCCc1ccc(O)cc1,,0,,,,0,0
900 CCOc1ccc2nc(N)sc2c1,1,1,,1,0,0,1
901 N#CCCCCC#N,0,0,0,0,0,0,0
902 Cc1c(Cl)cccc1[N+](=O)[O-],0,0,0,0,0,0,0
903 OCC1OC(CC1O)N2C=C(C(=O)NC2=O)C(F)(F)F,0,,,0,1,1,1
904 Cc1ccc(N)cc1S(=O)(=O)O,0,0,0,0,0,0,0
905 Cc1ncc([N+](=O)[O-])n1CC(O)CCl,0,0,0,0,0,0,0
906 OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,,1,,0,,0,1
907 Cc1onc(n1)c2ccc3CCN(CCC4CCC(CC4)NC(=O)C=Cc5ccc(F)cc5)CCc3c2,1,1,1,0,,1,1
908 CC1(C)C(=O)NC(=O)NC1=O,0,0,0,0,0,0,0
909 NCCc1c[nH]cn1,,0,,0,0,0,0
910 O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4,,,,0,0,,0
911 Clc1nc(C#N)c(Cl)c(Cl)c1Cl,,1,1,,,,1
912 CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,1,1,1,1,,1,1
913 OC(=O)c1cccc(c1)C(=O)O,0,0,0,0,0,0,0
914 Cc1ccc(N)nc1,0,0,0,0,0,0,0
915 C=Cc1ccccn1,0,0,0,0,0,0,0
916 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC,0,,0,0,0,,0
917 CC(=O)Oc1cc(C)c(OC(=O)C)c2ccccc12,1,,0,,,,1
918 C(Nc1ncnc2c1ncn2C3CCCCO3)c4ccccc4,1,1,0,1,0,,1
919 CC(=C)C1CNC(C1CC(=O)O)C(=O)O,0,0,0,0,0,0,0
920 CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,0,,0,0,0,,0
921 CCc1ccccc1O,0,0,0,0,0,0,0
922 COC1CC(CCC1O)C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C4(O)OC(C(CC(C)CC(=CC(CC=C)C(=O)CC(O)C2C)C)OC)C(CC4C)OC,1,,,,,,1
923 OC(CNCCOc1ccc(CC(=O)O)cc1)c2ccccc2,,0,0,0,0,0,0
924 CCC(=O)OCc1ccccc1,0,0,0,0,0,0,0
925 COC(=O)c1ccccc1C(=O)c2ccc(OCCN3CCCCC3)cc2,,0,,0,,0,0
926 CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(=O)O)ccc12,0,1,,1,,,1
927 Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,0,0,0,0,0,0,0
928 Oc1ccc(C(=O)c2ccc(O)c(O)c2)c(O)c1,1,1,,1,,0,1
929 CCCCC(CC)COC(=O)C,0,0,0,0,0,0,0
930 COc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0
931 CC(C)NCC(O)COc1ccccc1n2cccc2,,,0,0,0,,0
932 O=C1CC2OCC=C3CN4CCC56C4CC3C2C5N1c7ccccc67,0,0,0,0,0,0,0
933 OC(=O)C(Br)CBr,0,,0,1,0,1,1
934 CN(C)C(=O)Cl,0,0,0,0,0,0,0
935 CCOC(=O)N1CCC(CC1)n2c(O)nc3cc(Cl)ccc23,,1,,,,,1
936 CC1=C(CCN2CCC(CC2)C(=O)c3ccc(F)cc3)C(=O)N4CCSC4=N1,,1,,,,,1
937 CCN(CC)C(=S)S,1,1,,,,,1
938 CC(C)C(=O)OCC(=O)C12OC(OC1CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC23C)C6CCCCC6,1,1,1,1,,,1
939 CCN(CC)CCOC(=O)c1cccnc1,0,,0,0,0,,0
940 CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,1,,,1,,,1
941 CCCn1cc[n+](C)c1C,0,0,0,0,0,0,0
942 CC(C)OC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
943 O=C1NCCN1,0,0,0,0,0,0,0
944 Nc1ccc(O)c(N)c1,,0,0,0,,,0
945 COc1ccc2CN(C)CCC34C=CC(O)CC3Oc1c24,0,,0,0,0,,0
946 CCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0
947 CCN(CC)C(=O)N1CCN(C)CC1,1,,1,1,0,0,1
948 ON=CC=NO,0,0,0,0,0,0,0
949 CC(N)CCCC(C)(C)O,0,0,0,0,0,0,0
950 CCCCCC(O)C=CC1C(O)CC2OC(=CCCCC(=O)O)CC12,0,,0,0,0,,0
951 Clc1c2ccccc2c(C=O)c3ccccc13,1,1,,0,0,,1
952 CC(=O)NC1=NC(=O)N(C=C1)C2COC(COC(=O)c3ccccc3)O2,,0,0,,1,,1
953 CCOC(=O)C,0,0,0,0,0,0,0
954 Clc1ccc(C=O)cc1,,0,,,,0,0
955 CCOP(=O)(Cl)Cl,0,0,0,0,0,0,0
956 Clc1cccc(Cl)c1N2C(=O)Cc3ccccc23,,1,,,0,,1
957 CCCC(=O)Cl,0,0,0,0,0,0,0
958 Cc1cccc(N)c1,0,0,0,0,0,0,0
959 CC(=C)C(=O)OCCOC1CC2CC1C3C=CCC23,0,0,0,0,0,,0
960 OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2,0,,0,0,0,,0
961 CC(C)COC(=O)C(C)C,0,,0,0,0,0,0
962 CCCCCCC=CC(=O)OC,0,0,0,0,0,0,0
963 O=Cc1ccccc1,0,0,0,0,0,0,0
964 CC(C)(O)C#C,0,,0,0,,0,0
965 NCC(O)c1cccc(O)c1,0,,0,0,0,,0
966 CNC(C)CCC=C(C)C,0,,0,0,,,0
967 COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1,0,,0,0,0,0,0
968 Oc1ccc2CC3C4CCCCC4(CCN3CC=C)c2c1,,,,0,,,0
969 OCC=C1C[N+]2(CC=C)CCC34C2CC1C5=CN6C7C(=CN(C35)c8ccccc48)C9CC%10C7(CC[N+]%10(CC=C)CC9=CCO)c%11ccccc6%11,0,,0,0,0,,0
970 CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N,0,,0,0,0,,0
971 Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C,0,0,0,0,,0,0
972 Cc1ccccc1N2C(=Nc3ccc(N)cc3C2=O)CF,0,1,0,0,0,,1
973 Nc1ccc(C(=O)O)c(O)c1,0,0,,0,0,0,0
974 CCCCCCCCCc1ccc(OCCOCCO)cc1,1,1,1,,,,1
975 COc1ccc(Br)c(C)c1,0,0,0,0,,0,0
976 Nc1ccc(cc1)[N+](=O)[O-],,1,0,,,1,1
977 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[N+]3(C)CCCC3)c4csc(N)n4,0,,0,0,0,,0
978 CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC,,,0,0,,,0
979 CC(=C)C1CC=C(C)C(O)C1,0,0,0,0,0,0,0
980 C[N+]1(CCF)C2CCC1CC(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4,0,,0,0,0,0,0
981 Nc1ccccc1C(=O)OCCc2ccccc2,1,1,,,0,,1
982 Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,,0,0,0,0,1,1
983 OC(=O)c1ccc(OCCCOc2ccc(cc2)C(=O)O)cc1,0,0,0,0,0,0,0
984 CN(C)CCOCCN(C)C,0,0,0,0,0,0,0
985 CC(C)(C)C1CCCCC1=O,0,0,0,0,0,0,0
986 CC(C)c1ccc2c(cc(C(C)C)c(c2c1)S(=O)(=O)O)C(C)C,0,0,,0,,,0
987 CN=C(NCCSCc1csc(N=C(N)N)n1)NC#N,0,0,0,0,0,0,0
988 Nc1nc(O)c(Br)c(n1)c2ccccc2,,0,,0,0,0,0
989 Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2,,1,,,1,,1
990 CCOC(=O)C1(CCCN(C)CC1)c2ccccc2,0,,0,0,0,,0
991 CCCCCCCCCCCCSCCOCCO,0,0,0,0,0,,0
992 CN1CCN2C(C1)c3ccccc3Cc4ccccc24,,,,0,,0,0
993 CC(=O)CC(=O)C,0,0,0,0,0,0,0
994 CNCc1ccc(NC(=O)c2c[nH]c3CCCC(=O)c23)cc1,0,,0,1,0,0,1
995 Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2,,1,,0,,,1
996 Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,0,0,0,0,,,0
997 OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3,,,,0,,1,1
998 Oc1c(Br)cc(C=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1Br,,,,0,,,0
999 CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC,1,1,1,1,,,1
1000 COc1ccc(CC=C)cc1,0,0,0,0,0,0,0
1001 COC(Cc1ccccc1)OC,0,,0,0,0,0,0
1002 CCCCCCCCCC(=O)OC,0,0,0,0,0,0,0
1003 CCCCCCCCCCCCCCCC(=O)OC1C(O)C(O)C(OC1SC)C(NC(=O)C2CC(CCC)CN2C)C(C)Cl,1,,0,0,0,,1
1004 C1CCN2CCCN=C2CC1,0,0,0,0,0,0,0
1005 CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,,,,,,1,1
1006 CC(=O)Nc1ccc(N)cc1,0,0,0,0,,0,0
1007 CC(C)C1CCC(C)CC1OC(=O)c2ccccc2O,0,,0,0,0,,0
1008 OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)O,0,0,0,0,0,,0
1009 CCCCCCCCSCC,0,0,0,0,0,,0
1010 CC=CC=CCO,,0,0,0,,0,0
1011 CCOCCOCCOC(=O)C=C,0,0,0,0,0,0,0
1012 CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n2ccnc2,,,,1,,1,1
1013 CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,1,1,1,1,0,,1
1014 CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,,1,,,,,1
1015 CCCCCCCCCI,0,,0,0,0,0,0
1016 CCCCCCCCCOC(=O)c1ccc(O)cc1,,1,,,,,1
1017 CCC1(Cc2ccccc2O1)C3=NCCN3,,,0,0,,0,0
1018 COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC,0,,0,0,,,0
1019 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO,,,,,1,,1
1020 COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,0,0,0,0,0,0,0
1021 Clc1cc(Cl)c(Cl)nc1Cl,0,0,0,0,0,0,0
1022 ClCCN(CCCl)P1(=O)NCCCO1,0,0,0,0,0,0,0
1023 CCCc1ncc(C[n+]2ccccc2C)c(N)n1,,0,0,0,0,0,0
1024 OC(=O)c1ccccc1c2ccc(cc2)C(F)(F)F,,,,0,0,1,1
1025 CCC(=O)OC1CCC2C3CCc4cc(OC(=O)CC)ccc4C3CCC12C,1,1,1,,0,,1
1026 Cc1ccc(cc1C)[N+](=O)[O-],0,0,0,0,0,0,0
1027 CCCCCCCC(=O)Cl,0,0,0,0,0,0,0
1028 [O-][n+]1ccc(Cl)cc1,0,0,0,0,0,0,0
1029 CC(CC=O)CC(C)(C)C,0,0,0,,0,0,0
1030 CCN(CC(=C)C)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,,0,0,,0,0
1031 CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(O)C5=N1,0,0,0,0,0,0,0
1032 CC(=Cc1ccccc1)[N+](=O)[O-],1,1,1,,,,1
1033 Oc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
1034 CC(C)COC(=O)C=Cc1ccccc1,0,0,0,,0,0,0
1035 CCCCOC(=O)CC#N,0,0,0,0,0,0,0
1036 CCCCCOc1ccccc1C(=CSC)n2ccnc2,,,,,,1,1
1037 CC(O)C(=O)C,0,0,0,0,0,0,0
1038 CCCCCCCCP(=O)(O)O,0,0,0,0,0,0,0
1039 CCC(C)C(=O)OCCc1ccccc1,0,0,0,0,0,0,0
1040 Oc1ncnc2ccccc12,0,,0,0,0,,0
1041 OCC(O)C(O)C(O)C(=O)CO,0,0,0,0,0,0,0
1042 CC12CCC(=O)C=C1C=CC3C2CCC4(C)C3CCC45CCC(=O)O5,1,,1,1,,0,1
1043 OS(=O)(=O)c1ccc(C=C)cc1,0,0,0,0,,0,0
1044 COC(=O)c1ccc(C)cc1C2=NC(=O)C(C)(N2)C(C)C,0,0,0,0,0,0,0
1045 CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O,0,0,0,0,0,0,0
1046 CCCOc1sc(C(=O)N2CCC(CC2)c3cc(CN)ccc3F)c(C)c1Br,1,,,,,,1
1047 CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC,0,0,0,0,0,0,0
1048 Cc1cccc(C)c1NC(=O)CN2CCCC2=O,0,0,0,0,0,0,0
1049 OC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CS(=O)(=O)O)c4ccccc4,0,,0,,,,0
1050 OS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],,0,,,0,0,0
1051 OS(=O)(=O)c1ccccc1C=Cc2ccc(cc2)c3ccc(C=Cc4ccccc4S(=O)(=O)O)cc3,,,1,0,,1,1
1052 COc1cccc(c1)C2(O)CCCCC2CN(C)C,0,0,0,0,0,0,0
1053 CCc1ccc(CC)cc1,0,0,0,0,0,0,0
1054 COC(=O)c1cccc(Cl)c1,0,0,0,0,0,0,0
1055 NC(Cc1c[nH]cn1)C(=O)O,0,,0,0,0,,0
1056 Cc1c(cccc1[N+](=O)[O-])C(=O)O,,0,0,0,0,0,0
1057 CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,0,0,0,0,0,0,0
1058 C1CN(CCO1)SSc2nc3ccccc3s2,,0,1,,,,1
1059 CCOCC(C)O,0,0,0,0,0,0,0
1060 OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0,0,0,0,0,0,0
1061 CC(C)c1ccc(O)cc1,0,0,0,0,0,0,0
1062 CC(S)C(C)S,0,0,0,0,0,0,0
1063 CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)C,,1,,,,,1
1064 Cc1ccc(C=O)s1,0,0,0,,0,0,0
1065 CCCCCCCCCCCc1ccccc1,0,0,0,0,0,0,0
1066 CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2,,0,0,0,0,0,0
1067 CC(C)CC1N2C(=O)C(NC(=O)C3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)C7CCCN7C1=O)C(C)C,1,1,1,1,,1,1
1068 O=C(OC1CN2CCC1CC2)c3ccccc3,0,,,0,0,,0
1069 FC(F)(F)c1[nH]c(c2ccc(Cl)cc2)c(C#N)c1Br,,1,,,,,1
1070 CC(C)C1(C)N=C(NC1=O)c2ncccc2C(=O)O,0,0,0,0,0,0,0
1071 Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Oc3ccc(cc3Cl)C(F)(F)F)cc2F,,1,,0,,1,1
1072 O=C(C1CCC(=O)N1)N2CCCCC2,0,,0,0,0,0,0
1073 Oc1cc(Cl)c(Cl)cc1Cl,0,,0,0,0,0,0
1074 CC(C)(C)C1=NNC(=S)N(N)C1=O,0,0,0,0,0,0,0
1075 Nc1nc(N)nc(n1)c2cc(Cl)ccc2Cl,0,0,0,0,0,0,0
1076 OS(=O)(=O)CC(S)CS,0,,0,0,0,,0
1077 CCc1nn(C2CCCCC2)c3cc(ccc13)C4(CCC(CC4)C(=O)O)C#N,1,1,1,,,1,1
1078 CCCCCCCCSCCO,1,0,,0,0,0,1
1079 CCCCOC(=O)c1ccccc1C(=O)O,0,0,0,0,0,0,0
1080 CCCCOC(=O)C(=O)OCCCC,0,0,0,0,0,0,0
1081 CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3,,1,,,,1,1
1082 CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(C3=O)S(=O)(=O)C)c4ccccc4)C(=O)N2C1C(=O)O,1,,0,1,,,1
1083 CCCCCCCCCCCCCOP(=O)(O)O,1,,0,,0,,1
1084 CN(C)N=Nc1ccccc1,0,0,0,0,0,0,0
1085 Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],0,0,0,0,0,0,0
1086 CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,0,,0,0,0,,0
1087 COc1c(O)cc2C(=O)OC3C(O)C(O)C(CO)OC3c2c1O,0,,0,0,0,,0
1088 NS(=O)(=O)c1cc2c(NC(=NS2(=O)=O)CSCc3ccccc3)cc1Cl,0,0,0,0,0,0,0
1089 CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4,1,1,1,0,,1,1
1090 OC(CN1CCCCC1)c2cc(on2)c3ccccc3,0,1,0,1,0,,1
1091 C[N+](C)(C)Cc1ccccc1,0,0,0,0,0,0,0
1092 CC1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC2(O)CC(O)C(C(CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CCCC=CC=CC(C)C(O)C1C)O2)C(=O)O,0,,0,0,0,,0
1093 CC(C)(C)CC(C)(C)N,0,0,0,0,0,0,0
1094 CC(O)Cn1c(C)ncc1[N+](=O)[O-],0,0,,0,0,0,0
1095 NCC1OC(OC2C(N)CC(N)C(O)C2OC3OC(CO)C(O)C3O)C(N)C(O)C1O,0,,0,0,0,0,0
1096 Nc1cccc(O)c1,,0,0,,,,0
1097 Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C,,1,,,,,1
1098 CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,0,,0,,0,0,0
1099 OS(=O)(=O)CCCS(=O)(=O)O,0,,0,0,0,,0
1100 CCC(C)C(N)C(=O)O,0,0,0,0,0,0,0
1101 Cn1cnc2ncnc(N)c12,0,0,0,0,0,0,0
1102 CCCC[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,0,0,0,0,0,0,0
1103 CCC(=O)OC(C)c1ccccc1,0,0,0,0,0,,0
1104 OCCSCCO,0,0,0,0,0,0,0
1105 c1ccsc1,,,,,0,0,0
1106 CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3,1,0,,,1,0,1
1107 NC(=O)CN1CCCC1=O,0,0,0,0,0,0,0
1108 CN1CCN(CC1)c2ccccc2C=C3SCCN(C3=O)c4ccc(Cl)c(Cl)c4,,,,,,1,1
1109 [O-][N+](=O)c1cccc(c1)S(=O)(=O)NCCNS(=O)(=O)c2cccc(c2)[N+](=O)[O-],0,0,0,0,0,0,0
1110 O=C=NC1CCCCC1,,1,0,1,0,0,1
1111 C(Cc1ccccc1)Cc2ccncc2,,,,1,0,0,1
1112 OC(=O)CCCCCCCCCCC(=O)O,0,0,0,0,0,0,0
1113 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34,0,0,0,0,0,0,0
1114 O=CNNC=O,0,0,0,0,0,0,0
1115 OC(=O)C1=NC(=O)NC(=O)N1,0,,0,0,0,,0
1116 Cc1ncc([N+](=O)[O-])n1CCO,0,0,0,0,0,0,0
1117 CC(O)C1CCCCC1,0,0,0,0,0,0,0
1118 CCCC[n+]1ccccc1C,0,0,0,0,0,0,0
1119 CC(C)N(CCO)C(C)C,0,0,0,0,0,0,0
1120 CC(=O)CC(C)(C)O,0,0,0,0,0,0,0
1121 CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,0,0,0,0,0,0,0
1122 CCCCCCCCC=O,0,,0,0,0,0,0
1123 Cc1cc2CCN3C(=O)C(NC(=O)c4ccncc4)N=C(c5ccccc5)c(c1)c23,,0,,0,,1,1
1124 CC1C2C(O)C3C(N(C)C)C(=O)C(=C(O)C3(O)C(=C2C(=O)c4c(O)cccc14)O)C(=O)N,0,,0,0,0,,0
1125 N#CNC#N,0,0,0,0,0,0,0
1126 CN1CCCC1c2cccnc2,0,0,0,0,0,0,0
1127 Clc1ccccc1,0,0,0,0,0,0,0
1128 CCCC[N+](C)(CCCC)CCCC,0,0,0,0,0,0,0
1129 FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl,,1,,,,,1
1130 NNC(=S)N,,1,0,0,0,0,1
1131 c1ccc2scnc2c1,0,0,0,0,0,0,0
1132 CCOC(=O)CCC(=O)OCC,0,0,0,0,0,0,0
1133 COc1nc(C)nc(N)n1,0,0,0,0,0,0,0
1134 COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2,1,,1,,1,0,1
1135 CCOC1Oc2ccc(OS(=O)(=O)C)cc2C1(C)C,,1,,0,0,0,1
1136 Oc1cc(Cl)c(Cl)c(Cl)c1Cl,,1,,,,,1
1137 CN(C)N=O,0,0,0,0,0,0,0
1138 CCCCCCCCCCCCCCO,0,0,0,0,0,0,0
1139 [O-][n+]1ccccc1SSc2cccc[n+]2[O-],1,,,,,1,1
1140 NCCCNCCSP(=O)(O)O,0,0,0,0,0,0,0
1141 CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13,0,,0,,0,,0
1142 CNC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O,1,,0,0,,,1
1143 CCC(NC(=O)c1cc(F)ccc1NS(=O)(=O)c2cccc3cccnc23)c4ccccc4,1,,,,,,1
1144 CC(=O)Nc1ccc(C=NNC(=S)N)cc1,0,0,0,,0,0,0
1145 Cc1ccc(cc1N=C=O)N=C=O,0,0,0,,0,0,0
1146 Fc1cccc(F)c1C#N,0,0,0,0,0,0,0
1147 C1COCCO1,0,0,0,0,0,0,0
1148 CCN(CC)c1ccccc1,0,0,0,0,0,0,0
1149 NC(=N)S(=O)O,0,0,0,0,0,0,0
1150 CCCCN=C(N)N=C(N)N,,1,0,0,0,0,1
1151 CCCCCC=O,0,0,0,0,0,0,0
1152 NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc3ccc(O)cc3)NC(=O)CCSSCC(NC(=O)C(CC(=O)N)NC1=O)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,0,0,0,0,0,0,0
1153 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,0,,0,1,0,0,1
1154 COCc1nnc(c2ccc[n+]([O-])c2)n1c3c(Cl)c(Cl)cc4nc(O)c(O)nc34,0,0,0,0,0,0,0
1155 [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1,0,1,1,0,,,1
1156 CC(O)COC(C)(C)C,,0,0,0,0,0,0
1157 CCc1cnc(C2=NC(=O)C(C)(N2)C(C)C)c(c1)C(=O)O,0,0,0,0,0,0,0
1158 CC(C)(C)c1csc(n1)c2oc3ccc(OCc4ccccc4CC(=O)O)cc3c2,,,,,,1,1
1159 Cc1ccc(cc1)C#N,0,0,0,0,0,0,0
1160 CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc3ccc4nonc4c3)cc1,,1,0,0,,0,1
1161 OC(COCC=C)CS(=O)(=O)O,0,0,0,0,0,0,0
1162 O=C1NC(=O)C2C3CC(C=C3)C12,0,,0,0,0,,0
1163 OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0,0,0,0,0,0,0
1164 CC=CCC=CCCCCCCCCOC(=O)C,,0,1,,,1,1
1165 CCc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Br)cc3)C(=O)NN4CCCCC4,1,1,,1,,1,1
1166 Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl,1,,,0,1,,1
1167 OCCO,0,0,0,0,0,0,0
1168 OCC(CO)(CO)CO,0,0,0,0,0,0,0
1169 CNC(=O)ON=CC(C)(C)SC,0,0,0,0,0,0,0
1170 CCOc1cc(ccc1C2COC(=N2)c3c(F)cccc3F)C(C)(C)C,1,,,,,,1
1171 ONC(=O)c1ccccc1,,0,0,,,0,0
1172 COC(=O)c1ccc2cc(ccc2c1)C(=O)OC,0,0,0,,0,0,0
1173 Oc1cc(O)c(Cl)cc1Cl,0,,0,0,0,0,0
1174 CCCCCCCCC=CCCCCCCCC(=O)OCCCC,0,0,0,0,0,,0
1175 CC(=O)Nc1ccc(cc1)C(=O)CCl,1,,0,,,,1
1176 OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c(O)c(I)cc24)I,1,,1,0,,,1
1177 CC(=O)CC(=O)Nc1ccc(C)cc1C,0,0,0,0,0,,0
1178 CC(=CCCC(C)(OC(=O)C=Cc1ccccc1)C=C)C,,0,0,,,0,0
1179 Cc1ccsc1C(=CCCN2CCCC(C2)C(=O)O)c3sccc3C,0,0,0,0,0,0,0
1180 Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1,,,,1,,,1
1181 COP(=O)(C)OC,0,0,0,0,0,0,0
1182 CN1CCC(CN2c3ccccc3Sc4ccccc24)C1,,,,0,,,0
1183 CC(=O)c1ccccn1,0,0,0,0,0,0,0
1184 CC(COc1ccccc1)NN,0,0,0,0,0,0,0
1185 CC(C)CC(=NO)C,0,0,0,0,0,0,0
1186 Cc1ccc(cc1C)S(=O)(=O)O,0,0,0,0,0,0,0
1187 OCCN1CCN(CCC=C2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,,0,,,,,0
1188 CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC,0,0,0,0,0,0,0
1189 CS(=O)(=O)c1ccc(cc1)C(O)C(CF)NC(=O)C(Cl)Cl,0,,0,0,0,0,0
1190 NC(=O)c1cc[n+](CC2=C(N3C(SC2)C(NC(=O)C(c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1,0,,0,0,0,,0
1191 CC(=O)C=C,0,0,,0,0,0,0
1192 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,0,0,0,,0,0
1193 CCOC(=O)OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC)cc34,1,,0,0,,,1
1194 OC(=O)C=CC(=O)O,0,0,0,0,0,0,0
1195 COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl,,1,,1,1,0,1
1196 CCCCCCCCn1cc[n+](C)c1,1,1,,1,1,0,1
1197 C[N+](C)(C)CC(=O)O,0,0,0,0,0,0,0
1198 Cc1ccccc1OCC2CO2,0,0,0,0,0,,0
1199 Oc1ccc2ccccc2c1N=Nc3ccccc3,0,,0,0,0,0,0
1200 Cc1ccc(C=C)cc1,0,0,0,0,0,0,0
1201 OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C(=O)Sc6ccccc16,,1,,,,1,1
1202 NCCCNCCCN,,,1,,,0,1
1203 SCC(=O)Nc1ccccc1,1,1,1,0,,1,1
1204 CNC(=O)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C,0,0,0,,,0,0
1205 Oc1cccc(c1)C(=O)c2ccccc2,,1,0,1,0,,1
1206 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C)c3csc(N)n3,,0,0,0,0,0,0
1207 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N,1,1,0,1,,0,1
1208 CCCCc1ccc(Cl)cc1,0,0,0,0,0,0,0
1209 CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,,1,,1,,,1
1210 NCCOCCOCCN,,0,0,0,0,0,0
1211 c1cc2ccc3cccc4ccc(c1)c2c34,,1,0,0,0,0,1
1212 CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,1,1,,0,1,,1
1213 CC(=O)Nc1cccc(O)c1,,0,0,0,0,0,0
1214 Brc1cc2ccccc2c3ccccc13,0,0,0,0,0,0,0
1215 CCC(C)COC(=O)C=Cc1ccc(cc1)N=Cc2ccc(OC)cc2,1,1,0,,,0,1
1216 CC(=O)OCCc1ccccc1,0,0,0,0,0,0,0
1217 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,,1,,1,1,1,1
1218 OS(=O)CNc1ccc(cc1)S(=O)(=O)c2ccc(NCS(=O)O)cc2,0,,0,0,0,,0
1219 COC(=O)C(N)CCCN=C(N)N[N+](=O)[O-],0,0,0,0,0,0,0
1220 Brc1ccc(Oc2ccccc2)cc1,0,0,0,0,0,0,0
1221 ClCc1cccc(C=C)c1,0,0,0,0,0,0,0
1222 CN1C(C)(C)CC(O)CC1(C)C,0,0,0,0,0,0,0
1223 CNC(=O)Oc1ccc(N(C)C)c(C)c1,,,0,0,0,0,0
1224 CN(C)Cc1ccccc1O,0,0,0,0,0,0,0
1225 CCCCCCCCCCCCN,0,0,0,,0,1,1
1226 Fc1ccc(cc1)C(N2CCN(CC2)c3nc(NCC=C)nc(NCC=C)n3)c4ccc(F)cc4,,1,,,,,1
1227 Clc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4,,1,,,,1,1
1228 CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1,0,0,0,0,,,0
1229 CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC,0,1,0,,1,0,1
1230 CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)O,0,0,0,0,0,0,0
1231 COC1(NC(=O)CSC(F)F)C2OCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CCO,0,0,0,0,0,0,0
1232 CC(=O)c1cnccn1,0,0,0,0,0,0,0
1233 CC(C)CC(=O)OCc1ccccc1,0,0,0,0,0,0,0
1234 COc1ccc2cc3c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC,,,0,0,0,0,0
1235 CC(C)(C)C1(CCc2ccc(Cl)cc2)CO1,0,0,0,0,0,0,0
1236 CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+](=O)[O-],1,,1,1,,0,1
1237 CC(C)C(SC(=O)C)C(=O)NC1Cc2ccccc2C3CCCC(N3C1=O)C(=O)O,0,0,0,0,0,0,0
1238 CN(C1CCCCC1)S(=O)(=O)c2ccccc2N,,,,0,0,0,0
1239 CC(C)CP(=S)(S)CC(C)C,,0,0,0,0,0,0
1240 CCN,0,0,0,0,0,0,0
1241 CC(=O)c1ccc(cc1)c2ccccc2,,1,,,,,1
1242 OCCC1CCCCN1,0,0,,0,,0,0
1243 NC1CCN(C1)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,1,,0,0,1,1,1
1244 Oc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
1245 C1Cc2cccc3cccc1c23,0,0,0,0,0,0,0
1246 OC(=O)CN(CC(=O)O)c1sc(C(=O)O)c(CC(=O)O)c1C#N,0,,0,0,0,,0
1247 CC(C)(C)C(=O)C(Cl)Cl,0,0,0,0,0,0,0
1248 CC(C)(C)c1ccc(cc1)C(=O)O,0,0,,0,0,0,0
1249 CCC(C)c1ccc(O)cc1,0,0,0,0,0,0,0
1250 CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C,0,,0,0,0,0,0
1251 C=CC(=O)OCCC#N,0,0,,,,1,1
1252 CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC,1,1,,0,,0,1
1253 COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C,0,,0,0,,0,0
1254 ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl,0,0,0,0,0,0,0
1255 OC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c45,0,,0,0,0,,0
1256 O=C1CCCCC1CN2CCCCC2,0,,0,0,0,,0
1257 CCCc1ccc(N)cc1,0,,0,0,0,0,0
1258 COC1CN(CCO1)C2CC(OC3CC(O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)CO)OC(C)C2O,,1,,,,,1
1259 CCCCCCCCCCCCCC[n+]1ccccc1,1,1,,1,,,1
1260 CC(C)(C)C1CCC(=O)CC1,0,0,0,,0,0,0
1261 CCOC(=O)c1ccccc1O,0,0,0,0,0,0,0
1262 CCCN(CCc1cccs1)C2CCc3c(O)cccc3C2,,0,0,,,0,0
1263 COC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1,1,,,0,0,0,1
1264 ClC1=C(Cl)C1(Cl)Cl,0,0,0,0,0,,0
1265 CCCNCCC,0,,0,0,,0,0
1266 CC(=O)Oc1ccc(C)cc1,0,0,0,0,0,0,0
1267 COC(=O)C=CC(=O)O,0,0,0,0,0,0,0
1268 [O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1,,1,,1,,,1
1269 CC(C)C1N2C(=O)C(NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(OC2(O)C7CCCN7C1=O)C(C)C,0,,,0,,,0
1270 C(N1CCCCC1)N2CCCCC2,0,0,0,0,,0,0
1271 OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0
1272 CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2,0,0,0,0,0,0,0
1273 BrC(Br)Br,0,,0,0,0,0,0
1274 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)c3csc(N)n3,0,,0,0,0,,0
1275 CC1(C)SC2C(NC(=O)C(c3ccccc3)S(=O)(=O)O)C(=O)N2C1C(=O)O,0,0,0,0,0,0,0
1276 ClC(=O)c1ccc(cc1)C(=O)Cl,0,0,0,0,0,0,0
1277 CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO,,1,,,,,1
1278 Nc1ccc(F)cc1,0,,0,0,0,,0
1279 CC(COC(C)(C)C)OCCCO,,0,0,0,,0,0
1280 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC,0,0,0,0,,0,0
1281 CCN(CCN)c1cccc(C)c1,0,0,0,0,,0,0
1282 COC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0
1283 Cc1c2ccccc2c(C)c3c1ccc4ccccc34,,1,1,,,,1
1284 CCCc1nc(c(C(=O)OCC2=C(C)OC(=O)O2)n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5)C(C)(C)O,0,,0,0,0,,0
1285 c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,1,1,1,,1,1,1
1286 CC1CC=CC=CC=CC=CC(CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O)OC4OC(C)C(O)C(N)C4O,,,0,0,0,,0
1287 CCCN(CCC)C(=O)SCC,0,0,0,0,,0,0
1288 CCCCCC(=O)OCC,0,0,0,0,0,0,0
1289 CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c3ccccc13,0,,0,0,,,0
1290 On1nnc2ccccc12,,0,0,0,0,0,0
1291 CCOc1ccc(NC(=S)Nc2ccc(OCC)cc2)cc1,0,,0,0,0,,0
1292 CCC1(CCC(=O)NC1=O)c2ccc(N)cc2,0,0,0,,0,0,0
1293 CC(Cc1ccc(OCC(=O)O)cc1)NCC(O)c2csc(n2)C(F)(F)F,0,0,0,0,1,,1
1294 CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(=O)O,,,1,1,1,,1
1295 COC(=C1C(C(=C(C)N=C1C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])O,1,1,1,,,1,1
1296 CCCN1CCCC(C1)c2cccc(O)c2,0,,0,0,0,,0
1297 COC(=O)c1ccccc1OC,0,0,0,0,0,,0
1298 C1CSCCS1,0,0,0,0,0,0,0
1299 OC1C(COC(=O)c2cccnc2)(COC(=O)c3cccnc3)CCCC1(COC(=O)c4cccnc4)COC(=O)c5cccnc5,,,0,0,0,0,0
1300 CCCC(=O)OCC=C(C)CCC=C(C)C,0,0,0,0,0,0,0
1301 CCCCCCCCCCC1CO1,0,0,0,0,0,0,0
1302 Nc1cc(ccc1C(=O)O)[N+](=O)[O-],0,0,0,0,0,0,0
1303 FC(COC1CCC(CC1)Nc2[nH]cnc3nncc23)c4ccccc4F,1,1,,,,,1
1304 CC(COCCO)OCCO,0,0,0,0,0,0,0
1305 CCOC(=O)c1ccc(I)cc1,,,,,0,0,0
1306 CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O,,1,,,,,1
1307 [O-][N+](=O)c1ccc(cc1)C(=O)Cl,0,0,0,0,,0,0
1308 CC(C)NC(=O)C=C,0,0,0,0,0,0,0
1309 CC(CO)CO,0,0,0,0,,0,0
1310 OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
1311 CC(C)NNC(=O)c1ccncc1,0,1,0,0,,0,1
1312 BrC(Br)(Br)C=O,,1,,,,1,1
1313 OC1CCCc2ccccc12,0,0,0,0,0,0,0
1314 CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c2ccccc2,0,1,0,1,,0,1
1315 CN(C)C(=O)Nc1ccc(Cl)cc1,0,0,0,0,0,0,0
1316 CCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCC,0,0,0,0,0,0,0
1317 CC=C(CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C,0,,,0,,,0
1318 CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,0,1,0,0,,,1
1319 Nc1ccccc1c2ccccc2,0,,0,0,0,1,1
1320 ClN1C(=O)CCC1=O,0,0,0,0,0,0,0
1321 NC(=O)CCCCC1CCSS1,0,1,,0,0,0,1
1322 CCN(CC)CCc1onc(n1)c2ccccc2,0,,0,0,0,0,0
1323 Oc1ccccc1C=NNC(=O)c2ccncc2,,1,1,,1,,1
1324 COc1cc2NC(=O)NC(=O)c2cc1OC,0,0,0,0,0,0,0
1325 CCCOCCOCCOCCO,0,0,0,0,0,0,0
1326 CCCCCCCCCCl,0,0,0,0,0,0,0
1327 NCCCCC(N)C(=O)O,0,,0,0,0,,0
1328 CC(C)c1cccc(C(C)C)c1O,0,0,0,0,0,0,0
1329 CCCCCCCC(=O)CCC1C(O)CC(O)C1CC=CCCCC(=O)OC(C)C,,,,0,,,0
1330 CC(C1=C(CCN(C)C)Cc2ccccc12)c3ccccn3,0,0,0,0,,0,0
1331 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC2(C)C1(O)C(=O)CO,1,0,1,,0,0,1
1332 CN=C=O,0,0,0,0,0,0,0
1333 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,0,0,0,0,0,0,0
1334 Oc1nnnc2ccccc12,0,0,0,0,0,0,0
1335 CC(C)(N=NC(C)(C)C#N)C#N,0,0,0,0,0,0,0
1336 CCCCCSCCCCC,0,0,0,0,0,,0
1337 CN1CCC(=C2c3ccccc3CCc4sccc24)CC1,,,0,0,,0,0
1338 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,1,0,1,,1,1
1339 CCC1(CC)C(=O)NC(=O)N(C)C1=O,0,,0,0,0,,0
1340 CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C1=O,1,,,,,,1
1341 CCc1ccc(O)c(OC)c1,0,0,0,0,0,0,0
1342 COC(=O)c1cncn1C(C)c2ccccc2,0,0,0,0,0,0,0
1343 CCCCCCCCCCCCCCCCCCO,0,0,0,0,0,0,0
1344 CCCCN(CCC(=O)OCC)C(=O)C,0,0,0,0,0,0,0
1345 Oc1ccccc1Cc2ccccc2O,,,0,0,,1,1
1346 CN(C)CCOC(=O)C(=C)C,0,0,0,0,0,0,0
1347 Oc1ccc(O)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0
1348 CSC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)C,0,0,,,,0,0
1349 CC1=C(Br)C(=O)C(=CC1=C(c2cc(Br)c(O)c(Br)c2C)c3ccccc3S(=O)(=O)O)Br,,,0,,,0,0
1350 CNC(=S)S,0,0,0,0,0,0,0
1351 CCC(C)c1cc(cc(c1OC(=O)OC(C)C)[N+](=O)[O-])[N+](=O)[O-],,1,,,,1,1
1352 S(Sc1nc2ccccc2s1)c3nc4ccccc4s3,0,0,0,0,0,0,0
1353 CCN(CC)C(C)C(=O)c1ccccc1,0,0,0,0,0,0,0
1354 CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl,,,,1,,,1
1355 CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,1,0,0,0,,0,1
1356 O=C(OCCCc1ccccc1)C=Cc2ccccc2,0,,0,1,0,0,1
1357 NCCCCC(NC(=O)C1CCCN1C(=O)C2CSSCC(N)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(Cc4ccccc4)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,0,,0,0,0,,0
1358 Oc1cc(Cl)cc(Cl)c1,1,,0,,1,0,1
1359 CCN(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12,1,1,1,,1,,1
1360 CC(=O)NNc1ccccc1,0,1,,0,,1,1
1361 OCCN1CCNC1=O,0,0,0,0,0,0,0
1362 CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C2OC(SC)C(OP(=O)(O)O)C(O)C2O,0,,0,0,0,,0
1363 C1CC=CCCC=CCCC=C1,0,0,,0,0,,0
1364 CCOC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCc3ccc(cc3)C(=N)NO,0,,0,0,0,,0
1365 CC(CNC(=O)c1cccnc1)NC(=O)c2cccnc2,0,,0,0,0,,0
1366 COC(=O)N=NC=C1C=[N+]([O-])c2ccccc2N1O,0,0,0,0,0,0,0
1367 CON=C(C1=NOCCO1)c2ccccc2Oc3ncnc(Oc4ccccc4Cl)c3F,1,1,,,1,1,1
1368 CC1=Nc2ccccc2C1(C)C,0,,0,,0,0,0
1369 COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2,0,0,0,0,0,0,0
1370 CC1NC(=O)C(N)CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CNC(=O)CC(N)CCCN)NC1=O)C2CCN=C(N)N2,0,0,0,0,0,0,0
1371 COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC,,,,,1,,1
1372 CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O,0,0,0,0,0,0,0
1373 CC(Cl)(Cl)C(=O)O,0,0,0,0,0,0,0
1374 CC(=C)c1ccccc1,0,,0,0,0,0,0
1375 CCC=CCCOC(=O)C,0,0,0,0,0,0,0
1376 Brc1ccc(c(Br)c1Br)c2cc(Br)c(Br)c(Br)c2,0,,,0,1,0,1
1377 CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1,0,0,0,0,0,0,0
1378 NCCOCCO,0,0,0,0,0,0,0
1379 CSc1nc(NC(C)C)nc(NC(C)C)n1,0,0,0,0,0,,0
1380 Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3,1,1,0,1,,,1
1381 CCCCNc1ccccc1,0,0,,0,0,0,0
1382 C=CCNCC=C,0,0,0,0,0,0,0
1383 O=S(=O)(N1CCCNCC1)c2cccc3cnccc23,,1,0,1,0,0,1
1384 OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,,0,0,0,0,0,0
1385 NNCc1ccccc1,1,1,0,1,,0,1
1386 CN(C)CCO,0,0,0,0,0,0,0
1387 CN1CCC(CC1)Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2,1,,1,,,1,1
1388 CCON=O,0,,0,0,0,,0
1389 CCCCCCC(O)CCOC(=O)C,0,0,0,0,0,0,0
1390 NNCCO,0,0,0,0,0,0,0
1391 CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,0,0,0,0,0,0,0
1392 CCN(CC)CCCC(C)Nc1cc(C=Cc2ccccc2Cl)nc3cc(Cl)ccc13,,,0,,,,0
1393 COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1,0,,0,0,0,,0
1394 CC1=CC(=O)c2ccccc2C1=O,0,1,0,0,,,1
1395 Oc1cc(cc2cc(Nc3ccccc3)ccc12)S(=O)(=O)O,,0,0,0,0,0,0
1396 CCCCCCCCCC=CCC1CC(=O)OC1=O,1,1,1,0,1,,1
1397 CCN1C(=O)NC(C1=O)c2ccccc2,,,0,0,0,,0
1398 CCCCC(CC)COCCCN,0,0,0,0,,0,0
1399 CCC1(C)CC(=O)NC(=O)C1,0,,0,0,0,,0
1400 CC(=O)OCC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,1,1,1,0,,1
1401 CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C,0,,0,0,1,0,1
1402 c1ccc2[nH]nnc2c1,0,0,0,0,0,0,0
1403 C=CCCCCCCCCC=O,1,,0,0,,,1
1404 CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C,0,,0,0,,0,0
1405 CC(C)N(C(=O)CCl)c1ccccc1,1,1,1,,,1,1
1406 CCC(C)Br,0,0,0,0,0,0,0
1407 CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3,0,0,0,0,0,0,0
1408 O=C(OC(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
1409 CC(C)CC(O)CC(C)C,0,0,0,0,0,0,0
1410 CCCC(=O)c1ccccc1,0,0,,0,0,0,0
1411 OC(=O)CCSSCCC(=O)O,0,0,0,0,0,0,0
1412 OC(=O)c1nn(c(O)c1N=Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3)S(=O)(=O)O,0,0,0,0,0,0,0
1413 ClC(Cl)(Cl)Br,0,0,0,0,0,0,0
1414 Cc1ccc(cc1)S(=O)(=O)O,0,,0,0,0,0,0
1415 CCCCOC(=O)CCCCCCCCC=C,0,0,0,0,0,0,0
1416 O=C(OCc1ccccc1)C=Cc2ccccc2,1,,0,0,0,0,1
1417 CC(=O)Nc1ccc(cc1)N=Nc2cc(C)ccc2O,,1,,,,,1
1418 Cc1onc(c1)C(=O)NNCc2ccccc2,0,1,0,,0,,1
1419 O=C(CN1CCNCC1)NC2CCCCC2,0,0,0,0,0,0,0
1420 Oc1ccc(Cl)c2cccnc12,,1,0,,,,1
1421 Cc1cccc(c1)[N+](=O)[O-],0,0,0,0,0,0,0
1422 Clc1ccc2C(=O)c3ccccc3C(=O)c2c1,0,0,0,0,0,0,0
1423 CCCCCCCCCCCCCCC(CO)NC(=O)CCCCCCCCCCCCCC,0,0,0,0,0,0,0
1424 CCNC(=O)C1CC(C)CCC1C(C)C,0,0,0,0,0,0,0
1425 CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2,0,0,0,0,0,0,0
1426 CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl,1,,,0,,,1
1427 CNCC(O)c1cccc(O)c1,0,0,0,0,0,0,0
1428 NNC(=O)CP(=O)(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
1429 OC1(CCCCC1)C#C,0,0,0,0,0,0,0
1430 CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,,,0,0,0,1,1
1431 CCCCOC(=O)C(=O)Nc1cccc(c1)c2nn[nH]n2,0,,0,0,0,,0
1432 O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,0,0,0,0,0,0,0
1433 Nc1nc(cs1)c2ccccc2,,1,1,1,0,,1
1434 CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4,1,0,,0,,,1
1435 NC1CCC(CC2CCC(N)CC2)CC1,,,0,0,0,0,0
1436 Clc1ccc2C(=O)NSc2c1,,,,,,1,1
1437 CCC(C)(C)C,0,0,0,0,0,0,0
1438 Nc1nc(F)nc2c1ncn2C3OC(CO)C(O)C3O,0,0,0,0,,0,0
1439 CCCCCCCCNC,0,0,0,0,0,,0
1440 SCCOCCOCCS,0,0,,,0,0,0
1441 OS(=O)(=O)CNNC(=O)c1ccncc1,0,,0,0,0,,0
1442 CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N,1,1,,,,,1
1443 CC1=C(N2C(SC1)C(NC(=O)C(N)C3=CCC=CC3)C2=O)C(=O)O,0,0,0,0,0,0,0
1444 C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14,,1,1,,,,1
1445 CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC,0,0,0,0,0,0,0
1446 CC(C)(C)OC(=O)c1ccc(O)cc1,,1,1,1,0,0,1
1447 Cc1cccc(C)c1NC(=O)CN2CCCCCC2,0,0,0,0,0,0,0
1448 C(N1CCNCC1)c2ccccc2,0,,0,0,0,0,0
1449 OC(=O)c1cccc(Cl)c1Cl,,0,0,0,0,0,0
1450 OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3,1,1,1,1,,1,1
1451 Nc1nc(Cl)cc(Cl)n1,0,0,0,0,0,0,0
1452 CCC(=O)OC(=O)CC,0,0,0,0,0,0,0
1453 Clc1ccc(CC2C(=O)N=C3SCCN3C2=O)cc1,,,0,0,0,,0
1454 Oc1c(Cl)cccc1Cl,,,0,,0,0,0
1455 CC(Cc1ccc2OCOc2c1)NO,0,0,0,0,0,0,0
1456 CC(C)c1ccc(C)cc1,0,0,0,0,0,0,0
1457 CC(C)CCOCc1ccccc1,0,0,0,0,0,0,0
1458 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,0,0,0,0,0,0,0
1459 CC(C)C(N1CCCNC1=O)C(=O)NC(CC(O)C(Cc2ccccc2)NC(=O)COc3c(C)cccc3C)Cc4ccccc4,,1,,,,,1
1460 CC(=O)OC1C(CC2C3CCC4CC(O)C(CC4(C)C3CCC12C)N5CCOCC5)[N+]6(CC=C)CCCC6,1,,,,0,,1
1461 CN1C(=O)C=C(NCCN(CCO)CCCc2ccc(cc2)[N+](=O)[O-])N(C)C1=O,0,0,,,0,0,0
1462 OCCSCSCCO,0,0,0,0,0,0,0
1463 O=C1NCN(c2ccccc2)C13CCN(CC4COc5ccccc5O4)CC3,0,,0,0,,0,0
1464 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)cc(C)c2O1,,0,0,0,0,0,0
1465 O=C(CCC1CCN(Cc2ccccc2)CC1)c3ccc4CCCCNc4c3,,1,0,,,0,1
1466 CCC12CCCN3CCc4c(C13)n(c5ccccc45)C(O)(C2)C(=O)OC,0,0,0,0,,0,0
1467 CC(=O)Nc1ccccc1O,,0,0,0,0,0,0
1468 CN1C(CNc2ccc(cc2)C(=O)NC(CCC(=O)O)C(=O)O)CNc3nc(N)nc(O)c13,0,,0,0,0,,0
1469 CN(C)C(Cc1ccccc1)c2ccccc2,0,,0,0,0,,0
1470 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F,,,1,,,0,1
1471 CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,,1,1,,1,1,1
1472 COc1cc(ccc1OC(F)F)c2ccc(O)nn2,0,1,1,0,,0,1
1473 CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C,1,1,1,1,1,,1
1474 CC(=CCOC(=O)C)C,0,0,0,0,0,0,0
1475 CCCCCCCCCCCCCCCCI,0,0,0,0,0,0,0
1476 CC(C)CO,0,0,0,0,0,0,0
1477 Cc1cccc(c1O)C(C)(C)C,0,,0,,0,0,0
1478 CCCCC1CCC(O)CC1,0,0,0,0,0,0,0
1479 Oc1c2ccccc2c(O)c3c1cc(Cl)c4nc5c6C(=O)c7ccccc7C(=O)c6cc(Cl)c5nc34,,0,0,0,0,0,0
1480 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,1,,,,,,1
1481 CN(C)CCOCCO,0,0,0,0,0,0,0
1482 CCCCCCCCCC[N+](C)(C)[O-],0,0,,0,0,0,0
1483 OC(=O)C=Cc1ccc(O)c(O)c1,,0,0,0,0,0,0
1484 Cc1ccc(cc1)S(=O)(=O)C(I)I,,1,,,,,1
1485 Oc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0
1486 CCCCCCCCCCCCCCN(CCO)CCO,,1,,,,,1
1487 OC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0
1488 Cc1ccc2ccccc2c1C,0,0,0,0,0,0,0
1489 [O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0,0,0,0,0,0,0
1490 CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,0,0,0,0,0,,0
1491 COc1c2OC(=CC(=O)c2c(OC)c3ccoc13)C,0,0,0,0,0,0,0
1492 CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C,,0,1,,,0,1
1493 OC1OCCOC1O,0,0,0,0,0,,0
1494 CCCCCCCCCCCCOCCCN,0,,0,0,0,,0
1495 CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-],0,0,0,0,0,0,0
1496 CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1,1,1,,1,0,0,1
1497 CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=C(O)C1=O)O,0,0,,0,0,0,0
1498 Cc1ccc2c(c1)c3CCCC4NCCn2c34,0,0,0,0,,,0
1499 Nc1ccc(N)c2ccccc12,1,,,,,,1
1500 Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2,0,0,0,0,0,0,0
1501 CC(O)CC(C)O,0,0,0,0,0,0,0
1502 O=C1CCCCCCCCCCC=CCCC1,0,0,0,,,1,1
1503 o1cccc1,0,,0,0,,0,0
1504 CCOC(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SC(=O)OCC,0,0,0,0,0,0,0
1505 C1NCC2CC1c3cc4nccnc4cc23,,0,0,0,0,0,0
1506 CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1,0,0,0,0,0,0,0
1507 CN1CCCC(=C(c2cccs2)c3cccs3)C1,0,,0,0,0,,0
1508 CCCCC,0,0,0,0,0,,0
1509 CCCCCCCCCCCCCCNCCO,0,,0,,1,,1
1510 O=C1N(SC2CCCCC2)C(=O)c3ccccc13,,1,,,,1,1
1511 COS(=O)(=O)C(F)(F)F,,0,0,,0,0,0
1512 CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
1513 O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c4ccccc4,0,0,0,0,,0,0
1514 CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)C=CC(=CC1COC4OC(C)C(O)C(OC)C4OC)C,0,,0,0,0,,0
1515 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)O,0,0,0,0,0,0,0
1516 CCOC(C)(C)C,0,0,0,0,0,0,0
1517 FC(F)(F)C(=O)CC(=O)c1ccccc1,,1,0,1,,,1
1518 CC(=O)c1ccc2ccccc2c1,0,,0,0,0,0,0
1519 CCCCCCCCCCCC(=O)C,0,,0,0,0,0,0
1520 CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1,0,0,0,0,,0,0
1521 C1CCC(CC1)(N2CCCC2)c3ccccc3,,,,0,,,0
1522 [O-][N+](=O)c1ccc2[nH]ncc2c1,,0,0,0,0,0,0
1523 Cc1ccc2cccnc2c1,0,0,0,0,0,0,0
1524 SC(=S)NCCNC(=S)S,0,0,0,0,0,0,0
1525 Nc1c(Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,,1,,,,,1
1526 OC(=O)CCSCCC(=O)O,0,,0,0,0,0,0
1527 CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O,,,0,0,0,,0
1528 CCC(=O)N(C1CCN(CC1)C(C)Cc2cccs2)c3ccccc3,,1,,0,,0,1
1529 CCCC(=NOCC=C)C1=C(O)C(=C(O)OC)C(C)(C)CC1=O,0,0,0,0,0,0,0
1530 OS(=O)(=O)SSS(=O)(=O)O,0,0,0,0,0,0,0
1531 BrCCCCCCBr,0,0,0,0,0,0,0
1532 CCOc1ccccc1N,0,,0,0,0,0,0
1533 CCCOC(C(=O)OC1CCN(C)CC1)(c2ccccc2)c3ccccc3,,0,0,0,,,0
1534 CCOC(=O)CCCCCCCCC=C,0,0,0,0,0,0,0
1535 CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,0,0,0,0,0,0,0
1536 CCC(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,0,,,0,1,1,1
1537 Clc1cccc(Cl)c1C=O,0,0,0,0,0,0,0
1538 COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)cc2O)cc1O,0,0,0,0,0,0,0
1539 N#Cc1ccccn1,0,0,0,0,0,0,0
1540 COCCOC,0,,0,0,0,0,0
1541 CCc1ccccc1CC,0,0,0,0,0,0,0
1542 COC(=O)C(CN)c1c[nH]c2ccc(OC)cc12,0,,0,0,0,,0
1543 Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br,0,,0,0,0,,0
1544 Nc1nc(cs1)c2ccc(cc2)[N+](=O)[O-],,1,0,1,0,0,1
1545 [O-][N+](=O)c1ccc(F)c(Cl)c1,0,0,0,0,0,0,0
1546 Oc1c(Br)c(Br)c(Br)c(Br)c1Br,,1,,,,1,1
1547 C=CC(=O)OCCCCCCOC(=O)C=C,1,1,1,,,1,1
1548 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-],1,,0,,0,0,1
1549 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C=Cc3scnc3C)c4csc(N)n4,0,,0,0,0,,0
1550 ClCc1ccccc1Cl,,0,0,0,0,0,0
1551 Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(OC=O)c4ccccc4)C3=O)C(=O)O,0,,0,0,,,0
1552 CC1(C)CCCC2(C)C3CCC(C13)C2=C,0,0,0,0,0,0,0
1553 CCOC(=O)C1OC1c2ccccc2,0,0,0,0,0,0,0
1554 CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4=C3C=CC12C,1,1,,0,0,,1
1555 O=CN1CCCCC1,0,0,0,0,0,0,0
1556 COC(=O)c1ccc(I)cc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2,0,0,0,0,,0,0
1557 CCCCCCCCCCCCCCCCC(=O)O,,0,0,0,0,0,0
1558 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,1,1,,1,,,1
1559 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3cnns3)c4csc(N)n4,,,0,0,0,,0
1560 CCC(=O)OCCOc1ccccc1,0,0,0,0,0,0,0
1561 CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,,1,,,,,1
1562 OC(CCl)CS(=O)(=O)O,0,0,0,0,0,0,0
1563 CCN1CCCC1=O,0,0,0,0,0,0,0
1564 Nc1nc(N)nc(n1)c2ccccc2,,0,0,1,0,0,1
1565 CC=C(C)C(=O)C,0,0,0,0,0,0,0
1566 Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2,0,,0,0,0,,0
1567 CC(C)(C)OC=O,0,0,0,0,0,0,0
1568 CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C,1,,0,0,0,0,1
1569 CC=CCC#N,0,,0,,0,0,0
1570 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,0,,0,0,0,,0
1571 COc1cc(CC=C)ccc1OC(=O)Cc2ccccc2,0,0,0,0,0,0,0
1572 NC(=O)C=C,0,0,0,0,0,0,0
1573 CCC(=CCCC(C)(O)C=C)C,0,0,,0,0,0,0
1574 O=C1OC(=O)c2cc(Oc3ccc4C(=O)OC(=O)c4c3)ccc12,0,0,0,0,0,0,0
1575 CC(=O)NC1C(O)OC(CO)C(O)C1OC2OC(C(OC3OC(CO)C(O)C(OC4OC(C(O)C(O)C4O)C(=O)O)C3NC(=O)C)C(O)C2O)C(=O)O,0,,0,0,0,,0
1576 CS(=O)(=O)c1ccc(cc1)C(O)C(COC(=O)CN)NC(=O)C(Cl)Cl,0,,0,0,0,,0
1577 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5,,1,,,0,,1
1578 CCOC(=O)CC(=O)OCC,0,0,0,0,0,0,0
1579 OC(=O)C(S)C(S)C(=O)O,1,1,,0,,,1
1580 Clc1ccc(OS(=O)(=O)c2ccccc2)cc1,,0,0,,0,0,0
1581 CC(=C)CCl,0,0,0,0,0,,0
1582 Nc1ccc(N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c(N)c5c(O)c(N=Nc6ccccc6)c(cc5cc4S(=O)(=O)O)S(=O)(=O)O)c(N)c1,0,,0,,,,0
1583 CNNC,0,0,0,0,0,0,0
1584 OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,1,,0,1
1585 CC12CCC(=O)C=C1C=CC3C2CCC4(C)C3CCC4(O)CCC(=O)O,1,,1,0,0,,1
1586 CCC(C)(C)C1CCC(O)CC1,0,0,0,0,0,0,0
1587 CSCCC(NC(=O)C(Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)C(N)CC(=O)O)C(=O)NCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(Cc4ccccc4)C(=O)N,0,,0,,,,0
1588 CC1=NN(C(=O)C1N=Nc2ccccc2)c3cc(ccc3Cl)S(=O)(=O)O,0,0,0,0,0,0,0
1589 CNc1ccc(O)cc1,,1,,,,,1
1590 Nc1ncnc2c1ncn2C3CCC(CO)O3,,0,0,0,0,0,0
1591 CN1CCC23C4Oc5c(OC(=O)C)ccc(CC1C2C=CC4OC(=O)C)c35,0,,0,0,0,,0
1592 CCOC(=O)C(C)O,0,0,0,0,0,0,0
1593 C=CCOc1nc(OCC=C)nc(OCC=C)n1,0,0,0,0,0,0,0
1594 CCCC(=O)C(CC)Sc1ccoc1C,0,0,0,0,0,0,0
1595 CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1,1,1,,0,,,1
1596 Fc1ccc(cc1)C2(Cn3cncn3)OC2c4ccccc4Cl,1,1,,1,,,1
1597 COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)NC(=O)CCl,,,,,1,1,1
1598 CCCc1nc(C)c2c(O)nc(nn12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4,0,0,0,0,0,0,0
1599 COc1ccc(Cc2cnc(N)nc2N)cc1OC,0,0,0,0,0,0,0
1600 COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(CC6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5,0,0,0,0,0,0,0
1601 O=CC1CCC=CC1,0,0,0,0,,0,0
1602 COC(=C1C(C(=C(C)N=C1C)C(=O)OCC(C)C)c2ccccc2[N+](=O)[O-])O,1,1,,,,,1
1603 CC(C)C1(O)CCC(=CC1)C,0,0,0,0,0,0,0
1604 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,0,0,0,0,0,0,0
1605 CCC=CCCOC(=O)C(=CC)C,0,0,0,0,0,0,0
1606 CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,0,0,0,0,0,0,0
1607 Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)(C)O,,1,,1,,1,1
1608 CCC(CO)(CO)CO,0,0,0,0,0,0,0
1609 CC(C)(C)CC(C)(C)c1cc(Cc2cc(cc(c2O)n3nc4ccccc4n3)C(C)(C)CC(C)(C)C)c(O)c(c1)n5nc6ccccc6n5,0,,0,0,0,,0
1610 CC(=O)OC1(CCN(CCc2ccccc2)CC1)c3ccccc3,1,,0,0,,0,1
1611 COC(=O)CCCC(=O)O,0,,0,0,0,0,0
1612 NCCOC=CC(N)C(=O)O,0,,0,0,0,,0
1613 CN(C)CCCN1c2ccccc2Sc3ccccc13,1,,1,,,,1
1614 Nc1nc(CC(=O)O)cs1,0,1,,0,0,0,1
1615 CCCCCCCCCCCCCC(=O)O,0,0,0,0,0,0,0
1616 CCOc1ccc2ncc(C(=O)NCc3ccccc3)c(O)c2n1,1,1,0,,,0,1
1617 OC(CCl)COCC=C,0,0,0,0,0,0,0
1618 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C,1,,1,1,0,0,1
1619 CC(C)CC(=O)C(=O)C,0,0,0,0,0,0,0
1620 CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,0,0,0,0,0,,0
1621 CCC(N1CCCC1=O)C(=O)N,0,0,0,0,0,0,0
1622 Cc1cc(O)c2C3OCC45CCCC(C)(C)C4CCC(C)(Oc2c1)C35,,1,,,,,1
1623 NCCCC(N)C(=O)O,0,,0,,0,,0
1624 CC(OC(=O)C)OC(=O)C,0,0,0,0,0,0,0
1625 Nc1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0
1626 CCC12CCCN3CCc4c(C13)n(C(=O)C2)c5ccccc45,,,,1,,,1
1627 CCCOC1=NN(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C(=O)N1C,0,0,0,0,0,0,0
1628 CC(CCCC(C)(C)O)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C,1,,,0,,,1
1629 CC(C)c1ccc(cc1)S(=O)(=O)O,0,0,0,0,0,0,0
1630 CC(CCCC(C)(C)O)C=C,0,0,0,0,0,0,0
1631 COP(=O)(OC)Oc1ccc(cc1)[N+](=O)[O-],1,,,1,0,1,1
1632 CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12,0,0,0,0,0,0,0
1633 OCc1oc(cc1)C(=O)NCC(=O)O,0,0,0,,,0,0
1634 Nc1cccc(Cl)c1,0,0,0,0,0,0,0
1635 OC(CBr)C(O)C(O)C(O)CBr,0,0,0,0,0,0,0
1636 Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O,,1,,,1,,1
1637 CC(C)NC(C)C,0,0,0,0,0,0,0
1638 CCC=CCC1=C(C)CCC1=O,,0,0,0,0,0,0
1639 CC1CCC(CC1)NC(=O)N(CCCl)N=O,1,1,0,1,,,1
1640 CCCCCCCO,0,0,0,0,0,0,0
1641 Cc1ccc(cc1)c2ccccc2,0,0,0,0,0,0,0
1642 CCCCCCCCCCCCCCCCO,0,0,0,0,0,0,0
1643 Oc1c2ccccc2c3N=Nc4cccc1c34,0,1,,1,1,,1
1644 CCNC(C)Cc1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0
1645 C1CNCCN1,0,0,0,0,0,0,0
1646 CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl,0,,0,1,0,,1
1647 Nc1ccc(N)cc1,,,,0,0,0,0
1648 CCCCC(CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,,0,0,,,0,0
1649 Cc1c(cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C)[N+](=O)[O-],,1,0,1,,0,1
1650 O=C1CCCN1,0,0,0,0,0,0,0
1651 CCCCCCCCC=CCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,0,0,0,0,0,,0
1652 COc1ccccc1OCC(O)CO,0,0,0,0,0,0,0
1653 CCN(CC)N(O)N=O,0,,0,0,0,,0
1654 CC1(C)C(O)C(C)(C)C1O,0,0,0,0,0,0,0
1655 Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4,,,,,,1,1
1656 CC(C)COC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
1657 CC(C)(N)Cc1ccc(Cl)cc1,0,0,0,0,,0,0
1658 Cc1ccc(c(C)c1)[N+](=O)[O-],0,0,0,0,0,0,0
1659 CCCCCCC#N,0,0,0,0,0,0,0
1660 CCCCCCCCCCCCCCN(C)C,0,0,0,0,0,0,0
1661 OC(=O)c1ccccc1C(=O)OCc2ccccc2,,1,0,1,0,,1
1662 CS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0
1663 CC(C)C(N)C(=O)NCC(C)(C)SCC(=O)OC1CC(C)(C=C)C(O)C(C)C23CCC(C)C1(C)C2C(=O)CC3,,,0,,,,0
1664 CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,0,0,0,,0,0,0
1665 CCCCCCCCOc1ccc(cc1)C(=O)O,,1,,,,1,1
1666 COc1cc(N)c(Cl)cc1C(=O)NC2CN3CCC2CC3,0,0,0,0,,,0
1667 OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O,0,0,0,0,0,0,0
1668 CC1OC(=O)C(=C1C)O,0,0,0,0,0,0,0
1669 COC(=O)C(N)CS,0,,0,0,0,,0
1670 COCC(C)OC(=O)C,1,,0,0,0,0,1
1671 CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl,,1,,,,,1
1672 Cc1ccc(C)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0
1673 CC1(CN2CCC(CC2)n3c(O)nc4ccccc34)OCc5ccccc5n6cccc16,1,1,,1,,,1
1674 CC(N)C(=O)c1ccccc1,0,0,0,0,0,0,0
1675 [O-][N+](=O)c1cccc(Cl)c1,0,0,0,0,0,0,0
1676 CCC12CC(=C)C3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,1,1,1,,1,,1
1677 CC(Cc1ccccc1)NC(=O)NS(=O)(=O)c2ccc(C)cc2,0,,0,0,0,,0
1678 C(=Cc1ccncc1)c2ccccc2,1,1,0,1,0,,1
1679 CC(C)C(O)C(C)(C)COC(=O)C(C)C,0,0,0,0,0,0,0
1680 Clc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0
1681 c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23,0,,0,0,0,0,0
1682 COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1,0,0,,0,,0,0
1683 CCCCNC(=O)NCCCC,0,0,,0,0,0,0
1684 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1,,,0,0,0,,0
1685 CC(C)CCC(=O)CCC(C)C,0,0,0,0,0,0,0
1686 CC(=CC=O)C,0,0,0,0,0,0,0
1687 CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1,0,0,0,0,0,0,0
1688 CCN(CC)CCNC(=O)COc1ccc(Cl)cc1,0,0,0,0,0,0,0
1689 CCCCCC(O)C1C(O)CC(O)CC(O)CC(O)CC(O)CC(O)C(O)C(O)C(=CC=CC=CC=CC=CC(O)C(C)OC1=O)C,0,,0,0,0,,0
1690 O=C1C2C3CCC(C3)C2C(=O)N1CCCCN4CCN(CC4)c5ncccn5,0,0,0,0,0,0,0
1691 CCC(C(=O)NC(=O)N)c1ccccc1,0,0,0,0,0,0,0
1692 CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12,0,0,0,0,0,,0
1693 CN(CC1(C)CCCO1)S(=O)(=O)c2ccc(Cl)c(c2)S(=O)(=O)N,0,0,0,0,0,0,0
1694 CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)Cc4cccc5occc45,0,0,0,0,0,,0
1695 CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O,0,0,0,0,0,,0
1696 CC(=O)NCCO,0,0,,0,0,0,0
1697 COC(=O)c1ccccc1N,0,0,0,0,0,0,0
1698 OCC=CCO,0,,0,0,,0,0
1699 Cc1ccccc1C(=O)N2CCC(=NOS(=O)(=O)O)c3ccc(Cl)cc23,0,0,0,0,0,0,0
1700 CC(CCC(O)C(C)(C)O)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C,,1,,0,,,1
1701 NC(=O)c1cccc(c1)[N+](=O)[O-],0,0,0,,,0,0
1702 CCCC1CCOC(C)S1,0,0,0,0,0,0,0
1703 ClCCN(N=O)C(=O)NC1CCCCC1,0,0,0,0,0,,0
1704 COC1CC(C)CC2=C(NCC=C)C(=O)C=C(NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C1O)C)C)C2=O,1,1,1,0,,,1
1705 Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12,1,1,1,1,,,1
1706 COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC,0,0,0,0,0,0,0
1707 CC(C)(C)c1cccc(O)c1,0,0,0,0,0,0,0
1708 CC(CC(C#N)(c1ccccc1)c2ccccc2)N(C)C,,0,0,0,,,0
1709 N#CCN(CCN(CC#N)CC#N)CC#N,0,0,0,0,0,0,0
1710 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2OC(=O)CCC5CCCC5,1,1,1,0,,0,1
1711 CN(C)c1ccc2N=C3C=CC(=[N+](C)C)C=C3Sc2c1,1,,,1,,0,1
1712 CSC(=O)c1cccc2nnsc12,0,,,0,0,0,0
1713 CC(C)(Oc1ccc(cc1)C2CCCc3ccccc23)C(=O)O,0,,0,0,0,1,1
1714 CCOC(=O)c1ccccc1C(=C2C=C(Br)C(=O)C(=C2)Br)c3cc(Br)c(O)c(Br)c3,1,1,,0,,1,1
1715 CC1C2CCC3C4CC=C5CC(CCC5(C)C4CCC23CN1C)N(C)C,,0,0,0,0,0,0
1716 CN1C(C(=O)Nc2ccccn2)C(=O)c3sc(Cl)cc3S1(=O)=O,,,0,0,0,,0
1717 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,1,1,,,,,1
1718 CC(O)CN,0,0,0,0,0,0,0
1719 FC(F)OC(Cl)C(F)(F)F,0,0,0,0,0,0,0
1720 OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl,,0,,0,0,,0
1721 C(CN1CCOCC1)Cc2ccc(COc3ccccc3)cc2,,1,0,0,,0,1
1722 CC(C)CC(C)CC(=O)CC(C)C,0,0,0,0,0,0,0
1723 N#CCCOCCOCCC#N,0,0,0,0,0,0,0
1724 OC1=C(C2CCC(CC2)c3ccc(Cl)cc3)C(=O)C(=O)c4ccccc14,,1,,0,,,1
1725 CC1(OC(=CC1=O)C(=O)O)c2ccccc2,0,0,0,0,0,0,0
1726 CN(C)P(=O)(N(C)C)N(C)C,0,0,0,0,0,0,0
1727 CCCCCCOc1ccc(N)cc1,1,1,,,,,1
1728 OCC1OC(Oc2ccc(CCCCCCc3ccc(OC4OC(CO)C(O)C(O)C4O)c(c3)c5cccc(CC(=O)O)c5)cc2c6cccc(CC(=O)O)c6)C(O)C(O)C1O,,0,0,0,0,0,0
1729 CC(O)COC(=O)C(=C)C,0,0,0,0,0,0,0
1730 C(Nc1[nH]cnc2ncnc12)c3occc3,0,1,0,0,0,,1
1731 OS(=O)(=O)C(F)(F)F,0,0,0,0,0,0,0
1732 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO,1,1,1,,,0,1
1733 CCCCCCCCCCO,0,0,0,,0,0,0
1734 O=C(OCc1ccccc1)c2cccnc2,0,,0,0,0,,0
1735 CC(C)OC(=O)Nc1ccccc1,,0,0,,0,0,0
1736 CC(=O)c1ccc[nH]1,0,0,0,,0,0,0
1737 C=CC(=O)OCC1CCCO1,0,0,0,0,,0,0
1738 Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,1,1,,,,,1
1739 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O,,1,0,0,0,,1
1740 CCC=CCCCCCCCCCCOC(=O)C,0,0,0,0,0,0,0
1741 O=C1OC(=O)c2cc(ccc12)c3ccc4C(=O)OC(=O)c4c3,,0,0,,0,0,0
1742 CCCCC(=O)N(C)C,0,0,,0,0,0,0
1743 Cc1cc(Cl)ccc1N,0,0,0,0,0,0,0
1744 COC=C(C(=O)OC)c1ccccc1COc2cccc(n2)C(F)(F)F,,1,,,1,1,1
1745 CC1C=C(C)CCC1C=O,0,0,0,0,0,0,0
1746 CCCCCCCCCCCCCCCCCBr,,0,0,0,0,0,0
1747 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)c(C=NN5CCN(CC5)C6CCCC6)c(O)c4c3C2=O,1,1,,,,1,1
1748 OC1CCCN2CC(O)C(O)C12,0,,0,0,0,,0
1749 ClCC(=C)Cl,,0,0,0,,0,0
1750 CC(Cl)Cl,0,0,0,0,0,0,0
1751 COC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
1752 CC(NCCCc1cccc(c1)C(F)(F)F)c2cccc3ccccc23,,1,,,,,1
1753 OC(=O)O,0,,0,0,0,0,0
1754 [O-][N+](=O)OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-],0,0,0,0,0,0,0
1755 CCC(C)OC(=O)c1ccc(O)cc1,,1,0,1,,0,1
1756 CC1=CCCC(=C)C2CC(C)(C)C2CC1,0,0,0,0,0,0,0
1757 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C)c4csc(N)n4,0,,0,0,0,,0
1758 O=NN(c1ccccc1)c2ccccc2,0,,0,0,0,0,0
1759 CCN(CC)C(=S)SSC(=S)N(CC)CC,,1,,,,1,1
1760 Cc1cn(NC(=O)c2cnc(nc2C)c3ccccn3)c4ccc(F)cc14,,,0,0,0,,0
1761 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,0,0,0,0,,0,0
1762 CCCOc1ccccc1c2nc(O)c3[nH]nnc3n2,,0,0,0,0,0,0
1763 CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3,0,1,,0,,1,1
1764 CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C4NC(=O)c5csc(n5)C(NC(=O)C6CSC(=N6)C(=CC)NC(=O)C(NC(=O)c7csc(n7)C8(CCC(=NC8c9csc4n9)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)C(C)(O)C(C)O)C(C)O,1,,1,,1,1,1
1765 [O-][N+](=O)c1ccccc1C=O,0,0,0,0,0,0,0
1766 Oc1[nH]nc2ccccc12,,,0,0,0,1,1
1767 CCCCC(CC)COC(=O)CS,0,,0,0,0,,0
1768 CCCCCCCCCCCC=C,0,0,0,0,0,0,0
1769 CCCCCCCCCCCCc1ccccc1O,,1,,,,1,1
1770 CCCC(=O)OCC,0,0,0,0,0,0,0
1771 Cc1ccc(O)c(c1)[N+](=O)[O-],0,,0,0,,0,0
1772 CCOc1ccc(N)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0
1773 CC1CCc2c(C)coc2C1,,0,0,0,0,0,0
1774 ClC(Br)Br,,0,0,0,,0,0
1775 CC(C)(N=C=O)c1cccc(c1)C(C)(C)N=C=O,0,0,0,0,0,0,0
1776 OCCOc1ccc(OCCO)cc1,,0,0,0,0,0,0
1777 COCCOCCOCCOC,0,0,0,0,0,0,0
1778 CC(C)NCC(O)COc1cccc2ccccc12,0,0,0,0,,,0
1779 CC(=C)C(=O)OCC1CCCO1,0,0,0,0,0,0,0
1780 CCCCS,,0,0,0,0,0,0
1781 CCC(CC)C(C)CCOC(=O)C,0,0,0,0,0,0,0
1782 O=C1Nc2ccccc2C(=O)O1,0,0,0,0,0,0,0
1783 CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C,1,1,,0,1,1,1
1784 CCCCCCCCCCCCSC#N,1,0,,,1,0,1
1785 CCC(CC)CO,,0,0,0,0,0,0
1786 CC1=CCCC(C)(C)C1C=CC(=O)CCC=C,0,0,0,0,,0,0
1787 OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O,0,0,0,0,0,0,0
1788 CC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc3ccccc3)C2=O)C(=O)O,0,,0,0,0,,0
1789 CCCCCCC(=O)c1ccccc1,0,,0,,0,0,0
1790 COc1ccc(C=CC)cc1,0,0,0,0,0,0,0
1791 Nc1oc(nn1)c2oc(cc2)[N+](=O)[O-],,,0,,0,0,0
1792 CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13,,0,0,0,0,0,0
1793 CC(C)OC=O,0,0,0,0,0,0,0
1794 CCCCCCCCCCCCN(CCO)CCO,,1,,,,,1
1795 NC(=O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
1796 OCCCCCO,0,0,0,0,0,0,0
1797 CCCCCCCC#N,0,0,0,0,0,0,0
1798 CC(C)(CO)[N+](=O)[O-],0,0,0,0,0,0,0
1799 CCCCN1C(=O)C(NC(=O)C12CCN(Cc3ccc(Oc4ccc(cc4)C(=O)O)cc3)CC2)C(O)C5CCCCC5,1,,,0,,,1
1800 Cc1cccc(C)c1Nc2ncccc2C(=O)O,1,1,0,1,1,,1
1801 CCCCCc1cc(O)cc(O)c1,1,1,1,,,1,1
1802 CCCCCCCCC(CO)CCCCCC,0,0,0,0,0,0,0
1803 OC(=O)CN(CC(=O)O)CC1=CC2C(=CC1=O)Oc3cc(O)c(CN(CC(=O)O)CC(=O)O)cc3C24OC(=O)c5ccccc45,,,,0,0,,0
1804 ClS(=O)(=O)c1ccccc1,0,0,0,0,0,0,0
1805 CC(=O)OC1(C(=O)C)C(=C)CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C,1,,1,1,1,0,1
1806 OC(=O)C1CSCN1C(=O)C2CCC(=O)N2,0,,0,0,0,,0
1807 CC(C)Nc1nc(Cl)nc(NC(C)C)n1,0,0,0,0,0,0,0
1808 OCl(=O)=O,0,0,0,0,0,0,0
1809 BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0,0,0,0,0,0,0
1810 COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1,,0,0,0,,,0
1811 [O-][N+](=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
1812 CCNc1cc2OC3=CC(=NCC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C,1,1,,1,,,1
1813 CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1,,1,,,,,1
1814 c1ccc2ncccc2c1,0,0,0,0,0,0,0
1815 C[N+]1([O-])C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,0,,0,0,0,,0
1816 Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O,,1,,,,,1
1817 Cc1cccc(c1C)S(=O)(=O)O,0,0,0,0,0,,0
1818 CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)CO,0,,0,0,0,,0
1819 CC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)OCC#C,1,,1,0,0,0,1
1820 O=CCCc1ccccc1,0,0,0,0,0,0,0
1821 [O-][N+](=O)c1ccc(C=CC(=O)c2ccccc2)cc1,,1,,1,,0,1
1822 CN(C)c1ccc(C)cc1,0,0,0,,0,0,0
1823 COC1(NC(=O)CSCC#N)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,0,0,0,0,0,0,0
1824 CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C,0,0,0,0,0,0,0
1825 CC(C)NC(=O)c1ccc(C=O)cc1,,1,,,,,1
1826 CCCCCCCCCCCCCCCCN(C)C,0,0,0,0,0,0,0
1827 CCCCCC=CCC=CCCCCCCCC(=O)NC(C)c1ccccc1,,1,,0,0,1,1
1828 NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0
1829 [O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1,0,0,0,,0,0,0
1830 CNCCO,0,0,0,0,0,0,0
1831 CNC(C)(C)Cc1ccccc1,,0,0,0,0,0,0
1832 CN1C(=O)CC(C1=O)c2ccccc2,,0,0,0,0,0,0
1833 Cc1cccc(C)c1NC2=NCCCS2,0,0,0,0,0,0,0
1834 CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl,0,0,0,1,,,1
1835 COc1ccc(cc1)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2,0,0,0,0,0,0,0
1836 CC(=C)C(=O)O,0,0,0,0,0,0,0
1837 CN(C)C=O,0,0,0,0,0,0,0
1838 CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC,,,,,,1,1
1839 COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c2ccccc2,,0,,1,,,1
1840 CC(=O)OCC=Cc1ccccc1,0,0,0,0,0,0,0
1841 CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(=O)O,0,,0,0,0,,0
1842 CCCCCCCCCCC(CO)CCCCCCCC,0,0,0,0,0,0,0
1843 OCCS(=O)(=O)O,0,0,0,0,0,0,0
1844 CC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0
1845 O=C(OCCCCCOC(=O)c1ccccc1)c2ccccc2,,1,0,0,0,,1
1846 CC(C)CNCC(C)C,0,0,0,0,0,0,0
1847 [O-][N+](=O)c1ccc2ncccc2c1,0,0,0,0,0,0,0
1848 CC(C)CCCCCOC(=O)CS,0,0,0,,0,0,0
1849 CCCCCCCCCCN,0,0,0,0,0,0,0
1850 COc1ccccc1OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2,0,0,0,0,0,0,0
1851 CC(=CCCC(C)(O)C=C)C,0,0,0,0,0,0,0
1852 COCCO,0,0,0,0,0,0,0
1853 CC1CC(CC2CCC(N)C(C)C2)CCC1N,,,0,,,0,0
1854 [O-][N+](=O)c1ccccc1[N+](=O)[O-],1,0,,,1,1,1
1855 COC(=O)C(N1CCc2sccc2C1)c3ccccc3Cl,0,1,,0,0,0,1
1856 NCCCCC(NC(=O)C1CCCN1C(=O)C2CSSCC(NC(=O)CNC(=O)CNC(=O)CN)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(Cc4ccccc4)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,0,,0,0,0,,0
1857 CC1CNC2C(C1)OC3(CCC4C5CC=C6CC(O)CCC6(C)C5CC4=C3C)C2C,0,0,,,,0,0
1858 CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3,0,0,0,0,,0,0
1859 CC(C)OS(=O)(=O)C,0,0,0,0,0,0,0
1860 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)[N+](=O)[O-],,,,,,0,0
1861 COC(=O)C1(O)c2ccccc2c3ccccc13,0,0,0,0,0,0,0
1862 CCN(CC)C(=O)c1ccc(O)c(OC)c1,0,0,0,0,0,0,0
1863 CN(C)c1ccc2c(ccc(C=Cc3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,,1,,,,,1
1864 NC(=O)O,0,0,0,0,0,0,0
1865 Cc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,0,0,0,0,0,0,0
1866 ClCN1N=Nc2ccccc2C1=O,0,0,0,0,0,0,0
1867 C=CCN=C=S,0,0,0,0,0,0,0
1868 COC(=O)Nc1nc2ccccc2[nH]1,,0,0,1,1,,1
1869 CC1CC(=O)CC(C)(C)C1,0,0,0,0,0,0,0
1870 BrC(Br)C#N,0,0,0,0,0,0,0
1871 ClC(=O)C=CC(=O)Cl,,0,0,0,,0,0
1872 OCc1cccnc1,0,0,0,0,0,0,0
1873 CC(C)(Cl)Cl,0,0,0,0,0,0,0
1874 NCCNc1cccc2ccccc12,0,0,0,,,0,0
1875 CCCCC(=O)OCC(=O)C1C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,,1,1,,0,1
1876 O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5,0,0,0,0,0,0,0
1877 CC(=O)CCc1ccc2OCOc2c1,0,0,0,0,0,0,0
1878 FC(F)(F)c1cccc(CC#N)c1,0,0,0,0,0,0,0
1879 NC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3,0,0,0,0,0,0,0
1880 OCCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)O)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,,,,0,0,1,1
1881 [O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,0,,0,0,0,1,1
1882 CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC(F)(F)F,0,0,0,0,0,0,0
1883 CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1,0,,0,0,0,,0
1884 [O-][N+](=O)c1cccc2cccc(c12)[N+](=O)[O-],,1,,,1,1,1
1885 CCNc1ccccc1,0,0,0,0,0,0,0
1886 CC(C)NCC(O)c1ccc(O)c(O)c1,0,0,0,0,0,0,0
1887 CCCCOC(O)CC,0,0,0,0,0,0,0
1888 CCCCCOC(=O)CCC,0,0,0,0,0,0,0
1889 CC(C)Oc1ccc2C(=O)C(=COc2c1)c3ccccc3,1,1,,1,,0,1
1890 CCCCCCCCCCCCCBr,0,0,0,0,0,0,0
1891 NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O,0,0,0,0,0,0,0
1892 COCCOCCOCCOCCOC,0,0,0,0,0,0,0
1893 CCN(CC)Cc1nccn1c2ccc(cc2C(=O)c3ccccc3Cl)[N+](=O)[O-],0,,0,0,,0,0
1894 OCC1OC(CC1O)n2cnc3C(O)CN=CNc23,0,,0,0,0,,0
1895 CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,0,0,,0,1,,1
1896 CON(C(=O)OC)c1ccccc1COc2ccn(n2)c3ccc(Cl)cc3,,1,,,1,,1
1897 CN(C)c1ccc(SC#N)cc1,1,,1,,,1,1
1898 CC1(C)SC2C(NC(=O)C(N=C)c3ccccc3)C(=O)N2C1C(=O)O,0,,0,0,0,,0
1899 CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23,0,0,0,0,,0,0
1900 OC(=O)c1nc(Cl)ccc1Cl,0,0,0,0,0,0,0
1901 OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O,,,0,0,0,0,0
1902 COc1ccc(COC(=O)C)cc1,0,0,0,0,0,0,0
1903 CC(C)OC(=O)NC(C(C)C)C(=O)NC(C)c1ccc(C)cc1,0,,0,0,0,0,0
1904 CCCSC(=O)N(CCC)CCC,0,0,0,0,0,0,0
1905 CCC1(CCC(=O)NC1=O)c2ccccc2,0,0,,0,0,0,0
1906 CCN1CCc2oc(N)nc2CC1,,,0,0,0,0,0
1907 CN(C)CC=C(c1ccc(Br)cc1)c2cccnc2,0,0,0,0,,0,0
1908 Cc1cc(C)c(cc1C)N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
1909 COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC,0,,0,0,0,,0
1910 CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1,,,,,,0,0
1911 Cn1cc(C(=O)C2CCc3[nH]cnc3C2)c4ccccc14,0,0,0,0,,0,0
1912 CCCCCCCCCCCCCCC1CO1,0,0,0,0,0,0,0
1913 CCCCCCCCCCCCCCOS(=O)(=O)O,1,0,,0,,0,1
1914 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3OC(=O)CC)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,0,0,,0,,,0
1915 CCCCN1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0
1916 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2,,0,0,0,,0,0
1917 Cc1ccc2cc(C)ccc2c1,0,0,0,0,0,0,0
1918 CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc2ccccc2[N+](C)(C)C,0,,,0,0,,0
1919 CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)[O-])C#N,,0,0,0,,0,0
1920 CC(=O)OCc1ccc2OCOc2c1,0,0,0,0,0,0,0
1921 Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=O)Nc4ccccc4C3=O)CC2,,0,0,0,0,0,0
1922 [O-][N+](=O)c1ccccc1C(=O)Cl,0,0,0,0,,0,0
1923 CCc1cccc(O)c1,0,0,0,0,0,0,0
1924 C1Cc2ccccc2Nc3ccccc13,,1,0,0,,0,1
1925 CCO,0,0,0,0,0,0,0
1926 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccc(O)cc5S(=O)(=O)O,,,0,,,0,0
1927 CC(=C)C1CCC(=CC1)C=O,0,0,0,0,0,0,0
1928 CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,,0,0,0,0,0,0
1929 CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC,0,0,0,0,0,0,0
1930 CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1,0,,0,0,0,,0
1931 Clc1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0
1932 Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25,1,1,0,,,,1
1933 ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,1,0,,,,0,1
1934 O=C1NS(=O)(=O)c2ccccc12,0,0,0,0,0,0,0
1935 O=Cc1oc2ccccc2c1,0,0,0,0,0,0,0
1936 Cc1nnc2CN=C(c3ccccc3Cl)c4cc(CCC(=O)N5CCOCC5)sc4n12,0,0,0,0,0,0,0
1937 CC(C)C(C)C=CC(C)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C,1,,1,0,,,1
1938 COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC,1,,0,0,,,1
1939 CCOC(=O)c1ccccc1N,0,0,0,0,0,0,0
1940 CCCCCCOC(=O)CCCCC(=O)OCCCCCC,0,0,0,0,0,0,0
1941 Fc1ccc(cc1)n2cc(C3CCN(CCN4CCNC4=O)CC3)c5cc(Cl)ccc25,,1,,,,,1
1942 CC(N)C(=O)N(CCCc1cccnc1)c2c(C)cccc2C,0,,0,1,,,1
1943 OCCCO,0,0,0,0,0,0,0
1944 CCCCCCCCC,0,0,0,0,0,0,0
1945 CCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O,,0,0,0,,1,1
1946 CC(=O)CCl,0,0,0,0,0,0,0
1947 CCCCCCOC(=O)C=C,0,0,0,0,0,0,0
1948 OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,0,0,0,0,0,0,0
1949 CC12CCC3C(=CCc4cc(O)ccc34)C1CCC2=O,,1,1,1,1,,1
1950 COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl,1,1,1,1,,1,1
1951 CCOc1ccc2NC(C)(C)CC(C)c2c1,0,,0,0,0,0,0
1952 COP(=O)(N)SC,0,0,0,0,0,0,0
1953 CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(C)C)c2c1,0,,0,0,,,0
1954 COC(=O)C,0,0,0,0,0,0,0
1955 CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C)C(=O)C,1,1,1,1,0,,1
1956 Oc1ccccc1O,1,1,,,,0,1
1957 CCNC(=O)NCc1cccc(Cl)c1,0,0,0,0,0,0,0
1958 COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)C=Cc6cc(OC)c(OC)c(OC)c6,0,,0,,,,0
1959 CCCCCCCCCO,0,0,0,0,0,0,0
1960 CCC(C)OC(=O)N1CCCCC1CCO,0,0,0,0,0,0,0
1961 CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,,0,0
1962 CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(c1)C(=O)OCCCCCCCC,,,0,0,0,0,0
1963 CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I,0,,0,0,0,,0
1964 C(SCc1ccccc1)c2ccccc2,0,0,0,0,0,0,0
1965 COc1ccc(C=CC(=O)O)cc1,0,,0,0,0,,0
1966 CC(C)OC(=O)Cc1ccccc1,0,0,0,0,0,0,0
1967 CC(C)NCC(O)c1cc(O)cc(O)c1,0,0,0,0,0,0,0
1968 COC(=O)c1ccccc1,0,0,0,0,0,0,0
1969 CC(C)(O)c1ccccc1,,0,0,,0,0,0
1970 CON=C(C(=O)OC)c1ccccc1COc2ccccc2C,,,1,,1,1,1
1971 O=C1CCCCO1,0,0,0,0,0,0,0
1972 NCc1ccccc1,0,0,0,0,0,0,0
1973 c1ccc2c(c1)c3cccc4c5ccccc5cc2c34,1,,1,0,0,1,1
1974 ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,1,,,,,,1
1975 CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(=O)O,1,1,0,1,,0,1
1976 CCOC(=O)CBr,0,0,0,0,,0,0
1977 Cc1ccn2nc(nc2n1)S(=O)(=O)Nc3c(F)cccc3F,,0,0,0,0,0,0
1978 COc1[nH]c(N)nc2ncnc12,0,0,0,0,0,0,0
1979 CN(N=O)C(=N)N[N+](=O)[O-],0,1,0,,1,,1
1980 CCOC(=O)C(F)(F)F,0,0,0,0,0,0,0
1981 Cn1cc(C2=C(C(=O)NC2=O)c3cn(C4CCN(Cc5ccccn5)CC4)c6ccccc36)c7ccccc17,,1,1,0,0,1,1
1982 CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2,,,0,0,,0,0
1983 Clc1cccc(n1)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
1984 NC(=O)Nc1ccccc1,0,0,0,0,0,,0
1985 CCCCCCC(O)CCCCCCCCCCC(=O)OC,,0,0,0,0,,0
1986 CC(=O)CN(CC(=O)C)N=O,0,0,,0,0,0,0
1987 CC12CCCC(C)(C1CCC34CC(C(CC23)OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC7OC(CO)C(O)C(O)C7O)C(=C)C4)C(=O)OC8OC(CO)C(O)C(O)C8O,0,0,0,0,0,0,0
1988 CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc4c[nH]cn4)NC(=O)C5CCC(=O)N5)C(=O)NC(CCCN=C(N)N)C(=O)N6CCCC6C(=O)NNC(=O)N,0,,0,0,0,,0
1989 Cc1ccccc1O,0,0,0,0,0,0,0
1990 CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0
1991 C(C1=NCCN1)c2ccc3ccccc3c2,0,0,0,0,0,0,0
1992 CCNS(=O)(=O)c1ccc(C)cc1,0,0,0,0,0,0,0
1993 COc1ccc(C=O)cc1,0,0,0,0,0,0,0
1994 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3,0,0,0,0,,0,0
1995 CCN(CC)C(=S)SCC(=C)Cl,0,0,0,,1,0,1
1996 CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,0,,0,0,0,,0
1997 O=C(Oc1ccccc1)c2ccccc2,0,0,0,0,0,0,0
1998 CC1=CCC2C(C1)C2(C)C,0,0,,,,,0
1999 Nc1ccc(cc1)C(=O)O,0,0,0,0,0,0,0
2000 FC(F)(F)c1ccc(Cl)c(C(=O)NC(C2CN3CCC2CC3)c4ccccc4)c1Cl,1,1,0,,,1,1
2001 COc1ccc(N)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0
2002 Oc1c(cc(c2ccc(cc12)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],0,,0,0,,0,0
2003 CCN(C)N=O,0,0,0,0,0,0,0
2004 CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2,0,,0,0,0,,0
2005 CCCCCCCCCCC(=O)O,1,,,0,,0,1
2006 N=C(Nc1ccccc1)Nc2ccccc2,1,1,0,,0,0,1
2007 CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,,1,0,0,0,,1
2008 CC12CC3CC(C)(C1)CC(N)(C3)C2,,0,0,0,,0,0
2009 CCOC(=O)COc1cc(N2N=CC(=C(C)C2=O)C(F)(F)F)c(F)cc1Cl,0,0,0,0,0,0,0
2010 CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc3ccccc3)C(=O)NC4C(O)Cc5ccccc45,0,,,,0,0,0
2011 CC=C(C)C(=O)OCc1ccccc1,0,0,0,0,0,0,0
2012 N#CCNCC#N,0,0,0,0,,0,0
2013 OC(=O)c1ccccc1OP(=O)(O)O,0,0,0,0,0,0,0
2014 ClCCOC(=O)C=C,0,0,0,0,0,0,0
2015 CNC(=O)N(C)c1nc2ccccc2s1,1,1,0,1,,0,1
2016 CNC1CCCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2OC)C(=O)O,0,0,0,0,0,0,0
2017 CN(C)CCOC(=O)C(OCC#C)(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
2018 Oc1cccc(Cl)c1Cl,0,0,0,0,,0,0
2019 CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CCN3CC(C)CC(C)C3)CC(C)C(=O)C=CC(=CC1COC4OC(C)C(O)C(OC)C4OC)C,0,,0,0,0,,0
2020 C[n+]1c(cc(c2ccccc2)n1C)c3ccccc3,1,1,,,,0,1
2021 CCCCCCCCOCCC#N,0,0,0,0,0,0,0
2022 Brc1ccc(cc1)c2ccccc2,0,0,0,0,0,0,0
2023 CN1CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,0,,0,0,,,0
2024 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0,0,0,0,0,0,0
2025 OC(=O)CC(=CC(=O)O)C(=O)O,0,0,0,0,0,0,0
2026 CC(C)N1CCN(CC1)c2ccc(OCC3COC(Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2,,,0,,,,0
2027 CCN(CC)CCOCC1OC(O)C(OCCN(CC)CC)C(O)C1O,0,,0,0,0,,0
2028 CC(=O)NC(Cc1ccc(O)cc1)C(=O)O,0,0,0,0,0,0,0
2029 Nc1ccccc1N,1,,1,,1,0,1
2030 CCCCCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)C(F)(F)F,0,0,0,0,0,0,0
2031 CC1(C)OC(=O)NC1=O,0,0,0,0,0,0,0
2032 O=C1C=C(Oc2ccc3ccccc3c12)c4ccccc4,1,1,,1,1,0,1
2033 CNC(C)Cc1ccccc1,0,,0,0,0,,0
2034 FC(F)(F)c1ccccc1Cl,0,0,0,0,0,0,0
2035 OC1OC(=O)C(=C1C(Cl)Cl)Cl,1,,,,,1,1
2036 COc1cc(CCN)cc(OC)c1OC,0,0,,1,0,0,1
2037 COC(=O)CCCCCCCC(=O)OC,0,0,0,0,0,0,0
2038 OC(=O)c1ccc(Cl)cc1Cl,,0,0,0,0,0,0
2039 ClC(Cl)C(Cl)Cl,,0,0,0,0,0,0
2040 CC(=O)OCC1OC(OC2C(O)C(OC(=O)c3ccccc3C(=O)O)C(O)OC2COC(=O)C)C(O)C(OC(=O)c4ccccc4C(=O)O)C1O,0,,0,0,0,,0
2041 CC(C)C[P+](C)(CC(C)C)CC(C)C,0,0,0,0,0,0,0
2042 Cc1ccc(N)cc1Cl,0,,0,0,0,0,0
2043 Nc1ccc(Sc2ccc(N)cc2)cc1,0,1,0,,0,,1
2044 CCCCCCCC[N+](C)(C)CCCCCCCC,,1,,,,1,1
2045 Oc1ccc(Br)c(C=O)c1,,1,,1,0,,1
2046 CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1,0,0,0,0,0,0,0
2047 CC(C)CC1N2C(=O)C(NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(OC2(O)C7CCCN7C1=O)C(C)C,0,,,0,,,0
2048 CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12,0,0,0,0,0,0,0
2049 CC(N)C(=O)O,,,,0,,0,0
2050 CC(C)Nc1nc(N)nc(Cl)n1,0,,0,0,,0,0
2051 CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13,0,,,0,0,,0
2052 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,,,,0,,1,1
2053 CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4,0,0,0,0,0,0,0
2054 COc1ccc(cc1OC)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,0,0,0,0,0,0,0
2055 CCC(=O)N(C1CCN(Cc2ccccc2)CC1)c3ccccc3,0,0,0,0,,,0
2056 Cc1ncc(cn1)C(CCCCCCc2ccc3CCCNc3n2)CC(=O)O,,1,,0,0,0,1
2057 CCC(O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,0,0,0,0,1,,1
2058 Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],,,0,0,0,0,0
2059 CC(=O)C1=C(O)C=C(C)OC1=O,0,0,0,0,0,0,0
2060 CC(=O)CC(=O)Nc1ccccc1C,0,0,0,0,0,0,0
2061 NCCCN1CCOCC1,0,0,0,0,0,0,0
2062 Cc1ccccc1[N+](=O)[O-],0,0,0,,0,0,0
2063 CCC(Cl)CCC(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CCl,0,0,0,0,0,0,0
2064 CNC(=O)c1ccccc1Sc2ccc3c(C=Cc4ccccn4)[nH]nc3c2,1,1,,1,1,,1
2065 C=CCSSCC=C,0,0,0,,0,0,0
2066 COC(=O)CCC[N+](C)(C)C,0,,0,0,0,,0
2067 O=C(CCCCCCCCc1cccnc1)N2CCC(CC2)C=C(c3ccccc3)c4ccccc4,0,1,,,,,1
2068 CCOC(=O)CC(C(=O)C)C(=O)C,0,0,0,0,0,0,0
2069 CCCc1ccc(cc1)C(=O)O,0,,0,0,0,,0
2070 OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3,0,,0,0,0,0,0
2071 OC(=O)CCCCC=C(c1ccccc1)c2cccnc2,0,,0,0,0,,0
2072 CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC,,0,0,1,,,1
2073 Nc1ccc(O)cc1,1,,,1,,1,1
2074 CC(C)CCCCCCCOC(=O)C=C,0,0,0,0,0,0,0
2075 OP(=O)(O)c1ccccc1,0,0,0,0,0,0,0
2076 CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)CC1)NC(=O)c5ccccc5,,1,,,,,1
2077 CSCCC(N)C(=O)O,0,,0,0,0,,0
2078 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)cc(O)c4c3C2=O,0,,,0,0,,0
2079 CC(=O)SCc1occc1,0,0,0,0,0,0,0
2080 COC(=C1C(C(=C(C)N=C1C)C(=O)OCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])O,1,1,1,,,1,1
2081 CC(=C)C(=O)OCCO,0,0,0,0,0,0,0
2082 C1CCC(CC1)SSC2CCCCC2,0,0,0,0,0,0,0
2083 OCCc1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0
2084 Oc1c(I)cc(c2cccnc12)S(=O)(=O)O,0,0,0,0,0,0,0
2085 CCc1ccc(C=O)cc1,0,0,0,0,0,0,0
2086 OCCBr,0,0,0,0,0,,0
2087 OC(=O)CCCCCCCCCCCBr,,0,0,1,0,,1
2088 Nc1cccc(N)n1,0,0,,0,0,0,0
2089 NC(CC(=O)O)C(=O)O,,,0,0,0,,0
2090 CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,0,0,0,0,,0,0
2091 Nc1c(cc(c2ccccc12)S(=O)(=O)O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O,1,,1,,,,1
2092 Cc1cnc(S)nc1O,0,0,0,0,0,0,0
2093 CN(C)CCC=C1c2ccccc2COc3ccc(CC(=O)O)cc13,0,0,0,0,0,0,0
2094 COS(=O)(=O)OC,0,0,0,0,0,0,0
2095 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N,,,0,0,0,,0
2096 CCCCCCCCCCCCN(C)C,0,0,0,0,0,0,0
2097 COc1ccc(cc1)C(=O)Nc2nc3ccccc3c(NCc4ccccc4)c2C#N,1,1,1,,,1,1
2098 Nc1cc(C(=O)O)c(O)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0
2099 OC12CC3CC(C1)C(=O)C(C3)C2,0,,0,0,0,,0
2100 CC(C)(N)C1CCC(C)(N)CC1,0,0,0,0,,0,0
2101 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC,1,,1,1,1,,1
2102 CCCO,0,0,0,0,0,0,0
2103 OCc1ccccn1,,,0,0,,0,0
2104 NC(Cc1ccc(F)cc1)C(=O)O,0,0,0,0,,0,0
2105 Oc1nc2ccccc2n1C3CCN(CCCC(=O)c4ccc(F)cc4)CC3,0,,0,0,0,0,0
2106 CC(C)c1ccc(cc1)C#N,0,0,0,0,,0,0
2107 CCN(CC)C(=O)NC1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34,1,,0,,,0,1
2108 Clc1cc(Cl)c(OCC#CI)cc1Cl,,1,1,,,,1
2109 CCCCCCCCC=CCCCCCCCC(=O)N,0,0,0,0,,1,1
2110 COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4,,0,0,0,0,,0
2111 CCOC(=O)C(CCc1ccccc1)NC2CCc3ccccc3N(CC(=O)O)C2=O,1,,,,,,1
2112 CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O,1,1,,1,0,,1
2113 CC(CN=Cc1ccccc1O)N=Cc2ccccc2O,0,0,0,0,0,0,0
2114 Cc1ccc(cc1N)C(=O)N,0,0,0,0,0,0,0
2115 CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(CC1)C(=O)OCC(COC(=O)N(Cc2cccc[n+]2CC)C(=O)c3ccccc3OC)OC,,1,,,,,1
2116 Clc1ccc(C=NNC(=N)NN=Cc2ccc(Cl)cc2)cc1,0,,0,0,,0,0
2117 Clc1ccc(CON=C(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1,1,1,,1,,,1
2118 OCC(O)COc1ccc(Cl)cc1,0,,0,0,0,,0
2119 Oc1ccc(Oc2ccccc2)cc1,1,1,,,,1,1
2120 [O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,,,,,0,,0
2121 [O-][N+](=O)c1cccc(Cl)c1Cl,0,0,0,0,0,0,0
2122 CCCCCCC(O)CC=CCCCCCCCC(=O)O,0,,0,0,0,,0
2123 O=C(Cc1ccccc1)c2ccccc2,0,,0,0,0,0,0
2124 CN1CCC=C1NC(=O)Nc2c(C)cccc2C,0,,0,0,0,,0
2125 O=C1NC(=O)NC(=O)N1,0,0,0,0,0,0,0
2126 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,0,0,0,0,0,0,0
2127 C=CC(=O)OCCOC(=O)C=C,,1,,0,,1,1
2128 OCc1ccc[n+]([O-])c1,0,0,0,0,0,0,0
2129 Cc1cc(O)c2C(=O)c3c(O)cc(O)c4C(=O)C(C)(C)c5cc(O)c1c2c5c34,,1,,0,,,1
2130 Cc1nc(N)nc(N)n1,,0,0,0,0,0,0
2131 CCOP(=O)(Sc1ccccc1)Sc2ccccc2,,,,0,0,1,1
2132 COc1cc(C(C)C)c2C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S(=O)(=O)c2c1,1,,1,,,,1
2133 CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,1,,0,,1
2134 C1=Cc2cccc3cccc1c23,0,0,0,0,0,0,0
2135 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)c2ccccc2,1,1,,,,,1
2136 [O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1,0,0,0,0,0,0,0
2137 Clc1sc(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0
2138 CC(CS)C(=O)N1CCCC1C(=O)O,,0,,0,0,0,0
2139 CC(C)(c1ccccc1)c2ccc(O)cc2,1,1,,,,0,1
2140 Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NN=Cc2oc(cc2)[N+](=O)[O-],0,,0,,0,0,0
2141 Nc1nc(Cl)nc2c1ncn2C3OC(CO)C(O)C3F,1,1,,1,,,1
2142 Cc1ccc2ccccc2c1,0,0,0,0,0,0,0
2143 CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,0,,,0,,,0
2144 OC(=O)c1cc(Cl)cc(Cl)c1O,0,,0,0,0,,0
2145 CCCCCCC(O)CC=CCCCCCCCC(=O)OC,0,,0,0,0,0,0
2146 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3,,,0,,,0,0
2147 Nc1nc(O)c2ncn(C3CC(O)C(CO)C3=C)c2n1,0,,0,0,0,,0
2148 CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0
2149 CON=C1CN(CC1CN)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4,0,0,0,0,0,0,0
2150 OC(=O)COc1ccc(CCNS(=O)(=O)c2ccccc2)s1,0,,0,0,0,,0
2151 CC(C)Cc1ccc(cc1)C(C)C(=O)NS(=O)(=O)C,0,,,0,0,,0
2152 Nc1n[nH]c(S)n1,0,0,,0,0,0,0
2153 Cc1ncc(CO)c(CN)c1O,0,0,0,0,0,0,0
2154 CC(C)c1ccc2ncccc2c1,0,0,,0,0,0,0
2155 CC(C)N(CCCl)C(C)C,0,,0,0,0,,0
2156 Sc1ncccn1,0,,0,0,0,0,0
2157 CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1,0,1,1,,0,0,1
2158 Cc1cccc[n+]1[O-],0,0,0,0,0,0,0
2159 NC1CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc3ccc(O)cc3)NC1=O)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,0,,0,0,0,,0
2160 C(CNc1nc2ccccc2s1)COc3cccc(CN4CCCCC4)c3,,1,0,0,,,1
2161 O=C1NC2NC(=O)NC2N1,0,0,0,0,0,0,0
2162 O=C(NC1CN2CCC1CC2)c3cc4ccoc4cn3,0,0,0,0,0,0,0
2163 CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC2COC3OCCC23)S(=O)(=O)c4ccc(N)cc4,0,,0,0,0,,0
2164 CCCCCC1C(CC(=O)OC)CCC1=O,0,0,0,0,0,0,0
2165 CC(C)(C)NCC(O)c1cc(O)cc(O)c1,0,0,0,0,0,0,0
2166 CCCCCCOC(=O)C(C)C,1,,1,1,0,0,1
2167 Cc1ncc(CO)c(CO)c1O,0,0,0,0,0,0,0
2168 CCCCCC=CCC=CCC=CCCCCC(=O)O,0,,,0,0,,0
2169 CN1CC(c2ccccc2)c3cccc(N)c3C1,0,0,0,0,0,0,0
2170 CCCC(=O)OCCC(C)C,0,0,0,0,0,0,0
2171 NC(=O)NC(=O)N,0,0,0,0,0,0,0
2172 CC(C)c1cccc(O)c1,0,0,0,0,0,0,0
2173 CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C,,1,1,0,,1,1
2174 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,0,0,0,0,0,0,0
2175 CN1CCC(CC1)OC(=O)C(Oc2ccc(Cl)cc2)Oc3ccc(Cl)cc3,0,,0,0,,,0
2176 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)c5c(nc6cc(C)ccn56)c4c3C2=O,,,0,0,1,,1
2177 CC1OC1C2CCC3(C)OC3C2,0,0,0,0,0,0,0
2178 CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,,1,1,0,1,1,1
2179 Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],0,,0,,,0,0
2180 OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13,,,0,0,0,1,1
2181 CCC(C)(C)O,,0,0,0,0,0,0
2182 CN1CCC23CCCCC2C1Cc4ccc(C)cc34,0,,0,0,0,,0
2183 CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)O,0,0,0,0,0,0,0
2184 CNC(=O)Nc1ccc(Cl)c(Cl)c1,1,1,0,0,1,,1
2185 OS(=O)(=O)O,0,0,0,0,0,0,0
2186 CN(C)CCOC(=O)COc1ccc(Cl)cc1,0,0,0,0,0,0,0
2187 COC(=O)C(=O)C,0,0,0,0,0,0,0
2188 CCCCCCCCCCCCCCCC(=O)O,0,,0,0,0,0,0
2189 Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,0,0,0,0,0,0,0
2190 CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,0,0,0,0,0,0,0
2191 ClCc1ccc(Cl)cc1Cl,0,0,0,0,0,,0
2192 NCCCC(=O)O,0,,0,0,0,,0
2193 COc1ccccc1N2CCNCC2,0,0,0,0,0,0,0
2194 CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N,0,0,,0,0,0,0
2195 CNC(=S)N(C)C,0,0,0,0,0,0,0
2196 OC12N=C(SC1Cc3cc(Cl)ccc23)c4ccccc4,1,1,,,,1,1
2197 CCCCCCCCCCCCCCCBr,0,0,,0,0,0,0
2198 CCC(=O)Nc1ccc(O)cc1,0,0,0,0,0,0,0
2199 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3,1,,1,0,,1,1
2200 OP(=O)(Oc1ccccc1)Oc2ccccc2,0,0,0,0,0,0,0
2201 Oc1c([nH]c2ccc(cc12)S(=O)(=O)O)C3=Nc4ccc(cc4C3=O)S(=O)(=O)O,0,0,0,0,0,0,0
2202 C1CC(CC=C1)c2ccccc2,0,0,0,0,0,0,0
2203 CC(=CCCC(C)(O)C1CCC(=CC1)C)C,0,0,0,0,0,0,0
2204 C[N+](C)(C)CC1CO1,0,0,0,0,0,0,0
2205 CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC4C5CCC6=CC(=O)C=CC6(C)C5(F)C(O)CC24C,1,1,1,1,0,,1
2206 NC(=N)c1ccc(OCCCOc2ccc(cc2)C(=N)N)cc1,,0,1,,0,0,1
2207 C=Cc1ccc(C=C)cc1,0,0,0,0,0,0,0
2208 Nc1ncc(s1)[N+](=O)[O-],0,0,0,0,0,0,0
2209 CCC(C)c1nccnc1OC,0,0,0,0,0,0,0
2210 CCOc1cccc(c1)n2cc(nc2c3ccc(C)cc3)C(=O)N4CCN(CC4)c5cc(C(=O)O)c6ccccc6c5,,,1,0,,,1
2211 COc1ccccc1N2CCN(CC(O)COc3cccc4ccccc34)CC2,0,,0,0,,,0
2212 ClCCOP(=O)(OCCCl)OCCCl,0,0,0,0,0,0,0
2213 COc1ccc(cc1)c2noc(CC(=O)O)c2c3ccc(OC)cc3,,,,0,0,,0
2214 CCOC(=O)c1cccc(N)c1,,1,0,1,1,0,1
2215 CC1CCC(=C(C)C)C(=O)C1,,,,,0,0,0
2216 CC12CCC(O)CC1CCC3C2CCC4(C)C(CC5OC345)C6=COC(=O)C=C6,,1,,,,1,1
2217 COc1cc(C=C2CCCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,1,1,,,,1,1
2218 NS(=O)(=O)c1ccccc1Cl,0,0,0,0,0,0,0
2219 CCCCCOC(=O)c1ccccc1C(=O)OCCCCC,0,0,0,0,0,0,0
2220 CC(O)C(N)C(=O)O,0,0,0,0,0,0,0
2221 CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0,,0,0,0,,0
2222 CCCOC(OCCC)OCCC,0,0,0,0,0,0,0
2223 OC(=O)Cc1ccc(Cl)cc1Cl,0,0,,0,0,0,0
2224 CC(C)(c1ccc(O)c(c1)c2ccccc2)c3ccc(O)c(c3)c4ccccc4,,1,,,,,1
2225 COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC,1,1,,,1,,1
2226 C=CCCC#N,0,,0,0,0,0,0
2227 CCCCOC(=O)CO,0,0,0,0,0,0,0
2228 C1CN(CCN1)c2ccc3ccccc3n2,,,0,0,,0,0
2229 CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C,0,0,,0,0,,0
2230 CSc1nc(NC2CC2)nc(NC(C)(C)C)n1,,,,,,0,0
2231 CC(CCO)CCC=C(C)C,0,0,0,0,0,0,0
2232 CC(=CCCC(=CCCC(=CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C)C)C,,1,,,,,1
2233 Cc1ccc2c(ccc3ccccc23)c1,,1,0,,,0,1
2234 CCCCOC(=O)c1ccccc1N,0,0,0,0,,0,0
2235 OP(=O)(O)Oc1ccccc1,0,0,0,0,0,0,0
2236 o1ccc2ccccc12,0,0,0,0,0,0,0
2237 OCC(S)CS,1,1,1,0,,,1
2238 CC(C)[N+](C)(C)CC(O)COc1cccc2ccccc12,0,0,0,0,0,0,0
2239 CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3,,1,,,,,1
2240 CC(=O)Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(OC(=O)C)cc4,,1,1,0,,,1
2241 FC(F)(F)c1cccc(Nc2ncccc2C(=O)OC3OC(=O)c4ccccc34)c1,,0,0,0,1,1,1
2242 Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,0,0,0,0,0,0,0
2243 CCCc1ccccc1,0,0,0,0,0,0,0
2244 CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0
2245 CCCCCC(O)C=C,0,0,0,0,0,0,0
2246 CCC(=O)CC,0,0,0,0,0,0,0
2247 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3,0,0,0,0,,,0
2248 CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13,0,0,0,0,,0,0
2249 CN1CCN(Cc2occ(c2)c3ccc4nc(O)oc4c3)C(C1)c5ccc(F)cc5,1,1,1,,,,1
2250 CCCCC(CC)COS(=O)(=O)O,0,0,0,0,0,0,0
2251 CCOC(=O)COc1ccc(C)cc1,0,0,0,0,0,,0
2252 COc1ccc(OC)c(CC(C)N)c1,0,0,0,0,0,0,0
2253 CN(C)CCOC(c1ccccc1)c2ccccc2C,0,0,0,0,,0,0
2254 Brc1c(NC2=NCCN2)ccc3nccnc13,0,0,0,0,0,0,0
2255 CN(C)CCC#N,0,0,0,0,0,0,0
2256 CCC(C)C1SC(C)C(=N1)C,0,0,0,0,0,0,0
2257 O=C1CCCCCCCCCCCN1,0,0,0,0,0,0,0
2258 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,0,0,0,0,0,0,0
2259 CCCCCCCCC(CCCCCC)C(=O)O,,1,,,0,1,1
2260 CCCCCCCCCCCCC=C,0,0,0,0,0,0,0
2261 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1,,1,,,,,1
2262 CCC(=O)NCCC1CCc2ccc3OCCc3c12,,,0,0,1,,1
2263 CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2occc2)cc1,0,,0,0,0,0,0
2264 COC(=O)C(C)(C)C,0,0,0,0,0,0,0
2265 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(=C(O)O1)Sc3cc(C)c(CO)cc3C(C)(C)C,,0,1,0,,,1
2266 OCC(O)C(O)C(O)CO,0,,0,0,0,0,0
2267 COC(=O)C1C(CC2CCC1N2C)OC(=O)c3ccccc3,0,,0,0,0,,0
2268 CC(Oc1cc(Cl)ccc1Cl)C(=O)O,0,0,0,0,0,0,0
2269 CCN(CC)CC(=O)Nc1c(C)cccc1C,,0,0,0,0,0,0
2270 Nc1c2C(O)CCCc2nc3ccccc13,0,0,0,0,0,0,0
2271 NC(=O)C1OC(O)C(O)C(O)C1O,0,,0,0,,,0
2272 OC(=O)COc1ccc(Cl)cc1,0,0,0,0,0,0,0
2273 Clc1ccc(C2CSC(=C(C#N)n3ccnc3)S2)c(Cl)c1,1,1,,1,,1,1
2274 CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,0,0,0,1,,0,1
2275 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,0,0,0,0,0,0,0
2276 CC(C)(C)C=C,0,0,0,0,0,0,0
2277 Cc1ncc[nH]1,0,0,0,0,0,0,0
2278 CCOC(=O)Cc1ccc(cc1)c2ccccc2,0,,0,0,0,1,1
2279 OCCCBr,0,0,0,0,0,0,0
2280 CCC(C)(Oc1ccc(cc1)C2(CCCCC2)c3ccc(OC(C)(CC)C(=O)O)cc3)C(=O)O,0,0,0,0,0,0,0
2281 CC(=CC(C)(C)C)C,0,0,0,0,,0,0
2282 CN=C(NCCSCc1[nH]cnc1C)NC#N,0,0,0,0,0,0,0
2283 IC(=C(I)I)I,,1,,,,,1
2284 O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1,0,,0,0,0,0,0
2285 CCCN1CN(C)C=C1,0,0,0,0,0,0,0
2286 C=CCOC(=O)CCC1CCCCC1,0,,0,0,0,0,0
2287 CCCCCCC1CCOC1=O,0,0,0,0,0,0,0
2288 CC(C)c1ccc(C)c(O)c1,0,0,0,0,0,0,0
2289 CC1CC2(OC3CC4(C)C5=CCC6C(C)(C)C(CCC67CC57CCC4(C)C13)OC8OCC(O)C(O)C8O)OC(O)C9(C)OC29,0,0,,0,,0,0
2290 NCCOS(=O)(=O)O,0,0,0,0,0,0,0
2291 OCCSc1ccccc1,0,0,0,0,0,0,0
2292 CN1C(=O)CN2CCc3ccccc3C2c4cc(Cl)ccc14,0,1,1,,0,,1
2293 CCCCCCCCOC1OC(CO)C(O)C(O)C1O,0,0,0,0,0,0,0
2294 Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1,0,0,0,0,0,0,0
2295 CC(C)C1=CC=C(C)CC1,0,0,,0,0,0,0
2296 CCCCOCCOCCOCCCC,0,0,0,,0,0,0
2297 NC(=O)N1c2ccccc2C=Cc3ccccc13,0,0,0,0,0,0,0
2298 CC(C)COC(=O)C(=C)C,0,0,0,0,0,0,0
2299 CC12CCCC=C1C(=O)OC2=O,0,0,0,0,0,0,0
2300 ClC1OCCOC1Cl,0,0,0,0,0,0,0
2301 OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O,0,0,0,0,0,0,0
2302 Oc1cc(C=C(C#N)C#N)cc(O)c1O,1,,,,,,1
2303 CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,0,0,0,0,0,0,0
2304 CCNc1nc(NC(C)CC)nc(OC)n1,0,0,0,0,0,0,0
2305 CC(C)OC(=O)Nc1cccc(Cl)c1,,1,0,1,0,0,1
2306 CC(CCC=C(C)C)C=O,0,0,0,0,0,0,0
2307 NC(=N)NCCCCC1NC(=O)CCSSCC(NC(=O)C2CCCN2C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CC(=O)O)NC(=O)CNC1=O)C(=O)N,0,0,,0,0,0,0
2308 CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)O,0,0,0,0,0,0,0
2309 CCCCCc1ccc(N)cc1,,1,0,1,,,1
2310 O=C1CCCO1,0,0,0,0,0,0,0
2311 CCCOC(=O)c1ccccc1,0,0,0,0,0,0,0
2312 CC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1,,1,0,1,0,0,1
2313 O=C(c1ccc2C(=O)OC(=O)c2c1)c3ccc4C(=O)OC(=O)c4c3,0,0,0,0,0,0,0
2314 CC(CC(=O)Cl)CC(C)(C)C,0,0,0,,0,0,0
2315 Cc1cccc(Nc2ncccc2C(=O)O)c1C,1,1,0,1,0,,1
2316 Brc1c2ccccc2cc3ccccc13,,1,1,1,0,1,1
2317 Cc1c(O)cccc1C(=O)NC(CSc2ccccc2)C(O)CN3CC4CCCCC4CC3C(=O)NC(C)(C)C,1,1,1,,,,1
2318 O=NN1CCOCC1,0,0,0,0,0,0,0
2319 C1N2CN3CN(CN1C3)C2,0,0,0,0,0,0,0
2320 CCCCC(CC)C(=O)OC(C)C,0,0,0,0,0,,0
2321 CCCCC=C,,0,0,0,0,0,0
2322 C=CC(=O)OCCCCOC(=O)C=C,1,1,1,,,1,1
2323 COC1CCC=CO1,0,,0,0,0,0,0
2324 CCC12COCN1COC2,0,0,0,0,0,0,0
2325 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc4cccnc4,1,1,,1,0,0,1
2326 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,,,,1,1,1,1
2327 CCCCOC(=O)CC,0,0,0,0,0,0,0
2328 C[N+]1(C)CCCCC1COC(=O)C(O)(c2ccccc2)c3ccccc3,0,,,0,0,,0
2329 OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,0,,0,0,0,1,1
2330 CCOC(=O)c1cccnc1,0,0,0,0,0,0,0
2331 Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)[N+](=O)[O-],,1,,,,0,1
2332 CN1C(=O)CC(NC1=O)C(=O)NC(Cc2c[nH]cn2)C(=O)N3CCCC3C(=O)N,0,,0,0,,,0
2333 COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2,0,0,0,0,0,0,0
2334 OC(Cn1ccnc1)(P(=O)(O)O)P(=O)(O)O,0,,0,0,0,,0
2335 NC1CCCCC1,0,0,0,0,0,0,0
2336 CC(=C(CCOC(=O)c1ccccc1)SSC(=C(C)N(Cc2cnc(C)nc2N)C=O)CCOC(=O)c3ccccc3)N(Cc4cnc(C)nc4N)C=O,0,,0,0,,,0
2337 CN(C)C(=N)N=C(N)N,,0,,1,0,0,1
2338 CCCCC(CC)C=O,0,0,0,0,0,0,0
2339 COP(=O)(OC)SCN1C(=O)Oc2cc(Cl)cnc12,1,,,,0,0,1
2340 OC(=O)CC(=C)C(=O)O,0,0,0,0,0,0,0
2341 CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4,0,0,0,0,0,0,0
2342 CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1,1,1,1,1,,0,1
2343 NCCO,0,0,0,0,0,,0
2344 COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],,1,,,,1,1
2345 CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C,1,1,1,,,1,1
2346 CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2,,,0,1,,0,1
2347 CC12CCC(=O)C=C1C3CC3C4C2CCC5(C)C4C6CC6C57CCC(=O)O7,1,0,1,0,,,1
2348 CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1,,1,,1,1,0,1
2349 CNC(=O)C1OC(C(O)C1N)n2cnc3c(NCc4cc(Cl)ccc4OCc5onc(C)c5)ncnc23,0,0,0,0,0,0,0
2350 COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)O)n1,0,0,0,0,0,0,0
2351 OCc1c2ccccc2cc3ccccc13,0,1,0,1,,,1
2352 C[n+]1ccn(CCO)c1,0,0,0,0,0,0,0
2353 CCOC(=O)c1cc(nc2ccc(C)cc12)c3ccccc3,,,0,0,,,0
2354 CC(C)C(C)(C)C(C)(C)C(C)(C)S,0,0,0,0,0,0,0
2355 Nc1ccc2cc(ccc2c1)S(=O)(=O)O,0,0,,0,0,0,0
2356 Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F,,,,1,,1,1
2357 CCN(CC)CCNC(=O)COc1ccc(OC)cc1,0,0,0,0,0,0,0
2358 COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,1,1,1,,1,,1
2359 CN(C)CCCNCCC#N,0,0,0,0,0,0,0
2360 CC(C)(N)C#N,0,0,0,0,,0,0
2361 CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3,0,0,0,0,0,0,0
2362 OC(=O)C1CN(CC=CP(=O)(O)O)CCN1,0,,0,0,0,,0
2363 CC(=O)N1CCN(CC1)c2ccc(OCC3COC(Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2,0,1,0,1,,,1
2364 CCC1CO1,0,0,0,0,0,0,0
2365 NC(=N)NN=Cc1c(Cl)cccc1Cl,,,0,,,0,0
2366 CN1CCN(CC1)C(=O)C2CCCCC2,0,0,0,0,0,0,0
2367 CCCCc1ccc2cccc(c2c1)S(=O)(=O)O,0,0,0,0,0,0,0
2368 CCC(N)c1ccccc1,0,0,0,0,0,0,0
2369 CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4,0,,0,,,,0
2370 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O,0,0,0,0,0,0,0
2371 Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F,1,1,,,,,1
2372 OC(=O)CCCCC1SCC2NC(=O)NC12,0,0,0,0,0,,0
2373 CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cc2F)C#N)cc1,1,,,0,0,0,1
2374 CC(C)N1C(=O)c2ccccc2NS1(=O)=O,0,0,0,0,0,0,0
2375 NC(=O)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0
2376 CC1=C(C=C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C=C)c5C)c(C)c4CCC(=O)O)C(=C3C)CCC(=O)O,0,1,0,0,,0,1
2377 ClC(Cl)C(=O)Cl,0,0,0,0,,0,0
2378 OC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
2379 CC(NNC(=O)c1ccccc1)c2ccccc2,1,1,0,1,0,,1
2380 CCCCCCCC(=O)O,0,0,0,0,0,0,0
2381 CC(C)(C)C(=O)O,0,0,0,0,0,0,0
2382 O=C1CCCc2ccccc12,0,0,0,0,,0,0
2383 CC(C)(C)c1cc(O)ccc1O,,0,0,0,,0,0
2384 CCC(C)Cl,0,0,0,0,0,0,0
2385 CN(C)c1ccc(cc1)N=O,1,1,,,1,1,1
2386 CCCCC(F)(F)C1(O)CCC2C(CCCCCCC(=O)O)C(=O)CC2O1,0,1,,,0,,1
2387 CCc1cc2C(=NCc3nnc(C)n3c2s1)c4ccccc4Cl,,1,1,1,,0,1
2388 NC1C2CN(CC12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F,1,1,0,1,,1,1
2389 CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,0,0,0,0,0,0,0
2390 Cc1ccc(O)c(c1)C(C)(C)C,,0,,,,0,0
2391 CCc1cc(SCc2sc(nc2CN3CCN(CC3)c4ccc(OC)cc4)c5ccc(cc5)C(F)(F)F)ccc1OCC(=O)O,,1,,,,1,1
2392 CCCCCCN,0,0,0,0,0,0,0
2393 CC1(C)SC2C(NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2C1C(=O)O,0,,0,0,0,,0
2394 CN1CCN(CC(=O)N2c3ccccc3NC(=O)c4csc(C)c24)CC1,0,0,0,0,0,0,0
2395 CCCCCCCCC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCCCCCCCC,,,0,0,0,0,0
2396 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2OP(=O)(O)O,1,1,0,0,0,,1
2397 NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,0,0,0,0,0,0,0
2398 OCCN(CCO)C=O,0,0,0,0,0,0,0
2399 CCC(C)N,0,0,0,0,0,0,0
2400 Cc1ccccc1Cl,0,0,0,0,0,0,0
2401 Cc1ccc(N)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0
2402 CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(=O)O,0,0,0,0,0,0,0
2403 CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,,0,0,0,0,,0
2404 CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0
2405 OC(=O)c1ccncc1,0,0,0,0,0,0,0
2406 COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)C(=O)NS(=O)(=O)c5ccccc5C,,,,0,,1,1
2407 CCCCNCCCC,0,0,,0,0,0,0
2408 CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4,,,0,0,0,,0
2409 OC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3)c45,0,0,0,0,0,0,0
2410 CCC(C1OC(CC)(CC1C)C2CCC(O)(CC)C(C)O2)C(=O)C(C)C(O)C(C)CCc3ccc(C)c(O)c3C(=O)O,1,1,1,1,,,1
2411 CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C,0,0,0,0,0,0,0
2412 CN1N(C(=O)C=C1C)c2ccccc2,0,0,0,0,0,0,0
2413 CCOC(=O)C(CCc1ccccc1)NC2CCCN3CCCC(N3C2=O)C(=O)O,0,,0,0,0,,0
2414 Cc1cc(C)n(CO)n1,0,0,0,0,,0,0
2415 OCCOCCOCCOCCO,0,0,0,0,0,,0
2416 OC(C(=O)OCCN1CCCCC1)(c2ccccc2)c3ccccc3,0,,0,0,,,0
2417 C1OC1c2ccccc2,0,0,0,0,0,0,0
2418 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,0,0,,0
2419 Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,1,,0,0,0,0,1
2420 CCCOC(=O)c1cc(O)c(O)c(O)c1,1,1,1,0,,,1
2421 OCC(O)C1OC(=C(O)C1=O)O,0,0,0,0,0,0,0
2422 [O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1,0,0,0,0,0,0,0
2423 CC(C)CC(=O)Oc1ccc(C)cc1,0,0,0,,0,0,0
2424 CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1,,1,0,,,,1
2425 Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C,,,0,0,0,0,0
2426 CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,,,,0,1,,1
2427 NC(=N)NCc1cccc(I)c1,1,1,0,0,1,,1
2428 COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C,0,0,0,0,0,0,0
2429 ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl,0,1,1,0,,0,1
2430 Nc1ccc(Oc2ccc(N)c(N)c2)cc1,1,1,0,,,,1
2431 CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4C3(C)O,0,0,0,0,0,0,0
2432 CCCC(C)C(=O)OCC,,0,,0,0,0,0
2433 CC(CCC#N)C#N,0,0,0,0,0,0,0
2434 CNC(C)Cc1ccccc1OC,0,0,,0,0,0,0
2435 Nc1ccc2ccccc2c1S(=O)(=O)O,1,,0,0,,0,1
2436 CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2,0,0,0,0,,0,0
2437 Oc1nc2C(=O)NC(=O)Nc2[nH]1,0,0,0,0,0,0,0
2438 COP(=O)(O)OC,0,0,0,0,0,0,0
2439 COc1ccc2cc(ccc2c1)C(C)CO,,1,0,1,,,1
2440 Cc1ccc(C)c2ccccc12,0,0,0,0,0,0,0
2441 CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,1,1,,0,1,,1
2442 CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0,,0,0,,,0
2443 NC1=NC(=O)N(C=C1F)C2CSC(CO)O2,0,,0,0,0,,0
2444 Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
2445 Nc1ccc2C(=O)c3ccccc3C(=O)c2c1,1,1,,1,0,0,1
2446 COc1cc2[nH]c(C)c(CCN3CCN(CC3)c4ccccc4)c2cc1OC,0,,0,0,,,0
2447 CC(COc1ccccc1)N(CCCl)Cc2ccccc2,0,1,1,0,0,,1
2448 COC(=C1C(C(=C(COC(=O)N)N=C1C)C(=O)OC(C)C)c2cccc(Cl)c2Cl)O,1,,1,,,1,1
2449 COC(=C1C(C(=C(C)N=C1C)C(=O)OC2CCCN(Cc3ccccc3)C2)c4cccc(c4)[N+](=O)[O-])O,1,1,1,,,,1
2450 CCCCCCOC(=O)c1ccc(O)cc1,1,1,,,,1,1
2451 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,0,0,,0
2452 Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C,0,0,0,0,0,0,0
2453 CC(=C)C(=O)OCCOCCOC(=O)C(=C)C,0,,0,,0,0,0
2454 Cc1ccc(Cl)c(N)c1Cl,0,0,0,0,0,0,0
2455 CC(C)CCCCCCCCCCCCCCC(=O)O,,0,,,1,1,1
2456 CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O,1,1,1,0,,0,1
2457 CCCCC(CC)COCCO,0,0,0,0,0,0,0
2458 CC(C)(c1cc(Br)c(OCC=C)c(Br)c1)c2cc(Br)c(OCC=C)c(Br)c2,0,0,0,0,,0,0
2459 CCCCCCCCCCCCOCC1CO1,0,0,,0,0,0,0
2460 Cc1cc(C)c(O)c(C)c1,0,0,0,0,0,0,0
2461 NCC1(Cc2noc(O)n2)CCCCC1,0,0,0,0,0,0,0
2462 OCC1OC(C(O)C1O)n2cnc3c(O)ncnc23,,0,0,0,0,0,0
2463 CC(=O)Oc1ccc(cc1)C(=O)C,,,0,0,0,0,0
2464 OS(=O)(=O)OOS(=O)(=O)O,0,0,0,0,0,0,0
2465 O=[p+]1oc2ccccc2c3ccccc13,0,0,0,0,0,0,0
2466 OCCN1CCN(CC1)C(=O)CN2C(=O)Sc3ccc(Cl)cc23,0,,0,0,0,,0
2467 Nc1ccc(cc1)c2ccc(F)cc2,,1,0,1,0,0,1
2468 CCCCN1CC(O)C(O)C(O)C1CO,0,0,0,0,0,0,0
2469 CC1CN(CCC1(C(=O)O)c2ccccc2)C3CCC(CC3)(C#N)c4ccc(F)cc4,0,0,0,0,0,0,0
2470 CCOc1ccc(NC(=O)C)cc1N,,,0,1,0,0,1
2471 CC(O)CC(C)(C)O,0,0,0,0,0,0,0
2472 Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,0,0,0,0,0,0,0
2473 CCCCCCCCCCCCI,0,,0,0,0,0,0
2474 C(Oc1ccccc1)C2CO2,0,0,0,0,0,0,0
2475 CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3,,0,1,0,1,1,1
2476 CCCCCCCCCCCSCC(=O)O,0,1,,0,,1,1
2477 OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2,,,0,,,,0
2478 O=C1OC(=O)C2CC=CCC12,0,0,0,0,0,0,0
2479 CCCCCCC(=O)OC1CCC2C3CCC4CC(=O)C=C(C)C4(C)C3CCC12C,1,1,,1,0,,1
2480 C=CN1CCCCCC1=O,0,0,0,0,0,0,0
2481 CC=CC=NNC(=O)c1ccncc1,0,0,0,0,0,0,0
2482 [O-][N+](=O)c1cccc2c(cccc12)[N+](=O)[O-],0,0,0,0,0,0,0
2483 CCOC(=C1C(C(=C(C)N=C1COCCN)C(=O)OC)c2ccccc2Cl)O,1,1,,1,,,1
2484 CCCNC1CCc2nc(N)sc2C1,0,0,0,0,,0,0
2485 CCCCCCCCOS(=O)(=O)O,0,0,0,0,0,0,0
2486 CC1CCCC(=O)C1=O,0,0,,0,0,0,0
2487 CCC(N)Cc1c[nH]c2ccccc12,0,,0,0,,,0
2488 CCCCCCCCN(C)CCCCCCCC,0,0,0,0,0,0,0
2489 CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,0,,0,0,0,,0
2490 CC12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CCC2O,1,1,0,0,,,1
2491 OCC(O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F,,,0,1,,,1
2492 ClCCCl,,0,0,0,0,0,0
2493 CC1(CO)C(O)CCC2(C)C(CC=C3C(O)COC3=O)C(=C)CCC12,1,,,,,,1
2494 CC1(C)N(Cl)C(=O)N(Br)C1=O,0,0,0,0,0,0,0
2495 Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=S)Nc4ccccc4C3=O)CC2,,,,0,0,0,0
2496 CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC,0,0,0,0,0,0,0
2497 CCCCOC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
2498 COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C,1,1,,,1,0,1
2499 COc1cc(NCCCC(C)N)c2ncccc2c1,,,0,,,,0
2500 CN(CCO)CCO,0,0,0,0,,0,0
2501 FC1=CN(C2CCCO2)C(=O)NC1=O,0,0,0,0,0,0,0
2502 COc1cc(c(OC)cc1Cl)c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC5CCCCC5,1,1,,,,,1
2503 Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2,0,0,0,0,0,0,0
2504 CCCCCCOCCO,0,0,0,0,0,0,0
2505 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,0,0,0,0,0,0,0
2506 Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c4cc(O)c(O)c(O)c4,1,0,0,0,,,1
2507 Cc1ccc(N)cc1O,1,,0,0,,0,1
2508 CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(C)(C)C,0,,0,0,0,,0
2509 CCCCCCCCCCCC(=O)OCC(O)CO,0,0,0,0,0,,0
2510 CC(=CCO)C,0,0,0,0,0,0,0
2511 Cc1nc(C)c(C)nc1C,0,0,0,0,0,0,0
2512 Cc1cc(C)c(C)cc1C,0,0,0,0,0,0,0
2513 COc1cc(cc(OC)c1OC)C(=O)N2CCCCCCC2,0,0,0,0,0,0,0
2514 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,0,0,0,0,,0,0
2515 CCC(=O)O,0,0,0,0,0,0,0
2516 OCC(CBr)(CBr)CBr,,0,0,1,0,0,1
2517 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F,0,0,0,0,0,0,0
2518 Oc1ccc(cc1)c2ccc(O)cc2,1,1,,1,,1,1
2519 COC(=O)CC(=O)C(C)(C)C,0,0,0,0,0,0,0
2520 N(c1ccc(Nc2ccc3ccccc3c2)cc1)c4ccc5ccccc5c4,,,0,0,0,,0
2521 NC(=O)OCC1C(NC(=O)C(=NOCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,0,,0,0,0,,0
2522 Nc1ccc(Br)cc1,0,1,,0,,,1
2523 CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,0,0,0,0,0,0,0
2524 Oc1c(Br)cc(Br)c2cccnc12,0,,1,0,,,1
2525 COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0,0,0,0,,0,0
2526 CC(=O)NC(C=O)C(O)C(O)C(O)CO,0,,0,0,0,,0
2527 CC(=CCCC(C)(OC(=O)c1ccccc1)C=C)C,,1,0,0,,0,1
2528 NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1,,,0,0,0,,0
2529 CC12CCC3C(C(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)C1CCC2O,,1,1,1,,0,1
2530 Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],0,0,,0,0,,0
2531 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F,0,0,0,0,0,0,0
2532 N(C=CC=CC=Nc1ccccc1)c2ccccc2,0,0,0,0,0,0,0
2533 COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3,0,0,0,0,0,0,0
2534 CC1CC2=C(CC1(C)C(=O)C)C(C)(C)CCC2,0,0,0,0,0,0,0
2535 CC(C)(C)CC(C)(C)c1ccc(O)cc1,,1,,,,0,1
2536 CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I,0,,0,0,,1,1
2537 COC(=O)CS,0,0,0,0,0,,0
2538 CC(=O)Nc1nnc(s1)S(=O)(=O)N,0,0,0,0,0,0,0
2539 CCN(CC)CCOc1ccccc1OC,,,0,0,,,0
2540 CC(=C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0
2541 OCC(O)COCC=C,0,0,0,0,0,0,0
2542 COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1,0,0,0,0,0,0,0
2543 CCN(CC)C(=O)c1cccc(C)c1,0,0,0,0,0,0,0
2544 CC(=O)C,0,0,0,0,0,0,0
2545 CC1(C)C2CCC1(C)C[N+](C)(CCC[N+](C)(C)C)C2,0,,0,0,0,,0
2546 Oc1ccc(c2cccnc12)[N+](=O)[O-],,,1,,,,1
2547 CC(C)N(C)C,0,0,0,0,0,0,0
2548 OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,,,0,0,0,0,0
2549 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,1,1,1,1,,0,1
2550 OC(=O)C(Br)(Br)Br,0,0,0,0,0,0,0
2551 CCCCCC(CC)OC(=O)CCCOc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
2552 Cc1cccc(Cc2c[nH]cn2)c1C,,0,0,,0,0,0
2553 Clc1ccc(C=O)c(Cl)c1,0,0,0,0,0,0,0
2554 CCOCN(C(=O)CCl)c1c(C)cccc1CC,1,1,,,1,1,1
2555 Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br,0,,,,,1,1
2556 CC1(C)Oc2ccc(cc2C(C1O)N3CCCC3=O)C#N,0,0,0,0,0,0,0
2557 CN1N(C(=O)C(=C1C)NC(=O)c2cccnc2)c3ccccc3,0,0,0,0,0,0,0
2558 C1CC2OC2CC1C3CO3,0,0,0,0,0,0,0
2559 CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,1,1,1,0,,1
2560 Cc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,,0,0,0,0,1,1
2561 C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1,0,0,0,0,0,0,0
2562 CC1=NNC(=O)N(C1)N=Cc2cccnc2,0,0,0,0,0,0,0
2563 CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1,0,0,0,0,,0,0
2564 NC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3c[nH]nn3)c4ccc(O)cc4,0,,0,0,0,,0
2565 CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2,0,0,0,0,,0,0
2566 CC(CCC=C(C)C)CC=O,0,0,0,0,0,0,0
2567 CCOC(=O)COC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],1,,,1,0,1,1
2568 CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0
2569 CC12C3CC(C=C3)C1C(=O)OC2=O,0,0,0,0,0,0,0
2570 CC1CCC2(OC1)OC3C(O)C4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C%10O)C(O)C7O)C(O)CC6(C)C5CCC4(C)C3C2C,,1,,,,,1
2571 CN(C)C(=S)Nc1cccc(C)c1,0,0,0,0,0,0,0
2572 CCCCCC=CCC=CCCCCCCCC(=O)OC,0,0,,0,0,0,0
2573 CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)c3cc(Cl)cc(Cl)c3,1,1,1,1,,1,1
2574 CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],0,,0,0,0,,0
2575 Cc1ccc2nc(N)nc(O)c2c1Sc3ccncc3,0,1,1,,,,1
2576 ClP(Cl)c1ccccc1,0,0,0,0,0,0,0
2577 ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
2578 COC12C3NC3CN1C4=C(C2COC(=O)N)C(=O)C(=C(C)C4=O)N,1,1,,,,1,1
2579 [O-][N+](=O)c1ccccc1Nc2ccccc2,,0,0,,0,0,0
2580 ClCC(Cl)CCl,0,0,0,0,0,0,0
2581 CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C,0,,,0,0,0,0
2582 CCCCC(CC)COCCC#N,0,0,0,0,0,0,0
2583 OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,,0,0,0,,1,1
2584 CC=C(C)C=O,0,,0,0,0,0,0
2585 Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1,1,,0,,,,1
2586 O[P+](=O)c1ccccc1,0,0,0,0,0,0,0
2587 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(OC6CCCCO6)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,1,1,1,1,,,1
2588 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0
2589 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3,0,0,0,0,0,0,0
2590 CC1(C)C(=O)C(C)(C)C1=O,0,0,0,0,0,0,0
2591 Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,,1,0,1,,0,1
2592 Cc1ccc(C=O)cc1C,0,0,0,0,0,0,0
2593 COc1ccc(cc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,0,,0,0,1,0,1
2594 FC(=C1CN2CCC1CC2)COc3ccc4c(c3)[nH]c5ccccc45,,1,,,,1,1
2595 CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC,,1,,,,,1
2596 CCN(CC)C(=O)SCc1ccc(Cl)cc1,0,0,0,0,0,0,0
2597 NC(=O)c1cccnc1,0,0,0,0,0,0,0
2598 FC(F)(F)C(Cl)Br,0,0,0,0,0,0,0
2599 CCCC[N+]1(C)CCCCC1,0,0,0,0,0,0,0
2600 CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O,0,,0,0,0,,0
2601 CN(C)C(=O)NC1(CCN(CCC2(CN(CCO2)C(=O)c3ccccc3)c4ccc(F)c(F)c4)CC1)c5ccccc5,,0,0,0,,,0
2602 CCCOCC(C)O,0,0,0,0,0,0,0
2603 S=C=NCCc1ccccc1,,1,,,,0,1
2604 CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1)C,0,,0,0,0,,0
2605 CC1=NN(C(=O)C1)c2ccc(cc2)C(=O)O,,0,0,,,0,0
2606 CN1C=C(C(=O)c2ccc(F)cc12)S(=O)C,0,0,0,0,0,0,0
2607 CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2,0,0,0,0,0,0,0
2608 CC(=O)NC1C(O)OC(CO)C(O)C1O,0,,0,0,0,,0
2609 CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+](=O)[O-])cc1,1,,,,,0,1
2610 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc3ccc(cc3)C(=O)O,1,1,,0,,,1
2611 CC1=Nc2ccccc2C(=O)O1,0,0,0,1,,0,1
2612 Clc1cc(Cl)nc(Cl)n1,0,,0,0,0,,0
2613 Nc1cccc2ccccc12,0,0,,0,0,0,0
2614 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3,1,1,,,,1,1
2615 CN(C(=S)Oc1ccc2CCCc2c1)c3cccc(C)c3,1,,,0,0,,1
2616 OC(=O)CCCCCCC(=O)O,,0,0,0,0,0,0
2617 CN1C2CCC1CC(C2)OC3c4ccccc4CCc5ccccc35,0,,0,0,,,0
2618 Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(Br)cc2,0,1,,0,,,1
2619 CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC,0,,0,0,,,0
2620 Nc1ccccc1S(=O)(=O)c2ccccc2,,0,0,0,0,0,0
2621 Clc1ccccc1C2CSC(=C(C#N)n3ccnc3)S2,1,,0,1,0,,1
2622 CN1CCC(C(O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl,1,1,,,,1,1
2623 CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,1,1,,,,,1
2624 COc1ccc(N)c(OC)c1,0,0,0,0,0,0,0
2625 CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,1,1,,1,,,1
2626 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N,0,0,0,0,0,,0
2627 C=CCSSSCC=C,0,,0,0,,,0
2628 OCCN1CCN(CCO)CC1,0,0,0,0,0,0,0
2629 CCCCOC(=O)CCCCCCCC(=O)OCCCC,0,0,0,0,0,0,0
2630 OCC1CCC(O1)n2cnc3c(O)ncnc23,0,0,0,0,0,0,0
2631 CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12,,,0,1,,,1
2632 CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc3ccccc3)NC(=O)C(CC(=O)N)NC(=O)c4ccc5ccccc5n4,1,,,,,1,1
2633 CCCCCCCCCCCCCOC(=O)C(=C)C,,0,0,0,0,0,0
2634 NCCc1ccc(O)c(O)c1,0,1,0,0,,0,1
2635 Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O,0,0,0,0,0,0,0
2636 CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)C(O)CC1=O)C(=CC4CCC(Cl)C(C4)OC)C,,1,0,0,,,1
2637 CCCCCCOC(=O)CCC,0,0,0,0,0,0,0
2638 CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C)C(=O)c2ccccc2C1=O)C)C)C)C,0,,0,0,0,,0
2639 OC(=O)CC(C(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
2640 COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2OCC(F)(F)F)n1,0,0,0,0,0,0,0
2641 Nc1ccc(N=Nc2ccccc2)c(N)c1,1,1,0,1,,,1
2642 CC(=O)CC(=O)Nc1ccccc1,,0,0,0,0,0,0
2643 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,0,,0,0,0,,0
2644 Nc1nc2CCN(CC=C)CCc2s1,0,,0,0,0,0,0
2645 CC(=CC(=O)O)C,0,0,0,0,0,0,0
2646 COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,1,1,,1,,0,1
2647 CCCCOP(=O)(OCCCC)OCCCC,0,0,0,0,0,0,0
2648 OS(=O)(=O)c1ccccc1,0,0,0,0,0,0,0
2649 CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C3CCC(=O)N3)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N,0,,0,,0,,0
2650 COc1ncc(F)c2nc(nn12)S(=O)(=O)Nc3c(F)cccc3F,0,0,0,0,0,0,0
2651 Cc1ccccc1NC(=N)Nc2ccccc2C,,0,0,0,0,0,0
2652 CC(C)c1cc(cc(c1)C(C)C)C(C)C,0,0,0,0,,,0
2653 COP(=O)(OC)C(O)C(Cl)(Cl)Cl,,1,0,0,0,0,1
2654 CC(=CCCC(=CCC=C(C)C=C)C)C,,0,1,0,,1,1
2655 ONC(=O)CS(=O)C(c1ccccc1)c2ccccc2,,,0,0,0,,0
2656 Oc1cccc(O)c1,0,0,0,0,0,0,0
2657 NC1=NC(=CC(=N)N1O)N2CCCCC2,0,0,0,0,0,0,0
2658 CNC(=O)Oc1cc(C)cc(c1)C(C)C,,,,0,0,0,0
2659 CC12CCC3C(CCC4=C(O)C(=O)CCC34)C1CCC2OC(=O)CCC5CCCC5,1,1,,1,0,,1
2660 Oc1ccc(cc1)C2(CC3CC2C4CCCC34)c5ccc(O)cc5,,1,,1,,,1
2661 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,0,,0,0,,0,0
2662 CCCCN(CCCC)CC(O)c1cc(Cl)cc2C(=Cc3ccc(Cl)cc3)c4cc(Cl)ccc4c12,,0,,0,,,0
2663 Nc1ccc(NCCO)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0
2664 Nc1cc2CCN3C(=O)C(NC(=O)c4cccnc4)N=C(c5ccccc5)c(c1)c23,0,,0,0,0,0,0
2665 CCN(CC)CCO,0,0,0,0,0,0,0
2666 CCCN(CCC)CCc1c[nH]c2ccccc12,0,0,0,0,,0,0
2667 CCOC(=O)c1cncn1C(C)c2ccccc2,0,0,0,0,0,0,0
2668 Clc1cccc(Cl)c1,0,,0,0,0,0,0
2669 CC(=O)CCC(=O)O,0,0,0,0,0,0,0
2670 CCCCCCCCCCCCCC(=O)OC,0,0,0,0,0,0,0
2671 Oc1ccc(cc1)C2(c3ccc(O)cc3)c4ccccc4c5ccccc25,1,,,,,,1
2672 CN(CCCOc1ccc(Cl)cc1Cl)CC#C,1,1,0,1,,0,1
2673 CCC(C)(CCCC(C)C)OC(=O)C,0,0,0,0,0,0,0
2674 Cc1ccc(O)c2ncccc12,,1,,,,,1
2675 C(Cc1ccccc1)Nc2nc(cs2)c3ccccc3,1,1,,1,0,0,1
2676 CC(=O)CC(C)(C)NC(=O)C=C,0,0,0,0,0,0,0
2677 OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3cccnc3,1,,,1,,,1
2678 CC1CCC(CO)CC1,0,,,0,0,0,0
2679 CCCCC(CC)COCC1CO1,0,0,0,0,0,0,0
2680 Oc1nncc2ccccc12,0,0,0,0,0,0,0
2681 COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,0,,0,0,0,0,0
2682 CCc1ccc(C)cc1,0,0,0,0,0,0,0
2683 CN(C)N,0,0,0,0,0,0,0
2684 OS(=O)(=O)c1cccc2ccccc12,0,0,,0,0,0,0
2685 CC(=C)C(=O)OCCOP(=O)(O)O,0,0,0,0,0,,0
2686 CCC(C)C(N1Sc2ccccc2C1=O)C(=O)O,,0,0,0,0,,0
2687 ClCCCCCCCl,0,0,0,0,0,0,0
2688 CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O,0,0,0,0,0,0,0
2689 CC(CSC(=O)c1ccccc1)C(=O)N2CC(CC2C(=O)O)Sc3ccccc3,0,0,0,0,0,0,0
2690 C[N+]1(CC2COC(O2)(C3CCCCC3)c4ccccc4)CCCCC1,,0,0,0,0,0,0
2691 OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O,0,0,0,0,0,0,0
2692 Nc1ccc(cc1O)[N+](=O)[O-],,0,0,0,,1,1
2693 CC(=O)CCc1ccc(O)cc1,0,0,0,0,0,0,0
2694 CCn1nc(Cc2ccccc2)cc1C3CCN(CC4CC(CC4c5cccc(F)c5)N(C)C(C(C)C)C(=O)O)CC3,,1,0,0,,,1
2695 CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C,0,0,0,0,0,0,0
2696 CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,,0,,,,0,0
2697 CC(Oc1ccc(Cl)cc1Cl)C(=O)O,0,0,0,,0,0,0
2698 CNC(=O)N(c1ccccc1)c2ccccc2,0,0,0,0,,0,0
2699 Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],,0,,,1,0,1
2700 CCOC(=O)C1OC1(C)c2ccccc2,0,0,0,0,0,0,0
2701 CC(C)Cc1ccc(CCc2cc3C(=NC(C)c4nnc(C)n4c3s2)c5ccccc5Cl)cc1,1,1,,1,,,1
2702 CC(=C)C1CCC(=CC1)C,0,0,0,0,0,0,0
2703 CC(COc1ccc(cc1)C(C)(C)C)OS(=O)OCCCl,0,,0,0,0,0,0
2704 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1,,0,0,0,,0,0
2705 Nc1ccc(SC#N)cc1[N+](=O)[O-],,1,,,,,1
2706 SC1CCCCC1,0,0,0,0,0,0,0
2707 Cc1cc(O)c2ccccc2c1O,0,,0,0,,,0
2708 CC(CCC=C(C)C)CC(=O)O,0,0,,,0,0,0
2709 Clc1cccc(Cl)c1S(=O)(=O)Cl,,0,0,0,0,0,0
2710 CCCCc1ccc2C(C(C(c3ccc(OC)cc3CC(C)C(=O)O)c2n1)C(=O)O)c4ccc5OCOc5c4,0,0,,0,0,0,0
2711 OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0
2712 Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,0,1,0,1,,,1
2713 C(=Cc1ccccc1)c2ccccc2,0,,0,1,0,0,1
2714 OCC1OC(CC1O)N2C=C(I)C(=O)NC2=O,1,,1,,0,0,1
2715 CCn1ccnc1CC2COc3ccccc3O2,0,0,0,0,0,0,0
2716 CCCCCCCCCCCCOCCO,,1,0,,0,0,1
2717 CCN1CCCC1CNC(=O)c2c(OC)ccc(Br)c2OC,0,0,0,0,0,0,0
2718 Fc1cccc(C=CC(=O)NC2CC2)c1,0,,0,1,0,,1
2719 CC(O)c1ccccc1,0,0,0,0,,0,0
2720 FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,0,0,0,0,0,0,0
2721 OC(=O)C1CSCN1,0,0,0,0,0,0,0
2722 OC(=O)CC#N,0,0,0,0,0,0,0
2723 CC(C)(C)C(=O)CCl,0,0,0,0,0,0,0
2724 Cc1cc(c(O)c(C)c1CN2C(=O)N(Cc3c(C)cc(c(O)c3C)C(C)(C)C)C(=O)N(Cc4c(C)cc(c(O)c4C)C(C)(C)C)C2=O)C(C)(C)C,,1,,1,,0,1
2725 C(Cc1c[nH]c2ccccc12)C3CCNCC3,0,,0,0,,,0
2726 CCN(Cc1c(F)cccc1Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],,,1,1,1,0,1
2727 Clc1ccc2[nH]nnc2c1,0,,0,0,0,,0
2728 O=C1N2Cc3ccccc3C(=O)N2Cc4ccccc14,0,,0,0,0,,0
2729 N(c1ccccc1)c2ccc3ccccc3c2,1,1,0,,,,1
2730 ClC(=Cn1cncn1)c2ccc(Cl)cc2Cl,0,0,,1,,0,1
2731 CC(C)CC(NC(=O)C)C(=O)O,0,0,0,0,0,0,0
2732 ClC(=O)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0
2733 CNC(=O)OCC[N+](C)(C)C,0,,0,0,,,0
2734 CC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(N)CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O,0,,0,0,0,,0
2735 CC(=CCCC(=CCOC(=O)C)C)C,0,0,0,0,0,0,0
2736 C1CC2C3CCC(C3)C2C1,0,0,0,0,0,0,0
2737 CC(=C)C(=O)OCc1ccccc1,0,0,0,0,0,0,0
2738 ClC(Cl)C(=O)N(CC=C)CC=C,0,0,0,0,0,0,0
2739 ON=Cc1oc(cc1)[N+](=O)[O-],,1,0,0,0,0,1
2740 CC(C)(C)C(=O)C(=O)O,0,0,0,0,0,0,0
2741 NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O,1,0,1,,0,0,1
2742 CC1=Nc2ccccc2C(=O)N1c3ccccc3Cl,0,0,0,0,0,0,0
2743 CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC12C,1,1,1,,0,,1
2744 Nc1ccccn1,0,0,0,0,0,,0
2745 Nc1c(CC(=O)O)cccc1C(=O)c2ccccc2,,,0,0,0,1,1
2746 CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C,1,1,1,,0,,1
2747 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl,1,,1,,0,,1
2748 NC(=O)Nc1nc2ccccc2[nH]1,0,0,0,,0,0,0
2749 CC(=C(CCO)SSCC1CCCO1)N(Cc2cnc(C)nc2N)C=O,0,,,0,0,,0
2750 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,,0,0,0,0,0,0
2751 O=C1CCCCCN1SSN2CCCCCC2=O,,,1,,,0,1
2752 CC1CN(NC1=O)c2ccccc2,,,,1,0,,1
2753 ON(N=O)c1ccccc1,0,1,0,,0,0,1
2754 CCNC(=O)C=Cc1cccc(Br)c1,,,0,1,0,0,1
2755 CC(=C1CCC(=CC1)C)C,0,0,0,0,,0,0
2756 BrCc1ccccc1,0,0,0,0,0,0,0
2757 CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c5ccc(cc5)N(C)C,1,1,1,,,1,1
2758 FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1,0,,0,,0,0,0
2759 Cc1cccc(Nc2ccccc2C(=O)O)c1C,,,,0,1,1,1
2760 Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1,,1,,,,,1
2761 CC(=O)C=CC1=C(C)CCCC1(C)C,0,0,0,0,0,0,0
2762 CCCCOC(=O)C(C)OC(=O)CCC,0,0,0,0,0,0,0
2763 Cc1oc(C)c(C(=O)Nc2ccccc2)c1C,,1,,1,1,1,1
2764 CCOc1cc(cc(OCC)c1OCC)c2nccc3cc(OC)c(OC)cc23,,,0,,,,0
2765 OCCOC(=O)c1ccccc1O,0,,0,0,0,,0
2766 CC(C)NC(=O)NC(C)C,0,0,0,0,0,0,0
2767 COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F,,,0,,,,0
2768 Brc1cccc(c1)c2ccccc2,,,,,0,0,0
2769 CC1COC2(N1CC(=O)Nc3ccc(Cl)cc23)c4ccccc4Cl,,1,,,,,1
2770 OC(CNCC(O)C1CCc2cc(F)ccc2O1)C3CCc4cc(F)ccc4O3,,1,,,,1,1
2771 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C=C(C)C=CC=C(C)C=CC3=C(C)CCCC3(C)C)c(C)c(C)c2O1,0,1,0,1,1,,1
2772 CC(=O)SC1CC2=CC(=O)CCC2(C)C3CCC4(C)C(CCC45CCC(=O)O5)C13,1,1,1,1,,1,1
2773 NC(CCC(=O)O)C=C,0,,0,0,0,,0
2774 CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)c3ccccc3)C2=O,0,0,,0,0,0,0
2775 CCN(O)CC,0,0,0,,0,0,0
2776 COc1ccc(N)cc1,0,,0,0,1,,1
2777 CC(C)C=O,0,0,0,0,,0,0
2778 COC(=O)N,0,0,0,0,0,0,0
2779 Clc1cccc2C(=O)c3ccccc3C(=O)c12,,1,,,,,1
2780 CC1C2CC(CC2C3CCCC(O)C3)C1(C)C,,1,,,,0,1
2781 CCCCOCCOC(=O)C,,0,0,0,0,0,0
2782 CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C,0,0,,0,,0,0
2783 COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,0,1,0,1,1,,1
2784 CCOCCOCCO,0,0,0,0,0,0,0
2785 O=C1CCCCCCCCCCC(=O)OCCO1,0,,,,,0,0
2786 COP(=O)(OC)OC,0,0,0,0,0,0,0
2787 Clc1ccccn1,0,0,0,0,0,0,0
2788 NS(=O)(=O)c1cc(c(NCc2cccs2)cc1Cl)c3nn[nH]n3,0,0,0,0,,0,0
2789 CC(C)COC(=O)c1ccccc1,0,0,0,0,0,0,0
2790 Cc1c(Br)c(O)c(Br)cc1C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4C,,,0,,,0,0
2791 CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,0,0,0,0,0,0,0
2792 ClC(=O)OCc1ccccc1,0,0,0,0,0,0,0
2793 CCOC(=O)C(CS)NCCNC(CS)C(=O)OCC,0,,0,0,0,,0
2794 CC(=O)c1cccc(c1)[N+](=O)[O-],0,0,0,0,0,0,0
2795 CC(=O)CC(C)(C)C1CCCCC1,0,0,0,0,0,0,0
2796 CCOC(=O)CC(C)C,0,0,0,0,0,0,0
2797 Brc1ccccc1c2ccccc2,0,0,0,0,,0,0
2798 COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC,1,1,1,1,0,,1
2799 CN1C2CCC1CC(C2)NC(=O)N3C(=O)Nc4ccccc34,0,0,0,0,0,0,0
2800 COc1ccc(CCN(CCc2ccc(OC)c(OC)c2OC)C(=O)C(C3=NCCc4cc(OC)c(OC)cc34)c5ccccc5)c(OC)c1OC,1,0,1,0,,1,1
2801 CN(C)c1ccc(CCO)cc1,0,0,0,0,0,0,0
2802 C[N+]12CCCCC1CCC(=C(c3cccs3)c4cccs4)C2,,,0,0,,,0
2803 Cc1cc(Cl)c(C)cc1Cl,0,0,0,0,0,0,0
2804 CC(N)COc1c(C)cccc1C,0,0,0,0,0,0,0
2805 Oc1oc2ccc(Cl)cc2n1,0,,0,0,0,0,0
2806 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4,0,0,0,0,0,0,0
2807 CCN(CC)C(=O)NC1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1,,,0,0,,,0
2808 N#CSCc1ccccc1,,,1,0,,,1
2809 Nc1cc(cnc1O)c2ccncc2,0,0,0,0,0,0,0
2810 CC12CCC3C(CCc4cc(OC(=O)c5ccccc5)ccc34)C1CCC2O,1,1,1,0,0,,1
2811 CCC12CC(=C)C3C(CCC4=CCCCC34)C1CCC2(O)C#C,1,1,,0,,,1
2812 ClCC#CCOC(=O)Nc1cccc(Cl)c1,1,,1,,,1,1
2813 CC1CC(C)(C)c2cc(C(=O)C)c(C)cc2C1(C)C,0,,0,,,0,0
2814 Cc1ccccc1S,0,0,0,0,0,0,0
2815 CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C,0,0,0,0,0,0,0
2816 COc1ccc(C(=O)CCC(=O)O)c2ccccc12,,,0,0,0,,0
2817 CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C,0,0,0,0,0,0,0
2818 Oc1ccnc(S)n1,0,0,0,0,0,0,0
2819 CC1CCCNC1,,,0,0,0,0,0
2820 CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,1,0,,1,,0,1
2821 OCCN(CCO)c1ccccc1,0,0,0,0,0,0,0
2822 OC(=O)C=Cc1c[nH]cn1,0,0,0,0,0,0,0
2823 NC(C1CC(=NO1)Cl)C(=O)O,,,1,1,,,1
2824 COc1cc(OC)cc(OC)c1,0,0,0,0,0,0,0
2825 COC(=O)c1ccc(C(=O)OC)c(c1)C(=O)OC,0,0,0,0,0,0,0
2826 c1ccc(cc1)C(c2ccc(cc2)c3ccccc3)n4ccnc4,1,,,1,,,1
2827 CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,0,0,0,0,0,,0
2828 N(Nc1ccccc1)c2ccccc2,0,,0,0,,0,0
2829 CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1,0,,0,0,0,,0
2830 COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,0,0,0,0,0,0,0
2831 CCCCC#N,0,0,0,0,0,0,0
2832 CCOCCOCCOCC,0,0,0,0,0,0,0
2833 Cc1ccccc1N,0,0,0,0,0,0,0
2834 CCCCCCCCCCCCOCCOS(=O)(=O)O,0,,0,,,1,1
2835 CCCCC(=O)O,0,0,0,0,0,0,0
2836 COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC,,0,0,0,0,0,0
2837 CC1(C)CCCC2(C)C1CCC3(C)OC(=O)CC23,,1,0,,,0,1
2838 NC(C(=O)O)c1ccc(O)cc1,0,0,0,0,,0,0
2839 ClCC=O,0,0,0,0,0,0,0
2840 CC(C[N+](C)(C)C)OC(=O)C,0,0,0,0,0,0,0
2841 CC1CC(=O)NN=C1c2ccc(NCC(C)(C)NCC(O)COc3cc(Cl)ccc3C#N)cc2,0,,0,0,0,0,0
2842 N#CC(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
2843 CCCC(=O)Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC,0,,0,0,0,,0
2844 Fc1ccc(C(=O)NS(=O)(=O)C=Cc2cccs2)c(Br)c1,1,1,,0,0,,1
2845 OC1CCCNC1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O,0,,0,0,,,0
2846 Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F,1,1,,,,0,1
2847 Cc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],,,,0,,0,0
2848 NC(=N)NCC1COC2(CCCCC2)O1,0,,0,0,0,,0
2849 CC(C)(ON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccccc3)c4csc(N)n4)C(=O)O,0,,,0,0,,0
2850 CCC1(C)NC(=O)NC1=O,0,0,0,0,0,0,0
2851 CCc1cccc(C)c1,0,0,0,0,0,0,0
2852 CC=CC=CC(=O)O,0,0,0,0,0,0,0
2853 CN1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0
2854 CC=O,1,1,,1,1,,1
2855 OC1=C(CC2=C(O)Oc3ccccc3C2=O)C(=O)c4ccccc4O1,,1,,,1,1,1
2856 CC(=CC(=O)O)C=CC1(O)C(=CC(=O)CC1(C)C)C,0,,,0,0,0,0
2857 CCNC(=S)NCC,0,0,0,0,0,0,0
2858 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,0,1,,1,0,1,1
2859 CC1=CN(C2CC(F)C(CO)O2)C(=O)NC1=O,0,0,0,0,0,0,0
2860 CN=C(NC#N)Nc1ccc(cc1)C2=NNC(=O)CC2C,0,0,0,0,,0,0
2861 Oc1ccc2c(Cc3ccccc23)c1,,1,1,1,,1,1
2862 Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,1,1,,,,1,1
2863 OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24,,0,0,0,,0,0
2864 Oc1ccc(c(Cl)c1)c2ccccc2,,1,,0,,,1
2865 CCCCCCCC1CCCC1=O,0,0,0,0,0,0,0
2866 COC(OC)OC,0,0,0,0,0,0,0
2867 CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,1,,0,1,,,1
2868 COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl,,1,1,1,,1,1
2869 Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,1,1,,1,1,,1
2870 CCOc1ccc(CC2NC(=O)CCSSCC(NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC2=O)C(C)CC)C(C)O)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)cc1,0,,0,0,0,,0
2871 CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,,,,1,0,0,1
2872 CN1CC(CC2C1Cc3c[nH]c4cccc2c34)C(=O)NC5(C)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C5=O,1,0,0,0,,,1
2873 O=C1OC(=O)C2CCCCC12,0,0,0,0,0,0,0
2874 OC(=O)c1ccccn1,0,0,0,0,0,0,0
2875 NC(=N)N1CCc2ccccc2C1,0,0,0,0,0,0,0
2876 CCCOC(=O)C,0,0,0,0,0,0,0
2877 Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,0,0,0,0,0,0,0
2878 CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1,0,0,,1,0,0,1
2879 NC(=O)NNc1ccccc1,0,0,0,0,0,0,0
2880 CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,0,0,,0,0,0,0
2881 CC1OC(OCC2OC(OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)C(O)C(O)C2O)C(O)C(O)C1O,0,,0,0,0,,0
2882 COCCOCCO,0,0,0,0,0,0,0
2883 ClCCl,0,0,0,0,0,0,0
2884 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C,1,1,1,1,0,,1
2885 Nc1ccccc1,0,0,0,0,0,0,0
2886 CC(C=CC(O)C1CC1)C2CCC3C(=CC=C4CC(O)CC(O)C4=C)CCCC23C,1,1,,0,,,1
2887 Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1,,0,0,0,0,0,0
2888 COc1ccc2[nH]c(nc2n1)S(=O)Cc3ncc(C)c(OC)c3C,0,,0,0,,0,0
2889 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,0,,0,0,,,0
2890 CC1=CC(=O)CCC1,0,0,0,0,0,0,0
2891 Clc1ccc(Cl)cc1,0,0,0,0,0,0,0
2892 COc1ccc(CCNCC(O)c2ccc(O)cc2)cc1OC,0,,0,0,0,,0
2893 CC(C)c1nc(C)cc(O)n1,0,0,0,0,0,0,0
2894 CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C,0,0,0,0,,0,0
2895 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl,0,0,0,0,0,0,0
2896 CCNc1nc(Cl)nc(NC(C)(C)C)n1,,1,1,,0,0,1
2897 O=C1CCCCCO1,0,0,,0,0,0,0
2898 Cc1cc(nc(Nc2ccccc2)n1)C3CC3,,1,,1,,0,1
2899 CC(=CCCC(=CC#N)C)C,0,0,0,0,0,0,0
2900 CC(C)(C)C(=O)CC(=O)C(C)(C)C,0,0,0,0,0,0,0
2901 CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(=O)C)cc1,0,,0,0,0,0,0
2902 CC1=C(C(C(=C(O)OCCN(Cc2ccccc2)c3ccccc3)C(=N1)C)c4cccc(c4)[N+](=O)[O-])P5(=O)OCC(C)(C)CO5,1,,1,,,1,1
2903 CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1,,1,0,1,0,1,1
2904 [N-]=[N+]=[N-],,,0,0,0,0,0
2905 Cc1ccncc1,0,0,0,0,0,0,0
2906 O=C(NC1CC1c2ccccc2)C3CCC(=O)N3,0,,0,0,0,,0
2907 Oc1ccc2OCOc2c1,1,,0,,1,,1
2908 ClCBr,0,0,0,0,0,0,0
2909 COC(=O)c1ccc(cc1)C(=O)O,0,0,0,0,0,0,0
2910 CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,0,0,,0,0,0,0
2911 CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c2cc(Br)c(OCCO)c(Br)c2,,1,,1,,1,1
2912 CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,0,0,0,0,0,0,0
2913 COC(C)COC(C)COC(C)CO,0,0,0,0,0,0,0
2914 Fc1ccc(cc1)C2C(=O)c3ccccc3C2=O,0,,0,0,0,,0
2915 CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc4ccccc14,,1,,,,,1
2916 CN1CCN(CCC(=O)N2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,0,0,,0,,,0
2917 CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c4ccccc4)c5ccccc15,1,1,,1,1,1,1
2918 C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2c3ccccc13)C4c5ccccc5c6ccccc46,0,,0,0,0,,0
2919 COc1cc(ccc1O)C2Oc3cc(ccc3OC2CO)C4Oc5cc(O)cc(O)c5C(=O)C4O,,,0,0,0,0,0
2920 CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)COC(=O)CC,1,1,1,1,0,,1
2921 CCCCCCCCCCCCCOS(=O)(=O)O,,1,,0,,1,1
2922 NC(=O)N1C(=O)C(C(=O)c2cc(Cl)cs2)c3cc(F)c(Cl)cc13,1,,1,,,1,1
2923 CNC(=O)ON=C(C)C(C)S(=O)(=O)C,0,0,0,0,0,0,0
2924 CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O,0,,0,,0,,0
2925 NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCN=C(N)N,0,,0,0,0,,0
2926 CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C(=O)CO,1,1,1,1,,,1
2927 CC(=O)c1ccccc1O,0,0,0,,0,0,0
2928 [O-][N+](=O)c1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)cc2,0,,0,0,,0,0
2929 CC(C)(O)C(=O)c1ccccc1,0,0,0,0,,0,0
2930 O=C1NC(=O)c2cccc3cccc1c23,0,,0,0,0,0,0
2931 CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(N=CN3CCCCCC3)C2=O,0,,0,0,0,,0
2932 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-],0,0,0,0,,0,0
2933 Cc1ccccc1C=O,0,0,0,0,0,0,0
2934 CC(=O)OC(C)(C)Cc1ccccc1,,0,0,0,0,0,0
2935 O=CN1CCOCC1,0,0,0,0,0,0,0
2936 NC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0,0,0,0,,0,0
2937 CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)C5(O)CC(OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C,1,,,0,,,1
2938 CC(O)CCO,0,0,0,0,0,0,0
2939 Cn1c(N)nc2ncnc2c1O,,,0,0,0,0,0
2940 CS(=O)(=O)O,,0,0,0,0,0,0
2941 Nc1nc(O)c2ncn(CCC(CO)CO)c2n1,0,0,0,0,0,0,0
2942 CCC(CN)CC(C)CCNCC(O)CNCC(C)CC(CC)CN,0,,0,0,0,,0
2943 CC(C)CC(O)Cc1ccccc1,0,0,0,0,0,0,0
2944 CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(OCCO)C1OC(CC1OCCO)OCCO,,0,0,,0,,0
2945 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccc(N)n3CCO)c4csc(N)n4,0,,0,0,0,,0
2946 CCCCCC(O)C=CC1C(O)CC(=O)C1CCCCCCC(=O)O,1,1,,0,0,,1
2947 CNC(=C[N+](=O)[O-])NCCSCc1oc(CN(C)C)cc1,0,0,0,0,0,0,0
2948 OCc1occc1,,0,0,0,0,0,0
2949 CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2,1,,0,0,0,0,1
2950 CCN(CC)CCOC(=O)c1ccc(N)cc1,0,0,0,0,0,0,0
2951 OCCCc1ccccc1,0,0,0,0,0,0,0
2952 CC(C)COC(=O)c1ccc(O)cc1,,1,0,1,,0,1
2953 CC(C)(C)C(=O)Cl,0,0,0,0,0,,0
2954 Oc1c(Cl)cc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2,,1,1,,,,1
2955 CCCC(C)(COC(=O)N)COC(=O)NC1CC1,0,,0,0,0,,0
2956 CN1CCOCC1,0,0,0,0,0,0,0
2957 CCOC(=S)S,,0,0,,1,,1
2958 CCCC(=O)OC1(CCC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)COC(=O)C,1,1,1,1,0,,1
2959 CCNC1(CCCCC1=O)c2cccs2,0,,0,0,0,,0
2960 COc1cc(CC(C)C)cc(OC)c1OC,0,0,0,0,0,,0
2961 CCCCCCCCCCCCCCCO,0,0,0,0,0,0,0
2962 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34,,,,1,,,1
2963 COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)O,,1,1,1,,1,1
2964 OC(=O)CCCCCCCCCCCC(=O)O,0,0,0,,0,0,0
2965 OC(=O)C(Cl)(Cl)Br,0,0,0,0,0,0,0
2966 CCCCCCCOC(=O)C,0,0,0,0,0,0,0
2967 CN(C)c1ccc(cc1)N=NS(=O)(=O)O,,,,0,,0,0
2968 Cc1ccc(cc1)S(=O)(=O)N,0,0,0,0,0,0,0
2969 CCCC[n+]1ccc(C)cc1,0,0,0,0,0,0,0
2970 CCC(CO)NCCNC(CC)CO,0,0,0,0,0,0,0
2971 CCCCCCCCCCCCCO,0,,0,0,0,0,0
2972 CCN(CC)CCSCC(=O)OC1CC(C)(C=C)C(O)C(C)C23CCC(C)C1(C)C2C(=O)CC3,0,,,0,,,0
2973 CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O,,,0,0,0,,0
2974 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26,1,1,,0,,,1
2975 CC(=O)OC(=O)C,0,0,0,0,0,0,0
2976 Brc1c(Br)c(Br)c(Br)c(Br)c1Br,0,0,0,0,0,0,0
2977 CCCc1ccc(OC)cc1,0,0,0,0,0,0,0
2978 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,,0,0,0,0,1,1
2979 CC(=NO)C(=NO)C,0,,0,0,,0,0
2980 O=C1Nc2ccccc2C1=O,0,0,0,0,0,0,0
2981 CCN(CC)c1ccc(N=Nc2ccc(cc2)S(=O)(=O)N(C)C)c(c1)S(=O)(=O)NCC[n+]3ccccc3,0,,,0,0,,0
2982 CN(C)CCOC(=O)C=C,0,0,0,0,0,0,0
2983 OC1CC(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)(OC(=O)C=Cc3ccc(O)c(O)c3)C(=O)O,0,0,0,0,0,0,0
2984 OC(=O)CN1c2ccccc2C(=O)c3ccccc13,,,1,0,0,1,1
2985 Cc1cc(C)c(C=C2C(=O)Nc3ccccc23)[nH]1,,1,1,0,,1,1
2986 CCC1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N,0,0,0,0,0,0,0
2987 CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O,1,,1,0,,0,1
2988 CCCC(C)C,0,0,0,0,0,0,0
2989 CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,0,0,0,0,0,0,0
2990 CCOC(=O)C1(Oc2ccccc2C1N)c3ccccc3,,1,,1,,,1
2991 CC(C)Nc1ccc(NC(C)C)c2C(=O)c3ccccc3C(=O)c12,0,,0,,,0,0
2992 C(C=Cc1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4,0,0,,0,,0,0
2993 [O-][N+](=O)c1ccc(Cl)c(Cl)c1,0,0,0,0,0,0,0
2994 CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl,0,0,0,1,,,1
2995 CCC(CC)(CC(=O)Nc1cccc(C=Cc2nc(cs2)C3CCC3)c1)C(=O)O,,,0,0,,1,1
2996 Ic1ccccc1C(=O)Nc2ccccc2,1,,0,,0,0,1
2997 CCCCCCCCCCC=CC#N,0,0,0,0,0,0,0
2998 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,0,,0,0,0,,0
2999 CC1OC(=O)C(C)OC1=O,0,0,0,0,0,0,0
3000 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CCC8(C)C(CCC78O)C9=CC(=O)OC9)C5,1,,,,0,,1
3001 CCCCCC(=O)C,0,0,0,0,0,0,0
3002 OCCOc1cccc(OCCO)c1,0,0,0,0,0,0,0
3003 CCCCCCOC(=O)C(C)CC,0,0,0,0,0,0,0
3004 CCCCCCCCCCCCCCCCSCC(COC)COP(=O)(O)OCC[N+](C)(C)C,,1,,0,,,1
3005 CNC(=O)N(C)c1nnc(s1)C(C)(C)C,0,0,0,0,0,0,0
3006 Cc1c(Cl)cccc1Nc2ncccc2C(=O)O,1,1,0,1,,,1
3007 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl,0,0,0,0,0,0,0
3008 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C)C,,1,,0,,1,1
3009 [O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl,0,0,,0,0,0,0
3010 ClC1=C(Cl)C2(Cl)C3C(C(=O)OC3=O)C1(Cl)C2(Cl)Cl,0,0,0,0,0,0,0
3011 CCSCC,,,0,0,0,0,0
3012 Oc1ccc(Cl)c2CCCc12,0,,0,0,0,,0
3013 CC(C)(O)Cc1ccccc1,0,0,0,0,0,,0
3014 COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
3015 Clc1ccc(Cl)c(Cl)c1,0,0,0,0,,0,0
3016 [O-][N+](=O)c1ccc2CCc3cccc1c23,1,1,,0,0,0,1
3017 CCCCOC(=O)c1ccccc1C(=O)OCCCC,0,0,0,0,0,0,0
3018 CC(c1ccc(C)c(C)c1)c2ccc(C)c(C)c2,0,0,0,,0,0,0
3019 CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2,0,0,0,0,,0,0
3020 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN4CCN(C)CC4)c2c1,,,0,,,,0
3021 Nc1c2CCCc2nc3CCCCc13,0,0,0,0,0,0,0
3022 CCOc1ccc(cc1)[N+](=O)[O-],1,1,,,,,1
3023 CCc1cc(cc2OCOc12)C3=C(N(c4ccccc4C(F)(F)F)S(=O)(=O)c5ccccc35)C(=O)O,1,,,0,0,1,1
3024 CCCC[n+]1cccc(C)c1,0,0,0,0,0,0,0
3025 Oc1c(I)cc(cc1I)C#N,,1,,1,,,1
3026 OC(=O)CCNC(=O)c1ccc(cc1)N=Nc2ccc(O)c(c2)C(=O)O,,0,0,0,0,0,0
3027 CC1CS(=O)(=O)CCN1N=Cc2oc(cc2)[N+](=O)[O-],0,,0,0,0,,0
3028 OCCc1ccccc1,0,0,0,0,0,0,0
3029 CN1C(=O)N(Cc2cnc(Nc3ccc4OC(CO)COc4c3)nc12)c5ccccc5Br,,1,,,,,1
3030 Cc1cnc2c(C(=O)O)c(Cl)ccc2c1,0,0,0,0,0,0,0
3031 OC(=O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
3032 C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3,0,0,0,0,0,0,0
3033 COc1ccc(CC(N)C(=O)NC2C(CO)OC(C2O)n3cnc4c(ncnc34)N(C)C)cc1,,1,1,,,,1
3034 OC1C(O)C(O)C(O)C(O)C1O,0,0,0,0,0,0,0
3035 CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1,1,,0,0,0,,1
3036 CC(=CCCC(C)(OC(=O)c1ccccc1N)C=C)C,0,0,0,0,0,0,0
3037 ClCCNP1(=O)OCCCN1CCCl,0,0,0,0,0,0,0
3038 OC1OC2C(O)C(OC2=O)C1O,0,,0,0,0,,0
3039 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,,1,1,,,1,1
3040 COc1cccc(N)c1,0,1,,0,0,1,1
3041 NCCc1ccc(O)cc1,0,0,0,0,0,0,0
3042 CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(CC(C)C(=O)C(C)C3N(CCCCn4cnc(c4)c5cccnc5)C(=O)OC13C)OC,,,0,0,0,,0
3043 CCCN1CCCCC1C(=O)Nc2c(C)cccc2C,0,0,0,0,0,0,0
3044 CCN(CC)CCNC(=O)c1ccc(N)cc1,0,0,0,0,0,0,0
3045 Cc1ccccc1CNc2ncnc3c2ncn3C4OC(CO)C(O)C4O,,,,1,0,,1
3046 Nc1cc(N)cc(c1)C(=O)O,0,0,0,0,0,0,0
3047 CCCCCCCCCCCCCCCCCCCCCCO,0,,0,0,0,,0
3048 COc1ccc2CC3NCCC45C(Oc1c24)C(O)C=CC35,0,,0,0,0,,0
3049 Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2,,1,1,,,,1
3050 C[n+]1ccn(Cc2ccccc2)c1,,,0,0,0,0,0
3051 CCC(=O)c1ccc(O)cc1,0,0,0,0,0,0,0
3052 Cc1ccc(cc1N)[N+](=O)[O-],0,0,0,0,0,0,0
3053 OC(=O)CSCC(=O)NC1CCSC1=O,0,0,0,0,0,0,0
3054 O=C1CC2(CCCC2)CC(=O)N1CCNCC3COc4ccccc4O3,,,0,,,,0
3055 COP(=O)(OC)OC=C(Cl)Cl,0,,0,0,0,,0
3056 Clc1ccccc1C=O,0,0,0,0,0,0,0
3057 CCC=CC#N,0,0,0,0,0,0,0
3058 Cc1cc(O)ccc1Cl,0,0,0,0,0,0,0
3059 CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3,0,0,0,0,0,0,0
3060 OC(C=CC(=O)O)c1ccc(Cl)cc1,,,0,0,0,,0
3061 NCC1CCCC(CN)C1,0,0,0,0,0,0,0
3062 CCCCCCC(CCC)C(=O)O,1,0,,0,0,,1
3063 Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
3064 CC12CCC(C1)C(C)(C)C2=O,0,,0,0,0,,0
3065 CC(=O)NC(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O,,,,0,0,,0
3066 OC(=O)C(=O)O,0,0,0,0,0,0,0
3067 Nc1ccc2c3ccccc3c4cccc1c24,,1,1,1,1,1,1
3068 c1ccc(cc1)N=Nc2ccccc2,0,,0,0,0,,0
3069 CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,,1,1,0,,,1
3070 COC(=O)C1CC2=CC(=O)CCC2(C)C34OC3CC5(C)C(CCC56CCC(=O)O6)C14,1,0,,,0,0,1
3071 OC(=O)c1cccc(C(=O)O)c1C(=O)O,0,0,0,0,0,0,0
3072 NC(CO)(CO)CO,0,0,0,0,0,0,0
3073 O=C1CCCCCN1,0,,0,0,0,0,0
3074 NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1Cl,,,0,0,0,,0
3075 CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,0,0,,0,,,0
3076 O=C(OCc1ccccc1)C(=O)OCc2ccccc2,0,0,0,0,0,0,0
3077 COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C,,0,,0,0,,0
3078 CC(C)OC(=O)C(=C)C,0,0,0,0,0,0,0
3079 Nc1ccnc(O)n1,0,0,0,0,0,0,0
3080 OC(=O)Cn1c(cc2ccccc12)C(=O)Nc3nc(cs3)c4ccccc4Cl,,0,0,0,,1,1
3081 CCOC(=O)CC1(C)OCC(C)O1,0,0,0,0,0,0,0
3082 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,0,0,0,0,0,,0
3083 OS(=O)(=O)c1cccc(c1)S(=O)(=O)O,0,0,0,0,0,0,0
3084 OC(=O)c1ccc2cc(O)ccc2c1,,0,,0,0,0,0
3085 Cc1cc(ccc1N)[N+](=O)[O-],1,0,0,0,0,,1
3086 CNCCC(Oc1ccccc1C)c2ccccc2,,0,0,0,,,0
3087 CSc1ccc(Cl)cc1,0,0,0,0,0,0,0
3088 Cc1ccc(OC(=O)c2ccccc2O)cc1,0,0,0,,0,0,0
3089 CC(C)CC(C)CC(O)CC(C)C,0,0,0,0,0,0,0
3090 CC(C)(C)OC(=O)N1CC(F)CC1C(=O)O,0,0,0,0,0,0,0
3091 C[N+](C)(C)CCCCCC[N+](C)(C)C,0,0,0,0,0,0,0
3092 CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,0,,,0,0,,0
3093 CC1CCC2(NC1)OC3CC4C5CCC6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(O)C%10O)C(O)C7O,,1,,,,,1
3094 Oc1ccc(O)c2c(O)cccc12,0,0,0,0,0,0,0
3095 Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N,0,0,0,0,0,0,0
3096 CCCC=C(CC)C=O,0,0,0,0,0,0,0
3097 O=P(c1ccccc1)(c2ccccc2)c3ccccc3,0,0,0,0,,0,0
3098 Cc1ccc2oc(CN(Cc3ccccc3)C(=O)Nc4c(F)cc(F)cc4F)c(c5ccc(Cl)cc5)c2c1,,0,0,,1,0,1
3099 COCCOC(=O)c1ccccc1C(=O)OCCOC,0,0,0,0,0,0,0
3100 CC(=O)Nc1ccc(C)c(Cl)c1,0,0,,0,0,0,0
3101 Nc1nc(O)c2ncn(COC(CO)CO)c2n1,,,0,0,0,0,0
3102 CCC(Cl)CCl,0,0,0,0,,0,0
3103 CC(=O)c1cccnc1,0,0,0,0,0,,0
3104 O=C(Oc1ccccc1)Oc2ccccc2,0,0,0,0,0,0,0
3105 COC(C)(C)CC(=O)C,0,0,0,0,0,0,0
3106 CCOS(=O)(=O)OCC,0,0,0,0,0,0,0
3107 CCCCCCCCCCCCN1CCOCC1,0,0,0,0,0,0,0
3108 CCN(CC)CC,0,0,0,0,0,0,0
3109 CNC(=O)C,0,0,0,0,0,0,0
3110 NC(=O)C(Cl)Cl,0,0,0,0,0,0,0
3111 CCN(CC#N)c1cccc(C)c1,0,0,0,0,0,0,0
3112 CC(C)c1ccc(C)c2ccc(C)c2c1,0,0,0,0,0,0,0
3113 COC(=O)CCCCCCCCC=C,0,,0,0,0,,0
3114 CC(C)OC(=O)CCCCC(=O)OC(C)C,,,0,0,0,0,0
3115 CCCCNC(=S)NCCCC,,0,0,0,0,0,0
3116 O=C1NC(=O)C2CC=CCC12,0,0,0,0,0,0,0
3117 CCCCC(CC)CO[P+](=O)OCC(CC)CCCC,0,0,0,0,0,0,0
3118 C[N+](C)(C)CCCl,0,,0,0,0,0,0
3119 CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(C2O)N(C)C)C1OC,0,,0,0,0,,0
3120 Clc1ccc(c(Cl)c1)C2(Cn3cncn3)CC(Br)CO2,1,,,1,1,0,1
3121 CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,1,,0,0,0,,1
3122 CCCCCC=CCCC(=O)NC1C(O)C(O)C(CO)OC1Oc2c3Oc4ccc(CC5NC(=O)C(N)c6ccc(O)c(Oc7cc(O)cc(c7)C(NC5=O)C(=O)NC8C(=O)NC9C(=O)NC(C(OC%10OC(CO)C(O)C(O)C%10NC(=O)C)c%11ccc(Oc2cc8c3)c(Cl)c%11)C(=O)NC(C(=O)O)c%12cc(O)cc(OC%13OC(CO)C(O)C(O)C%13O)c%12c%14cc9ccc%14O)c6)cc4Cl,,,0,0,1,,1
3123 C[N+](C)(C)CCOC(=O)C=C,0,0,0,0,0,0,0
3124 FC(F)(F)COCC(F)(F)F,0,,0,0,,,0
3125 c1ccc2c(c1)ccc3c4ccccc4ccc23,0,0,0,,,0,0
3126 CCC=CCCC=CCO,0,0,0,0,0,0,0
3127 Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12,,1,,0,0,,1
3128 COP(=S)(OC)Oc1ccc(SC)c(C)c1,0,0,0,0,0,0,0
3129 CN(C)CCCN(C)CCCN(C)C,0,0,0,,0,0,0
3130 Cc1cc(C)cc(N)c1,0,0,0,0,0,0,0
3131 CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4,0,1,,0,,0,1
3132 CCCCC(=O)Cl,,0,0,0,0,0,0
3133 CC(C)Cn1cnc2c(N)nc3ccccc3c12,,,0,0,,0,0
3134 CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4c5cccnc5)C3CC=C2C1,0,1,,0,1,,1
3135 CCCCCCOCCOCCO,0,0,0,0,0,0,0
3136 OCCCC(=O)O,0,,0,0,0,,0
3137 CC1=CCC(CC=O)C1(C)C,0,0,0,0,0,0,0
3138 COC(=O)OC,0,0,0,0,0,0,0
3139 Clc1ccc(cc1)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
3140 Cc1c(N)cccc1Cl,0,0,0,0,0,0,0
3141 CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1,,,,,,1,1
3142 CN(C)C(=O)CNC(=O)Cc1ccccc1,0,0,0,0,0,0,0
3143 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCc5ccccc5,1,1,1,1,1,,1
3144 CCN(CC)c1ccc(N)cc1,,,,,,0,0
3145 O=C1CCc2ccccc2O1,0,0,0,0,0,0,0
3146 CC12CCC(O)CC1CCC3C2CC(O)C4(C)C(CCC34O)C5=CC(=O)OC5,,1,,,,,1
3147 CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1,,,0,,,,0
3148 CCSCc1ccccc1OC(=O)NC,0,0,0,0,0,0,0
3149 CC(CCC(=O)O)(c1ccc(O)cc1)c2ccc(O)cc2,0,0,0,0,0,0,0
3150 Cc1ccc(c(O)c1)C(C)(C)C,,0,0,,,0,0
3151 Cc1cccc(O)c1N,1,,0,,,,1
3152 CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C,0,,0,0,0,,0
3153 CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,0,0,0,0,0,0,0
3154 Cc1ccnc(N)c1,0,0,0,0,0,0,0
3155 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,0,0,0,0,0,0,0
3156 Cc1occc1,0,0,0,0,0,0,0
3157 COC1=CC(=O)OC(CCc2ccccc2)C1,,0,0,0,0,0,0
3158 CCCCCCCCCC(=O)NO,0,,1,1,0,,1
3159 NCCCOCCOCCOCCCN,0,0,0,0,0,0,0
3160 FC(F)(F)c1cccc(c1)N=C=O,,,,1,,,1
3161 CN(C1CCCCC1)C(=O)CCCOc2ccc3nc(O)ccc3c2,0,1,0,0,0,,1
3162 CCCCC(CC)COC(=O)c1ccc(cc1)N(C)C,0,0,0,0,,0,0
3163 COc1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0
3164 Oc1[nH]cnc2ncc(CN3CCCCC3)c12,0,,0,0,0,,0
3165 CC(CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO)OCCO,0,0,0,0,0,0,0
3166 NC(=O)c1ccccc1O,0,0,0,0,0,0,0
3167 OC(=O)CC1=NN(Cc2ccc(Br)cc2F)C(=O)c3ccccc13,0,,0,0,0,,0
3168 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2,,1,,1,0,,1
3169 O=Cc1ccccc1C=O,1,1,1,0,,1,1
3170 CCC1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C,0,,,0,0,,0
3171 C1CN=C(N1)C2COc3ccccc3O2,1,,,,,,1
3172 CS(=O)(=O)c1ccc(cc1Cl)C(CC2CCC(=O)C2)C(=O)Nc3cnccn3,0,,0,0,0,0,0
3173 OC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC6CCC6)c45,,1,0,,0,,1
3174 OC(=O)CC(=O)C(=O)O,0,0,0,0,0,0,0
3175 OC(C#CCN1CCCC1)(c2ccccc2)c3ccccc3,0,0,0,0,,0,0
3176 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)[N+](=O)[O-],0,0,0,0,0,,0
3177 CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,0,,,0,0,,0
3178 CC(C)CC(NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc4c[nH]cn4)NC(=O)C5CCC(=O)N5)C(=O)NC(CCCN=C(N)N)C(=O)N6CCCC6C(=O)NCC(=O)N,0,,0,0,0,0,0
3179 Cc1ncsc1CCO,0,0,0,0,0,0,0
3180 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1,,1,,,,1,1
3181 Cc1c(c2cccnc2)c3ccccc3n1CCCCC(=O)O,0,0,0,,0,1,1
3182 CCC1=C(O)C(=O)C=CO1,0,,0,0,0,0,0
3183 CC(C)(CCl)C(=O)Cl,0,,0,1,0,0,1
3184 CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)c3ccc(Cl)cc3,0,,0,0,1,1,1
3185 COC(=O)CC(=O)OC,0,0,0,0,0,0,0
3186 CCc1ccc(O)cc1,0,0,0,0,0,0,0
3187 ClCC(=O)CCl,1,1,1,,,1,1
3188 OC(=O)c1ccc(cc1C(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
3189 COc1ccc(NC(=O)CC(=O)C)cc1,0,0,0,0,0,0,0
3190 CN(C)C(=O)C,0,0,0,0,,0,0
3191 Cc1cc(O)c(Cl)cc1C,0,0,0,0,0,0,0
3192 CCOc1ccc(c2cccnc12)S(=O)(=O)O,0,1,0,0,0,,1
3193 Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)c2,,1,,,1,,1
3194 CN1CC(=O)N=C1N,0,0,0,0,0,0,0
3195 CC(=CCCC(=CCO)C)C,0,0,0,0,0,0,0
3196 CC(c1ccc(O)cc1)(c2ccc(O)cc2)c3ccc(O)cc3,1,1,1,,,,1
3197 CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(=CCC3N)CN)C2O)OCC1(C)O,0,0,0,0,0,0,0
3198 NC(=O)N=NC(=O)N,0,0,0,0,0,0,0
3199 CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,0,0,0,0,0,0,0
3200 CC1(C)C2CCC1(C)C(=O)C2,0,0,0,0,0,0,0
3201 COC(=O)Cc1ccccc1,0,0,0,0,0,0,0
3202 C1C=CCC2C=CCC12,,0,0,0,,0,0
3203 CCOP(=S)(CC)Sc1ccccc1,0,0,0,1,,0,1
3204 CC1CCCCC1NC(=O)Nc2ccccc2,0,,0,1,0,,1
3205 OCCN1CCN(CCS(=O)(=O)O)CC1,0,0,0,0,0,0,0
3206 CCCCCc1ccc(C)cc1O,,,,0,,,0
3207 O=NN1CCNCC1,0,0,0,0,0,0,0
3208 N#CCc1ccccc1,0,0,,0,0,0,0
3209 OCC(=C(Br)CO)Br,,0,0,0,,0,0
3210 CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)OC2CC3CN4CCc5c([nH]c6cc(OC)ccc56)C4CC3C(C2OC)C(=O)OC,1,,,0,,,1
3211 CC(N)C(=O)NC(C)P(=O)(O)O,0,,0,0,0,,0
3212 CCOc1ccc2nc(sc2c1)S(=O)(=O)N,1,1,,,0,,1
3213 CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4,,0,0,0,0,1,1
3214 Cc1cc(C)c(C(=O)O)c(C)c1,0,0,0,0,0,0,0
3215 CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3,1,,,0,,,1
3216 OC(=O)C(Cl)Cl,0,0,0,0,0,0,0
3217 CN1CCC(O)(C(C1)C(=O)c2ccc(F)cc2)c3ccc(F)cc3,,0,0,0,,0,0
3218 C=CCOC(=O)C=CC(=O)OCC=C,,0,,,,1,1
3219 CC(C)CC=C(C=O)c1ccccc1,,0,,0,0,0,0
3220 Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,0,0,0,0,0,0,0
3221 NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,0,0,0,0,0,0,0
3222 CC[N+](C)(C)Cc1ccccc1Br,0,,0,0,0,,0
3223 Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCC2,0,0,0,0,0,0,0
3224 CCC(CO)NC(=O)C1CN(C)C2Cc3cn(C)c4cccc(C2=C1)c34,,,0,0,0,0,0
3225 COC1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C,0,0,0,0,0,0,0
3226 OCS(=O)(=O)O,0,0,0,0,0,0,0
3227 C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,,,1,1,0,0,1
3228 OCS(=O)O,0,0,0,0,0,0,0
3229 OCNC(=O)CCl,0,0,,0,0,0,0
3230 ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,0,0,0,0,0,0,0
3231 CCOC(=O)c1ccccc1C(=O)OCC,0,0,0,0,0,0,0
3232 CC(=O)Nc1ccc(cc1)C(=O)O,0,0,0,0,0,0,0
3233 CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O,0,0,0,0,0,0,0
3234 C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3,0,0,0,0,0,0,0
3235 CC(Cl)(Cl)Cl,0,0,0,0,0,0,0
3236 CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1,0,,0,0,0,0,0
3237 CNC(=O)Oc1ccccc1C(=O)Nc2ccccc2,1,1,,1,1,,1
3238 FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl,1,1,,1,0,0,1
3239 SCCSCCS,0,0,0,0,0,0,0
3240 O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4,0,,0,0,0,0,0
3241 COc1cc2CCN3C(=O)N(C)C(=Nc4c(C)cc(C)cc4C)C=C3c2cc1OC,,,,,,1,1
3242 CC1(C)CC(O)CC(C)(C)N1[O],0,0,0,0,0,0,0
3243 OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,0,0,0,0,0,0,0
3244 COC(=O)c1ccccc1O,0,0,0,0,0,0,0
3245 CCOC(=O)CC(O)C(=O)OCC,0,0,0,0,0,0,0
3246 CCN(CCCc1ccccc1)CCCc2ccccc2,0,0,0,0,,0,0
3247 CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,0,0,0,0,0,0,0
3248 Oc1ccc2SC(=O)Oc2c1,,,1,0,,,1
3249 Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(O)cc4,1,1,1,1,,1,1
3250 CN1C=CC=CC1=CN=O,0,0,0,0,0,0,0
3251 CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,0,0,0,0,0,0,0
3252 CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2,,1,,,,0,1
3253 CC(=C)C(=O)NCCC[N+](C)(C)C,0,0,0,0,0,0,0
3254 CCOC(=O)COc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,0,,0,0,0,,0
3255 C1COCCN1,0,0,0,0,0,0,0
3256 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)on2,0,0,0,0,0,0,0
3257 CC(C)COCNC(=O)C=C,0,0,0,0,0,0,0
3258 COc1cc2CC(C)(O)C(C)Cc3cc4OCOc4c(OC)c3c2c(OC)c1OC,0,,0,0,0,,0
3259 CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc3ccc(F)cc3)cc1,,1,0,0,0,0,1
3260 NNC(=O)c1cccnc1,0,0,0,0,0,0,0
3261 O=NN1CCN(CC1)N=O,0,0,0,0,0,0,0
3262 Oc1ccccc1C(=O)Oc2ccccc2,0,0,0,0,0,0,0
3263 CN1CCc2cccc3c2C1Cc4ccc(O)c(O)c34,,,0,,,,0
3264 Clc1ccc2Sc3ccccc3N(C(=O)CCN4CCN5CCCC5C4)c2c1,,0,0,0,,0,0
3265 N#Cc1ccncc1,0,0,0,0,0,0,0
3266 CC(=O)OCCCCCCCCC=C,0,0,0,0,0,0,0
3267 Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
3268 O=C1CCCCC1C2CCCCC2,0,0,0,0,0,0,0
3269 OC(=O)c1cc(O)c(O)c(O)c1,0,0,0,0,0,0,0
3270 CC(=O)OO,0,,0,0,0,,0
3271 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)c5occc5)C(=O)CCl,1,,1,1,1,,1
3272 CN(C)C1CSSSC1,0,0,0,,0,0,0
3273 CC(=O)c1sc(C)nc1C,0,0,0,0,0,0,0
3274 COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)C=CC=CC=CC=CC(=O)O,0,,,,1,0,1
3275 CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,0,0,0,0,0,0,0
3276 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1,1,0,0,0,0,,1
3277 CCN(CC)C(=O)C,0,0,0,0,0,0,0
3278 CCCc1nn(C)c2c(O)nc(nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4,0,0,0,0,0,0,0
3279 CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl,0,0,0,0,0,,0
3280 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C,0,0,0,0,,,0
3281 CC(Cc1ccccc1)NCc2ccccc2Cl,0,,0,0,0,0,0
3282 Oc1c(Cl)ccc(Cl)c1Cl,0,1,0,0,0,,1
3283 Cc1cccc2nccnc12,0,0,0,,0,0,0
3284 O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c4ccccc4,0,,0,0,0,,0
3285 CCCCCCCC=O,0,0,0,0,0,0,0
3286 CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,0,1,,0,,0,1
3287 CNCc1cc(F)ccc1Oc2ccc(Cl)c(Cl)c2,,1,0,,,0,1
3288 CC(=O)OC1CC2CCC1(C)C2(C)C,0,0,0,0,0,0,0
3289 Nc1ncnc(Nc2ccc(Cl)cc2)n1,1,1,0,1,0,,1
3290 CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1,1,1,1,,,0,1
3291 CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,,1,,,,1,1
3292 CCCC(=O)C(=O)O,0,0,0,0,0,0,0
3293 CCC(C)N1C(=O)NC(=C(Br)C1=O)C,0,0,0,0,0,0,0
3294 CCCc1c2OC(=CC(=O)c2cc3C(=O)C=C(N(CC)c13)C(=O)O)C(=O)O,0,0,0,0,0,0,0
3295 NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,0,0,0,0,0,0,0
3296 BrCC=CCBr,0,0,0,0,0,0,0
3297 C1CCC2(CCCCO2)OC1,0,0,0,0,0,0,0
3298 CCCCCCCCCCCCCCBr,0,0,0,0,0,0,0
3299 [O-][N+](=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0
3300 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2C(=CC(O)CC2(C)C)C,,,1,0,,,1
3301 OCC#CCO,0,0,0,0,0,0,0
3302 Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl,0,0,0,0,,0,0
3303 CC(=O)NCCCS(=O)(=O)O,0,0,0,0,0,0,0
3304 Cc1cccc(c1C(=O)O)[N+](=O)[O-],0,0,0,0,0,0,0
3305 CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3,0,0,0,0,0,0,0
3306 Cc1ccccc1S(=O)(=O)N,0,0,0,0,0,0,0
3307 CCCCOCC1CO1,0,0,0,0,0,0,0
3308 Cc1cc(ccc1[N+](=O)[O-])C(=O)O,0,,0,0,0,0,0
3309 CCCCC1CCC(=O)O1,0,0,0,0,0,0,0
3310 COC(=O)C1(C)CCCC2(C)C3CCC(=CC3=CCC12)C(C)C,0,,,0,,0,0
3311 CC(=O)c1ccc2CCCCc2c1,0,,0,,0,0,0
3312 CCN(CC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],,1,0,,,0,1
3313 CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,,1,,,,,1
3314 CC(C)COC=C,0,0,0,0,0,0,0
3315 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,0,0,0,0
3316 [O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,1,1,1,,,0,1
3317 CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0
3318 OC(=O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1,0,0,0,0,0,0,0
3319 CN(C)C(=S)SSC(=S)N(C)C,,1,1,,1,,1
3320 COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,0,,,0,,,0
3321 NC(=S)C(=S)N,0,,0,0,0,0,0
3322 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,0,0,0,0,0,0,0
3323 Cc1ccc(N)cc1[N+](=O)[O-],0,,0,0,0,,0
3324 CCC(=O)OC1CC2CCC1(C)C2(C)C,0,0,0,0,0,0,0
3325 CC(C)C1CCC(C)CC1O,0,0,0,0,0,0,0
3326 CCC(C)O,0,0,0,0,,0,0
3327 CN(Cc1ccc2nc(C)nc(O)c2c1)c3ccc(s3)C(=O)NC(CCC(=O)O)C(=O)O,0,,0,0,1,,1
3328 ClCC(=O)C(Cl)Cl,1,1,,,,1,1
3329 CC1CCC23CCC(=O)C2C1(C)C(CC(C)(C=C)C(O)C3C)OC(=O)CO,0,,0,0,0,,0
3330 CC(=Cc1ccccc1)C=C2SC(=S)N(CC(=O)O)C2=O,,,1,,,,1
3331 CC(OC1OCCN(CC2=NC(=O)N=N2)C1C3CCC(F)CC3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F,,1,,,,,1
3332 BrCCCCCBr,0,0,0,0,0,0,0
3333 CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC,0,0,0,0,0,0,0
3334 CCCCCCCCCCCC,0,,0,0,0,0,0
3335 CCCCCCC(=O)O,0,0,0,0,0,0,0
3336 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,0,0,,0,0,0,0
3337 C1c2ccccc2c3ccccc13,0,0,0,0,,0,0
3338 COc1ccc(C=O)cc1OC,0,0,0,0,0,0,0
3339 ClC=CC[N+]12CN3CN(CN(C3)C1)C2,0,0,1,,1,,1
3340 OC1=C(O)C(=O)C1=O,0,0,0,0,0,0,0
3341 COc1ccc(O)cc1,0,0,0,0,0,,0
3342 OS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0
3343 CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC,0,0,0,0,0,,0
3344 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c3cc(Cl)c(N)cc3OC,0,1,0,0,,0,1
3345 Nc1cccc(c1)S(=O)(=O)O,0,,,0,0,0,0
3346 CCOC(=O)OCC,0,0,0,0,0,0,0
3347 OC(C(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
3348 CC(C)OC(=O)c1ccccc1C(=O)OC(C)C,0,0,0,0,0,0,0
3349 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)Cn3cc[n+]4ncccc34)c5nsc(N)n5,0,0,0,0,0,0,0
3350 COC(=O)CSc1cc(N=C2SC(=O)N3CCCCN23)c(F)cc1Cl,0,0,0,0,0,0,0
3351 CNC(=O)ON=CC(C)(C)S(=O)(=O)C,0,0,0,0,0,0,0
3352 CC(N)C(O)c1cccc(O)c1,0,0,0,0,0,0,0
3353 CC(=C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C,0,0,0,0,0,0,0
3354 CCCCCCCCC1CO1,0,0,0,0,0,0,0
3355 O=C1CCO1,,,0,0,0,,0
3356 OC(=O)c1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0
3357 C1CN=C(N1)c2ccc3ccccc3c2,0,,0,0,,,0
3358 CC(=O)OC(CC(=O)O)C[N+](C)(C)C,0,0,0,0,0,0,0
3359 C(NCc1ccccc1)c2ccccc2,0,0,0,,0,0,0
3360 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccccc2,0,0,0,0,0,0,0
3361 NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CC(O)N=C(N)N2,0,,0,0,0,,0
3362 CC(=O)OC1CCC2C3CCC4(C)C(CCC4(OC(=O)C)C#C)C3CCC2=C1,1,1,1,,,0,1
3363 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,1,1,,1,,0,1
3364 CC1CC(=O)C=C2CCC(CC12C)C(=C)C,0,0,0,1,0,,1
3365 CN1CCC(CC1)N(Cc2cccs2)c3ccccc3,0,0,0,0,,0,0
3366 O=C(OOC(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
3367 Cc1ccnc2ccccc12,0,0,0,0,0,0,0
3368 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,0,0,0,0,,0,0
3369 COc1cc2c(oc3ccccc23)cc1N,,1,,,0,0,1
3370 CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12,,0,0,1,,0,1
3371 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O,,1,,,,,1
3372 OCC1CCC(CO)CC1,0,0,0,0,0,0,0
3373 CC1=C(C=O)C(C)(C)CCC1,0,0,0,0,0,0,0
3374 CCCCC(CC)COC(=O)C=C,0,0,0,0,0,0,0
3375 CCNc1nc(NC(C)C)nc(SC)n1,0,0,0,0,0,0,0
3376 CC(=O)OC1C2OC(=O)C(OC(=O)C)C2OC1=O,0,0,,0,0,0,0
3377 CC=C1CC2CC1C=C2,0,0,0,0,0,0,0
3378 Cc1cccc(c1C)[N+](=O)[O-],0,0,0,0,0,0,0
3379 COc1ccc(cc1OC)C(=CC(=O)N2CCOCC2)c3ccc(Cl)cc3,1,,0,0,0,0,1
3380 NS(=O)(=O)Cc1noc2ccccc12,0,0,0,0,0,0,0
3381 CCC1(C(=O)NCNC1=O)c2ccccc2,0,0,0,0,0,0,0
3382 CC(=O)NCCCCCC(=O)O,0,0,0,0,0,0,0
3383 N#CCCCC(CCC#N)C#N,0,0,0,0,0,0,0
3384 CC(=O)OCC1OC(OC2(COC(=O)C)OC(COC(=O)C)C(OC(=O)C)C2OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,0,0,0,0,0,0,0
3385 CCCC(=O)OCCC(C)CCC=C(C)C,0,0,0,0,0,0,0
3386 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1,1,1,,1,0,0,1
3387 Cc1ccc2C(=O)OC(=O)c2c1,0,0,0,0,0,0,0
3388 CC(C)CC(N)C(=O)O,,0,0,0,0,0,0
3389 NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,1,1,,1,,,1
3390 CC(CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4,,0,0,0,,0,0
3391 Nc1on[n+](c1)N2CCOCC2,0,0,0,0,,0,0
3392 [O-][N+](=O)OCCNC(=O)c1cccnc1,0,0,0,0,,0,0
3393 CCCCCCCCCCCCCCCC[n+]1ccccc1,1,1,,1,1,1,1
3394 CC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1NC4C=C(CO)C(O)C(O)C4O,0,1,,0,0,0,1
3395 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3,1,,1,1,,1,1
3396 ICCc1ccccc1,,,,,0,0,0
3397 CCCCCCCCCCCCCN1CC(C)OC(C)C1,0,0,0,0,0,0,0
3398 COC1=CC(=O)CC(C)C12Oc3c(Cl)c(OC)cc(OC)c3C2=O,1,1,1,1,,1,1
3399 Fc1cccc(Cn2c(cc3cc(F)ccc23)C(=O)Nc4ccc5[nH]ccc5c4)c1,1,,,,,1,1
3400 CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O,0,,0,0,,,0
3401 NC(=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
3402 OP(=O)(O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3CCOCC3)C(F)(F)F,0,0,0,0,0,0,0
3403 CCN(CC)c1ccc(cc1)N=Nc2ccccc2,,1,,,,,1
3404 CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,,1,0,0,1
3405 CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,,,,1,,1,1
3406 Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1,,1,0,1,,0,1
3407 CC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C,0,0,0,0,,0,0
3408 Cc1ccccc1N=C(N)N=C(N)N,,0,0,0,0,0,0
3409 CCCC(=O)O,0,0,0,0,0,0,0
3410 CC(C)C(N)C(=O)O,0,,0,0,0,,0
3411 CC(CC1=CC(=CC(=O)N1O)C)CC(C)(C)C,1,1,1,,,,1
3412 Oc1ccc2ccc3cccc4ccc1c2c34,,,,1,,,1
3413 CC(=CCCC(=CCCC(=CCCC(=O)OCC=C(C)CCC=C(C)C)C)C)C,0,0,0,0,0,0,0
3414 COc1ccc(OC)c(c1)C(O)C(C)N,,,0,0,1,,1
3415 Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,0,0,0,0,,,0
3416 COc1ccc(CNCC(O)COc2ccc3nc(O)ccc3c2)cc1OC,0,,0,0,0,,0
3417 OC(=O)c1c(O)c(nc2ccccc12)c3ccccc3,,,,,,1,1
3418 CCC(=CC(=NO)C(=O)N)C(C)[N+](=O)[O-],0,,0,0,0,0,0
3419 CC(=O)O,0,0,0,0,0,0,0
3420 Fc1cccc(Cl)c1CCl,0,,0,0,0,0,0
3421 CC(O)CN(C)C,0,,0,0,0,,0
3422 CC(O)C1C2C(C)C(=C(N2C1=O)C(=O)O)SC3C[n+]4cncn4C3,1,,0,0,0,,1
3423 OC(=O)CCc1nc2ccccc2[nH]1,0,0,0,0,0,0,0
3424 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl,1,1,,1,,,1
3425 OC(C(Cc1ccccc1)NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)N4CC(O)C(O)C4,1,,,0,,,1
3426 Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1,,1,0,1,1,1,1
3427 CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,1,1,1,0,,,1
3428 CCSC(=O)N(CC(C)C)CC(C)C,0,0,0,0,0,0,0
3429 BrCC1CO1,0,0,0,0,0,0,0
3430 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-],1,,,,,1,1
3431 CCC1(Cc2ccccc2C1)c3c[nH]cn3,,0,0,0,0,0,0
3432 CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2,,0,0,0,,0,0
3433 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC,1,,0,1,,,1
3434 Oc1ccc2Cc3ccccc3c2c1,,1,1,0,,,1
3435 C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,0,0,0,0,0,,0
3436 CCCCCCCCS,,,,,,0,0
3437 COc1cc(CC=C)cc2OCOc12,0,0,0,0,,0,0
3438 CC(=CCCC(=CC=NO)C)C,0,0,,0,0,0,0
3439 CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C,0,,1,0,,,1
3440 Nc1cccnc1,0,0,0,0,0,0,0
3441 CC1=CCCC2(C)OC2C3OC(=O)C(=C)C3CC1,1,,,,,,1
3442 CC(C)OP(=O)(F)OC(C)C,0,,0,0,0,,0
3443 OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N13,0,,0,0,0,,0
3444 Cc1c(cccc1N=C=O)N=C=O,0,0,0,0,0,0,0
3445 NC#N,0,,,,,,0
3446 Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2,1,,,0,,,1
3447 COc1ccc(COC=O)cc1,0,0,0,0,0,0,0
3448 CC(C(=O)O)c1ccc2Oc3ncccc3Cc2c1,,0,0,0,0,,0
3449 COc1ccccc1N2CCN(CCCC(=O)c3ccc(F)cc3)CC2,0,,0,0,0,,0
3450 COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC,0,0,0,0,0,0,0
3451 CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,,1,0,0,0,0,1
3452 BrCC(=O)c1ccccc1,0,0,,0,0,0,0
3453 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(O)c(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,,,0,,,,0
3454 OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2,1,,0,,0,0,1
3455 CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1,,1,0,1,,0,1
3456 CCCCCCCCN1SC=CC1=O,,,1,,,,1
3457 CC1=C(CC=O)C(C)(C)CCC1,0,,0,0,0,,0
3458 ClCC(Cl)C=C,,0,0,0,0,0,0
3459 ClCc1cccnc1,0,0,0,0,0,0,0
3460 CC(=O)OCCCc1ccccc1,0,0,0,0,0,0,0
3461 CC1CCC(=O)C1=O,0,,0,0,0,0,0
3462 COC(=C1C(C(=C(C)N=C1C)C(=O)OC(C)C)c2cccc3nonc23)O,0,0,,0,1,0,1
3463 OC1=C(O)C(=O)C(=C(O)C1=O)O,0,0,0,0,0,0,0
3464 COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,0,0,,0,0,0,0
3465 NS(=O)(=O)O,0,0,0,0,0,0,0
3466 CCOC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2cccc(Cl)c2Cl)O,,1,1,,,0,1
3467 CCCC(C)(COC(=O)N)COC(=O)N,0,0,0,0,0,0,0
3468 CC(=O)OC1CN2CCC1CC2,0,,0,0,0,,0
3469 CCC(C)c1cccc(C(C)CC)c1O,,0,0,,,0,0
3470 COc1c(N2CC3CCCNC3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(=O)O,0,0,0,0,0,0,0
3471 CC1OCCC1=O,0,0,0,0,0,0,0
3472 CCCCCCCCCC(CC)c1ccc(cc1)S(=O)(=O)O,0,0,0,0,1,,1
3473 COc1cc2c(CCNC23CSC4C5C6N(C)C(Cc7cc(C)c(OC)c(O)c67)C(O)N5C(COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O,1,1,1,,,1,1
3474 c1ccc2c(c1)[nH]c3cnccc23,0,,0,0,,0,0
3475 CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2,,0,0,0,,,0
3476 CC1(C)C2CCC(=C)C1C2,0,0,0,0,0,0,0
3477 CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1,0,,0,0,,,0
3478 COC(=O)NN,,0,0,0,0,0,0
3479 CCC(C)(CCC(C)C)C(=O)OC=C,0,0,0,0,0,0,0
3480 CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC,1,1,,,,,1
3481 Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1,0,1,,,,0,1
3482 CC(=O)OCCC1CCCCC1,0,0,0,0,0,0,0
3483 COc1cc2CCC(=O)c2cc1OC,,1,,,,,1
3484 CN=C(N)NCCCC(N)C(=O)O,0,,0,0,0,,0
3485 NCCCC(N)(C(F)F)C(=O)O,0,0,0,0,0,0,0
3486 CCCCCl,0,0,0,0,0,0,0
3487 NNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)NN)cc1,0,0,0,0,0,0,0
3488 OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O,0,0,0,0,0,0,0
3489 CC1CC2=C(CCC(=O)C2)C3CCC4(C)C(CCC4(O)C#C)C13,1,1,1,0,,0,1
3490 CNNCc1ccc(cc1)C(=O)NC(C)C,0,0,0,0,0,0,0
3491 OCCN1CC(O)C(O)C(O)C1CO,0,0,0,0,0,0,0
3492 OCCCCC(O)CO,0,0,0,1,,0,1
3493 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3,,,0,0,0,,0
3494 COc1ccc(cc1N)[N+](=O)[O-],0,0,0,,0,0,0
3495 CCC(=O)C(=O)CC,,0,0,0,,0,0
3496 CN(C)c1nc(nc(n1)N(C)C)N(C)C,0,0,0,0,0,0,0
3497 CC(C)C1(C)N=C(NC1=O)c2nc3ccccc3cc2C(=O)O,0,0,0,0,0,0,0
3498 COc1cc(N)ccc1C,,0,0,0,0,1,1
3499 Fc1c(F)c(F)c(Br)c(F)c1F,0,0,0,0,0,0,0
3500 FC(F)(F)c1cccc(C(=O)NC(C2CCCCN2)c3ccccc3)c1Cl,,1,,,,,1
3501 CCN(CC)C(=O)C(C)Oc1cccc2ccccc12,1,1,0,1,,0,1
3502 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,,1,1,1,1,1,1
3503 CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C,0,0,0,0,0,0,0
3504 CCN(CC)CCNC(=O)C1C(=NC(=C1C)C=C2C(=O)Nc3ccc(F)cc23)C,1,1,,,,,1
3505 OCCN1CCN(CCC(=O)N2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,,0,,0,,0,0
3506 OS(=O)(=O)c1cccc(c1)[N+](=O)[O-],0,,0,0,0,0,0
3507 Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl,0,0,0,0,0,0,0
3508 CN(C)CCCCCCN(C)C,0,0,0,0,0,0,0
3509 C1CN(CCO1)p2(np(np(n2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7,0,,0,0,0,,0
3510 Oc1ccc(Nc2ccccc2)cc1,,1,0,0,,1,1
3511 Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl,1,1,,,1,,1
3512 CC1(C)SC(C)(C)SC(C)(C)S1,0,0,0,0,0,0,0
3513 ClC(=O)c1cccc(c1)C(=O)Cl,0,0,0,0,0,0,0
3514 COP(OC)OC,0,0,0,0,0,0,0
3515 CC=CCC=C,0,0,0,0,0,0,0
3516 NCCc1cc(O)c(O)cc1O,0,0,0,0,,0,0
3517 COc1ccc(C=O)cc1O,0,0,0,,0,0,0
3518 O=C1NOC2=C1CCNC2,0,,0,0,0,0,0
3519 Cc1nc(C)c(Cl)c(O)c1Cl,0,0,0,0,0,0,0
3520 CCCC=C,0,0,0,0,0,0,0
3521 CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,1,1,1,1,1,,1
3522 CCN1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12,0,0,0,0,0,0,0
3523 OCC(CO)(CBr)CBr,0,0,0,0,0,0,0
3524 NC1=NC(=O)N(N=C1)C2OC(CO)C(O)C2O,,,,0,0,,0
3525 NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N,0,0,0,0,0,,0
3526 OC(=O)c1cc(O)nc(O)n1,0,0,0,0,0,0,0
3527 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3cccc4CCCc34)c5csc(N)n5,,,,,0,,0
3528 [O-][N+](=O)c1ccc(C=O)cc1,1,,0,1,0,0,1
3529 CCc1ccc(Br)cc1,0,0,0,0,0,0,0
3530 C=CC1CCC=CC1,0,0,0,0,0,0,0
3531 C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,,1,,,,,1
3532 CCOC(=O)C1=NN(C(=O)C1)c2ccccc2,,,1,0,,1,1
3533 CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2,1,0,1,0,,0,1
3534 CCC1(CC)C(=O)NC=CC1=O,0,0,0,0,0,0,0
3535 CN(C)CCC=C1c2ccccc2C(C)(C)c3ccccc13,,,0,1,,,1
3536 CCc1cc(ccn1)C(=S)N,0,0,0,0,0,0,0
3537 Cc1ccc(cc1)C(C)(C)c2ccc(C)cc2,0,,0,0,0,,0
3538 CCCCCCC1CCCC(=O)O1,,0,0,0,0,1,1
3539 ClCc1ccccc1,0,0,0,0,0,0,0
3540 CCC(C)COC(=O)CC(C)C,0,0,0,0,0,0,0
3541 ClCC(=O)Cl,0,0,0,0,0,0,0
3542 OCC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1O,0,,0,0,0,,0
3543 CC1=CC(=O)N(O)C(=C1)C2CCCCC2,1,1,1,,,,1
3544 COc1cc(ccc1c2nc3ccc[nH]c3n2)S(=O)C,0,,0,0,0,,0
3545 Cc1c(N)cccc1N,0,,,0,0,0,0
3546 CCCCCCCCCCOC(=O)C,0,0,0,0,0,0,0
3547 CNCCC(Oc1ccccc1OC)c2ccccc2,0,0,0,0,,0,0
3548 CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,0,,0,0,0,,0
3549 CCCC(C)C(O)CC,0,0,0,0,0,0,0
3550 CCCCCCCCC=CCCCCCCCC(=O)OC,0,,0,0,0,0,0
3551 CCCCN1CN(C)C=C1,0,0,0,0,0,0,0
3552 CC(C)CCCCCCc1ccc(O)cc1,0,1,0,,,1,1
3553 C(C1=NCCN1)c2ccccc2,0,0,0,0,0,0,0
3554 BrCCBr,0,0,0,0,0,0,0
3555 COc1cc(C)c(C=CC(=CC=CC(=CC(=O)O)C)C)c(C)c1C,,1,,1,1,,1
3556 CN1CCc2cc(Cl)c(O)cc2C3C1CCc4ccccc34,1,,0,0,,0,1
3557 OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O,0,0,0,0,0,0,0
3558 CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCN=C(N)N,1,,,1,1,,1
3559 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23,0,0,,0,0,0,0
3560 CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12,0,0,0,0,0,0,0
3561 O=S1(=O)OCCO1,0,0,0,0,0,0,0
3562 CCOC(=O)c1cnc2cc(OCC(C)C)c(OCC(C)C)cc2c1O,0,,0,0,0,,0
3563 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,0,1,0,,0,0,1
3564 COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(=O)O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O,1,1,1,1,,1,1
3565 CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3,0,,0,0,,,0
3566 CCCCCCCCCC(=O)O,,0,0,0,0,1,1
3567 CCC=CCCOC(=O)c1ccccc1O,,0,0,0,0,0,0
3568 N(N=Nc1ccccc1)c2ccccc2,1,1,0,,0,,1
3569 CC(C)(O)C#CC(C)(C)O,0,0,0,0,0,0,0
3570 Oc1cc(cc2cc(cc(N=Nc3ccc(Nc4ccccc4)c5c(cccc35)S(=O)(=O)O)c12)S(=O)(=O)O)S(=O)(=O)O,,,0,,,,0
3571 O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4,0,0,0,0,0,0,0
3572 OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O,0,1,0,0,,,1
3573 CCC(C)(C)C1CCCCC1OC(=O)C,0,0,0,0,0,0,0
3574 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,,0,0,,,,0
3575 OC(C1CCNCC1)(c2ccccc2)c3ccccc3,0,0,0,0,,0,0
3576 OCC(COCC=C)(COCC=C)COCC=C,0,0,0,0,0,0,0
3577 COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,,1,0,1,0,0,1
3578 CCN(CC)C(=O)c1cccnc1,0,,0,0,0,,0
3579 NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5,,1,,,,,1
3580 CCN1CCN(C(=O)NC(C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O,0,0,0,0,0,0,0
3581 CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,0,,0,0,0,,0
3582 CCOP(=O)(OCC)OCC,0,0,0,0,0,0,0
3583 CC(CCc1ccc(O)cc1)NCC(O)c2ccc(O)cc2,0,,0,0,,,0
3584 CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,1,1,1,1,1,,1
3585 CCC(C(=O)NC(=O)NC(=O)C)c1ccccc1,0,0,0,0,0,0,0
3586 CC(OC(=O)C)OC(=O)C(C)c1ccc(c(F)c1)c2ccccc2,0,0,0,0,0,0,0
3587 BrCC(Br)(Br)Br,0,1,,,,,1
3588 Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,0,0,0,0,0,0,0
3589 Fc1ccc(Br)cc1,0,0,0,0,0,0,0
3590 CN(C)C(=O)C(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
3591 CC1CCC2C(C)(C)C3CC12CC(=C3C)C(=O)C,0,0,0,0,,0,0
3592 CCCCCCCCCCCC(=O)N(C)CC(=O)O,0,0,,0,0,,0
3593 OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O,0,0,0,0,0,0,0
3594 Clc1cccc(Cl)c1NC2=NCCN2,0,0,0,0,0,0,0
3595 Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)cc1,,1,0,,,0,1
3596 CN1C(CCl)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,0,0,0,0,0,0,0
3597 CN1CCC(CC1)OC(c2ccccc2)c3ccccc3,0,0,0,0,,0,0
3598 CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,0,,0,0,,,0
3599 CNCC(O)C(O)C(O)C(O)CO,0,0,0,0,0,0,0
3600 COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2,0,0,0,0,0,0,0
3601 OC(=O)CCC(=O)O,0,0,0,0,0,0,0
3602 C=CCOCC1CO1,0,0,0,0,0,0,0
3603 Nc1cc(Cl)ccc1O,1,1,0,0,,,1
3604 C1CCC(CC1)N=C=NC2CCCCC2,0,1,,1,,,1
3605 Oc1ccc(Sc2ccc(O)cc2)cc1,1,1,0,0,,1,1
3606 CC(=O)Nc1ccc(CC(=O)O)cc1,0,0,0,0,0,0,0
3607 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(COC4OC(CO)C(O)C(O)C4O)C2OC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C1O,0,0,,0,0,0,0
3608 CC(=O)Nc1ccc(OC(=O)C)cc1,0,,0,0,0,,0
3609 CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C,,0,0,0,0,0,0
3610 Nc1c(I)cc(I)c(C(=O)N(CCC(=O)O)c2ccccc2)c1I,,,,,,1,1
3611 CN(C)C1C2CC3C(=C(O)C2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4C3(C)O,0,0,0,0,0,0,0
3612 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,0,0,0,,,0,0
3613 CC(C)Oc1ccccc1O,0,0,0,0,0,0,0
3614 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,0,0,0,0,0,0,0
3615 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,0,,0,0,0,,0
3616 Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)C(=O)c3ccc(F)cc3,0,,0,0,,,0
3617 CCCC(CC)CCCCCCCN,0,0,0,0,0,0,0
3618 O=C1CCCCCCCCCCOCCCCO1,0,0,0,1,,0,1
3619 Oc1ccccc1C=O,0,0,0,0,0,0,0
3620 C#CCNC1CCc2ccccc12,0,0,0,0,0,0,0
3621 Nc1nc2ccccc2[nH]1,0,0,0,0,0,0,0
3622 CCCCOC(=O)C,0,0,0,0,0,0,0
3623 NC(=O)c1cnccn1,0,0,0,0,0,0,0
3624 NC1=NC(=O)N(C=N1)C2CC(O)C(CO)O2,0,,0,,1,0,1
3625 CCCCCc1ccc(Cl)cc1,0,0,0,0,0,0,0
3626 CCC(=O)C=CC1C(=CCCC1(C)C)C,0,0,0,0,0,0,0
3627 CC=C(Cl)Cl,0,,0,0,0,0,0
3628 CC(C)CCCC(C)CCCC(C)CCCC(=CCC1=C(C)C(=O)c2ccccc2C1=O)C,0,0,0,0,0,0,0
3629 Nc1ccccc1Nc2ccccc2,1,1,1,,,1,1
3630 CN1C(=S)CN=C(c2ccccc2)c3cc(Cl)ccc13,1,1,1,1,,0,1
3631 CC(C)OCCO,,0,0,0,0,0,0
3632 CCCCOC(=O)C(C)CC,0,0,,0,0,0,0
3633 Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1,,,0,0,1,,1
3634 CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,0,0,0,0,,0,0
3635 CC(C)N=C1C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5,0,,,0,,,0
3636 CCCSC(=O)Cl,0,0,0,0,0,0,0
3637 CC(C)OC(=C1C(C(=C(N)N=C1C)C(=O)OC2CN(C2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])O,1,1,,,,,1
3638 OS(=O)(=O)F,0,0,0,0,0,0,0
3639 Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3,0,0,0,0,0,0,0
3640 CC1=C(Cl)C(=O)Oc2cc(O)ccc12,,1,,,,,1
3641 OC1CCCCC1c2ccccc2,,0,0,0,0,0,0
3642 OC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)O,0,0,0,0,0,0,0
3643 CC1=Nc2ccccc2C(=O)N1c3ccccc3C,0,,0,0,0,,0
3644 CC(C)(N)CO,0,0,0,0,0,0,0
3645 NCC(O)c1ccc(O)c(O)c1,0,0,0,0,,0,0
3646 CC=CC=CCCCCCCCO,1,0,1,0,,,1
3647 CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3,0,0,,0,,,0
3648 CC(C)N(C(C)C)c1ccccc1,0,0,0,0,0,0,0
3649 ClCC(=O)c1ccc(Oc2ccc(cc2)C(=O)CCl)cc1,0,,0,0,,,0
3650 COC(=O)C=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(=O)O,0,,0,1,0,0,1
3651 CCCCn1cc[n+](C)c1,0,0,0,0,0,0,0
3652 CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)CC=C,1,1,1,0,,,1
3653 CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2,0,0,0,0,,,0
3654 OCC(CO)n1cnc(c2ccc(F)cc2)c1c3ccnc(Oc4ccccc4)n3,1,0,,,0,0,1
3655 Cn1c(N)nc2c3cccnc3ccc12,,0,0,,0,,0
3656 Cc1oc(C)cc1,0,0,0,0,,0,0
3657 CCCNC(C)C(=O)Nc1ccccc1C,0,0,0,0,0,0,0
3658 CC(=O)CCc1ccccc1,0,0,0,0,0,0,0
3659 CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)C)cc1,0,,0,0,0,,0
3660 C1CN2CCN1CC2,0,0,0,0,0,0,0
3661 Cc1onc(c1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NN3CCCCCC3,0,,0,0,0,,0
3662 CC(=O)OCCOCCOCCOC(=O)C,0,0,0,0,0,0,0
3663 OCC(F)(F)F,0,0,0,0,0,0,0
3664 CCC(Br)(CC)C(=O)NC(=O)N,0,0,0,0,0,0,0
3665 Oc1ccccc1C(=O)OCc2ccccc2,0,,0,0,0,0,0
3666 Cc1ccc(N)cc1C,0,0,0,0,0,0,0
3667 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,,0,1,,1
3668 Oc1ccc2cc(ccc2c1N=Nc3ccc(cc3)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
3669 CC(C)CC1NC(=S)N(CC=C)C1=O,0,,0,0,0,,0
3670 CC(Cl)(Cl)[N+](=O)[O-],0,0,0,0,0,0,0
3671 CCNc1nc(NC(C)C(C)C)nc(SC)n1,0,0,0,0,0,0,0
3672 C1CCc2c(C1)cccc2NC3=NCCN3,0,,0,0,,,0
3673 CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O,0,0,0,0,0,,0
3674 CCOc1ccc2NC(C)(C)C=C(C)c2c1,,,0,0,0,1,1
3675 CC1CCC(C(O)C1)C(=C)C,0,0,0,0,0,0,0
3676 NC(=O)CF,0,0,0,0,0,0,0
3677 Clc1ccc(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0
3678 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)O)C2CC1,,,0,0,0,1,1
3679 COC(=O)Nc1ccc(Cl)c(Cl)c1,1,,,0,,,1
3680 COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,,1,1,1,1,,1
3681 OC(=O)c1cc(O)c2C3=Nc4ccccc4OC3=CC(=O)c2n1,0,,,0,0,,0
3682 COC12CCC3(CC1C(C)(O)C(C)(C)C)C4Cc5ccc(O)c6OC2C3(CCN4CC7CC7)c56,,1,,,,,1
3683 OC(=O)c1ccccc1O,0,0,0,0,0,0,0
3684 CCN1CCOCC1,0,0,0,0,0,0,0
3685 CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2,0,0,0,0,0,0,0
3686 CCCCCCCCS(=O)(=O)Cl,0,0,0,0,0,,0
3687 OCN1C(=O)CCC1=O,0,,0,0,0,,0
3688 NC(=O)C(Br)(Br)C#N,,,0,,,0,0
3689 CN(C)CCOC(c1ccccc1)c2ccccc2,0,0,0,0,,0,0
3690 CCCCCCCC(=O)OC,0,0,0,0,0,0,0
3691 CC(C)CC(C)(O)C#C,,0,,0,0,0,0
3692 ClCC(Cl)Cl,0,0,0,0,0,0,0
3693 C[N+](=O)[O-],0,0,0,0,0,0,0
3694 CN(C)CCOc1ccccc1Cc2ccccc2,0,0,0,0,,0,0
3695 CC(C(=O)OCC(=O)N(C)C)c1ccc2Oc3nc(C)ccc3Cc2c1,1,,0,1,0,0,1
3696 CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13,1,,1,1,1,1,1
3697 CCC(=O)Oc1ccc(cc1)C(=C(CC)c2ccc(OC(=O)CC)cc2)CC,0,1,1,,,1,1
3698 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSC(=O)c3occc3)c4csc(N)n4,0,,0,0,0,,0
3699 O=C1C(=O)c2ncccc2c3cccnc13,1,1,,1,1,,1
3700 CCC(C)CCCC(C)(C)O,0,0,0,0,0,,0
3701 CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C,0,0,0,0,0,0,0
3702 Cc1ccc2NCCCc2c1,0,,0,0,0,0,0
3703 CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O,0,0,0,0,,0,0
3704 Oc1ccc(Cl)cc1C2CCCC2,0,,0,1,,0,1
3705 c1ccncc1,0,0,0,0,0,0,0
3706 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)CCC(=O)OCCO)c(C)c(C)c2O1,1,1,,0,,,1
3707 CCOC(=O)N1C=CN(C)C1=S,0,0,0,0,0,0,0
3708 CN1C(=O)N(C)c2ncn(CCOC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2C1=O,1,1,0,0,0,,1
3709 Cc1oc(cc1)C(=O)O,0,0,0,0,0,0,0
3710 CC(C)(O)c1ccc(cc1)C(C)(C)O,0,0,0,0,,0,0
3711 Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,,0,,0,0,0,0
3712 O=C1CC(=O)NC(=O)N1,0,0,0,0,0,0,0
3713 COC(C)(C)C,0,,0,0,0,0,0
3714 CCCC[N+]1(C)CCCC1,0,0,0,0,0,0,0
3715 COCCC#N,0,0,0,0,0,0,0
3716 BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr,1,1,1,,,1,1
3717 CC(C)c1cc(c(C)cc1OI)c2cc(C(C)C)c(OI)cc2C,0,0,0,0,,0,0
3718 CCC(O)OCCCOC,0,0,0,0,0,0,0
3719 Nc1ccccc1Cl,,0,0,0,0,0,0
3720 CCOP(=O)(OCC)OP(=O)(OCC)OCC,0,0,0,0,0,,0
3721 Fc1ccccc1C2=NC(NC(=O)c3cc4ccccc4[nH]3)C(=O)N5CCc6cccc2c56,1,1,,0,1,0,1
3722 Nc1ccc(Cl)cc1N,1,,0,,,0,1
3723 ClC(=C)Cl,0,0,0,0,0,0,0
3724 CC(CCO)CC(C)(C)C,0,0,0,0,0,0,0
3725 CC(C[N+](C)(C)C)OC(=O)N,0,0,0,0,0,0,0
3726 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2,0,0,0,0,,0,0
3727 CN1CCN(CC1)C2=Nc3ccccc3Nc4sc(C)cc24,0,0,0,0,,0,0
3728 CC(C)COP(=O)(OCC(C)C)OCC(C)C,0,0,0,,0,0,0
3729 CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1,,,,1,,,1
3730 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(O)C8(CC)C=CCN9CCC67C89)C(=O)N)C1,1,1,1,0,,,1
3731 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,0,0,0,0,0,0,0
3732 Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCCCC2,0,0,0,0,0,,0
3733 CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,0,0,0,0,0,0,0
3734 Cc1nc2ccccc2s1,0,0,0,0,0,0,0
3735 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,1,1,1,,1,1,1
3736 CNC(=O)NC(O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
3737 NC(C(O)c1ccc(O)c(O)c1)C(=O)O,0,0,0,0,,0,0
3738 CC(C)c1cccc(c1)C(C)C,0,0,0,0,0,0,0
3739 CCCOC(=O)CCCCC(=O)OCCC,0,0,0,0,0,0,0
3740 Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1,,,,0,0,,0
3741 Brc1ccccc1,0,0,0,0,0,0,0
3742 CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C,1,,1,,0,,1
3743 OCCN1CCCC1=O,0,0,0,0,0,0,0
3744 CCOc1cccc(N)c1,0,0,0,0,0,0,0
3745 Nc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0
3746 C=COCC1CCC(COC=C)CC1,0,0,0,0,0,0,0
3747 CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12,,0,0,1,1,,1
3748 CCC(=O)OC1C(CC2C3CCC4CC(OC(=O)C)C(CC4(C)C3CCC12C)N5CCCCC5)N6CCCCC6,0,,0,0,0,,0
3749 O=C1CCCCCCCCCCCCCCO1,0,0,0,0,0,0,0
3750 CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,,1,,0,,0,1
3751 CCN(C)C(=O)Oc1cccc(c1)C(C)N(C)C,0,0,0,0,0,0,0
3752 CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1,,,0,0,,,0
3753 NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)c3nccc4sccc34)c5ccc(F)cc15,1,1,0,0,,0,1
3754 OC(CCl)CCl,0,0,0,0,0,0,0
3755 OS(=O)(=O)c1cc(c2nc(ccc2c1)C3C(=O)c4ccccc4C3=O)S(=O)(=O)O,0,0,0,0,0,0,0
3756 CC(N)CN,0,0,0,,0,0,0
3757 CC(CN(C)C)CN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,1,,,,,,1
3758 COc1cccc(Br)c1,0,0,0,0,0,0,0
3759 CN(C)CCC=C1c2ccccc2COc3ccccc13,0,0,0,0,,0,0
3760 O=C(CCN1CCC(C1)c2ccccc2)c3ccc4OCCOc4c3,,0,1,,,,1
3761 OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,,1,1,1,1,1,1
3762 COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC,0,0,0,0,0,0,0
3763 O=C1OC(=O)c2cc3C(=O)OC(=O)c3cc12,0,0,0,0,0,0,0
3764 CC(C)(O)CCCC1=CCC(CC1)C=O,0,0,0,0,,0,0
3765 CCCCOC(=O)C=CC(=O)OCCCC,0,0,,1,1,1,1
3766 COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0
3767 NC(=N)NN=C(C=Cc1oc(cc1)[N+](=O)[O-])C=Cc2oc(cc2)[N+](=O)[O-],1,1,1,,,1,1
3768 CCCCCCCCN1CCCC1=O,0,0,0,0,0,0,0
3769 Clc1ccc(c(Cl)c1)C(Cl)(Cl)Cl,0,0,0,,0,0,0
3770 COS(=O)(=O)O,0,,0,0,0,0,0
3771 Nc1nc2ccc(cc2s1)[N+](=O)[O-],1,0,,0,,0,1
3772 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,0,,0,0,0,,0
3773 CC(C)OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC(C)C,,0,0,,,0,0
3774 CC(Cc1ccc(cc1)C(C)(C)C)C=O,0,0,0,,,0,0
3775 Clc1ccc2ccccc2c1,0,0,0,0,0,0,0
3776 CC(C)c1ccc(O)c(c1)C(C)C,,1,,,,0,1
3777 S(Sc1cccs1)c2cccs2,,0,,,,,0
3778 CN(C)CCOc1ccc(cc1)C(=C(CCCl)c2ccccc2)c3ccccc3,,1,,1,,,1
3779 NNC(=O)CCCCC(=O)NN,0,0,0,0,0,0,0
3780 CCC(=O)C1CC(CC=C1C)C(C)C,0,0,0,0,0,0,0
3781 CN(C)C(=O)Oc1cc(C)n(n1)C(=O)N(C)C,0,0,0,0,0,0,0
3782 NC(=O)c1ccc[n+](c1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,0,,0,,0,,0
3783 CC(OCCC(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C,,,,0,1,,1
3784 CC(N)C(=O)Nc1c(C)cccc1C,0,0,0,0,0,0,0
3785 OBr(=O)=O,0,0,0,0,0,0,0
3786 CC(C(=O)O)c1ccc(s1)C(=O)c2ccccc2,1,1,0,1,,0,1
3787 Cc1cccc(C)c1N,0,0,0,0,0,0,0
3788 CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C,0,0,0,,0,0,0
3789 Clc1cccc(Cl)c1Cl,0,0,0,0,0,0,0
3790 CC(C)C(Br)C(=O)NC(=O)N,0,0,,0,0,0,0
3791 CCCCCCCCC(=O)OCC,0,0,0,0,0,0,0
3792 CCCCCCOc1cc(C)c(O)c(C)c1C,1,1,,,,,1
3793 ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,0,0,,,,0,0
3794 O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4,0,0,0,0,0,0,0
3795 NC1CN(CC12CC2)c3c(F)cc4C(=O)C(=CN(C5CC5F)c4c3Cl)C(=O)O,0,,0,,0,,0
3796 COC(OC)C(C)c1ccccc1,0,0,0,0,0,0,0
3797 ClC(Cl)(Cl)C#N,0,0,,0,0,0,0
3798 COC(=O)N(C(=O)N1COC2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c4ccc(OC(F)(F)F)cc4,1,1,,1,,,1
3799 CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc(cc3)S(=O)C,0,0,0,0,0,0,0
3800 CCCC[N+](=O)[O-],0,0,0,0,0,0,0
3801 NCCCCCCN,0,0,0,0,0,0,0
3802 Clc1ccc2CCc3ccccc3N(CCCN4CCC5(CC4)N6CCCCC6NC5=O)c2c1,,1,,,,,1
3803 COc1cccc2OCC3CN(CCCCN4C(=O)Nc5c(sc6ncc(nc56)c7ccccc7)C4=O)CC3c12,,,,,,1,1
3804 NC(=N)c1ccc(C=Cc2ccc(cc2O)C(=N)N)cc1,0,,,0,0,,0
3805 CC1=CC(=O)NS(=O)(=O)O1,0,0,0,0,0,0,0
3806 CC(C)(O)C1C2OC(=O)C1C3(O)CC4OC45C(=O)OC2C35C,0,,0,0,0,,0
3807 CCC(C(=O)OCCN(CC)CC)c1ccccc1,0,0,0,0,0,0,0
3808 COC1CC(OC2C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)CC4(CO4)C(=O)C(C)C(O)C(C)C(C)OC(=O)C2C)OC(C)C1O,0,,0,0,0,,0
3809 COC(=O)c1ccc(C)cc1,0,0,0,0,0,0,0
3810 OCCOc1ccccc1,0,0,0,0,0,0,0
3811 CCOCCOCCOCCO,0,0,0,0,0,0,0
3812 OC(=O)CCC=C,0,0,0,0,0,0,0
3813 CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,,1,,1,1,1,1
3814 Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,,0,0
3815 CC(C(=O)O)C12CCC3(C)C1CC(=O)C(C)C3C2=O,0,,0,0,,,0
3816 CC(=O)c1ccc2ccc3ccccc3c2c1,1,,1,1,0,0,1
3817 CC#N,0,0,0,0,0,0,0
3818 C(CN1CCOCC1)OCCN2CCOCC2,0,0,0,0,0,0,0
3819 CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc4ccc(cc4)c5ccccc5c6nn[nH]n6,,1,,,,1,1
3820 C=CCN(CC=C)CC=C,0,0,0,0,0,0,0
3821 Nc1cc(Cl)c(cc1O)[N+](=O)[O-],,0,0,,,1,1
3822 Oc1nc2ccccc2n1C3CCN(CCCC(c4ccc(F)cc4)c5ccc(F)cc5)CC3,1,1,,0,,,1
3823 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSC3=NC(=O)C(=O)NN3C)c4csc(N)n4,0,0,0,0,0,0,0
3824 CN(C)CCC(O)(c1ccccc1)c2ccccc2Cl,0,,0,0,,,0
3825 CCOC(=O)COc1ccc(Cl)cc1Cl,0,0,,0,0,0,0
3826 Cc1cc(Cl)ccc1O,0,0,0,0,0,0,0
3827 CCCCCCCCC(=O)OCC=C,0,0,0,0,0,0,0
3828 O=Cc1cccc(Oc2ccccc2)c1,0,0,0,0,0,0,0
3829 CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4,0,0,0,0,0,0,0
3830 CCOP(=S)(OCC)SCSc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0
3831 OC(=O)C=Cc1ccc(Cn2ccnc2)cc1,0,0,0,0,0,0,0
3832 ClCC=CCCl,0,0,0,0,0,0,0
3833 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0,0,0,0,,0
3834 Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45,1,,1,,,0,1
3835 COc1ccc(cc1)C(O)(C2CC2)c3cncnc3,0,0,0,0,0,0,0
3836 CCCCCCCCCCCCO,0,0,0,0,0,0,0
3837 CC1=C(Cl)C(=O)Oc2cc(OP(=O)(OCCCl)OCCCl)ccc12,,0,0,0,0,0,0
3838 CCc1ccc2C(=O)c3ccccc3C(=O)c2c1,1,1,,1,,0,1
3839 ClP(=O)(Cl)c1ccccc1,0,0,0,,0,0,0
3840 CC1CC2C(CCC3(C)C2CCC3(O)C(=O)C)C4(C)CCC(=O)C=C14,1,1,1,1,,,1
3841 CC(C)(C)C(=O)CCc1ccc(Cl)cc1,0,0,0,0,0,,0
3842 CC(C)c1ccccc1,0,0,0,,0,0,0
3843 CC1(C)OC2CC(=O)OCC23C4CCC5(C)C(OC(=O)C6OC56C4(C)C(=O)CC13)c7cocc7,1,,1,1,0,0,1
3844 C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,0,0,0,0,0,0,0
3845 CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23,0,0,0,0,0,0,0
3846 CCCCOC(=O)C(=C)C,,0,0,,0,0,0
3847 OC(=O)c1cc(Cl)cc(Cl)c1,,0,,0,0,0,0
3848 CC(=C)C=C,,,,,0,0,0
3849 CCCCNC(C)(C)[P+](=O)O,0,,0,0,0,,0
3850 NC(=N)Nc1nc(CSCCC(=N)NS(=O)(=O)N)cs1,0,0,0,0,0,0,0
3851 CC(=O)C(C)(C)C,0,0,0,0,0,0,0
3852 COC(=O)C(C)N(C(=O)c1occc1)c2c(C)cccc2C,0,,0,0,0,0,0
3853 OC(=O)C1C2CCC(O2)C1C(=O)O,1,1,,0,,0,1
3854 COC(=O)C=C,0,0,0,0,0,0,0
3855 COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(oc3C)c4ccccc4)cc2)cc1,,1,,,,,1
3856 CC(C)n1nc(c2cc3cc(O)ccc3[nH]2)c4c(N)ncnc14,,1,,,,,1
3857 NC1=NC(=O)C(O1)c2ccccc2,0,0,,0,,0,0
3858 CC(CCc1ccc2OCOc2c1)NN,0,0,0,0,0,0,0
3859 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0,0,0,0,0,0,0
3860 Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,0,0,0,0,0,0,0
3861 CCC(=O)C=C,0,0,0,0,0,0,0
3862 COc1ccccc1N2CCN(CCCNC3=CC(=O)N(C)C(=O)N3C)CC2,0,0,0,0,0,0,0
3863 CCCCc1ccc(nc1)C(=O)O,0,,0,0,0,,0
3864 Nc1cc(ccc1O)S(=O)(=O)O,0,0,0,0,0,0,0
3865 OC1CCCC1,0,0,0,0,0,0,0
3866 CCCCCCCCCC(=O)C,0,0,0,0,0,0,0
3867 CS(=O)(=O)OCC(O)C(O)COS(=O)(=O)C,0,,0,0,0,,0
3868 Cc1onc(N)c1,0,0,0,0,0,0,0
3869 CCSC(=O)N1CCCCCC1,0,0,0,0,0,0,0
3870 CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)c2cccc3CC(C)CNc23,0,0,0,0,0,0,0
3871 CCOC(=O)C(Cl)Cc1cc(N2N=C(C)N(C(F)F)C2=O)c(F)cc1Cl,1,0,,1,0,0,1
3872 CN1C(Cc2cc(N=NC(=O)N)c(O)cc12)S(=O)(=O)O,0,,0,0,0,,0
3873 COC1=CC(=O)OC(C1)C=Cc2ccc3OCOc3c2,,,0,,1,0,1
3874 ClCC=CCl,0,0,0,0,0,0,0
3875 COc1c(Cl)ccc(Cl)c1C(=O)O,0,0,0,0,0,0,0
3876 CCOc1ccc(NC(=O)OC(C)C)cc1OCC,0,0,0,0,0,0,0
3877 CC(=C)C(=O)OCCOc1ccccc1,0,,0,,0,0,0
3878 NC(=N)NS(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0
3879 CN(C)CCS,0,,0,0,0,,0
3880 CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO,1,0,1,1,,0,1
3881 CCCCN(CCCC)C(=S)S,0,0,0,0,0,0,0
3882 CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(=O)O,0,0,0,0,0,0,0
3883 Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,,1,,,,,1
3884 CC12C3CCC(O3)C1(C)C(=O)OC2=O,1,1,,,,1,1
3885 CC1OC(C)C(=N1)C,,,,,,1,1
3886 CC(C(O)c1ccccc1)N(C)C,0,,0,0,0,,0
3887 CCCCC=CCCCCCCCCCC=O,0,0,0,0,0,0,0
3888 OC(=O)CC(O)(CC(=O)O)C(=O)O,0,0,0,0,0,0,0
3889 CCCCN(CCCC)CCCCCCN(CCCC)CCCC,0,0,0,0,0,0,0
3890 Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,,0,0,0,0
3891 N#CCCSCCC#N,0,0,0,0,0,0,0
3892 CC(C)CCC(=O)C,0,0,0,0,0,0,0
3893 CC(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,,1,0,,,,1
3894 CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2OC(C)C(O)C2O,0,0,0,0,0,0,0
3895 CCN(CC)c1cc(C)nc2ncnn12,0,0,0,0,0,0,0
3896 CCC(=C(c1ccc(O)cc1)c2ccc(OCCN(C)C)cc2)c3ccccc3,,1,,1,,,1
3897 Cc1cccc(C=C)c1,0,0,0,0,0,0,0
3898 Brc1cc(Br)c(OCC=C)c(Br)c1,0,0,0,0,0,,0
3899 COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)O,0,0,0,0,0,0,0
3900 CN1C(=O)N(Cc2occc2)c3[nH]c(C)nc3C1=O,0,,,1,0,0,1
3901 CCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(=O)CC12C)C(=O)CCl,1,,1,1,1,0,1
3902 OCc1ccccc1O,0,,0,0,0,0,0
3903 O=NN1CCCC1,0,0,0,0,0,0,0
3904 CCCCCC(=O)C=C,0,0,0,0,0,0,0
3905 Nc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
3906 ClCC(Cl)(Cl)Cl,0,0,0,0,0,0,0
3907 CC1(C)N(Br)C(=O)N(Br)C1=O,0,0,0,0,0,0,0
3908 CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O,1,,,,,,1
3909 CCC(=O)OCC=Cc1ccccc1,0,0,0,0,0,0,0
3910 CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
3911 CCC(N)(CO)CO,0,0,0,0,0,0,0
3912 CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1,,0,0,0,1,,1
3913 ClCCC#N,0,0,0,0,0,0,0
3914 NCCCC(O)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,0
3915 CC1(C)CC1C(=O)NC(=CCCCCSCC(N)C(=O)O)C(=O)O,0,,0,0,0,,0
3916 CC(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1,1,0,1,0,,1,1
3917 OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O,0,0,0,0,0,0,0
3918 COc1ccc(C)cc1[N+](=O)[O-],0,0,0,0,0,0,0
3919 CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,0,,0,0,0,,0
3920 CN(C)C,0,0,0,0,0,0,0
3921 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C,0,,0,0,0,,0
3922 NCC(O)CC(=O)O,0,,0,0,0,,0
3923 COc1ccc2CC3C4CCC(=O)C5Oc1c2C45CCN3C,0,,0,0,0,,0
3924 Oc1ccc(C(=O)c2ccccc2)c(O)c1O,0,1,0,,,1,1
3925 CCCCCCC=O,0,0,0,0,0,0,0
3926 CC1(C)CCC(CC1)NC(=O)C(N)CCC(=O)O,0,,0,0,0,,0
3927 Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4,1,1,1,1,,1,1
3928 NC(=C(N)C#N)C#N,0,0,,0,0,0,0
3929 CCCCN(CCO)CCO,0,0,0,0,0,0,0
3930 CCC(C)(C)C1CCC(=O)CC1,0,0,0,0,0,0,0
3931 CNCCS(=O)(=O)O,0,0,0,0,0,0,0
3932 CN(C)C(=O)Nc1ccc(C)c(NC(=O)N(C)C)c1,0,0,0,0,0,0,0
3933 Fc1cc2OCC(=O)N(CC#C)c2cc1N3C(=O)C4=C(CCCC4)C3=O,,0,0,0,0,1,1
3934 CC(C)(C)NCCNC(C)(C)C,0,0,0,0,0,0,0
3935 O=C(Nc1ccccc1)Nc2cnns2,,1,,,1,0,1
3936 [O-][N+](=O)c1ccccc1c2ccccc2,0,0,0,0,0,0,0
3937 NCC1(CC(=O)O)CCCCC1,0,0,0,0,0,0,0
3938 CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4ccccc34,0,0,0,0,0,0,0
3939 CC(=O)NC1CCSC1=O,0,0,0,0,0,0,0
3940 COc1ccc(cc1)N=[N+]([O-])c2ccc(OC)cc2,1,1,,,1,0,1
3941 CC(C)CC(=O)OCC=C,0,0,0,0,0,0,0
3942 COC(=O)c1c(C)cc(O)c(C)c1O,,,0,0,,0,0
3943 S=C(Nc1ccccc1)Nc2ccccc2,,1,0,0,0,,1
3944 NC(=O)Nc1ccc(Cl)cc1,0,0,0,0,0,0,0
3945 CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)CC,0,0,0,0,0,0,0
3946 CCC1(C(=O)N(COC)C(=O)N(COC)C1=O)c2ccccc2,0,0,0,0,,0,0
3947 CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C,0,0,0,,0,0,0
3948 COC1(NC(=O)Cc2cccs2)C3SCC(=C(N3C1=O)C(=O)O)COC(=O)N,0,0,0,0,0,0,0
3949 CCCCCCCCCCCCSC,0,0,0,0,0,0,0
3950 [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1,0,,0,0,0,0,0
3951 Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1,0,1,0,,0,0,1
3952 CC[N+](C)(C)c1cccc(O)c1,0,0,0,0,0,0,0
3953 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,1,,1,0,,,1
3954 CCCCCCCCCCCCCCCCCCn1cc[n+](C)c1,1,1,,1,,1,1
3955 CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,1,1,1,1,,,1
3956 Oc1cccc2Cc3cccc(O)c3C(=O)c12,0,0,0,0,0,0,0
3957 CCCCOc1ccc(OCCCN2CCOCC2)cc1,0,0,0,,1,0,1
3958 NCCNCCO,0,,0,0,0,0,0
3959 Oc1ccc(OCc2ccccc2)cc1,1,1,,1,,1,1
3960 CCOC(=O)C=CC(=O)OCC,0,0,0,0,0,0,0
3961 CCCCCCC(=O)OCC,0,0,0,0,,0,0
3962 CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC=O)CC(C)C(=O)C=CC3(C)OC3C1C,1,1,1,,,,1
3963 Nc1cc(O)nc(N)n1,0,0,0,0,0,0,0
3964 Oc1ccc(cc1)N=Nc2ccccc2,1,1,,1,,1,1
3965 COC(=O)c1cccnc1,0,0,0,0,0,0,0
3966 COCCOc1cc2cc(C(=O)NC3CCN(CC3)C(C)C)n(CC(=O)Nc4ccc(Cl)cn4)c2cn1,0,1,0,0,,0,1
3967 Oc1ccc(cc1)C(=O)c2ccc(O)cc2,,1,0,1,,0,1
3968 CCCN1CCCC2Cc3nc(N)ncc3CC12,0,0,0,0,0,0,0
3969 OC(=O)c1ccc(NC(=O)c2ccccc2)cc1O,0,0,0,0,0,0,0
3970 O=C1OC(=O)C2C3CC(C=C3)C12,0,0,0,0,0,0,0
3971 NC1=C(Cl)C(=O)N(N=C1)c2ccccc2,0,0,0,0,0,0,0
3972 CCC(Cc1ccccc1)(N(C)C)C(=O)c2ccc(cc2)N3CCOCC3,,1,,0,,0,1
3973 [O-][N+](=O)c1cnc(NC(=O)c2cccs2)s1,1,,,1,,,1
3974 CN(CC=Cc1ccccc1)Cc2cccc3ccccc23,0,0,0,0,,0,0
3975 CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C,0,,0,0,0,,0
3976 CCCCC(CC)COC(=O)C(=C)C,0,0,0,0,0,0,0
3977 NCC=CC(=O)O,0,0,0,0,,0,0
3978 CC1(C)N(CO)C(=O)NC1=O,0,0,0,0,0,0,0
3979 Nc1cccc(N)c1,0,0,0,0,0,0,0
3980 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,,,0,0,0,0,0
3981 NC1=NC(=O)N(C=N1)C2OC(CO)C(O)C2O,1,,1,,,,1
3982 FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C23F,0,0,0,0,0,0,0
3983 CC(=O)Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(=O)(=O)O)S(=O)(=O)O,,,0,,,,0
3984 COc1cc2c(ncnc2cc1OCCCN3CCCCC3)N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5,,,1,1,,0,1
3985 CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(CCCC(=O)O)cccc3C12,1,1,,0,0,,1
3986 Oc1ccccc1CC=C,0,0,0,0,0,0,0
3987 Cc1cc(CCN2CCN(CC2)c3nsc4ccccc34)cc5c1NC(=O)CC5(C)C,1,,,,,,1
3988 CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,1,1,,,,,1
3989 CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3,1,1,,,,1,1
3990 CC(C)CCCC(C)NC(C)C,0,,0,0,0,,0
3991 ClC(Cl)C(=O)N1CCOC12CCCCC2,0,0,0,0,,0,0
3992 CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c2cc(Br)c(OCC(Br)CBr)c(Br)c2,0,0,0,0,0,0,0
3993 NCCN,0,,0,0,0,0,0
3994 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c2ccccc2,0,0,0,0,,0,0
3995 Clc1ccc2c(c1)C(=NCc3nncn23)c4ccccc4,0,,0,0,0,,0
3996 NNc1nc(cs1)c2ccccc2,,,1,,,1,1
3997 COC(=O)c1c(CC(C)C)c(C2=NCCS2)c(nc1C(F)F)C(F)(F)F,1,0,0,0,,0,1
3998 NNc1nnc(NN)c2ccccc12,0,0,0,0,0,0,0
3999 Nc1cc(Cl)c(N)c(Cl)c1,,,0,,0,0,0
4000 CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc3ccccc3C#N,,,0,,,,0
4001 COc1cccc(C=O)c1,0,0,0,0,0,0,0
4002 CC1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,1,1,1,1,,,1
4003 COCc1c(nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1c2ccc(F)cc2)C(C)C,1,1,,1,1,,1
4004 Nc1nc(O)c2N(CC=C)C(=O)N(C3OC(CO)C(O)C3O)c2n1,0,0,0,0,0,0,0
4005 CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3,,1,0,1,0,0,1
4006 Clc1cccc(Cl)c1N(CC=C)C2=NCCN2,0,,0,0,0,,0
4007 OC(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0
4008 CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,,0,0,0,0,0,0
4009 CC(C)NCC(O)COc1ccccc1CC=C,0,0,0,0,,0,0
4010 Cc1cc(O)c(cc1C(C)(C)C)C(C)(C)C,,1,,,,,1
4011 ClC1=C(Cl)C(=O)c2ccccc2C1=O,1,1,,1,1,,1
4012 CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c2ccccc2)c3ccccc3,,1,,1,,,1
4013 CC(=C)c1cccc(c1)C(C)(C)N=C=O,0,0,0,0,0,0,0
4014 ONC(=O)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2,0,0,0,0,0,0,0
4015 CC1CN1,0,0,0,0,0,0,0
4016 CC(C)(C)c1ccc(O)c(c1)C(C)(C)C,,1,,,,0,1
4017 CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O,0,,0,0,,,0
4018 NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23,0,0,0,0,0,0,0
4019 CC(C)CC(C)CC(C)C=C(C)C1CC(=O)OC1=O,,,,0,,0,0
4020 CCOc1cc(OCC)c(cc1OCC)C(=O)CCC(=O)O,,,0,0,0,,0
4021 COc1nc(N)nc2c1ncn2C3OC(CO)C(O)C3O,0,0,0,,,0,0
4022 CCCCOC(=O)CCC(=O)OCCCC,0,0,0,0,0,0,0
4023 CCCCCCCCCCCCS,0,0,0,0,0,0,0
4024 CC1N=C(N)OC1c2ccccc2,0,0,0,,0,0,0
4025 CCCCCCCCC=CCCCCCCCCN,0,0,0,0,0,,0
4026 CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,0,0,0,0,0,0
4027 COc1cc(C=CC)ccc1O,0,0,0,0,0,0,0
4028 Clc1cccc(SC2CCNCC2)n1,,,0,0,0,0,0
4029 NNC(=O)c1ccncc1,0,0,0,0,0,0,0
4030 CC1(C)COP(Oc2ccccc2)OC1,0,0,0,,1,0,1
4031 NC(=N)N=C(N)N1CCOCC1,0,0,0,0,0,0,0
4032 CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c1I,0,,0,0,0,,0
4033 C1CCNCC1,0,,0,0,0,0,0
4034 COC(=O)c1ccccc1C(=O)O,0,0,0,0,0,0,0
4035 CC(=C)C(=O)OC1CC2CCC1(C)C2(C)C,0,0,0,0,0,0,0
4036 OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC8C(O)C(O)C(OC8CO)OC1C(O)C2O,0,0,0,0,0,0,0
4037 OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0
4038 COc1ccc(C)cc1N,0,0,0,0,0,0,0
4039 CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,0,0,0,0,0,0,0
4040 OC(=O)c1ccccc1OC(=O)c2ccccc2O,0,0,0,0,0,0,0
4041 CC12CCC3C(CC(=C)C4=CC(=O)C=CC34C)C1CCC2=O,1,1,,1,,0,1
4042 CC(=CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)C,1,1,1,1,,1,1
4043 Cc1ncc([N+](=O)[O-])n1C,0,0,0,0,0,0,0
4044 ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,,0,0,0,0,,0
4045 CCOc1ccc(OCC)c(Cl)c1,0,0,0,0,0,0,0
4046 CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C,,0,0,0,0,0,0
4047 CCC=CCCCCCO,0,0,0,0,0,0,0
4048 CC1(C)SC2C(NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2C1C(=O)O,0,0,0,0,0,0,0
4049 COc1ccc(cc1)C(=O)C(=CC(=O)O)Br,1,1,,,,1,1
4050 CC=CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O,,,0,0,,,0
4051 Cc1cnc(c[n+]1[O-])C(=O)O,0,,0,0,0,,0
4052 CCCCCCCCOC(=O)C=C,0,0,0,0,0,0,0
4053 CC(CNC(=O)CCC1(C)C(CC(=O)N)C2NC1=C(C)C3=NC(=CC4=NC(=C(C)C5=NC2(C)C(C)(CC(=O)N)C5CCC(=O)N)C(C)(CC(=O)N)C4CCC(=O)N)C(C)(C)C3CCC(=O)N)OP(=O)(O)OC6C(O)C(OC6CO)n7cnc8cc(C)c(C)cc78,0,0,0,0,0,0,0
4054 OC(COc1cccc2OC(=CC(=O)c12)C(=O)O)COc3cccc4OC(=CC(=O)c34)C(=O)O,0,0,0,0,0,0,0
4055 OCC1=CC(=O)C(=CO1)O,0,0,0,0,0,0,0
4056 CCOC=C1N=C(OC1=O)c2ccccc2,0,0,,0,,0,0
4057 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C3CC4CC3C=C4)cc1Cl,0,0,0,0,0,0,0
4058 CCOC(=CC(=O)C)O,0,0,0,0,0,0,0
4059 OC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O)c(Br)cc24)Br,,,,0,,,0
4060 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3cccc(c3)C(F)(F)F,,0,0,0,,,0
4061 OC(Cc1cccnc1)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,0
4062 OC(=O)C1CCCN1,0,,0,0,0,,0
4063 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO,1,1,,1,,0,1
4064 CCCCC(CC)COC(=O)c1ccc(O)cc1,,1,,,,0,1
4065 c1ccc2c(c1)sc3ccccc23,0,0,0,0,,0,0
4066 CCOCC(=O)O,0,0,0,0,0,0,0
4067 C=Cc1ccccc1C=C,0,0,0,0,0,0,0
4068 CCOC(C)OCC,0,0,0,0,0,0,0
4069 CC(CN(C)C)CN1c2ccccc2Sc3ccccc13,0,0,,0,,,0
4070 C1Cc2ccccc2CN1,0,0,0,0,0,0,0
4071 COC(=O)C(N)Cc1ccc(O)c(O)c1,0,0,0,0,,0,0
4072 OCCN(CCO)CCN(CCO)CCO,0,0,,0,0,0,0
4073 Brc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1,1,,,,,,1
4074 COc1cccc(O)c1O,1,1,0,,,1,1
4075 CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc3ccccn3,1,0,1,,0,0,1
4076 OCCOCCOCCOCCOCCO,0,0,0,0,0,0,0
4077 CCOCCOC(=O)C(=C)C,0,,0,0,0,0,0
4078 CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12,0,0,0,0,0,0,0
4079 O=C1N(CCCCN2CCN(CC2)c3ncccn3)S(=O)(=O)c4ccccc14,0,0,0,0,0,0,0
4080 OC(=O)c1cc2ccccc2nc1C(=O)O,0,0,0,0,0,0,0
4081 CC1C(O)CCC2(C)C1CCC3(C)C2C(O)CC4C(=C(CCC=C(C)C)C(=O)O)C(CC34C)OC(=O)C,0,,0,0,0,,0
4082 CC12CCC(CC1)C(C)(C)O2,0,0,0,0,0,0,0
4083 CC(=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C)C,0,,0,0,0,,0
4084 CC(=O)CCC1=C(C)CCCC1(C)C,,,0,0,0,0,0
4085 FC(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F,0,0,0,0,0,0,0
4086 Cc1ccccn1,0,0,0,0,0,0,0
4087 CC(C)C(=O)OCC=Cc1ccccc1,0,0,0,0,0,0,0
4088 C[N+](C)(C)C,0,0,0,0,0,0,0
4089 CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl,1,1,,,,1,1
4090 BrCCc1ccccc1,0,0,0,0,0,0,0
4091 CCCCCCCCCCCC(=O)N(CCO)CCO,,,,0,,,0
4092 C1CCC(CC1)N(Sc2nc3ccccc3s2)C4CCCCC4,0,0,,,1,,1
4093 COC(=O)c1ccccc1C(=O)OC,0,0,0,0,0,0,0
4094 OC1CCCCC1,0,0,0,0,0,0,0
4095 CC(O)CCl,0,0,0,0,0,0,0
4096 CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2,1,,0,0,,0,1
4097 CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,0,0,0,0,0,0,0
4098 CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N3CCCCC3)ccc1C(=O)O,1,,1,1,0,1,1
4099 CCCSP(=O)(OCC)SCCC,0,0,0,0,0,0,0
4100 CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS,,,0,0,0,,0
4101 CCOP(=S)(OCC)SCCl,,0,,,0,0,0
4102 CCC(=O)OC(C)(CCC=C(C)C)C=C,0,0,0,0,0,0,0
4103 COC(=O)Cl,0,0,0,0,0,0,0
4104 ON1C=CC=CC1=S,1,1,,,,1,1
4105 OCCN(CCO)CCO,0,0,0,0,0,0,0
4106 CC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl,1,1,1,,,,1
4107 CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1,0,0,0,0,0,0,0
4108 OCCNCCO,0,0,0,0,0,0,0
4109 CC(C)(C)CC(C)(C)c1ccc(O)c(c1)n2nc3ccccc3n2,0,,0,0,,0,0
4110 CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]cn5)NC(=O)C6CCC(=O)N6,0,,0,0,0,,0
4111 CCOC(=O)CCC(=O)C,0,0,0,0,0,,0
4112 CCC(C)OC(C)CC,0,,0,0,0,0,0
4113 Nc1cc(Cl)cc(c1O)S(=O)(=O)O,0,0,0,0,0,0,0
4114 CC(=C)C1CCC(C)(O)CC1,0,0,0,0,0,0,0
4115 Cc1cccc(C(=O)O)c1[N+](=O)[O-],0,0,0,0,0,0,0
4116 O=C(OCC1CCC2OC2C1)C3CCC4OC4C3,0,0,0,0,0,0,0
4117 N#CCCC#N,0,0,0,0,0,0,0
4118 COC(F)(F)C(Cl)Cl,0,,0,0,0,,0
4119 COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,1,1,1,1,,,1
4120 CCC(=O)N(C1CCN(Cc2cccs2)CC1)c3ccccc3,0,0,0,,,,0
4121 ClC(Cl)Br,,0,0,0,0,0,0
4122 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O,0,0,0,0,0,0,0
4123 COC1C=COC2(C)Oc3c(C)c(O)c4C(=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)C5=NC6(CCN(CC(C)C)CC6)N=C5c4c3C2=O)O,,,,0,,1,1
4124 COC(=O)CCCCCCCCC(=O)OC,0,0,0,0,0,0,0
4125 CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,0,,,0,,,0
4126 CC(C)CCCO,0,0,0,,0,0,0
4127 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0
4128 CN(C)C(=O)C(Cl)C(=O)C,,,1,0,1,,1
4129 CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,0,,,0,,,0
4130 CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2C1C(=O)O,0,,0,0,0,,0
4131 CCOC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])O,1,0,1,0,,0,1
4132 CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4,,,,0,,0,0
4133 O=S(=O)(c1ccccc1)c2ccccc2,,0,0,0,0,0,0
4134 Cc1cc(Br)ccc1NC(=O)CCl,,,,,,1,1
4135 Oc1ccc(O)cc1,1,1,,0,,0,1
4136 CC(C)(C)OOC(C)(C)C,0,0,0,0,,0,0
4137 CC(C)SCc1occc1,0,0,,0,0,0,0
4138 O=C(OC1CN2CCC1CC2)N3CCc4ccccc4C3c5ccccc5,0,,0,0,,,0
4139 NC1CCN(CC1)c2cccc(Cl)n2,0,0,0,0,,0,0
4140 CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O,0,,1,0,0,,1
4141 CN1CCCC1Cc2c[nH]c3ccc(CCS(=O)(=O)c4ccccc4)cc23,0,0,0,0,,0,0
4142 CCN(CC)CCNc1ccc(CNC=O)c2Sc3ccc(OC)cc3C(=O)c12,1,1,1,,,,1
4143 CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3,,1,,,,,1
4144 COC(COC(=O)N)C1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C,1,1,,,1,,1
4145 CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,1,1,,1,1,1,1
4146 OS(=O)(=O)NC1CCCCC1,0,0,0,0,0,0,0
4147 [O-][N+](=O)c1ccccc1CCl,0,,0,0,0,1,1
4148 CNC1CCC(c2ccc(Cl)c(Cl)c2)c3ccccc13,,1,,,,1,1
4149 OC(=O)c1cc(Cl)ccc1Cl,0,0,0,0,0,0,0
4150 CCCCNS(=O)(=O)c1ccccc1,0,0,0,,0,0,0
4151 CCCCCCC1(C)CCC(=O)O1,0,0,0,0,0,,0
4152 Oc1nc2ccccc2n1CCCN3CCN(CC3)C(c4ccccc4)c5ccccc5,1,,1,,,,1
4153 Cc1nc(cn1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0
4154 CCC(C)NC(=O)N,0,0,0,0,0,0,0
4155 CCOC(OCC)OCC,0,0,0,0,0,0,0
4156 CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,0,0,0,0,0,0,0
4157 c1nc[nH]n1,0,0,0,0,0,0,0
4158 CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2,,0,0,0,0,0,0
4159 NC(=O)n1c(O)c(C(=O)c2cccs2)c3cc(Cl)ccc13,,1,,,,1,1
4160 CNC(=O)Oc1cccc2CC(C)(C)Oc12,0,0,0,0,0,0,0
4161 CCOC(=O)C(C)C(=O)C,0,0,0,0,0,0,0
4162 CC(=O)CC(=O)Nc1ccc2[nH]c(O)nc2c1,0,0,0,,0,0,0
4163 CCOP(=S)(Cl)OCC,0,0,,,,0,0
4164 COP(=O)(O)OP(=O)(O)OC,0,0,0,,0,0,0
4165 OC(=O)C(=C(Cl)C=O)Cl,,,1,,,,1
4166 CCOC(=O)C1CC(=C(C(=O)C2CC2)C(=O)C1)O,0,0,0,0,0,0,0
4167 CCCCCCOC(=O)c1ccccc1,,0,0,0,0,0,0
4168 Cc1[nH]cnc1CN2CCc3c(C2=O)c4ccccc4n3C,0,,,0,0,0,0
4169 CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,0,0,0,0,0,0,0
4170 Cc1cccc(c1)C#N,0,0,0,0,0,0,0
4171 CC(C)(CCl)c1ccccc1,0,0,0,0,0,0,0
4172 N#CSCSc1nc2ccccc2s1,1,1,1,,,1,1
4173 Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0
4174 Cc1nc2cc(Cl)ccc2[nH]1,0,0,0,0,0,0,0
4175 CC(=O)c1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],0,1,0,0,,0,1
4176 CC(=O)OCC1=C(N2C(SC1)C(N)C2=O)C(=O)O,0,0,0,0,0,0,0
4177 CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0,0,0,0,0,0,0
4178 [O-][N+](=O)c1cc(c(Cl)c(c1Nc2ncc(cc2Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,,1,,1,,1,1
4179 CCCCOCCOCCO,0,0,0,0,0,0,0
4180 CCC(C)C(N)C1=NC(CS1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC2CCCCNC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc4ccccc4)NC(=O)C(NC(=O)C(CCCN)NC2=O)C(C)CC,0,,0,0,0,,0
4181 Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Cl)cc3)C(=O)NN4CCCCC4,1,,,0,,,1
4182 CCCCCCC#CC(=O)OC,0,0,0,0,0,0,0
4183 BrCC(Br)(CCC#N)C#N,,,1,,,,1
4184 CCCCOCC(C)OCC(C)O,0,0,0,0,0,0,0
4185 OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3,0,,0,0,0,0,0
4186 CC1CCC2CC1C2(C)C,0,0,0,0,0,0,0
4187 CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c3ccc(Oc4ccc(N)cc4)cc3,,1,,,,,1
4188 OC(=O)c1oc2ccc(Cc3cccnc3)cc2c1,0,,0,0,0,,0
4189 O=C(CCCCCCCCCCCCC1CCCC1)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)CCCCCCCCCCCCC4CCCC4)cc3,0,,0,0,0,,0
4190 CCCN1CCCC2Cc3[nH]ncc3CC12,0,0,0,0,,0,0
4191 CCOc1ccccc1O,0,0,0,0,0,0,0
4192 OCC1OC(S)C(O)C(O)C1O,1,,1,0,,,1
4193 CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC,,0,0,,1,0,1
4194 CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2,,1,0,,,,1
4195 CC=C(C)C=CC=C(C)C,,0,,0,,0,0
4196 NCC(=O)O,0,0,0,0,0,0,0
4197 Nc1nc(cs1)C(=CCC(=O)O)C(=O)NC2C3SCC=C(N3C2=O)C(=O)O,0,,0,0,0,,0
4198 CC1=C(C)C(=O)C(=C(C)C1=O)CCCCC#CCCCC#CCO,1,1,0,,,1,1
4199 CS(=O)(=O)c1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl,0,0,0,0,0,0,0
4200 CC(=O)c1ccc(cc1)C(=O)C,0,,0,0,0,0,0
4201 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,0,0,0,0,,0,0
4202 Clc1cccc(NN=C(C#N)C#N)c1,,1,,1,,1,1
4203 Cc1cc(ccc1NC(=O)c2cccc(I)c2C(=O)NC(C)(C)CS(=O)(=O)C)C(F)(C(F)(F)F)C(F)(F)F,1,,0,0,1,,1
4204 Cc1cccnc1,0,0,0,0,0,0,0
4205 CCC(=O)N(C1CCN(CCc2cccs2)CC1C)c3ccccc3,,,0,,,0,0
4206 CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)c3ccccc3)C2=O,0,0,0,0,0,0,0
4207 OC(=O)c1ccccc1C(=O)O,0,0,0,0,0,0,0
4208 OC(C(=O)OC1CC2CCC(C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5,0,0,0,0,0,0,0
4209 CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,1,1,,0,,1,1
4210 COC(=O)c1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0
4211 COC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2ccccc2OC(F)F)O,0,0,1,0,,0,1
4212 NC1=NC(=O)N(C=C1)C2COC(CO)O2,0,0,0,0,,0,0
4213 CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,0,0,0,0,0,0,0
4214 C(C1COc2ccccc2O1)N3CCCCC3,0,,0,0,0,,0
4215 OC(=O)CCC(=O)C(=O)O,0,0,0,0,0,0,0
4216 CCC(O)C(C)(C)C,0,0,0,0,0,0,0
4217 CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(OC)c(C)c1C,1,1,,1,1,,1
4218 Oc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1,1,1,,0,1,0,1
4219 OS(=O)(=O)CCS,0,0,0,0,0,0,0
4220 NC(=O)CS(=O)C(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
4221 NC(Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O,1,1,0,,,,1
4222 [O-][N+](=O)c1cccc(c1)C(=O)Cl,0,0,0,0,,0,0
4223 CCOC(=O)C(=C)C,0,0,0,0,0,0,0
4224 Clc1ccc(c(Cl)c1)C2(Cn3cncn3)OCCO2,0,0,0,0,0,0,0
4225 o1c2ccccc2c3ccccc13,0,0,0,0,0,0,0
4226 CC(Cl)C(C)Cl,0,0,0,0,0,0,0
4227 CCC1(CC)C(=O)NC(=O)NC1=O,0,0,0,0,0,0,0
4228 CNCCc1ccccn1,0,0,0,0,0,0,0
4229 CCOc1ccccc1OCC,0,0,0,0,0,0,0
4230 CCOC(=C1C(C(=C(C)N=C1C)C(=O)OCC)c2ccccc2C=CC(=O)OC(C)(C)C)O,1,1,,1,,1,1
4231 CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4,0,0,0,0,,,0
4232 CC(=O)Nc1ccccc1,0,0,0,0,0,0,0
4233 OOC1CCOP(=O)(N1)N(CCCl)CCCl,,,0,0,0,,0
4234 O=C1C2CCCCC2C(=O)N1CCCCN3CCN(CC3)c4nsc5ccccc45,,0,0,,,0,0
4235 CCC1CCC(=O)O1,0,0,0,0,0,0,0
4236 CCCCCCNCCCCCC,0,0,0,0,0,0,0
4237 CNC(CC(C)C)C(=O)NC1C(O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)C(O)C6NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8C(NC6=O)C(=O)O)c3OC9OC(CO)C(O)C(O)C9OC%10CC(C)(N)C(O)C(C)O%10)c(Cl)c2,,,0,0,0,,0
4238 COc1cc(CC(C)N)c(OC)cc1C,0,0,0,0,,0,0
4239 CCN(CC)N=O,0,0,0,0,0,0,0
4240 CC(C)c1ccccc1O,0,0,0,0,0,0,0
4241 COCCOCCOCCOCCOCCO,0,0,0,0,0,0,0
4242 Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O,,1,,,,1,1
4243 COc1nccnc1NS(=O)(=O)c2ccc(N)cc2,0,0,0,0,0,0,0
4244 CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12,0,0,0,0,0,0,0
4245 CCCc1ccccc1O,0,0,0,,,0,0
4246 CCCCCCCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0
4247 CC(C)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,0,0,0,0,,0,0
4248 CCC(=C(CC)c1ccc(OP(=O)(O)O)cc1)c2ccc(OP(=O)(O)O)cc2,0,1,0,0,0,,1
4249 CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,0,0,0,0,0,0,0
4250 CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0
4251 CN(C)c1ccccc1,0,0,0,0,0,0,0
4252 CCOC(=O)Cc1ccccc1,0,0,0,0,0,0,0
4253 COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12,0,0,0,0,0,0,0
4254 OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0
4255 Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2,0,0,0,0,0,0,0
4256 CCCOC(=O)c1ccc(O)cc1,,1,0,1,0,0,1
4257 Cc1ccc(NC(=O)N)cc1,0,0,0,0,0,0,0
4258 CC(C)NCC(O)c1ccc2ccccc2c1,,0,0,0,,0,0
4259 Oc1ccc(NC(=O)c2ccccc2O)cc1,1,1,0,1,0,,1
4260 CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1,0,,0,0,0,0,0
4261 [O-][N+](=O)c1cccc(I)c1,0,0,0,0,0,0,0
4262 CCCCCCCCCCCCCCCCCCOS(=O)(=O)O,0,,,,,,0
4263 CC12CCC3C(CC=C4CC(CCC34C)OS(=O)(=O)O)C1CCC2=O,0,,0,0,0,,0
4264 CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C3CC(=O)CCN3C(=O)C(Cc4ccccc4)N(C)C(=O)C5CCCN5C1=O)c6ccccc6,0,,0,0,0,,0
4265 CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,0,,0,0,0,,0
4266 OC(=O)C(=O)Cc1c[nH]c2ccccc12,,,,0,0,0,0
4267 CC=C1C2Cc3nc(O)ccc3C1(N)CC(=C2)C,0,0,0,0,,0,0
4268 Cc1ccccc1C(=O)N,0,0,0,0,0,0,0
4269 CCCCCCCOC(=O)c1ccc(O)cc1,,1,,,,1,1
4270 OC(=O)CCCOc1ccc(Cl)cc1Cl,,0,0,,0,0,0
4271 CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0
4272 CC12CCC3C(CCc4cc(OC5CCCC5)ccc34)C1CCC2(O)C#C,1,1,1,0,,,1
4273 CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CCC4(C)C3CCC12C,0,,,0,1,,1
4274 OCC1OC(CC1O)N2C=C(C=CBr)C(=O)NC2=O,,,0,0,,,0
4275 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1,0,0,0,0,,0,0
4276 CCCCCC(=O)OCCc1ccccc1,0,0,0,0,0,0,0
4277 Sc1nnc(S)s1,0,0,0,0,0,0,0
4278 CC12NC(Cc3ccccc13)c4ccccc24,0,,0,0,0,,0
4279 OCCN(CCO)N=O,0,0,0,0,0,0,0
4280 CC(CCCC(C)(C)O)CC=O,0,0,0,0,0,0,0
4281 OC1C(COc2cc(O)ccc12)N3CCC(O)(CC3)c4ccc(F)cc4,1,1,0,1,,0,1
4282 Cc1ccc2OC(=O)C=Cc2c1,,,0,,0,0,0
4283 COCCOCCOCCO,0,0,0,0,0,0,0
4284 CCCc1ccc(O)cc1,0,0,,0,0,0,0
4285 c1ccc2cnccc2c1,0,0,0,0,,0,0
4286 Cn1cnc2c(O)nc(N)nc12,0,0,0,0,0,0,0
4287 Cn1c(O)c(N=NC(=S)N)c2ccccc12,,,1,,,1,1
4288 C(C1CN2CCC1CC2)N3c4ccccc4Sc5ccccc35,0,,0,,0,,0
4289 CCCCCCCCCCC=CC1CC(=O)OC1=O,1,,1,0,,0,1
4290 CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,0,0,0,0,0,0,0
4291 COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,0,0,,0,0,1,1
4292 [O-][N+](=O)c1ccc(Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc1,1,,1,,,1,1
4293 CCOC(=O)C(Br)c1ccccc1,0,0,0,0,0,0,0
4294 CC1COc2ccccc2N1,0,0,0,,0,0,0
4295 CC12CCC3C(CCC4CC(=O)CCC34C)C1CC=C2,0,1,0,0,0,,1
4296 CC1(C)SC2C(N3C(=O)C(NC3(C)C)c4ccccc4)C(=O)N2C1C(=O)O,0,,0,0,0,,0
4297 CCOC(=O)Nc1on[n+](c1)N2CCOCC2,0,0,0,0,0,0,0
4298 CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,1,1,1,0,,0,1
4299 CC(=O)Nc1ccc2c(Cc3cc(NC(=O)C)ccc23)c1,1,1,0,,0,0,1
4300 CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,0,,0,0,,,0
4301 CC(C)C(N)C(=O)OCCOCn1cnc2c(O)nc(N)nc12,0,0,0,0,0,0,0
4302 CCCCCC,0,0,0,0,,0,0
4303 CCCC(=O)C,0,0,,0,0,0,0
4304 Nc1c2ccccc2nc3ccccc13,1,1,1,1,1,,1
4305 CCOc1ccc(NC(=O)CC(=O)C)cc1,0,0,0,0,0,0,0
4306 Oc1c(N=Nc2ccc(cc2)N=Nc3ccc(cc3)S(=O)(=O)O)c(cc4cc(NC(=O)c5ccccc5)ccc14)S(=O)(=O)O,,,0,,,0,0
4307 CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c3ccccc3,,1,0,,,0,1
4308 COc1c2CN(C)CCc2cc3OCOc13,0,0,0,0,0,0,0
4309 [O-][N+](=O)c1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0
4310 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O,1,1,1,1,0,,1
4311 CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,0,1,0,,1,,1
4312 OC(=O)c1ccc(Cl)c(Cl)c1,0,,0,0,0,0,0
4313 CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O,0,0,0,0,0,0,0
4314 Cc1cccc(O)c1,0,0,0,0,0,0,0
4315 CCCCC=CCCCCO,0,0,0,0,0,0,0
4316 CCCCCC(O)C#C,0,0,0,0,0,0,0
4317 CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,,,,0,0,,0
4318 C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,1,1,1,1,1,,1
4319 OCc1ccccc1,0,0,0,0,0,0,0
4320 CC1=CCC(CC1)C(C)(C)O,0,0,0,0,0,0,0
4321 CCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N,0,0,0,0,0,0,0
4322 ClCCCCl,0,0,0,0,0,0,0
4323 CC1(C)C(N2C(CC2=O)S1(=O)=O)C(=O)O,1,,1,0,0,1,1
4324 ClC1=C(Cl)C2(Cl)C(CBr)CC1(Cl)C2(Cl)Cl,0,0,0,0,,0,0
4325 NCC1OC(OC2C(O)C(OC3C(O)C(N)CC(N)C3OC4OC(CO)C(O)C(O)C4N)OC2CO)C(N)C(O)C1O,0,,0,0,0,,0
4326 OC(=O)c1ccc(O)c(O)c1,0,0,0,0,,0,0
4327 COc1cc(ccc1O)C(=S)N2CCOCC2,0,,0,0,0,0,0
4328 CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1,,,,0,0,0,0
4329 C1CCC(CC1)NSc2nc3ccccc3s2,,0,0,0,0,0,0
4330 CC12Cc3cnoc3C=C1CCC4C2CCC5(C)C4CCC5(O)C#C,1,1,1,1,,,1
4331 S=C1NC(=S)NC(=S)N1,0,0,0,0,0,0,0
4332 ONC(=O)C1(CCOCC1)NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2,,1,0,0,0,0,1
4333 CC(C)CON=O,0,0,0,0,0,0,0
4334 Nc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O,,0,,0,0,0,0
4335 CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC,0,0,0,0,0,0,0
4336 COC(=O)C1CC(=O)C(CC1=O)C(=O)OC,0,0,0,0,0,0,0
4337 CCC(C)(C)c1ccc(O)c(c1)C(C)(C)CC,,1,,,,,1
4338 CCCCCCC(O)CO,0,0,0,,,0,0
4339 CCCCCCCC,0,,0,,1,0,1
4340 OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c4ccccc4)c2c1,0,0,0,0,0,,0
4341 CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,0,0,0,0,0,,0
4342 CCCCNc1ccc(cc1)C(=O)OCCN(C)C,0,,0,,,0,0
4343 CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c5ccc6OCOc6c5)C1=O,,,0,0,0,0,0
4344 CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(=O)C,1,1,1,1,,1,1
4345 CCCCOCCOCCOCCO,0,0,0,0,0,0,0
4346 CC(=O)OC(C(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
4347 COc1ccc(CC=C)cc1OC,0,0,0,0,0,0,0
4348 NC(=S)NCC=C,0,0,0,0,0,0,0
4349 Nc1nc[nH]n1,0,0,0,0,0,0,0
4350 Cc1c(Cn2ccnc2)c3ccccc3n1CCC(=O)O,0,0,0,0,0,0,0
4351 CCN(CC)CCC(=O)N1c2ccccc2Sc3ccc(cc13)C(F)(F)F,,,,0,,,0
4352 NC(=O)OCC(O)COc1ccc(Cl)cc1,0,,0,0,0,,0
4353 COc1ccc(cc1)C(=O)N2CCCC2=O,0,0,0,0,0,0,0
4354 CCOC(=O)c1ccc(OCCN2CC(O)C(O)C(O)C2CO)cc1,0,0,0,0,0,0,0
4355 CCNC1CC(C)S(=O)(=O)c2sc(cc12)S(=O)(=O)N,0,0,0,0,0,0,0
4356 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2,0,0,0,0,,0,0
4357 CC(C)Br,0,0,0,0,0,0,0
4358 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,0,0,0,0,0,0,0
4359 CC(C)N(CCC(c1ccccc1)c2cc(C)ccc2O)C(C)C,,0,0,0,,0,0
4360 CC(O)COc1ccccc1,0,0,0,0,0,0,0
4361 Sc1nc2ccccc2s1,,0,0,0,0,1,1
4362 CCCCc1ccccc1,0,0,0,0,0,0,0
4363 CCOP(=S)(S)OCC,0,0,0,0,0,0,0
4364 CCCOc1ccc(cc1c2nc(O)c3nn(Cc4ccccn4)c(CC)c3n2)S(=O)(=O)N5CCN(CC)CC5,0,0,0,0,,,0
4365 CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,,,0,0,,1,1
4366 CC(=O)CC(=O)c1ccccc1,0,0,0,0,0,,0
4367 Sc1ccccc1,0,0,0,0,0,0,0
4368 CCNC(=O)C(C)OC(=O)Nc1ccccc1,0,0,0,0,0,0,0
4369 CCCCCCOc1ccccc1C(=O)O,0,0,0,0,0,0,0
4370 CC(=O)OC12COC1CC(O)C3(C)C2C(OC(=O)c4ccccc4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(O)C3=O)C5(C)C)C,1,,1,0,1,,1
4371 N=C1NC(=O)N2CC12,1,,,0,0,,1
4372 C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4,0,0,0,0,0,0,0
4373 CN(C)C=Nc1ccc(Cl)cc1C,0,0,0,0,0,0,0
4374 O=C1C(C(=O)c2ccccc12)c3ccccc3,0,0,,0,0,0,0
4375 Clc1ccc(NC(=O)C2CC2)cc1Cl,1,1,,0,1,0,1
4376 COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1,0,0,0,0,0,0,0
4377 CCCCCCCCCCCCN=C(N)N,,1,0,0,,0,1
4378 Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1,0,0,0,,,,0
4379 Oc1c(N=Nc2ccc(c3ccccc23)S(=O)(=O)O)c4ccc(cc4cc1S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,,0
4380 Oc1cccc(CC2COC(=O)C2Cc3cccc(O)c3)c1,0,,0,0,0,0,0
4381 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COP(=O)(O)O)C4(C)CC(O)C23,1,,1,1,0,,1
4382 NC(C(=O)NC1C2CCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3,1,,1,1,0,,1
4383 CN(C)CCOC(=O)c1ccc2c(c1)c(C)c(C)n2Cc3ccccc3,,0,,0,,,0
4384 c1cnccn1,0,0,0,0,0,0,0
4385 CCCCCCCCCCCCCCCCCC(=O)O,0,0,0,0,0,0,0
4386 Cc1ccc(C)c(O)c1,0,0,0,0,0,0,0
4387 COC1=CC(=O)OC(=C1)C=Cc2ccc(OC)cc2,1,1,0,,0,0,1
4388 CCCCCCCCC=CCCCOC(=O)C,0,0,0,0,0,0,0
4389 CN(C)CCCNC(=O)C(=C)C,0,0,0,0,,0,0
4390 CCCCCCCCCCCCc1ccccc1,0,0,0,0,0,0,0
4391 CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O,0,0,0,0,0,,0
4392 NNC(=O)c1cccc(c1)C(=O)NN,,0,0,0,,0,0
4393 Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F,0,0,0,0,0,0,0
4394 CC(C)CCOC(=O)c1ccccc1,0,0,0,0,0,0,0
4395 NS(=O)(=O)c1ccc(cc1)C(=O)O,0,0,0,0,0,0,0
4396 CCOC(=O)CCl,0,0,0,0,0,0,0
4397 COc1cc(C)cc(O)c1,0,,0,0,0,0,0
4398 CCCOC(=O)NCCCN(C)C,0,0,0,0,0,0,0
4399 CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(OC4OC(C)C(O)C(N)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)C(=O)OC,0,,0,0,,,0
4400 CC(C)C(=O)OC(C)(CCC=C(C)C)C=C,0,0,0,0,0,0,0
4401 CCCCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0
4402 CC=CC(=O)Oc1c(CCCCCC(C)C)cc(cc1[N+](=O)[O-])[N+](=O)[O-],,1,,,1,,1
4403 Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2,0,0,0,0,0,,0
4404 OC(COc1cccc(c1)C(F)(F)F)C=CC2C(O)CC(O)C2CC=CCCCC(=O)O,0,,0,,0,,0
4405 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C,0,0,0,0,0,0,0
4406 Cc1cc(Nc2ccc(O)cc2)ccc1N,,,1,,,,1
4407 FC(F)(F)c1ccc(Cl)cc1Cl,0,0,0,,0,0,0
4408 C(Oc1cccc(OCC2CO2)c1)C3CO3,,,,,,1,1
4409 CCC1=CC2CN(C1)Cc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC,1,,1,0,,,1
4410 CC(C)c1cc2CCC3C(C)(CCCC3(C)c2cc1S(=O)(=O)O)C(=O)O,0,0,0,0,0,0,0
4411 COc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,,,0,,,0,0
4412 CC(=O)OC1CCC(CC1)C(C)(C)C,0,0,0,0,0,0,0
4413 Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)[O-],,1,1,0,,,1
4414 CC(=O)NC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0
4415 CC(N)Cc1ccc2OCOc2c1,,,0,0,0,,0
4416 OC(CNCCCCCCNCC(O)c1ccc(O)c(O)c1)c2ccc(O)c(O)c2,0,0,0,0,,0,0
4417 COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,0,0,0,0,0,0,0
4418 CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,0,,0,0,,,0
4419 CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4CCSc2c34)C(=O)O,0,0,0,0,0,0,0
4420 CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO,0,0,,,0,,0
4421 CC(C)C1=C(CN(C)C(C)Cc2ccccc2)N(C)N(C1=O)c3ccccc3,0,0,0,0,,,0
4422 CN1C2CCCC1CC(C2)NC(=O)c3nn(C)c4ccccc34,0,,0,0,,,0
4423 CCC1(NC(=O)N(C)C1=O)c2ccccc2,0,0,0,0,0,0,0
4424 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,1,,0,0,,,1
4425 CC(C)(CO)C(O)C(=O)NCCCC(=O)O,0,,0,0,0,,0
4426 O=C1CCC(CC1)C2CCCCC2,0,0,0,0,0,,0
4427 OC1(CCCCC1)C#N,0,0,0,0,0,0,0
4428 Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(O)c4ccccc4)C3=O)C(=O)O,0,,0,0,0,,0
4429 CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl,0,0,0,0,,0,0
4430 Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br,0,0,0,0,0,0,0
4431 ClC1CCCCC1=O,0,0,0,0,0,0,0
4432 OCCCCCCCCC=C,0,0,0,0,0,0,0
4433 OC(=O)c1ccc[n+]([O-])c1,0,0,0,0,0,0,0
4434 CCC(CO)(COCC=C)COCC=C,0,0,0,0,0,0,0
4435 CCCCCC(=Cc1ccccc1)CO,,0,0,,,0,0
4436 CCCCCCCCCCC=C,0,0,0,,0,0,0
4437 CCCCCCCCCCCCCCCl,0,0,0,0,,0,0
4438 CC(O)CN(CCCN(C)C)CCCN(C)C,0,0,0,0,0,0,0
4439 CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(=O)(=O)O)c5ccc6ccccc6c15,1,,,0,,,1
4440 CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1,1,1,0,,0,0,1
4441 OC(=O)CCCl,,0,0,0,0,,0
4442 CNCC1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1,0,,0,0,0,,0
4443 [O-][N+](=O)c1ccc2[nH]cnc2c1,0,0,0,0,0,0,0
4444 C1CCCCCCCCCCC1,,0,0,0,0,0,0
4445 O=Nc1ccc(Nc2ccccc2)cc1,,1,,,,1,1
4446 CCOc1ccc(NC(=Nc2ccc(OCC)cc2)C)cc1,0,,0,0,0,,0
4447 OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[N+](=O)[O-],1,,1,1,,1,1
4448 CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12,0,0,0,0,0,0,0
4449 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,0,0,0,0,0,0,0
4450 CCCCCC(=O)OCCC=CCC,0,0,0,0,0,0,0
4451 CC1(C)C(C=C2CCSC2=O)C1C(=O)OCc3coc(Cc4ccccc4)c3,1,1,1,0,,1,1
4452 CCC(=O)c1c(O)cc(O)cc1O,0,0,0,0,0,0,0
4453 CCOP(=S)(OCC)SCCSCC,0,0,0,0,0,0,0
4454 CC(=CCOC(=O)c1ccccc1)C,0,0,0,0,0,0,0
4455 NP(=O)(N)NC(=O)c1ccc(F)cc1,,0,0,0,0,0,0
4456 CCC(c1ccccc1)c2noc(CCN(CC)CC)n2,0,,0,0,0,,0
4457 CC(C)(C)NCCO,0,0,0,0,0,0,0
4458 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,0,,0,0,0,0,0
4459 c1ccc(nc1)c2ccccn2,,0,0,0,0,0,0
4460 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C4NC(COCCOC)OC(C4C)C1(C)O,0,,0,0,0,,0
4461 COP(=O)(OC)OC(=CC(=O)N(C)C)C,0,0,0,0,0,0,0
4462 CCC1(CO)COCOC1,0,0,0,0,0,0,0
4463 CC(=C)OC(=O)C,0,0,0,0,0,0,0
4464 [O-][N+](=O)c1ccc(F)cc1F,0,0,0,0,0,0,0
4465 COc1c(Br)cc(Br)c(C)c1Br,0,,0,0,,0,0
4466 CCC(O)c1ccccc1,0,,0,0,0,,0
4467 Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,1,1,,,,1,1
4468 COc1ccc2CC3C4CCC(O)C5Oc1c2C45CCN3C,0,0,0,0,0,0,0
4469 CCN(CC)C(=O)C1(CC1CN)c2ccccc2,0,,0,0,0,,0
4470 COC(=C1C(C(=C(C)N=C1C)C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-])O,1,1,1,1,,0,1
4471 CC(C)CCCC(C)CCO,0,0,0,0,0,0,0
4472 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,0,0,0,0,0,0,0
4473 CCCN1C(=O)NC(=O)c2[nH]cnc12,0,,0,0,0,,0
4474 CC(C)c1ccccc1C(C)C,0,0,,0,,0,0
4475 CC(C)(C)NC(=O)C1CCC2C3CC=C4C=C(CCC4(C)C3CCC12C)C(=O)O,0,,,0,0,,0
4476 CN1CCCCC1C(=O)Nc2c(C)cccc2C,0,,0,0,0,,0
4477 NCC1OC(OC2C(O)C(OC3C(O)C(N)CC(N)C3OC4OC(CN)C(O)C(O)C4N)OC2CO)C(N)C(O)C1O,0,,0,0,0,,0
4478 Cc1ccc2ccc3cccc4ccc1c2c34,0,,0,0,0,0,0
4479 CC1=NN(C(=O)N1C(F)F)c2cc(NS(=O)(=O)C)c(Cl)cc2Cl,0,0,0,0,0,,0
4480 CCOc1ccc(NC(=C)Nc2ccc(OCC)cc2)cc1,0,,0,0,0,,0
4481 C1C=Cc2ccccc12,0,0,,0,0,0,0
4482 CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C,,1,1,,,,1
4483 CC(=O)OC1CC(CC=C1C)C(=C)C,0,0,0,0,0,0,0
4484 CC(=O)NC(CS)C(=O)O,0,0,0,0,0,0,0
4485 CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0,0,0,0,0,0,0
4486 Cc1ccc2ccccc2c1[N+](=O)[O-],0,0,0,,,0,0
4487 CN(C)CCN(Cc1ccccc1)c2ccccn2,0,0,0,0,0,0,0
4488 CCNc1nc(NC(C)C)nc(OC)n1,0,0,0,0,0,0,0
4489 CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(O)CC3CC(OC(=O)C)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C)(C)C1(O)O2)O3)C(C)O,,,,0,,,0
4490 CC(COC(=O)C)OC(=O)C,0,0,0,0,0,0,0
4491 Oc1ncc(N(CCCl)CCCl)c(O)n1,0,,0,0,0,,0
4492 COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C,0,,0,0,0,1,1
4493 Nc1ccc(N)c(Cl)c1,,,0,,,0,0
4494 CN(C)c1ccc(cc1)N=Nc2cccc(C)c2,1,1,0,1,,,1
4495 C1C[n+]2ccccc2c3cccc[n+]13,1,,0,0,0,0,1
4496 C1CC=CCCC=C1,0,0,0,0,0,0,0
4497 CCOP(=S)(OCC)SCSc1ccc(Cl)cc1,0,0,0,0,0,0,0
4498 CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(NC)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2)C=CC1C,1,1,,,,,1
4499 ClC(Cl)(Cl)C(Cl)(Cl)Cl,,0,0,0,0,0,0
4500 CNC1CCC(c2ccc(Cl)c(Cl)c2)c3ccc(cc13)S(=O)(=O)N,1,1,,,,,1
4501 CN(CCCl)CCCl,1,1,1,,,0,1
4502 CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc4ccccc4,,,0,0,,,0
4503 OC(=O)CC[N+](=O)[O-],,0,0,0,0,0,0
4504 ClP(=O)(Oc1ccccc1)Oc2ccccc2,,0,0,0,,0,0
4505 O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,0,0,,0,0,0,0
4506 CN(C)CCc1c[nH]c2cccc(O)c12,,1,0,0,,0,1
4507 NC(Cc1ccc(O)c(O)c1)C(=O)O,1,,0,0,0,,1
4508 COC(=C1C(C(=C(C)N=C1C)C(=O)OCC(=O)C)c2ccccc2[N+](=O)[O-])O,,,1,,,,1
4509 CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2,,1,0,0,,0,1
4510 CCC1CCC(NCc2cc3N(C)C(=O)C4CC4c3cc2OC)C(N1)c5ccccc5,1,,0,,,,1
4511 Cc1cc(N)n(n1)c2ccccc2,,1,0,,0,0,1
4512 OC(=O)C(CC(=O)N1CC2CCCCC2C1)Cc3ccccc3,0,,0,0,0,,0
4513 O=[P+](Oc1ccccc1)Oc2ccccc2,0,0,0,0,0,0,0
4514 CCC(=CC)C(=O)NC(=O)N,0,,0,0,0,,0
4515 CC(CC=O)c1ccccc1,0,0,0,0,0,0,0
4516 CC1CC(CC(C)(C)C1)OC(=O)C(O)c2ccccc2,1,,1,0,,,1
4517 OCC[N+](=O)[O-],0,0,0,0,0,0,0
4518 CCCCc1cc2ccccc2c(OCCN(C)C)n1,,0,1,0,,0,1
4519 NC(=N)n1cccn1,0,,0,0,0,,0
4520 NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(OC3OC(CO)C(O)C3O)C1O,,,0,0,0,,0
4521 ClCOCCl,0,0,0,0,0,0,0
4522 CC(=O)Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(OC(=O)C)cc4,1,1,1,1,1,,1
4523 CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-],0,0,0,0,0,0,0
4524 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,0,0,0,0,0,0,0
4525 C(Cc1ccc2OCOc2c1)N3CCCC(C3)OC(c4ccccc4)c5ccccc5,0,0,0,0,,,0
4526 CCC(C)(C)CC,0,0,,0,0,0,0
4527 CCCCCCCCCCCCCCCC(=O)OC(C)C,0,0,0,0,0,0,0
4528 O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3,0,0,0,0,0,0,0
4529 FC(F)(F)c1cccc(c1)C2=CCN(CCc3ccc4ccccc4c3)CC2,0,0,0,0,,,0
4530 CC(C)(C)c1ccc2c(c(ccc2c1)C(C)(C)C)S(=O)(=O)O,,,0,0,0,1,1
4531 Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12,0,0,0,0,0,0,0
4532 COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,0,,0,0,0,,0
4533 CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3,1,1,,1,,,1
4534 CCCCCCCCCCCCCCCCC,0,0,0,0,0,0,0
4535 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,0,0,0,0,,0,0
4536 O=C1NC(=O)C(=O)C(=O)N1,0,0,0,0,0,0,0
4537 CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC,0,0,0,0,,0,0
4538 CN(C)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,,0,1,0,,0,1
4539 Cc1cc(O)ccc1N,,,,,,0,0
4540 COP(=O)(NC(=O)C)SC,0,0,0,0,0,0,0
4541 CC(O)CN(CC(C)O)CC(C)O,0,0,0,0,0,0,0
4542 Nc1ccc(cc1N)[N+](=O)[O-],,,0,0,,0,0
4543 Oc1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0
4544 OC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,0,0,0,0,0,0,0
4545 COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N,0,,0,0,0,,0
4546 CN1C(=O)N(C)c2[nH]cnc2C1=O,0,0,0,0,,0,0
4547 ClC(=O)c1cc(cc(c1)C(=O)Cl)C(=O)Cl,0,0,0,,,0,0
4548 CC(N)(Cc1ccc(O)cc1)C(=O)O,0,0,0,0,0,0,0
4549 NC(=O)c1ccc(N)cc1,0,0,0,,0,0,0
4550 CN(C)CCC=C1c2ccccc2C=Cc3ccccc13,0,,0,0,,,0
4551 CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O,0,0,0,0,0,0,0
4552 Cc1nccn1c2ccc(Sc3cccc(c3)C4(CCOCC4)C(=O)N)cc2,1,1,,1,1,,1
4553 OC(=O)c1ccccc1S,0,0,0,0,0,0,0
4554 CCCCCCC(=O)OCC=C,0,0,0,0,0,0,0
4555 Clc1ccc(s1)C(=O)NCC2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O,,1,,,,,1
4556 Oc1cccc2cc3cccc(O)c3c(O)c12,0,0,0,0,0,0,0
4557 CN1C2CCC1CC(C2)OC(=O)c3cc(Cl)cc(Cl)c3,0,0,0,0,,,0
4558 C[N+](C)(C)CCOC(=O)N,,0,0,0,0,,0
4559 CCCCCCC=CCCCCCCCC(=O)O,,0,0,0,0,1,1
4560 O=C1CCCCCCCCCCC1,0,0,0,0,0,0,0
4561 ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl,1,1,,,,1,1
4562 COCC(N1CCN(CC1C)C2(C)CCN(CC2)C(=O)c3c(C)ncnc3C)c4ccc(cc4)C(F)(F)F,0,0,0,0,0,0,0
4563 Oc1oc(nn1)c2oc(cc2)[N+](=O)[O-],,,0,0,0,0,0
4564 CC(=O)Oc1cccc(O)c1,0,,0,0,0,0,0
4565 COc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,,0,0,,,0,0
4566 CC(=O)c1ccccc1,0,0,0,0,0,0,0
4567 CC(=CC=CC(=CC(=O)Nc1ccc(O)cc1)C)C=CC2=C(C)CCCC2(C)C,1,1,,,,,1
4568 CCC1COC(=O)O1,0,0,0,0,0,0,0
4569 CCCCCCCCC=CCCCCCCCC(=O)OCC,0,0,0,0,0,0,0
4570 Cc1cc(CC(=O)O)c(C)n1c2ccc(Cl)cc2,0,0,,0,,1,1
4571 ClC1C2OC2C3C1C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl,,0,,,,,0
4572 CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)C#C,1,1,1,0,,0,1
4573 Oc1ncc(F)c(O)n1,0,,0,0,1,0,1
4574 Sc1nc2ccccc2[nH]1,0,0,0,,0,0,0
4575 ON1C=C[N+](=O)c2ccccc12,0,,0,0,0,,0
4576 COC(=O)CCS,0,0,0,0,0,0,0
4577 Oc1ccc(cc1)N=O,0,0,0,0,0,0,0
4578 CCCCCCCCCBr,0,0,0,0,0,0,0
4579 Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,0,0,0,0,0,0,0
4580 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2,1,1,1,0,,1,1
4581 CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C,0,1,0,1,0,,1
4582 CCCCCCCCS(=O)(=O)O,0,0,0,0,,0,0
4583 CN(C)Cc1ccccc1,0,0,0,0,0,0,0
4584 CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O,0,,0,0,0,0,0
4585 CC(C)C1CCC(C)CC1OC(=O)c2ccccc2N,0,1,,0,,,1
4586 NC(CCC(=O)N)C(=O)O,,,,0,0,0,0
4587 CC(=O)c1cc(C)oc1C,,0,0,0,,0,0
4588 COC(=O)C=CC(=O)OC,0,0,,0,0,,0
4589 CC1CCCCN1CCCOC(=O)c2ccccc2,0,,0,0,0,,0
4590 CCCCCCCCCCCCCCCC(=O)NCCO,0,0,0,0,0,0,0
4591 c1ccc2ccccc2c1,0,0,0,0,0,0,0
4592 Fc1ccc(C(=O)NS(=O)(=O)C=Cc2ccccc2)c(Cl)c1,1,1,1,,0,,1
4593 OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0,,0,0,,,0
4594 CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1,,1,0,1,0,0,1
4595 CCC(OCCCOC)OC(=O)C,0,0,0,0,0,0,0
4596 CC(C)(C)c1ccc(O)c(O)c1,1,1,1,,,1,1
4597 Nc1cc(Cl)c(cc1Cl)c2cc(Cl)c(N)cc2Cl,,1,,1,1,,1
4598 CCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl,1,1,,,,,1
4599 CCc1nc(C)c[nH]1,0,0,0,0,0,0,0
4600 CCC(=O)OC(C)(C)C1CCC(=CC1)C,0,,0,0,0,0,0
4601 CC=C(C)C(=O)OCCC(C)CCC=C(C)C,0,0,0,0,0,0,0
4602 CN(C)CCCNCCCN,0,,0,0,0,0,0
4603 C[N+]1(CC2COC(O2)(c3ccccc3)c4ccccc4)CCCCC1,0,0,,0,0,0,0
4604 CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CCl,,,1,1,0,0,1
4605 NC(=S)N,0,0,0,0,0,0,0
4606 Oc1cccc(O)c1O,,1,1,0,0,0,1
4607 COc1c(N2CCNC(C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(=O)O,,0,0,0,0,0,0
4608 CC(C)c1nnc(C)n1C2CC3CCC(C2)N3CCC(NC(=O)C4CCC(F)(F)CC4)c5ccccc5,0,,0,0,0,,0
4609 CC(C)(C)OO,0,0,,0,0,0,0
4610 CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3,0,0,0,0,,0,0
4611 CCCCCCCCN,0,0,0,0,0,0,0
4612 COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1O,1,1,,1,,,1
4613 CSc1ccc(C=O)cc1,0,0,0,0,0,0,0
4614 CCCCC1CN(CC2CCOCC2)C(=O)OC13CCN(CC3)C4(C)CCN(CC4)C(=O)c5c(C)ncnc5C,0,0,0,0,0,0,0
4615 OC1COC2C(O)COC12,0,0,0,0,0,0,0
4616 CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C,1,1,0,0,1,,1
4617 CCCCCCCCCCCCCCCCCl,0,0,0,0,0,0,0
4618 COC(=O)CC(=O)C,0,0,0,0,0,0,0
4619 CCCc1c(O)c(ccc1OCCCOc2ccc(OCC(=O)O)cc2)C(=O)C,,,,,,1,1
4620 CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(NC(=O)C4CCCN4C(=O)C(Cc5ccccc5)NC1=O)C(C)C)C(C)C,1,,1,,,1,1
4621 CC(O)CCCCN1C(=O)N(C)c2ncn(C)c2C1=O,0,0,0,0,0,0,0
4622 CCCC1N(C=C(CC)C=C1CC)c2ccccc2,,1,1,,1,0,1
4623 COC(=O)c1ccc(C=O)cc1,0,0,0,,0,0,0
4624 CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,0,0,0,0,0,0,0
4625 O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13,1,,,,,,1
4626 CCCCCCC=CC=O,0,,,0,0,,0
4627 Cc1[nH]cnc1CC2CCc3c(C)c4ccccc4n3C2=O,1,1,0,0,,,1
4628 OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0
4629 C[S+](CCC(N)C(=O)O)CC1OC(C(O)C1O)n2cnc3c(N)ncnc23,0,,0,0,0,,0
4630 CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC,,,0,0,0,,0
4631 Clc1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)NC(=O)CS5)c2c1,,,,,,1,1
4632 Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2,,1,,,,,1
4633 CCC(=O)N(C1CCN(CCc2cccs2)CC1)c3ccccc3,0,1,0,0,,0,1
4634 C=CCCCCCCC=C,,,0,,0,0,0
4635 [O-][N+](=O)c1cccc2cccnc12,0,0,0,0,0,0,0
4636 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12,0,0,0,0,0,0,0
4637 COc1cc(ccc1N)[N+](=O)[O-],0,1,0,,0,0,1
4638 COc1ccc(C=NNC(=O)c2ccncc2)c(C(=O)O)c1OC,0,,0,0,,,0
4639 FC1(F)CC(C#N)N(C1)C(=O)CNC2CC3CCC(C2)N3c4ncccn4,0,,0,0,0,0,0
4640 COc1nc(NC(C)C)nc(NC(C)C)n1,0,0,0,0,0,0,0
4641 CCOC(=O)c1ccccc1,0,0,0,0,0,0,0
4642 CC(=O)NC1C(NC(=N)N)C=C(OC1C(O)C(O)CO)C(=O)O,0,0,0,0,0,0,0
4643 CCCCCC=CC=CC=O,0,,,0,0,,0
4644 CCN1C(Nc2ccc(OCCN3CCCCC3)cc2)c4ccccc4C1=O,0,,0,0,0,0,0
4645 COC1=CC(=O)OC(C1)C=Cc2ccccc2,1,,0,1,0,0,1
4646 COc1cc(C)ccc1C(C)C,0,0,0,0,0,0,0
4647 CC(Cl)C(Cl)Cl,0,0,0,0,0,0,0
4648 CCC(CO)(CO)COCC(CC)(CO)CO,0,0,0,0,0,0,0
4649 OC(=O)Cc1ccc(OCC=C)c(Cl)c1,,1,0,0,0,1,1
4650 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,0,0,0,0,0,0,0
4651 CN(C)CCC=C1c2ccccc2CSc3ccccc13,0,,0,0,,,0
4652 CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(N)CC2OC1OC4OC(CO)C(N)C(O)C4O,0,,0,0,0,,0
4653 CC1=C(C(=O)NCCO)[N+](=O)c2ccccc2N1O,0,0,0,0,0,0,0
4654 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2,,0,0,0,0,0,0
4655 CN1C(=O)N(C)c2ncn(CCO)c2C1=O,0,0,0,0,0,0,0
4656 O=C1N(CCc2noc(n2)c3ccc(CN4CCCCCC4)s3)C(=O)c5ccccc15,,1,,0,,0,1
4657 CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O,0,0,0,0,0,0,0
4658 OC(=O)CNC(=O)c1ccccc1,0,0,0,0,0,0,0
4659 CC(C)C(=O)OCCc1ccccc1,0,0,0,0,0,0,0
4660 COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O)n1,0,0,0,0,0,0,0
4661 CC(C)CC(=O)CC(C)C,0,0,0,0,0,0,0
4662 CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,0,0,0,0,0,0,0
4663 OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC2CCCCC2,0,0,0,0,,0,0
4664 CCCSSCC=C,,,0,0,0,0,0
4665 [O-][N+](=O)NC1=NCCN1Cc2ccc(Cl)nc2,0,0,0,0,0,0,0
4666 C[N+](C)(C)CC(O)CCl,0,,0,0,0,0,0
4667 OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC1C(O)C2O,0,0,0,0,0,0,0
4668 Nc1n[nH]c(N)n1,0,0,0,0,0,0,0
4669 Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0
4670 Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O,,,0,,,0,0
4671 CC(=O)OC1CC2CCC3C(CCC4(C)C3CC(C4OC(=O)C)[N+]5(C)CCCCC5)C2(C)CC1N6CCCCC6,0,0,0,0,0,0,0
4672 NS(=O)(=O)c1ccc(Cl)c(c1)S(=O)(=O)N,0,0,0,0,0,0,0
4673 CCCCCc1cc(O)c2c(OC(C)(C)c3ccc(C)cc23)c1,1,1,,,,,1
4674 CC12CCC(C1)C(C)(C)C2O,0,0,0,0,0,0,0
4675 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,,1,1,,,,1
4676 Cc1cc2OCOc2cc1CC(=O)c3sccc3S(=O)(=O)Nc4onc(C)c4Cl,,,,,,1,1
4677 CN1CCOC(c2ccccc2)c3ccccc3C1,0,0,0,0,0,0,0
4678 CC(CN)CCCN,0,0,0,0,0,0,0
4679 CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,0,0,,0,0,0,0
4680 CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C,1,,,0,,1,1
4681 CN(C)C1C2C(O)C3C(=C)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O,,,,0,0,,0
4682 CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)OCCl,1,1,1,1,,1,1
4683 Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],1,1,1,0,,1,1
4684 COc1cc(c(C)cc1N=Nc2c(O)ccc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O,,,0,,,0,0
4685 CCCCC=CC=CC=O,,0,1,0,1,,1
4686 CN1CCCC1CCOC(C)(c2ccccc2)c3ccc(Cl)cc3,,0,0,0,,,0
4687 CCCc1ccc(O)c(OC)c1,0,0,0,0,0,0,0
4688 Clc1ccc(cc1)C(=O)NCCN2CCOCC2,,0,0,0,0,0,0
4689 CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0,0,0,0,0,0,0
4690 Nc1ccc(cc1)C(=O)NCC(=O)O,0,0,0,0,0,0,0
4691 CCOc1ccccc1C(=O)N,0,0,0,0,0,0,0
4692 CCCC(C)(COC(=O)N)COC(=O)NC(C)C,0,0,0,0,0,0,0
4693 OC(CCC1C(N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4,,0,0,0,1,1,1
4694 c1ccc2c(c1)ccc3ccccc23,0,0,0,0,,0,0
4695 Nc1ccc(Cl)cc1[N+](=O)[O-],0,0,,0,0,0,0
4696 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CN(C)C2=O)C(=O)O,0,0,0,0,0,0,0
4697 [O-][n+]1ccccc1S,1,1,,,,1,1
4698 COc1cc(cc(OC)c1OC)C(=S)N2CCOCC2,0,0,0,0,0,0,0
4699 Nc1ccc(cc1)C(=O)Nc2ccccc2N,1,1,1,1,,1,1
4700 NC1=NC(=N)c2ccccc12,1,,,,,,1
4701 CCON=C(CC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C,,,0,0,,0,0
4702 CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34,1,,0,0,0,,1
4703 C(Oc1ccc(cc1)C(C(c2ccc(OCC3CO3)cc2)c4ccc(OCC5CO5)cc4)c6ccc(OCC7CO7)cc6)C8CO8,,1,0,1,,0,1
4704 CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,1,,1,1,0,0,1
4705 Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl,1,1,0,1,,1,1
4706 CCN(CC)CCSC(=O)C(c1ccccc1)c2ccccc2,0,1,1,0,,1,1
4707 O=C(NCCc1c[nH]c2ccccc12)c3cccnc3,,0,0,1,0,0,1
4708 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4,,,,,,0,0
4709 C[N+](C)(CC=C)CC=C,0,0,0,0,0,0,0
4710 CC(C)COC(=O)CCCCC(=O)OCC(C)C,0,0,0,0,0,0,0
4711 CCCCN(CCCC)C(=O)N(CCCC)CCCC,0,0,0,,1,0,1
4712 CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C,0,0,0,0,0,0,0
4713 Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,0,1,0,,0,0,1
4714 CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1,1,0,,0,1,1,1
4715 CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0,,0,0,0,,0
4716 CCCCCCCCC=CCCCCCCCCOCCO,1,1,,,,,1
4717 Oc1ccc(cc1)C(=O)c2ccc(O)cc2O,1,1,,,1,,1
4718 Brc1ccc(Oc2ccc(Br)cc2)cc1,0,0,0,0,0,0,0
4719 CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O,0,0,0,0,0,0,0
4720 CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N,0,0,0,0,0,0,0
4721 OC(=O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3,,0,0,0,0,1,1
4722 CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,0,,0,0,0,,0
4723 SCCCCCCCCS,,0,0,0,0,,0
4724 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,0,0,0,0,0,0,0
4725 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2Cc3ccccc3CC2C(=O)O,0,0,0,0,0,0,0
4726 CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2,0,0,0,0,0,0,0
4727 CON(C)C(=O)Nc1ccc(Br)cc1,,1,0,,0,0,1
4728 Nc1ccncc1N,0,0,0,0,0,,0
4729 NC(=O)NO,0,0,0,0,0,0,0
4730 CCCOc1ccc2nc(NC(=O)OC)sc2c1,1,1,,1,,,1
4731 CC(C)NCC(O)c1ccccc1Cl,0,0,0,0,0,0,0
4732 OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,1,1,,0,0,0,1
4733 c1ccc2[nH]ccc2c1,0,0,0,0,0,0,0
4734 CC(C)CC(C)(C)C,0,0,0,0,0,0,0
4735 COc1ccc2cc(ccc2c1)C(C)C(=O)O,0,0,0,0,0,0,0
4736 CC(=CCCC(=O)C)C,0,0,0,0,0,0,0
4737 Cc1ccc(Cl)cc1,0,0,0,0,0,0,0
4738 CCCCCCOc1ccccc1C(=O)N,1,1,0,,1,0,1
4739 CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,1,1,,0,,1,1
4740 CCCCN(CCO)CCCC,0,0,0,0,0,0,0
4741 CC1CN1P(=O)(N2CC2C)N3CC3C,0,0,0,0,0,,0
4742 OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3,0,0,0,0,0,0,0
4743 Nc1cccc2c(N)cccc12,,,0,0,0,0,0
4744 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3,0,,0,0,1,0,1
4745 COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,1,1,0,,,1,1
4746 CCCCCCCCCC,0,0,0,0,0,0,0
4747 CC12CCC3C(CCC4CC5SC5CC34C)C1CCC2O,1,1,,1,0,,1
4748 CCCCCCCCCC#N,,0,0,0,0,0,0
4749 CCNC1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N,0,0,0,0,0,0,0
4750 [O-][N+](=O)C(Br)Br,0,,0,,,,0
4751 CC(C)COC(=O)c1ccccc1O,0,0,0,0,0,0,0
4752 CC(=O)OCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,0,,0,0,0,,0
4753 Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OC(=O)c5ccccc45)c1Br,,,,0,,,0
4754 CCCCOC(=O)c1ccccc1,0,0,0,0,0,0,0
4755 CCCCC(CC)C(=O)O,0,0,0,0,0,0,0
4756 CC(O)CNCC(C)O,0,0,0,0,0,0,0
4757 CCCCCCCCS(=O)C(C)Cc1ccc2OCOc2c1,1,1,,,,,1
4758 OS(=O)(=O)CC=C,0,0,0,0,0,0,0
4759 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c4ccccc4)c2c1,,,,0,,0,0
4760 O=C(NC1CN2CCC1CC2)c3ccc4OCCOc4c3,0,0,0,0,0,0,0
4761 OC(=O)c1cccc(c1)N(Cc2cccnc2)c3ccc(OC(F)F)c(OC(F)F)c3,,,,0,0,1,1
4762 OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,0,,0,0,0,,0
4763 CC(C)(C)c1ccc(CCC=O)cc1,0,,0,,0,0,0
4764 CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)O,0,,0,0,0,,0
4765 FC(C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl,1,,0,0,0,0,1
4766 CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C,,,0,1,,1,1
4767 OS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0
4768 Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,,0,0,,0,0,0
4769 CCC=CCCOC(=O)CC,0,0,0,0,0,0,0
4770 CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl,0,,,0,,0,0
4771 COC(=O)C=C(C)CCC=C(C)C,0,0,,0,0,0,0
4772 CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C,0,0,0,0,0,0,0
4773 CC1CCc2nccnc12,0,0,0,0,0,0,0
4774 CC(C)CCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0
4775 Nc1ccc(O)c(c1)[N+](=O)[O-],0,,,0,0,0,0
4776 CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,0,0,0,0,0,0,0
4777 CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,0,0,0,0,0,0,0
4778 O=C1NC(=O)c2ccccc2O1,,0,0,0,0,0,0
4779 Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Br)sc4n12,1,1,1,1,,,1
4780 CC(C)(CO)CO,0,,0,0,0,0,0
4781 C=CC(=O)OCCOc1ccccc1,,,1,0,1,,1
4782 COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,,0,,0,0,1,1
4783 Cc1ccc(cc1)C(=O)O,0,0,0,0,0,0,0
4784 Oc1ccc(C=C(C#N)C#N)cc1O,1,,0,0,,0,1
4785 COc1cc(CC=C)ccc1O,0,0,0,0,0,0,0
4786 OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O,1,,0,0,0,,1
4787 CCC(C)(O)C#C,0,,0,0,0,,0
4788 CNC(=O)NC,0,0,0,0,,0,0
4789 NC(CSSCC(N)C(=O)O)C(=O)O,,0,0,0,0,0,0
4790 C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(O)(c4cccs4)c5cccs5,0,,,0,0,,0
4791 OC(=O)C=CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,0,,0,0,0,,0
4792 C[N+]1(C)CCCCC1,0,0,0,0,,0,0
4793 OCNC(=O)NCO,0,0,0,0,0,0,0
4794 OC(=O)c1ccc2c(c1)nc(C(=O)NC3CCN(CC3)C4CC4)n2Cc5cc(on5)c6ccc(Cl)s6,,1,0,0,0,1,1
4795 Cc1ccc(O)c(N)c1,,1,0,,,1,1
4796 OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC8C(O)C(O)C(OC8CO)OC9C(O)C(O)C(OC9CO)OC1C(O)C2O,0,0,0,0,0,0,0
4797 CCCCCCCCCCCCN1CCCC1=O,0,,,,,,0
4798 CNc1ccc(cc1)[N+](=O)[O-],,,,,,0,0
4799 Cc1ccc(cc1[N+](=O)[O-])C(=O)O,0,0,0,0,0,0,0
4800 CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(=O)C)C3CC=C2C1,0,1,,0,0,,1
4801 CCCCCCC(C)(C)S,0,0,0,0,0,0,0
4802 COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,,,,0,0,,0
4803 Cc1occc1S,0,0,0,0,0,0,0
4804 CCCCCCCCCCCCCCCCC=C,0,0,0,0,0,0,0
4805 OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,,,0,,,0,0
4806 NC(=O)CCC(Nc1ccc(cc1)[N+](=O)[O-])C(=O)O,0,0,0,0,0,0,0
4807 CC1NCCOC1c2ccccc2,0,0,0,0,0,0,0
4808 CC1C(SC(=O)N1C(=O)NC2CCCCC2)c3ccc(Cl)cc3,,1,0,0,,1,1
4809 CC(C)Nc1ccccc1,0,0,0,0,0,0,0
4810 Nc1ccc(cc1)S(=O)(=O)O,0,0,0,0,0,0,0
4811 COCCl,0,0,0,0,0,0,0
4812 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C,0,0,0,0,0,0,0
4813 CC(C)CCCCCOC(=O)CCS,0,0,0,0,0,0,0
4814 OCCCC1CCCCC1,0,0,0,0,0,0,0
4815 Nc1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34,,1,,,,,1
4816 CCCCCCCCCCCl,0,0,,0,0,0,0
4817 CCc1ncnc2cc(OC)c(OC)cc12,0,,0,0,0,,0
4818 CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,,1,0,,,1,1
4819 CCCCCCC(=Cc1ccccc1)C=O,0,0,0,0,0,0,0
4820 Brc1ccc(Br)c(Br)c1,0,0,0,0,0,0,0
4821 Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(C)c4,1,,0,,,,1
4822 CCCCN(N=O)C(=N)N[N+](=O)[O-],0,1,,,,,1
4823 CCOC(=O)CN1C(=O)Sc2cccc(Cl)c12,,,,,0,0,0
4824 c1ccc(cc1)c2nc[nH]c2c3ccccc3,,0,0,0,1,0,1
4825 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4,,1,,,,,1
4826 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3,0,0,0,0,,,0
4827 CC(=C)C(=O)OCC=C,0,0,0,0,0,0,0
4828 Cc1cnc(C)c(C)n1,0,0,0,0,0,0,0
4829 Clc1ccc(CN2CCSC2=NC#N)cn1,0,0,0,,0,0,0
4830 CN(C)c1ccncc1,0,0,0,0,0,0,0
4831 Clc1ccnc(Cl)n1,0,0,0,0,0,0,0
4832 NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl,0,0,0,0,0,0,0
4833 Oc1ccc(cc1)C(=O)c2ccccc2,,,0,1,0,0,1
4834 COc1cc(Cl)c(OC)cc1Cl,0,0,0,0,0,0,0
4835 COc1ccc2CC3C4CCCCC4(CCN3C)c2c1,0,,0,0,,,0
4836 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,1,1,1,0,,,1
4837 Cc1cn[nH]c1,0,0,0,0,0,0,0
4838 CC1CCCO1,0,0,0,0,0,0,0
4839 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,0,0,0,0,0,0,0
4840 COC(=O)CCC(=O)CN,0,,0,0,0,,0
4841 CCN(CCO)CCn1c(Cc2ccccc2)nc3N(C)C(=O)N(C)C(=O)c13,0,0,0,0,0,0,0
4842 CN1CCc2cc3OCOc3cc2C1O,,,1,0,0,,1
4843 Oc1ccc(cc1)C(=O)NN=Cc2oc(cc2)[N+](=O)[O-],,,,,1,,1
4844 CC(C)C(C)C,,0,0,0,0,0,0
4845 CC1(C)COC(CC(=O)O)CN1,0,0,0,0,0,0,0
4846 CCCCc1ccc(N)cc1,0,,0,,0,0,0
4847 CC(C)OC(C)C,0,0,0,0,0,0,0
4848 CC(=C)C#N,0,0,0,0,0,0,0
4849 OC(CC(O)C=Cc1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)O,1,1,1,1,1,,1
4850 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3,1,,,0,0,,1
4851 CCCCOCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,,0,0
4852 CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1,1,1,1,,1,1,1
4853 CCN1CCN(CC1)c2cc(c3CCCCCCc3n2)c4ccc(F)cc4,0,0,,0,,0,0
4854 CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)O,0,0,0,0,0,,0
4855 CC1(C)OC2COC3(COS(=O)(=O)N)OC(C)(C)OC3C2O1,0,0,0,0,0,0,0
4856 CC(=O)N1CC(O)CC1C(=O)O,1,,0,0,0,0,1
4857 CCOP(=O)(CC)Oc1ccc(cc1)[N+](=O)[O-],1,,,1,0,1,1
4858 CCCCOP(=O)(O)OCCCC,0,,0,0,0,0,0
4859 OC1COC2C(COC12)O[N+](=O)[O-],0,,0,0,0,,0
4860 CON=C1CC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(=CC(C(=O)O3)C45O)C)O2)OC(C1C)C(=CC(C)C)C,1,,,0,,,1
4861 COC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)OC,0,0,0,0,0,0,0
4862 CCC(=O)C=Cc1ccc(OC)cc1,,,0,0,,0,0
4863 CCC(CC)Nc1ccc(C)c(C)c1,0,0,0,0,0,0,0
4864 Clc1cccc2ccccc12,0,0,0,0,0,0,0
4865 [O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-],1,,,,,,1
4866 CCCCCCCCCCOC(=O)C=C,0,0,,0,0,0,0
4867 CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-],1,1,0,1,0,,1
4868 N#Cc1c2ccccc2cc3ccccc13,,1,1,,0,1,1
4869 CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c2ccccc2,1,0,0,0,,0,1
4870 OC(=O)c1ccc(cc1)C#N,0,0,0,0,0,0,0
4871 OC1CCC2CN3CCc4c([nH]c5ccccc45)C3CC2C1C(=O)O,0,,0,0,0,0,0
4872 NC(=S)NNC(=S)N,0,0,0,0,0,0,0
4873 C(Cc1ccccc1)c2ccccc2,0,0,0,0,0,0,0
4874 CN(C)C1CCCCC1,0,0,0,0,0,,0
4875 Cc1ccccc1S(=O)(=O)O,0,0,0,0,0,0,0
4876 CCOP(=O)(CN(CCO)CCO)OCC,0,0,0,0,0,0,0
4877 CC=C1C(=O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,,1,,1,,1
4878 CCN(Cc1cccnc1)C(=O)c2cccc(Cl)c2C3(C)C(=O)N(Cc4ccc(OC)cc4OC)c5ccc(Cl)cc35,,1,,,,,1
4879 NC(=O)OCCCc1ccccc1,0,0,0,0,0,0,0
4880 CC(C)(O)c1cnn2c(cnc2n1)c3ccc(F)c(c3)c4c(F)cccc4C#N,1,1,,1,,,1
4881 NC(=N)NCCCCNC(=N)N,0,1,0,0,0,,1
4882 CC(C)CC(C)(N)C#N,0,0,0,0,0,0,0
4883 CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1,0,0,0,0,0,0,0
4884 CC(NN)c1ccccc1,0,0,0,0,0,0,0
4885 CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,1,,0,0,1,0,1
4886 Clc1ccc(CCC(Cn2cncn2)(C#N)c3ccccc3)cc1,,1,,1,,,1
4887 Cc1ccc(Cl)cc1N,0,0,0,0,0,0,0
4888 CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C,,0,,0,0,0,0
4889 CCN(CC)C=O,0,,0,0,0,0,0
4890 ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
4891 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,0,,0,0,0,,0
4892 CC(C)C1(C)N=C(NC1=O)c2ncc(C)cc2C(=O)O,0,0,0,0,0,0,0
4893 CCCCCC(O)C=CC=O,0,,0,0,0,,0
4894 CCC(C)SSC(C)CC,0,,0,0,0,,0
4895 Clc1ccc2cc3ccccc3cc2c1,,1,,,0,,1
4896 O=S1OCCO1,0,0,0,0,,0,0
4897 COC(=O)CCCCC(=O)OC,0,0,0,0,0,0,0
4898 CN(C)CCN(Cc1cccs1)c2ccccn2,0,0,0,0,,0,0
4899 COC(=O)C(C)O,0,0,0,0,0,0,0
4900 CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13,0,1,1,,0,0,1
4901 CCC=CCCO,0,0,0,0,0,0,0
4902 CC(NC(CCc1ccccc1)C(=O)O)C(=O)N2CCCC2C(=O)O,0,0,0,0,0,0,0
4903 CCCCNC1CC(C)(C)NC(C)(C)C1,0,0,0,,,0,0
4904 CC1=CC(=O)Oc2cc(O)cc(O)c12,,1,1,0,0,,1
4905 Oc1ccc(cc1)C(=O)c2ccc(O)c(O)c2O,,1,,0,0,0,1
4906 Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3,1,1,1,,,1,1
4907 OC(=O)CCOC(=O)C=C,1,,1,0,0,,1
4908 NC1CC1c2ccccc2,0,,0,0,0,0,0
4909 CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,1,1,1,0,,,1
4910 COc1cc(OC)c2C=CC(=O)Oc2c1,1,0,0,1,0,,1
4911 OCC(Br)CBr,,0,0,0,0,0,0
4912 CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,1,1,,,,,1
4913 C=C(CCC#N)C#N,0,0,0,0,0,0,0
4914 OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F,0,0,0,0,0,0,0
4915 CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,0,0,0,0,0,0,0
4916 Oc1[nH]cnc2ncnc12,,0,0,0,0,0,0
4917 CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c2ccccc2,,,0,0,0,,0
4918 CCCCC(=O)C=CC,0,0,0,0,0,0,0
4919 CCOc1ccc(N)cc1,0,0,0,,0,,0
4920 CC(C)c1nc(nc(c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O)N(C)S(=O)(=O)C,,,0,,0,,0
4921 CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,0,,0,0,0,,0
4922 OCC#C,0,,0,0,0,0,0
4923 CN1N=C(SC1=NC(=O)C)S(=O)(=O)N,0,,0,0,0,,0
4924 Cc1onc(c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4c(Cl)cccc4Cl,0,0,,0,0,0,0
4925 CN(C)CCOC(C)(c1ccccc1)c2ccccn2,0,0,0,0,0,0,0
4926 CCOC(=O)c1c(C)n(C)c2ccc(O)cc12,0,1,0,0,0,,1
4927 NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F,0,0,0,0,0,0,0
4928 CC1CCC2(NC1)OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C,0,,0,0,,,0
4929 CC(C)Cc1ccc(cc1)C(C)C(=O)O,0,0,0,0,0,0,0
4930 CN(C)S(=O)(=O)n1c(nc(Cl)c1c2ccc(C)cc2)C#N,,1,,,1,,1
4931 COc1cc(ccc1Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5,1,1,1,,1,,1
4932 OC(=O)Cc1csc(n1)c2ccc(Cl)cc2,,0,0,0,0,0,0
4933 O=C(C1CCC1)c2ccccc2,0,0,0,0,0,0,0
4934 CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC,,,0,,1,0,1
4935 Cc1ccc2ncccc2c1,0,0,0,0,0,0,0
4936 Cc1ccc(cc1)C(C)(C)C,0,0,0,0,0,0,0
4937 CC(C)(c1ccccc1)c2ccc(Nc3ccc(cc3)C(C)(C)c4ccccc4)cc2,,1,,0,0,0,1
4938 COC1CC(OC2C(C)C(OC3OC(C)CC(C3OC(=O)C)N(C)C)C(C)CC4(CO4)C(=O)C(C)C(OC(=O)C)C(C)C(C)OC(=O)C2C)OC(C)C1OC(=O)C,0,,0,0,0,,0
4939 BrCCCCBr,0,0,0,0,0,0,0
4940 CCN(CC)CCCl,0,0,,0,,0,0
4941 Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F,1,1,0,1,,0,1
4942 CCn1c2ccccc2c3cc(N)ccc13,,,0,0,1,0,1
4943 CC(=O)C(=CC1C(=CCCC1(C)C)C)C,,0,0,0,0,0,0
4944 Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c2,0,,,0,0,,0
4945 COc1ccc(cc1)C(=O)c2c(C)n(CCN3CCOCC3)c4ccccc24,1,0,0,0,,1,1
4946 CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,0,0,0,0,0,0,0
4947 CCCCCCCCCCCCCCCCCCOCCO,0,0,0,0,0,0,0
4948 CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1,1,1,,0,,1,1
4949 CCC(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0
4950 CCCCCCCCCOC(=O)C,0,0,0,0,0,0,0
4951 NNc1nc(cs1)c2ccc(N)cc2,,,0,,,,0
4952 O=C(Cc1ccccc1)OCc2ccccc2,0,,0,0,,0,0
4953 CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I,0,0,0,0,0,0,0
4954 CCC(=O)OC,0,0,0,0,0,0,0
4955 CNC(=O)Oc1cccc2ccccc12,0,0,0,0,0,0,0
4956 CCOC(=O)Cl,0,0,0,0,0,0,0
4957 Clc1nc(c(Cl)c(Cl)c1Cl)C(Cl)(Cl)Cl,,,1,,,1,1
4958 COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(=C)C,,1,1,,1,1,1
4959 CC(=CCCC(=CCCC(C)(O)C=C)C)C,0,0,0,0,0,0,0
4960 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nc(C)c(CC(=O)O)s3)c4csc(N)n4,0,,0,1,0,,1
4961 COC(=O)C12CCC(C)(C)CC1C3C(=O)C=C4C(C)(CCC5C(C)(C)C(=O)C(=CC45C)C#N)C3(C)CC2,,1,,,1,,1
4962 ON(Cc1ccccc1)Cc2ccccc2,0,0,0,,0,0,0
4963 OCC(CO)OP(=O)(O)O,0,,,0,0,,0
4964 OC(=O)C(Br)Br,0,0,0,0,0,0,0
4965 CC(C)CCCC(C)CC=O,0,0,0,0,0,0,0
4966 CCOP(=S)(OCC)OP(=S)(OCC)OCC,0,0,0,0,0,0,0
4967 CN(N=O)c1ccccc1,0,0,0,0,0,0,0
4968 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,0,0,0,0,,0,0
4969 CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,,0,0,0,0,0,0
4970 CCCCCCOc1ccc(O)cc1,1,1,,,,1,1
4971 OCC(CO)(CO)[N+](=O)[O-],0,0,0,0,0,0,0
4972 Oc1cc(O)c(Cl)cn1,0,0,0,0,0,0,0
4973 Nc1ccc(O)c(c1)C(=O)O,0,0,0,0,0,0,0
4974 CCN1C=CN(C)C1C,0,0,0,0,0,0,0
4975 CCCCOC(=O)CCC(=O)C,0,0,0,0,0,0,0
4976 CC(C)CC(C)O,0,0,0,0,0,0,0
4977 CCCBr,0,0,0,0,0,0,0
4978 CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2,0,0,0,0,0,0,0
4979 OC(C(=O)O)c1ccccc1,0,0,0,0,0,0,0
4980 COC1=CC=C2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45,0,,0,0,0,,0
4981 CCC(C)Nc1ccc(NC(C)CC)cc1,,1,,,,,1
4982 NC(CC(=O)N)C(=O)O,,,,0,0,,0
4983 CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS(=O)(=O)O)NC1=O)C(C)O,0,,0,0,,,0
4984 CCC(=NO)C,0,0,0,0,0,0,0
4985 C1COC=CC1,0,0,0,0,0,0,0
4986 O=C(OCCCCCCOC(=O)c1ccccc1)c2ccccc2,,,0,0,0,0,0
4987 CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2,,,0,0,0,0,0
4988 COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1OC(=O)C(C)(CO)CO,0,,0,0,,,0
4989 CC1C(NC(=O)C)C(OC2C(O)C(O)C(OC3C(O)C(NS(=O)(=O)O)C4OCC3O4)OC2C(=O)O)OC(CO)C1OC5CC(C(OC6OC(COS(=O)(=O)O)C(OC7OC(=CC(O)C7O)C(=O)O)C(O)C6NC(=O)C)C(O)C5O)C(=O)O,0,,0,0,0,,0
4990 OC(=O)CS,0,0,0,0,0,0,0
4991 OCC1OC(Oc2cc3C=CC(=O)Oc3cc2O)C(O)C(O)C1O,,,1,0,0,,1
4992 CCC(CC)C(=O)O,0,,0,0,0,0,0
4993 CCC12CCC3C(CCC4=CC(=NO)CCC34)C1CCC2(O)C#C,1,1,1,,,,1
4994 CCCCCCCCCCCCCCCC[N+](C)(C)C,1,1,,,,,1
4995 Cc1c[nH]c2ccccc12,0,0,0,0,0,0,0
4996 Cc1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
4997 C1CCC2CCCCC2C1,0,0,0,0,0,0,0
4998 Cc1nc(O)c(cc1c2ccncc2)C#N,0,0,0,0,0,0,0
4999 OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1,0,,0,0,,,0
5000 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O,0,0,0,0,0,0,0
5001 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1,0,0,0,0,0,,0
5002 Clc1nnc(Cl)c2ccccc12,,,1,0,0,1,1
5003 CCCCCCCCCCCCN1CCCCCC1=O,1,,,,,,1
5004 CCCCOCCOCCOCCOCCO,0,0,0,0,0,0,0
5005 COc1ccc(OC)c(NC(=O)CC(=O)C)c1,,0,0,0,0,0,0
5006 Fc1ccc(C=O)cc1Br,0,0,0,0,0,0,0
5007 COC(=O)C(C1CCCCN1)c2ccccc2,0,0,0,0,0,0,0
5008 NC(=N)N[N+](=O)[O-],0,0,0,0,0,0,0
5009 Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)c2cc1C,,,0,1,0,,1
5010 CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1,0,0,0,0,0,,0
5011 OC(=O)c1snc(Cl)c1Cl,0,0,,0,,0,0
5012 CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O,0,0,0,0,0,0,0
5013 BrCc1ccc(Br)cc1,,0,0,0,0,0,0
5014 Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4,1,1,0,,,0,1
5015 ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl,1,0,,0,0,0,1
5016 NC(Cc1ccc(O)cc1)C(=O)O,0,0,0,0,0,0,0
5017 CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2,,0,,,1,0,1
5018 CN(N=O)C(=O)N,0,0,0,0,0,0,0
5019 NC(COC(=C[N+]#N)O)C(=O)O,0,0,0,0,0,0,0
5020 CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(=O)C,0,,0,0,0,0,0
5021 CCNC(C)Cc1ccc2OCOc2c1,0,0,0,0,0,,0
5022 CCN(CC)CCc1c[nH]c2ccccc12,0,0,0,0,,0,0
5023 CC(CCOC=O)CCC=C(C)C,,0,0,,,0,0
5024 CCC1(O)C(=O)OCC2=C1C=C3N(Cc4c(C=NOC(C)(C)C)c5ccccc5nc34)C2=O,,1,,,,,1
5025 CCCCCCC(C)O,0,0,0,0,,0,0
5026 CNC(C)C(O)c1ccc(O)cc1,0,,0,0,0,,0
5027 Cc1ccc2c(Br)cc(Br)c(O)c2n1,1,1,1,0,,,1
5028 CCCCS(=O)(=O)Cl,0,0,0,0,0,0,0
5029 OCCCCO,0,0,0,0,0,0,0
5030 CN1CCN(CC1)C2=Nc3cc(F)ccc3Cc4ccccc24,,0,0,0,,,0
5031 CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0
5032 Cc1cc(C)cc(c1)[N+](=O)[O-],0,0,0,0,0,0,0
5033 CC(O)C(C)C1OC1CC2COC(CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(O)C2O,0,,0,0,0,,0
5034 COC(C(Oc1nc(C)cc(C)n1)C(=O)O)(c2ccccc2)c3ccccc3,0,0,0,0,0,0,0
5035 CSC(C)(C)C=NO,0,0,0,0,0,0,0
5036 CCCc1cc(ccn1)C(=S)N,0,0,0,0,0,0,0
5037 OP(=O)(O)OP(=O)(O)OP(=O)(O)O,0,,0,0,0,,0
5038 CCCCCCCN(CC)CCCC(O)c1ccc(NS(=O)(=O)C)cc1,0,,0,0,,,0
5039 Clc1cc(cnc1Cl)C(Cl)(Cl)Cl,0,,,,,0,0
5040 CCOC(=O)c1ccccc1C,0,0,0,,0,0,0
5041 OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O,0,,0,0,0,0,0
5042 CN1CC(O)c2cc(N=NC(=O)N)c(O)cc12,0,,0,0,0,,0
5043 CCCCN(CC)C(=O)SCCC,0,,0,0,0,0,0
5044 Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,,,0,,,1,1
5045 Nc1nccs1,0,0,0,0,0,0,0
5046 COC(=O)c1sccc1S(=O)(=O)N,0,0,0,0,0,0,0
5047 CCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,1,1,0,1,,0,1
5048 CC1CN(CCCn2c3ccccc3c4ccccc24)CC(C)N1,,,0,,,,0
5049 CC(C)(C)c1ccc(O)cc1,0,0,0,0,0,0,0
5050 CC(CC(=O)O)CC(C)(C)C,0,0,0,0,0,0,0
5051 OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,0,0,0,0,0,0,0
5052 CC(C)CCCCCCc1ccc(OCCOCCO)cc1,,0,0,0,0,0,0
5053 CCCCCCCCCCCCCCCCBr,0,0,0,0,0,0,0
5054 NC(=O)c1cc[n+](CC2=C(N3C(SC2)C(NC(=O)Cc4cccs4)C3=O)C(=O)O)cc1,0,0,0,0,0,0,0
5055 c1ccc(cc1)n2cnnn2,0,,0,0,0,,0
5056 CCCCCCCCC=CCCCCCCCCO,,0,,0,0,0,0
5057 CC(C)[N+](=O)[O-],0,0,0,0,0,0,0
5058 Cc1oc(nc1CCOc2ccc(CC(Nc3ccccc3C(=O)c4ccccc4)C(=O)O)cc2)c5ccccc5,,,,,,1,1
5059 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,0,1,0,,1
5060 Oc1ccccc1F,0,0,0,0,0,0,0
5061 CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCC,0,0,0,0,0,0,0
5062 COc1cc(cc(OC)c1OC)C(=O)N2CCOCC2,0,0,0,0,0,0,0
5063 OCCc1ccccn1,0,0,0,0,0,0,0
5064 COCCOCCOC,0,0,0,0,0,0,0
5065 OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O,,,,0,,,0
5066 C(CN1c2ccccc2Sc3ccccc13)N4CCCC4,,,0,0,,,0
5067 CC1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C,1,1,1,,,0,1
5068 NNC(=S)NN,0,0,0,,,0,0
5069 CCC1(C)CC(=O)NC1=O,0,0,0,0,0,0,0
5070 Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C,0,0,0,0,0,0,0
5071 OC(C(O)C(O)C(=O)O)C(O)C(=O)O,0,0,0,0,0,0,0
5072 COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,0,,0,0,1,,1
5073 Nc1ccc(N=Nc2ccccc2)c(N)n1,1,1,1,1,,0,1
5074 CCCCCCCCCCCCCCCC,,0,0,0,0,0,0
5075 OC(=O)CCCCCCCC(=O)O,0,0,0,0,0,0,0
5076 [O-][N+](=O)c1ccccc1Cl,0,0,0,0,0,0,0
5077 NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,0,0,0,0,0,0,0
5078 OC(=O)CCCCC1CCSS1,0,0,0,0,0,0,0
5079 CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1,0,0,0,0,,,0
5080 Oc1ccc2CC3N(CC4CC4)CCC56C(Oc1c25)C(=C)CCC36O,0,0,0,0,0,0,0
5081 NC(=S)NC(=S)N,0,0,0,0,,0,0
5082 CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3,1,,1,1,0,0,1
5083 CC1=CC(=C(c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)c4ccc(Nc5ccc(cc5S(=O)(=O)O)S(=O)(=O)O)cc4)C=CC1=N,0,0,0,0,0,0,0
5084 CC(C)(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0
5085 COc1cccc(OC)c1,0,0,0,0,0,0,0
5086 CC1(C)CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F,,1,,,,,1
5087 Clc1cccc(c1)C(c2ccc3[nH]cnc3c2)n4ccnc4,1,1,,1,1,0,1
5088 CNC1CCc2[nH]c3ccc(cc3c2C1)C(=O)N,0,,0,0,0,,0
5089 CN(C)CCCN1c2ccccc2CCc3ccccc13,,0,,0,,1,1
5090 C1CCc2nnnn2CC1,0,,0,0,0,,0
5091 CCCCCCCCCCCC(=O)O,,,,0,,0,0
5092 Oc1ccc(Cl)cc1Cc2ccccc2,,,,,,1,1
5093 OC1C(Cc2cccc(c2)C(=O)O)COc3ccc(OCc4nc5cc(F)ccc5s4)cc13,0,0,,0,0,0,0
5094 CC1(C)SC2C(NC(=O)C(C(=O)Oc3ccc4CCCc4c3)c5ccccc5)C(=O)N2C1C(=O)O,,,0,,0,,0
5095 CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2,,1,,,,,1
5096 CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],1,1,0,0,,0,1
5097 COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C,0,0,0,0,0,0,0
5098 BrCCCBr,0,0,0,0,0,0,0
5099 CCCSSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCO,,,1,,,,1
5100 CCC(=C(c1ccccc1)c2ccc(OCCN(C)C)cc2)c3ccccc3,0,1,,1,,,1
5101 c1ccc2c(c1)[nH]c3ccccc23,0,0,0,0,0,0,0
5102 CC(C)(C)c1ccc(C=O)cc1,0,0,0,0,0,0,0
5103 OC(=O)Cc1ccccc1,0,0,0,0,0,0,0
5104 COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2,0,0,0,0,0,0,0
5105 OS(=O)(=O)c1ccc2ccccc2c1,0,0,0,0,0,0,0
5106 Cc1cccc(C)c1NC(=O)c2ccccc2C(=O)O,0,0,0,0,0,0,0
5107 CCC(N)CO,0,0,0,0,0,0,0
5108 CCCCCCCCBr,0,0,0,0,0,0,0
5109 CCOC(=O)c1ncn2c1CN(C)C(=O)c3c(I)cccc23,0,0,0,0,,0,0
5110 OC(=O)c1cccnc1C(=O)O,,0,0,0,0,0,0
5111 CCCc1cc(O)nc(S)n1,0,0,0,0,0,0,0
5112 N#CC1(CCCCC1)N2CCCCC2,0,,0,0,0,,0
5113 CC(=O)NC(Cc1ccccc1)C(=O)O,0,0,0,0,,0,0
5114 Cc1cccc(Cl)c1,0,0,0,0,0,0,0
5115 CN=C(NCC1CCOC1)N[N+](=O)[O-],0,0,0,,0,0,0
5116 OC1=CC=CC=CC1=O,,,0,1,,0,1
5117 OCC1CCCO1,0,0,0,0,0,0,0
5118 CCCCCCCCCCCC(=O)OCC(O)C1OCC(OCCO)C1OCCO,0,,0,1,0,0,1
5119 CC(=O)OC=C,0,,0,0,0,0,0
5120 CNCCCCOc1ccccc1Cc2ccccc2,0,,0,,,1,1
5121 CCCC(=O)OCc1ccccc1,0,0,0,0,0,0,0
5122 Cc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
5123 CC=Cc1ccc2OCOc2c1,0,0,0,0,0,0,0
5124 CCCCOC(=O)C(C)O,0,0,0,0,0,0,0
5125 COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,,1,0,1,0,1,1
5126 C(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
5127 OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,,1,,,,,1
5128 [O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],,0,,0,0,0,0
5129 Oc1cc(Cl)c(Cl)c(Cl)c1,,1,,,,,1
5130 Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,,,1,0,,,1
5131 Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl,0,0,0,0,0,0,0
5132 CCCCCCCCCCCC(=O)N(CC)CC,0,0,0,0,0,0,0
5133 c1ccc(cc1)c2nn[nH]n2,0,,0,0,0,0,0
5134 NN=C(N)N,0,0,0,0,0,0,0
5135 CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1,1,,1,1,0,0,1
5136 CC(=O)NC(C(O)CC(=O)C(=O)O)C(O)C(O)C(O)CO,0,,0,0,0,,0
5137 CCCCCCCCCC(C)C=O,1,1,,,1,1,1
5138 CC1CC(CC(C)(C)C1)OC(=O)C(=C)C,0,0,0,0,0,0,0
5139 Oc1ccc(cc1)C(=O)CBr,0,0,0,,0,0,0
5140 NC(=O)NS(=O)(=O)c1ccc(N)cc1,1,0,,,0,0,1
5141 CC(c1ccc(O)cc1)c2ccc(O)cc2,1,1,,1,0,1,1
5142 CC(C)CC(C)N,0,0,0,0,0,0,0
5143 CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C23OO4,1,1,1,,,,1
5144 CC(C)CCOCC(=O)OCC=C,0,0,,0,0,0,0
5145 CCn1cc[n+](C)c1,0,0,0,0,0,0,0
5146 CCOC(=O)CC(=O)c1ccccc1,0,0,0,0,0,0,0
5147 CC(=O)c1ccc(cc1)[N+](=O)[O-],,0,0,0,0,0,0
5148 Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5,,,,0,,,0
5149 COc1cccc(c1)C(=O)CCNC(C)C(O)c2ccccc2,,0,,,,,0
5150 CC1C(NC(=O)N1C)c2ccccc2,0,0,0,0,0,0,0
5151 COC(=O)c1ccccc1Cl,0,0,0,0,0,0,0
5152 CC(=O)Oc1cccc(C)c1,0,0,0,0,0,0,0
5153 CC(C)C(=O)c1c(nn2ccccc12)C(C)C,0,0,0,0,0,0,0
5154 OC(=O)CCn1c2CCC(Cc2c3ccccc13)NS(=O)(=O)c4ccc(F)cc4,0,0,0,0,0,0,0
5155 CNC(=O)Oc1ccccc1C(C)C,0,0,0,0,0,0,0
5156 CCCC(=O)c1cc(O)c(O)cc1O,0,0,0,0,,0,0
5157 CC(C)(CS(=O)(=O)O)NC(=O)C=C,0,0,0,0,0,0,0
5158 CCSC(=O)N(CC)C1CCCCC1,0,0,0,0,0,,0
5159 CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](C)(C)CC1,0,,0,0,0,,0
5160 CN(C)CCCN,0,0,0,0,0,0,0
5161 Cc1cccc(Oc2ccccc2)c1,0,,0,,,0,0
5162 CCCCCCCCCCCCBr,0,0,0,,,0,0
5163 [O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl,0,0,0,,0,0,0
5164 CCC(C(C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(C5)c7ccc(F)cc7F)cc4,,1,,0,,,1
5165 OC(=O)c1c(Cl)ccc(Cl)c1Cl,0,0,0,0,,0,0
5166 CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC,0,0,0,0,0,0,0
5167 CN(C)CCOCCN(C)CCO,0,0,0,0,0,0,0
5168 CC1CCC2C(C)C3C(CC4C5CC=C6CC(CCC6(C)C5CCC34C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O)N2C1,0,1,0,,,,1
5169 COCCc1ccc(OCC(O)CNC(C)C)cc1,0,0,0,0,0,0,0
5170 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nn[nH]n3)C(C(C)C)C(=O)O,0,,0,0,0,,0
5171 C[N+]1(C)CCN(CC(O)(C2CCCCC2)c3ccccc3)CC1,0,,0,0,0,,0
5172 CCCCCCCCCCCCOC(=O)c1ccc(O)cc1,0,1,,,,0,1
5173 CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2,0,0,0,0,0,0,0
5174 CN1CCN(CC1)C2=Nc3ccccc3Cc4ccccc24,0,,0,0,,,0
5175 OCCOCC#CCOCCO,,0,0,0,0,0,0
5176 CCC(Cl)[N+](=O)[O-],0,0,0,0,0,0,0
5177 CC(=O)NC(=O)c1ccccc1O,0,0,0,0,0,0,0
5178 CC(C)C12CC1C(C)C(=O)C2,0,0,0,0,0,0,0
5179 CC1CC2C3CCC(O)(C(=O)COC(=O)C)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14,1,,1,1,0,,1
5180 CN1C(=O)OC(C)(C)C1=O,0,0,0,0,0,0,0
5181 OS(=O)(=O)c1cc(ccc1C=Cc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0
5182 Nc1ccc(c(N)c1)S(=O)(=O)O,0,0,0,0,0,0,0
5183 CCCCCCCCO,0,0,0,0,0,0,0
5184 CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,0,,0,0,0,,0
5185 OC(=O)CCl,0,0,0,0,0,0,0
5186 COC(C)OC,0,0,0,0,0,0,0
5187 CCCN(CCC)CCc1cccc2NC(=O)Cc12,0,0,0,0,0,0,0
5188 CN1C(=O)CC(C)(C1=O)c2ccccc2,0,0,0,0,0,0,0
5189 COc1cc(Cl)c(OC)cc1N,0,0,0,0,0,0,0
5190 CCCCP(CCCC)CCCC,0,0,0,0,0,0,0
5191 CCOP(=S)(OCC)ON=C(C#N)c1ccccc1,0,0,0,0,0,0,0
5192 CCCCc1cc2c(O)c(cnc2cc1OCc3ccccc3)C(=O)OC,0,,0,0,0,,0
5193 CCOC(=O)Cc1cccc2ccccc12,0,,0,0,0,0,0
5194 CCOC(=O)CC,0,0,0,0,0,0,0
5195 CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O,,,,0,,1,1
5196 CCOC(=O)COc1cc(c(F)cc1Cl)c2nn(C)c(OC(F)F)c2Cl,,0,0,0,0,,0
5197 OCC(Br)(CO)[N+](=O)[O-],,0,0,0,,,0
5198 CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12,0,0,0,0,0,,0
5199 CC(C)N1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0
5200 CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(O)CO,0,,,0,,0,0
5201 COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24,1,,,,,,1
5202 Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N,,0,0,0,0,0,0
5203 C=CCc1ccc2OCOc2c1,0,0,0,0,0,0,0
5204 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,1,,0,0,1
5205 NC(CSCC(=O)O)C(=O)O,0,0,0,0,0,0,0
5206 CCOc1nc(ns1)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
5207 Oc1c(I)cc(cc1I)[N+](=O)[O-],,1,,0,,,1
5208 CNC(=O)ON=C(C)SC,0,0,0,0,0,0,0
5209 OCC1CO1,0,,0,0,0,0,0
5210 CCCCCc1occc1,,,1,1,,1,1
5211 CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSc3ccncc3)C2=O)C(=O)O,0,0,0,0,0,0,0
5212 CCCCCCCCOCCCN,0,1,0,0,,0,1
5213 O=C1OC(=O)c2ccccc12,0,0,0,,0,0,0
5214 CCCCOCCO,0,0,0,0,0,0,0
5215 CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C,,,0,,,,0
5216 ClCC(=O)c1ccccc1,0,,0,1,0,,1
5217 Nc1nc(N)nc(NC2CC2)n1,0,0,0,0,0,0,0
5218 CCOC(=O)CC#N,0,0,0,0,0,0,0
5219 BrC(Br)C(Br)Br,0,0,0,0,,0,0
5220 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-],1,1,1,1,,,1
5221 Nc1ccccc1C(=O)OCC=Cc2ccccc2,1,1,0,1,,0,1
5222 Nc1cccc(c1)[N+](=O)[O-],0,0,0,0,0,0,0
5223 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,0,0,0,0,0,0,0
5224 CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCC(=O)O,,,0,0,0,,0
5225 CN(C)C1C2CC3C(=C(O)C2(O)C(=C(C(=O)NCN4CCCC4)C1=O)O)C(=O)c5c(O)cccc5C3(C)O,0,0,0,0,0,0,0
5226 COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C,,,,,0,,0
5227 CC(C)(O)CCC(C)(C)O,0,0,0,0,,0,0
5228 CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,1,,,0,,0,1
5229 Nc1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0
5230 CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2,0,0,0,0,0,,0
5231 c1ccc2nccnc2c1,,0,,0,,0,0
5232 CCC(=O)OCc1ccc(OC)cc1,0,0,0,0,0,0,0
5233 OC(=O)c1ccc(cc1)C(=O)O,0,0,0,0,0,0,0
5234 Nc1nc(N)c(s1)c2ccccc2,0,0,0,0,0,0,0
5235 C=CC1CC2CC1C=C2,0,0,0,0,0,0,0
5236 CC(C)C1=CCC(=CC1)C,0,0,0,0,0,0,0
5237 CNCCCN1c2ccccc2CCc3ccccc13,0,0,0,0,,,0
5238 Cc1onc(c2ccccc2)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O,0,,0,0,0,,0
5239 Cc1cc(C)nc(Nc2ccccc2)n1,1,,0,1,0,0,1
5240 CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(=O)CC,1,1,1,1,0,,1
5241 CC(CO)Oc1ccccc1,0,0,0,0,0,0,0
5242 CCCCC(CC)COC(=O)CC#N,0,0,0,0,0,0,0
5243 CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C,,,1,0,0,0,1
5244 CC1CC(=O)NN=C1c2ccc(NN=C(C#N)C#N)cc2,1,,,,,1,1
5245 Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O,1,0,0,0,,,1
5246 Clc1ccccc1CN2CCc3sccc3C2,0,1,0,0,,0,1
5247 Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,0,0,0,0,0,0,0
5248 C(Cc1ccccc1)Cc2ccccn2,,1,0,,0,0,1
5249 CC(O)COC(=O)C=C,,,,,0,1,1
5250 Sc1[nH]cnc2ncnc12,1,1,,1,0,,1
5251 Cc1cc(Cl)ccc1OCCCC(=O)O,,0,0,1,0,0,1
5252 CCCCSCCCC,0,0,0,0,0,0,0
5253 [O-][N+](=O)c1cc(c(Cl)c(c1Cl)[N+](=O)[O-])C(F)(F)F,1,,1,,,,1
5254 OCCNC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0
5255 Clc1cc(NC(=O)Nc2ccccc2)ccn1,,1,,,,,1
5256 CN(C)N=Nc1[nH]cnc1C(=O)N,0,0,0,0,0,0,0
5257 CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,1,1,,1,,,1
5258 CCCCCCCCC=CCCCCCCCC(=O)OCCO,,0,1,,,0,1
5259 Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34,0,0,0,0,0,0,0
5260 OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,0,0,0,0
5261 CN1C(=O)NC(=O)c2c1ncn2C,0,0,0,0,0,0,0
5262 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0,0,0,0,,0
5263 CC(C)(Oc1ccc(Cl)cc1)C(=O)O,0,0,0,0,0,,0
5264 NC(=N)c1ccc(OCCCOc2ccc(cc2Br)C(=N)N)c(Br)c1,1,1,1,0,,,1
5265 O=C(OCc1ccccc1)c2ccccc2,0,0,0,0,0,0,0
5266 C1CCC(CC1)NC2CCCCC2,0,0,0,0,0,0,0
5267 CC(=O)Oc1ccc2C3CCC4(C)C(O)CCC4C3CCc2c1,1,1,1,0,,0,1
5268 Cc1ccc(O)cc1C,0,0,0,0,0,0,0
5269 CC=CC=CCOC(=O)C(C)C,0,0,1,,,,1
5270 CCC1=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C(=O)N1CCOc4ccccc4,,1,,,,,1
5271 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(OC5C(O)C4O)c6cccs6)c7cc8OCOc8cc27,1,1,1,,1,,1
5272 NC(C(=O)N1C(CC2CC12)C#N)C34CC5CC(CC(O)(C5)C3)C4,0,,0,0,0,,0
5273 C=CC(=O)OCCOCCOC(=O)C=C,1,1,1,,,1,1
5274 COC1OC(CO)C(O)C(O)C1O,0,0,0,0,0,0,0
5275 FC(F)(F)c1cccc(Cl)c1,0,0,0,0,0,0,0
5276 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)C=CC=C4COC5C(O)C(=CC(C(=O)OC6CC(CC=C3C)OC7(C6)OC(C8CCCCC8)C(C)C=C7)C45O)C)OC(C)C1O,0,,,0,,,0
5277 CC(C)c1cc(Cl)c(C)cc1O,0,0,0,0,0,0,0
5278 CC1(C)CC(N)CC(C)(CN)C1,0,0,0,0,0,0,0
5279 NCCCN(CCO)CCO,,0,0,0,0,0,0
5280 CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(NC(=O)C)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2)C=CC1C,1,1,,,,,1
5281 Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,0,0,,0,,0,0
5282 Clc1ccc(cn1)C(Cl)(Cl)Cl,0,,0,,0,0,0
5283 CC(=O)c1ccc(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0
5284 CCCCc1c(C)nc(NCC)nc1O,0,0,0,0,0,0,0
5285 CCc1cc(c2cc(cccc12)C(C)C)S(=O)(=O)O,0,0,0,0,0,0,0
5286 CC(=O)Oc1ccccc1C(=O)O,0,0,0,0,0,0,0
5287 COC(=O)c1ccc(OC)cc1,0,0,0,,0,,0
5288 CN1C(=O)N(C)c2ncn(C)c2C1=O,0,0,0,0,0,0,0
5289 Cc1cc2N=C3C=CC(=[N+](C)C)C=C3Sc2cc1N,,,,,,0,0
5290 CC1=CC(=C(c2ccc(N)cc2)c3ccc(N)cc3)C=CC1=N,1,,0,,,,1
5291 CC(=O)OCc1occc1,0,0,0,0,0,0,0
5292 N#CCC#N,1,0,,,,,1
5293 CCCC(CCC)C(=O)O,0,0,0,0,0,0,0
5294 COc1ccc(cc1)n2nc(CCC(=O)N(C)O)cc2c3ccc(Cl)cc3,,1,,,,1,1
5295 NC(=O)CCCCC(=O)N,0,0,0,0,0,0,0
5296 COc1ccc(cc1)C(=O)C,0,,0,0,0,0,0
5297 CCN1CN(CC)CN(CC)C1,0,0,0,0,0,0,0
5298 CCCCCCCCCCCCC,0,0,0,0,0,0,0
5299 S=C1NCCN1,0,0,0,0,0,0,0
5300 Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1,0,0,,0,,0,0
5301 OCCOC(=O)C=C,1,,1,0,0,0,1
5302 CCOc1ccc(NC(=O)CC(C)O)cc1,0,0,0,0,0,0,0
5303 Clc1nc2ccccc2nc1Cl,,,0,,,1,1
5304 COCCOCCOCCOCCO,0,0,0,0,0,0,0
5305 CC(Cc1ccccc1)NCCn2cnc3N(C)C(=O)N(C)C(=O)c23,0,,0,0,0,0,0
5306 Nc1c2C(=O)c3ccccc3C(=O)c2c(Br)cc1S(=O)(=O)O,0,0,0,0,0,0,0
5307 CC#CCC(C)C(O)C=CC1C(O)CC2CC(=CCCCC(=O)O)CC12,0,,0,0,0,,0
5308 SC1CCCC1,0,0,0,0,0,0,0
5309 CC(O)C(=O)O,0,0,0,0,0,0,0
5310 CC1CCC(C=C(C)C(=O)O)C2=C(C)CCC12,,,,0,,,0
5311 CCCCNC(=O)N,0,0,0,0,0,0,0
5312 CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O,,1,,,,,1
5313 ClC(Cl)(Cl)c1ccccc1,0,0,0,0,0,0,0
5314 CCC[N+](=O)[O-],0,0,0,0,0,0,0
5315 CC1(C)CC(O)CC(C)(C)N1,0,0,0,0,,0,0
5316 NC1=NC(=N)c2cc3ccccc3cc12,1,1,,,,,1
5317 CC(=O)OCC[N+](C)(C)C,0,0,0,0,0,0,0
5318 CNC(=O)Oc1cc(C)c(SC)c(C)c1,,1,,,,,1
5319 [O-][N+](=O)c1ccccc1C(F)(F)F,0,0,0,0,0,0,0
5320 CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1,0,0,,0,0,0,0
5321 CCC1(CCC(O1)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C(OC)C(C)C(=O)O)O2)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C,1,,,0,,,1
5322 COC(=O)c1ccc(O)cc1,0,0,0,0,0,0,0
5323 OCC1OC2C(OC3=NC(=N)C=CN23)C1O,0,0,1,0,,0,1
5324 OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,,,0,0,0,0,0
5325 COC(=O)CC#N,0,0,0,0,0,0,0
5326 CC1CC(=O)O1,0,0,0,0,0,0,0
5327 CC(C)CCCC(C)CC=CC(=CC(=O)OCC#C)C,,0,,0,0,0,0
5328 CCOC(C)OCCC=CCC,0,,0,0,0,0,0
5329 CCOC(=O)c1ccccc1OC,0,0,0,0,0,0,0
5330 CCN(C(C)C)C(=O)c1cc(C)cc(OCC(C)Nc2ccncc2)c1,0,,,0,,0,0
5331 CCOC1OC(C(COCc2ccccc2)OCc3ccccc3)C(OCc4ccccc4)C1O,0,,0,0,,0,0
5332 COCCOC(=O)CC#N,0,0,,0,0,,0
5333 NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,1,1,,1,0,,1
5334 Cc1cc(C)cc(C)c1,0,0,0,0,0,0,0
5335 CCCCON=O,0,0,0,0,0,0,0
5336 CN1CCCN=C1C=Cc2sccc2C,,0,0,0,0,0,0
5337 OCc1c[nH]c2ccccc12,,1,,1,,1,1
5338 CCSCCCl,0,0,0,0,0,,0
5339 CC(=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C,0,0,1,0,0,,1
5340 CC(C)C(=O)OC1=C(C)OC=CC1=O,0,0,0,0,0,0,0
5341 CCNC1CC(N)C(OC2OC(=CCC2N)CN)C(O)C1OC3OCC(C)(O)C(NC)C3O,0,0,0,0,0,0,0
5342 CCCCOCNC(=O)C=C,0,0,0,0,0,0,0
5343 ON=C1CCCC1,0,0,,0,0,0,0
5344 COCCCN,0,0,0,0,0,0,0
5345 CCCCC(CC)COC(=O)COc1ccc(Cl)cc1C,,0,0,0,0,0,0
5346 C1COCO1,0,0,0,0,0,0,0
5347 CC(C)OC(=O)c1ccccc1,0,0,0,0,0,0,0
5348 COCC(C)N,0,0,0,0,0,0,0
5349 CCC(C)C(=O)C,0,0,0,0,0,0,0
5350 OCC(O)CCl,0,0,0,0,0,0,0
5351 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,0,0,0,0,0,0,0
5352 NC(=N)NCC1COc2ccccc2O1,0,,0,0,0,,0
5353 O=C(Oc1cccc2cccnc12)c3ccccc3,,,,,,1,1
5354 NC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0
5355 COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C,1,0,,0,,,1
5356 CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,,,0,0,,,0
5357 Nc1ccccc1S(=O)(=O)O,0,0,0,0,0,0,0
5358 CC1(C)SC2C(N=CN3CCCCCC3)C(=O)N2C1C(=O)O,,0,1,1,0,0,1
5359 CCCCc1ccc(O)cc1,,0,0,,,0,0
5360 Nc1ncnc(Nc2ccccc2)n1,,1,0,1,0,0,1
5361 Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,0,,,0,1,1,1
5362 CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,0,0,0,0,0,0,0
5363 [O-][N+](=O)C=Cc1ccccc1,1,1,1,,,,1
5364 [O-][N+](=O)c1cc(C=O)ccc1Cl,,,,,,0,0
5365 CCCCC(CC)CO[N+](=O)[O-],0,0,0,0,0,0,0
5366 COCCCOc1cc(CC(CC(N)C(O)CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)C(C)C)ccc1OC,0,0,0,0,0,0,0
5367 COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c2ccccc2,0,0,0,0,0,0,0
5368 COc1cc(cc(OC)c1OC)C(=O)OC(COCCC(C)C)CN2CCOCC2,0,,0,0,0,0,0
5369 C=CC(=O)NCNC(=O)C=C,1,1,0,1,0,,1
5370 CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
5371 Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1,0,0,,0,0,,0
5372 Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,1,1,1,1,,0,1
5373 CCC(CC)C=O,0,0,,0,0,0,0
5374 CC(C)C(C)(N)C#N,0,0,0,0,0,0,0
5375 CCOP(=O)(SC(C)CC)N1CCSC1=O,0,0,0,0,,0,0
5376 CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0,0,0,0,0,0,0
5377 Clc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCC2,0,0,0,0,0,0,0
5378 OC(=O)C(=O)Nc1cccc(c1)c2nn[nH]n2,0,0,0,0,0,0,0
5379 COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O,0,0,0,0,0,0,0
5380 CC1(C)CON(Cc2ccccc2Cl)C1=O,0,0,0,0,0,0,0
5381 CC(=O)Nc1ccc(C)cc1,,0,,0,0,0,0
5382 CSc1ccc(Oc2ccc(cc2CN(C)C)S(=O)(=O)N)cc1C,,,0,,,,0
5383 CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)CC(=O)NO,1,,1,0,0,,1
5384 CC(C)CCCC(C)(C)O,,0,0,0,0,0,0
5385 OC(=O)Cc1c[nH]c2ccccc12,0,0,0,0,0,0,0
5386 CC(C)C1CCC(C)CC1=O,0,0,0,0,0,0,0
5387 COc1ccc(N)c(C)c1,0,0,0,0,0,0,0
5388 OC(=O)C1CCN(CC1)c2ccc(F)cc2NC(=O)NC(=O)c3cc(F)c(F)cc3Cl,0,,,0,0,1,1
5389 N#CC1(CCCCC1)N=NC2(CCCCC2)C#N,0,0,0,0,0,0,0
5390 Cc1cc2nc(N)sc2cc1C,1,1,,1,,0,1
5391 CC[n+]1ccccc1,0,0,0,0,0,0,0
5392 OC(=O)COc1ccc2ccccc2c1,,0,0,0,0,0,0
5393 O=S1(=O)CC=CC1,0,0,0,0,0,0,0
5394 COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C,,0,0,0,,0,0
5395 NC1(CCC1)c2ccc(cc2)c3nc4ccn5c(O)nnc5c4cc3c6ccccc6,,1,1,0,,,1
5396 CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,0,0,0,0,,0,0
5397 CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,,0,1,,1,0,1
5398 Clc1cc(Cl)c2CN3CCCCCC3=Nc2c1,,1,0,1,,,1
5399 Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2,0,0,0,0,0,0,0
5400 [O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0
5401 CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,0,0,0,0,0,0,0
5402 O=CCCCC=O,0,1,,0,0,1,1
5403 Fc1ccc(cc1Cl)C(=O)Cl,0,0,0,0,0,0,0
5404 Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)CCl,1,,,0,,,1
5405 Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1,0,0,0,0,0,0,0
5406 C(Oc1ccc(cc1)N(CC2CO2)CC3CO3)C4CO4,1,1,,,1,,1
5407 [O-][N+](=O)c1cnc(s1)N2CCNC2=O,0,,0,0,0,,0
5408 OC(=O)c1cccnc1,0,0,0,0,0,0,0
5409 COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23,,,0,0,,,0
5410 CCCCCC(=O)O,0,0,0,0,0,0,0
5411 COCC(=O)O,0,0,0,0,0,0,0
5412 [O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,,0,,0,0,1,1
5413 Cc1cc(Cl)ccc1OCC(=O)O,0,0,0,0,0,0,0
5414 CC(=O)CC(=O)OC(C)(C)C,0,0,0,0,0,0,0
5415 CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,1,1,1,,,1,1
5416 CC(=O)C(=O)C,0,0,0,0,0,0,0
5417 CCCCCCCCCCCCOC(=O)C,0,0,0,0,0,0,0
5418 ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,0,0,,,,0,0
5419 CN1N(C(=O)C(=C1C)I)c2ccccc2,0,0,0,0,0,0,0
5420 NCc1ccc(cc1)S(=O)(=O)N,0,0,0,0,0,0,0
5421 CC12OC(CC1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n2c7c35,1,,,1,,1,1
5422 NCCNCCN,0,0,0,0,0,0,0
5423 COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C,0,,0,0,0,,0
5424 CCOC(=O)CC(CC(=O)OCC)(OC(=O)C)C(=O)OCC,0,0,0,0,0,0,0
5425 CCc1nccnc1CC,0,0,0,0,0,0,0
5426 ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl,0,0,0,0,,0,0
5427 CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C,,0,0,,,0,0
5428 CC(C)(C)c1ccccc1,0,0,0,0,0,0,0
5429 Cc1ccc(C)c(N)c1,0,0,0,0,0,0,0
5430 CC1(O)CSC(C)(O)CS1,0,0,0,,0,,0
5431 OC(=O)COCC(=O)O,0,0,0,0,0,0,0
5432 CCCOCCC,0,0,0,0,0,0,0
5433 CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,0,0,0,0,0,0,0
5434 NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3,0,,0,0,0,,0
5435 CC(O)C1NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5ccccc5)NC(=O)C(Cc6ccccc6)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CSSCC(NC(=O)C(CO)NC1=O)C(=O)O)NC(=O)CNC(=O)C(C)N)C(C)O,0,,0,0,0,,0
5436 OC(=O)C=Cc1ccc(C=CC(=O)O)cc1,0,0,0,0,0,0,0
5437 CCC[N+]1(C)CCCC1,0,0,0,0,0,0,0
5438 COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,1,1,,1,0,0,1
5439 CCCC1CCC(=O)CC1,0,0,,0,0,0,0
5440 C[N+]1([O-])CCOCC1,0,0,0,0,0,0,0
5441 CCN(CC)C1CCCCC1,0,0,0,0,0,0,0
5442 CCCCC(CC)COC(=O)Cl,0,0,0,0,0,0,0
5443 OCC(O)c1ccccc1,0,0,0,0,0,0,0
5444 CCCCCCc1ccc(cc1)c2ccc(cc2)C#N,0,,0,0,0,0,0
5445 CCCCOC(CC)OC(C)COC(O)CC,0,0,0,0,0,0,0
5446 CNCCCC1c2ccccc2C=Cc3ccccc13,0,0,0,0,,,0
5447 O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,,1,0,,0,,1
5448 CNC(=NC)NCc1ccccc1,0,,0,0,,,0
5449 CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,0,0,0,0,0,0,0
5450 O=C1c2ccccc2Cc3ccccc13,,1,0,,,0,1
5451 CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,0,0,0,0,0,,0
5452 COc1cc(cc(C(=O)NCC2CCCN2CC=C)c1OC)S(=O)(=O)N,,,0,0,0,,0
5453 CC[N+](C)(CC)CC,0,0,0,0,0,,0
5454 CCC[N+](CCC)(CCC)CCC,0,0,0,0,0,0,0
5455 COc1ccc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F,0,0,0,0,0,0,0
5456 CS(=O)(=O)Cl,0,0,0,0,0,0,0
5457 CC(=CC(=O)C)C,0,0,0,0,0,0,0
5458 ClCC1CO1,0,0,0,0,0,0,0
5459 CCc1cnc(C(=O)O)c(c1)C(=O)O,0,0,0,0,0,0,0
5460 O=C1c2ccccc2c3ccccc13,0,0,0,0,0,0,0
5461 CN(CCO)CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,0,,0,0,0,,0
5462 CCCCC(CC)COC(=O)OOC(C)(C)C,0,0,0,0,0,0,0
5463 CCCC=O,0,0,0,0,0,0,0
5464 Oc1ccc(Cl)cc1C(=O)c2ccccc2,,1,0,1,,0,1
5465 O=CC=Cc1ccccc1,0,,0,0,0,0,0
5466 Cc1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)N,1,,0,0,0,0,1
5467 NCCc1cc[nH]n1,0,0,,0,0,0,0
5468 COC1(NC(=O)CSCC(N)C(=O)O)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,0,0,0,0,0,0,0
5469 CCC(NC(C)C)C(O)c1ccc(O)c2nc(O)ccc12,0,0,0,0,0,0,0
5470 CC(C)(O)C#N,0,0,0,0,0,0,0
5471 CCC(C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C5CCC(O)(CC)C(C)O5)C(O)C=C3)C(C)CC2C)C(C)CC1C)C(=O)O,,,,0,,1,1
5472 Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2,1,,,1,,1,1
5473 COc1ccccc1OC(=O)Oc2ccccc2OC,0,0,0,0,,0,0
5474 OC(=O)C1(CCC1)C(=O)O,0,0,0,0,0,0,0
5475 O=C1c2ccccc2CCc3ccccc13,0,1,0,,0,0,1
5476 CC(C)CC#N,0,,0,0,0,0,0
5477 COC(=O)c1ccccc1C,0,0,0,0,0,0,0
5478 O=C(NCN1CCOCC1)c2cnccn2,0,0,0,0,0,0,0
5479 CC1(C)SC2C(N)C(=O)N2C1C(=O)O,0,,0,0,0,,0
5480 CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1,0,0,0,0,,0,0
5481 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,0,0,0,,0,0,0
5482 CCN(CC)C(=O)N(CC)CC,0,0,0,0,0,0,0
5483 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23,0,,0,1,0,0,1
5484 Nc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O,0,0,0,0,0,0,0
5485 OCCc1ccncc1,0,0,0,0,0,0,0
5486 Nc1cc(ccc1O)[N+](=O)[O-],0,0,0,,0,0,0
5487 CCOC(=O)C1=NOC(C1)(c2ccccc2)c3ccccc3,0,0,0,,0,0,0
5488 Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
5489 COC(=O)CCC(=O)O,0,0,0,0,0,0,0
5490 CC(=O)OC1CC2CCC3C(CCC4(C)C3CC(C4OC(=O)C)N5CC[N+](C)(C)CC5)C2(C)CC1N6CC[N+](C)(C)CC6,0,,0,0,0,,0
5491 [O-][N+](=O)c1cc[n+]([O-])cc1,1,,0,,,0,1
5492 CCN(CC)c1cccc(O)c1,,1,,0,0,0,1
5493 CCNc1nc(N)nc(Cl)n1,0,0,0,0,,0,0
5494 OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0
5495 CC(C)(C)c1cccc(c1O)C(C)(C)C,0,0,0,0,,0,0
5496 CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0,0,0,0,0,0,0
5497 O=C(CN1CCN(Cc2ccc3OCOc3c2)CC1)N4c5ccccc5Sc6ccccc46,,0,,0,,,0
5498 CC(NCCc1ccc(O)cc1)C(O)c2ccc(O)cc2,0,,0,0,,,0
5499 [O-][N+](=O)c1ccc(CBr)cc1,0,0,0,0,0,,0
5500 CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,1,1,0,1,,0,1
5501 C=CC#N,0,0,0,0,0,0,0
5502 CCCCC(=O)OCC(=O)C1(O)CC(OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1,1,1,1,1,,,1
5503 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)O,0,0,0,0,0,,0
5504 Nc1ccncc1,0,0,0,0,0,0,0
5505 CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2,0,,0,0,0,,0
5506 CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3,,,0,,,,0
5507 CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,0,0,0,0,0,0,0
5508 Cc1cccc(c1)C(=O)O,0,0,0,0,0,0,0
5509 OC(CC(=O)O)C(=O)O,0,0,0,0,0,0,0
5510 CNCCCC12CCC(c3ccccc13)c4ccccc24,1,,0,,,1,1
5511 CCCCCCCCCCCCC1CO1,0,0,0,0,0,0,0
5512 CC(C)(C)NSc1nc2ccccc2s1,,0,0,1,0,1,1
5513 CC(C)(C)C(O)C=Cc1ccc2OCOc2c1,,0,0,0,0,0,0
5514 CC1OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC2(O)CC(O)C(C(CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC(C)C(O)C1C)O2)C(=O)O,0,0,,0,0,,0
5515 OC(=O)c1ccccc1C(=C2C=C(I)C(=O)C(=C2)I)c3cc(I)c(O)c(I)c3,,1,1,0,,,1
5516 CCCC(=O)OC(C)(C)Cc1ccccc1,0,0,0,0,0,0,0
5517 CC(=O)C=CC1C(=CCCC1(C)C)C,0,0,0,0,0,0,0
5518 ClCCOCCCl,0,0,0,0,0,0,0
5519 CC=C(C)C(=O)OCCc1ccccc1,0,0,0,0,0,0,0
5520 CN1C2CCC1CC(C2)OC(=O)c3cc(C)cc(C)c3,,,0,0,,,0
5521 CC(N(O)C(=O)N)c1cc2ccccc2s1,0,0,0,0,0,,0
5522 NC1=C(NCC=CCOc2cc(CN3CCCCC3)ccn2)C(=O)C1=O,0,0,0,0,0,0,0
5523 Brc1c2ccccc2c(Br)c3ccccc13,,,1,0,0,1,1
5524 Cc1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)cc4C,0,1,1,,0,0,1
5525 NC(=O)c1ccccc1C(=O)N,0,0,0,0,,0,0
5526 COC1COCCC1NC2CCC(C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F,0,,0,0,0,0,0
5527 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)Cn3nnc(C)n3)c4csc(N)n4,0,0,0,0,0,0,0
5528 OCCCCCCCl,0,0,0,0,0,0,0
5529 Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1,,,,1,,,1
5530 OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,0,0,0,0,,,0
5531 Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,,,,0,0,1,1
5532 CC(=C)c1cccc(c1)C(=C)C,0,0,0,0,0,0,0
5533 OCC1OC(C(O)C1O)n2cnc3c(S)ncnc23,1,1,1,1,,,1
5534 Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],,,1,,,1,1
5535 CC(C)(C)C1CCC(O)CC1,0,0,0,0,0,0,0
5536 CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,0,,1
5537 OP(=O)(O)OP(=O)(O)O,0,0,0,0,0,0,0
5538 CCCCCC1CCC(=O)O1,0,0,0,0,0,0,0
5539 BrCBr,0,0,0,0,0,0,0
5540 S=C=NCc1ccccc1,,,0,0,0,1,1
5541 COc1ccccc1OCC2CNC(=O)O2,0,0,0,0,0,0,0
5542 COc1c(c(C)c(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],0,1,0,,0,0,1
5543 CN=C=S,0,0,0,0,0,0,0
5544 CCOc1ccc(NC(=O)C)cc1,0,0,0,0,0,0,0
5545 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,0,0,0,0,0,0,0
5546 CC1(C)N(Br)C(=O)N(Cl)C1=O,0,0,0,0,0,0,0
5547 CCC(=O)OC1(CCN(C)CC1C)c2ccccc2,0,,0,0,,,0
5548 COc1cc(ccc1N)c2ccc(N)c(OC)c2,1,,0,,0,0,1
5549 Clc1ccc(cc1)C(=O)NCCCN2CCOCC2,,,0,,0,0,0
5550 OC(=O)C1(CC1)C(=O)Nc2ccc(Cl)cc2Cl,1,,0,,1,1,1
5551 CC1=CC(=O)C2CC1C2(C)C,0,0,0,0,0,0,0
5552 FC(F)(F)C(=O)Nc1ccc2c(Cc3ccccc23)c1,,1,0,1,0,0,1
5553 Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c3ccccc3)c(C)c1,0,,0,0,0,0,0
5554 CCCCCCCCCC[n+]1ccn(CCCCCCCCCC)c1C,1,1,,1,,,1
5555 CCC(=O)OC1(C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CCl,1,,1,,1,,1
5556 C[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
5557 CC(C)NCC(O)COc1cc(C)c(OC(=O)C)c(C)c1C,1,1,1,1,0,,1
5558 CCCCCC=CCCC=O,0,0,0,0,0,0,0
5559 Oc1c(ccc2c(cccc12)S(=O)(=O)O)[N+]#N,0,,0,0,0,0,0
5560 Cc1ccc(S)cc1,0,,0,0,0,,0
5561 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12,0,0,0,0,0,0,0
5562 CC12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2(O)C#C,1,1,1,0,1,,1
5563 CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12,1,,0,,,1,1
5564 Oc1cc2CC3(O)COc4c(O)c(O)ccc4C3c2cc1O,,,0,,,0,0
5565 CCCCCCO,0,0,0,0,0,0,0
5566 COc1cc2CC[N+](C)(CCCOC(=O)CCC=CCCC(=O)OCCC[N+]3(C)CCc4cc(OC)c(OC)cc4C3Cc5cc(OC)c(OC)c(OC)c5)C(Cc6cc(OC)c(OC)c(OC)c6)c2cc1OC,0,,0,0,0,,0
5567 COCC(C)O,0,0,0,0,0,0,0
5568 O=C(OCc1ccccc1)N=NC(=O)OCc2ccccc2,,1,0,,,,1
5569 CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F,1,1,0,0,,,1
5570 COc1cc(CC(C)N)cc2OCOc12,0,,0,0,0,0,0
5571 CC1=CN(C(=O)C=C1)c2ccccc2,0,0,0,0,,0,0
5572 CCCOC(=O)c1ccccc1O,0,,0,0,,,0
5573 Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O,0,0,0,0,0,0,0
5574 ClC(=C(Cl)Cl)Cl,0,,0,0,0,0,0
5575 CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(=O)C)(C(C(OC)C23)C14)C5C6OC(=O)c7ccccc7,0,,0,0,0,,0
5576 CCOC(=O)C=CC(=O)O,0,0,0,0,,0,0
5577 C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,1,1,,,,1,1
5578 CN(C)CCN(C)C,0,0,,0,0,0,0
5579 CC(=O)OC1CC2CCC3C(CCC4(C)C3CC(C4OC(=O)C)[N+]5(C)CCCCC5)C2(C)CC1[N+]6(C)CCCCC6,0,,0,0,0,,0
5580 CC(=O)OC1CCCCC1C(C)(C)C,0,0,0,0,0,0,0
5581 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C,1,,1,0,0,0,1
5582 Cc1cc(C)cc(OCC2CNC(=O)O2)c1,0,0,0,0,0,0,0
5583 CC=CC(=O)O,0,0,0,0,0,0,0
5584 C=CCCC=C,0,0,0,0,0,0,0
5585 CN(CCOc1ccc(NS(=O)(=O)C)cc1)CCc2ccc(NS(=O)(=O)C)cc2,1,,1,1,0,0,1
5586 COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl,,1,1,,1,,1
5587 CC(C)(C)NC(=O)C=C,0,0,0,0,,0,0
5588 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2,,0,0,1,0,0,1
5589 CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,0,0,0,0,0,0,0
5590 CCN(CC)C(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34,0,,0,0,,0,0
5591 Nc1ccccc1C(=O)Oc2ccc3ccccc3c2,1,1,0,1,,0,1
5592 Cc1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],0,0,0,,,,0
5593 CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
5594 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,0,0,0,0,0,0,0
5595 NCCS(=O)(=O)O,,0,0,0,0,0,0
5596 OC(=O)c1ccc(OCCn2ccnc2)cc1,0,,0,0,0,,0
5597 ClC(Cl)(Br)Br,0,0,0,0,,0,0
5598 [O-][N+](=O)c1ccc(CCl)cc1,0,,0,0,0,,0
5599 NCCOCCN,0,0,0,0,0,0,0
5600 Clc1ccccc1Nc2nc(Cl)nc(Cl)n2,0,0,0,0,0,0,0
5601 CC(C)OC(=O)CCC(=O)OC(C)C,0,0,0,0,0,0,0
5602 CCC(C)(C)C(=O)O,,0,0,0,0,0,0
5603 CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12,0,0,0,0,0,0,0
5604 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2,,0,0,,,0,0
5605 CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,0,0,0,0,0,0,0
5606 CCC=CCC=CCC=CCCCCCCCC(=O)O,0,0,,0,,1,1
5607 CN(N=O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,,0
5608 Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(=O)(=O)N,0,0,0,0,0,0,0
5609 OC(=O)c1ccc2C(=O)OC(=O)c2c1,0,0,0,0,0,0,0
5610 O=C(C(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
5611 C1CCCNCCC1,0,0,0,0,0,0,0
5612 Oc1nc2ccccc2n1CCCN3CCC(CC3)n4c(O)nc5cc(Cl)ccc45,,1,0,0,,0,1
5613 CC(C)CCOC(=O)C,0,0,0,0,0,0,0
5614 CCOC(=O)Cn1cccc1c2nc(c3ccc(OC)cc3)c(s2)c4ccc(OC)cc4,0,,0,0,,0,0
5615 Fc1ccc(C=O)cc1,0,0,0,0,0,0,0
5616 BrCC=C,0,0,0,,0,0,0
5617 CC(=C)C1CC=C(C)C(=O)C1,0,0,0,0,0,0,0
5618 Nc1nc(O)c2c(CCc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)c[nH]c2n1,0,,0,0,,,0
5619 CC(C)NC(C)Cc1ccc(I)cc1,0,,0,0,,,0
5620 OCC(O)C(CO)OCn1ccnc1[N+](=O)[O-],0,0,0,0,0,0,0
5621 Nc1ccc(cc1)S(=O)(=O)N,0,0,0,0,0,0,0
5622 CC1=CN(C2OC(CO)C=C2)C(=O)NC1=O,0,0,0,0,0,0,0
5623 OC(=O)CCCCCCCCC=C,0,0,0,0,,0,0
5624 Clc1nc(Cl)nc(Cl)n1,0,0,0,0,0,0,0
5625 CC(=O)OCCN(CCOC(=O)C)c1ccc(cc1)N=Nc2ccc(cc2C#N)[N+](=O)[O-],1,,,0,,,1
5626 CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,0,,0,0,,0,0
5627 NC(=O)c1ccncc1,0,0,0,0,0,0,0
5628 FC(F)(F)c1ccc(Cl)cc1,0,0,0,0,0,0,0
5629 CC(C(=O)O)c1ccc(C=C2CCCCC2=O)cc1,,1,0,1,0,1,1
5630 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl,,,,0,,,0
5631 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,0,0,0,0,,0,0
5632 CCOC(=O)CS,,0,0,,,,0
5633 CC1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3,1,1,,,1,,1
5634 C1CN(CCN1)c2cccc3OCCOc23,0,0,0,0,0,0,0
5635 CCC1C(Cc2cncn2C)COC1=O,0,0,0,0,0,0,0
5636 CCCCC(CC)COP(=O)(O)O,1,1,,0,,1,1
5637 C(Oc1ccccc1C2CC2)C3=NCCN3,0,0,0,0,0,0,0
5638 C1c2cccc3ccc4cccc1c4c23,0,,,0,,0,0
5639 CN1CSC(=S)N(C)C1,1,1,1,,,,1
5640 NC1CCCCC1N,0,0,0,0,,0,0
5641 CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0,0,0,0,0,0,0
5642 CN(C)CCCN1c2ccccc2C(C)(C)c3ccccc13,0,,0,0,,,0
5643 OC(=O)c1ccc(C=O)cc1,0,0,0,0,0,0,0
5644 CCNc1nc(Cl)nc(NCC)n1,0,0,0,0,0,0,0
5645 CCOc1cc(OCC)c(cc1OCC)C(=O)C,0,,0,,0,0,0
5646 CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,0,,0,0,0,,0
5647 CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,1,,1,0,0,0,1
5648 COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1,,1,,,,1,1
5649 O=CC=C(c1ccccc1)c2ccccc2,1,1,0,,,,1
5650 CCOC(=O)C=C,0,0,0,0,0,0,0
5651 COc1ccccc1N=Nc2c(O)c3c(NC(=O)C)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O,,,0,,,0,0
5652 CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,1,1,0,0,,1,1
5653 COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2,1,1,,,1,1,1
5654 CCOC(=O)NNc1ccc(nn1)N(CC)CC(C)O,0,0,0,0,0,0,0
5655 CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,0,0,0,,,0,0
5656 CC1(C)Cc2cccc(O)c2O1,0,0,0,0,0,0,0
5657 OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O,0,0,0,0,0,0,0
5658 S=C(SSC(=S)N1CCCCC1)N2CCCCC2,,1,,,,,1
5659 CCOC(=O)C(CCc1ccccc1)NC2CSC(CN(CC(=O)O)C2=O)c3cccs3,0,0,0,0,,,0
5660 Cc1cccc2ccccc12,0,0,0,0,0,0,0
5661 FC(F)(F)c1cnc(CNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1,,1,,,,,1
5662 CCCCN1CCCC1C(=O)Nc2c(C)cc(C)cc2C,0,,0,0,0,0,0
5663 Cc1ccc(cc1)C(C)(C)O,0,0,0,0,0,0,0
5664 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4,0,,0,0,,,0
5665 CC(C)(Nc1nc(Cl)nc(NC2CC2)n1)C#N,0,,0,0,0,0,0
5666 CC1=C(C=O)C(C)(C)CC=C1,0,0,0,0,0,0,0
5667 CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,,0,0,0,,,0
5668 CCCCCCCOC(=O)CCC,0,0,0,0,0,0,0
5669 CCCCNCC,0,0,0,0,0,0,0
5670 OCC(O)CN1CCN(CC1)c2ccccc2,0,0,0,0,0,0,0
5671 CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCCC,0,0,0,0,,,0
5672 CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)c3cc(C)ccc3C,1,0,,,,0,1
5673 CCC(C)S,0,0,0,0,0,0,0
5674 CCCCCC1CCCC(=O)O1,0,0,0,0,0,0,0
5675 CC(C)CCCCCCN,0,0,0,0,0,0,0
5676 C=COCCOCCOC=C,0,0,0,0,0,0,0
5677 CC(c1c[nH]cn1)c2cccc(C)c2C,0,,0,1,0,,1
5678 CCOC(=O)N,0,0,0,0,0,0,0
5679 CCC(CC)Nc1c(cc(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-],0,0,0,,,0,0
5680 CCCCCCC,,0,0,0,0,0,0
5681 Cc1ccccc1CCl,0,0,0,0,0,0,0
5682 O=C1CCCCCCCCCCCCCCCO1,0,,0,,0,0,0
5683 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,0,0,,0,1,0,1
5684 OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,1,1,,,,1,1
5685 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1C(=O)COC(=O)C(C)(C)C,1,,1,1,,,1
5686 C1CN(CCO1)Sc2nc3ccccc3s2,,,0,,0,0,0
5687 O=S1(=O)CCCC1,0,0,0,0,0,0,0
5688 Cc1cccc(C)c1NC(=O)CC23CCCN2CCC3,,0,0,1,,0,1
5689 CCCCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,1,1,1,0,,,1
5690 ClCN1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0
5691 CCCCCC(=O)N,0,0,0,0,0,0,0
5692 CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12,0,,0,0,0,,0
5693 CN1N=C(N)c2cn(C3OC(CO)C(O)C3O)c4ncnc1c24,1,1,,1,,0,1
5694 OP(=O)(O)CP(=O)(O)O,0,,0,0,0,,0
5695 BrCc1cccc(Oc2ccccc2)c1,,1,,0,0,0,1
5696 CCc1ccc(cc1)C(=O)C(C)CN2CCCCC2,0,0,0,,,0,0
5697 CC(C)(C)Cl,0,0,0,0,0,0,0
5698 CNc1c2CCCCc2nn1C,0,0,0,0,0,0,0
5699 CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO,1,,1,1,0,0,1
5700 CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl,0,0,0,0,0,0,0
5701 CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,0,0,0,0,0,0,0
5702 FC(F)(F)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
5703 CC1(C)CCC=C2C(C)(C)C3CCC12C3,0,0,0,1,,0,1
5704 CCOC(=O)CP(=O)(OCC)OCC,0,0,0,0,0,0,0
5705 OC(=O)c1cc(nc2ccccc12)c3ccccc3,,0,0,1,0,1,1
5706 O(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
5707 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,0,0,0,0,0,0,0
5708 CC(CCO)CCCC(C)(C)O,,,0,0,1,0,1
5709 CC(=CCCC(=C)C=C)C,0,0,0,0,0,0,0
5710 Oc1c(Br)cc(Br)cc1Br,,,0,0,,1,1
5711 CCC(=O)N(C1CCN(CC(O)c2ccccc2)CC1)c3ccccc3,0,0,0,0,,,0
5712 Oc1ccc(C(=O)c2ccccc2)c(O)c1,,1,0,0,,0,1
5713 OC(=O)c1ccccc1Cl,0,0,0,0,0,0,0
5714 CCOc1ccc(cc1)C(=O)OCCN(CC)CC,0,0,0,0,0,0,0
5715 OCc1oc(C=O)cc1,0,0,0,0,0,0,0
5716 OCCN(CCO)c1cccc(Cl)c1,0,0,0,0,0,0,0
5717 CCCCC1CCCCC(=O)O1,0,0,0,0,,,0
5718 CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,0,0,0,0,0,0,0
5719 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1,0,,,1,,,1
5720 ClCCOP(OCCCl)OCCCl,0,0,0,0,0,0,0
5721 CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,1,1,1,1,,1,1
5722 Cc1ccccc1Br,0,0,0,0,0,0,0
5723 S=C(SSSSSSC(=S)N1CCCCC1)N2CCCCC2,,1,,,,,1
5724 Cc1ccc(cc1)N(CCO)CCO,0,0,0,0,,0,0
5725 CC(=O)CCC(=O)C,0,0,0,0,0,0,0
5726 Cc1ccc(C=C2C3CCC(C2=O)C3(C)C)cc1,0,1,0,0,,,1
5727 CCCCCC=CC=CC(=O)OCC,,1,1,,,,1
5728 N#Cc1ccc(cc1)C2CCCc3cncn23,0,,0,1,0,0,1
5729 CC(C)OP(=O)(C)OC(C)C,0,0,0,0,0,0,0
5730 COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,1,1,1,,,0,1
5731 OC(=O)COc1nc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0
5732 CCOC(=O)C(Cl)C(=O)C,0,0,,0,0,1,1
5733 OC(C1CN2CCC1CC2)(c3ccccc3)c4ccccc4,0,,0,0,,,0
5734 ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,,1,,,,,1
5735 SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,0,0,,0,0,,0
5736 Cc1cccc(C)c1[N+](=O)[O-],0,0,,0,,0,0
5737 CC1=CC2C(C1)C3CC2C(=C3)C,0,0,0,0,0,0,0
5738 CCOP(O)OCC,0,0,0,0,0,0,0
5739 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2Cc3cc(OC)c(OC)cc3CC2C(=O)O,,0,0,0,0,0,0
5740 C1CCc2nccnc2C1,0,0,0,0,0,0,0
5741 CC(C)C(=O)c1ccccc1,0,0,0,0,0,0,0
5742 CCCCC=O,0,0,0,0,0,0,0
5743 CCC=CCCOC(=O)C(C)C,0,0,0,0,0,0,0
5744 CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1,,1,0,0,0,0,1
5745 CCCCCCCCCCCCCC(=O)OC(C)C,0,0,0,0,0,0,0
5746 NC(=O)CI,0,0,0,,,0,0
5747 CCC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,0,,0,0,0,,0
5748 CCN(Cc1ccccc1)c2ccccc2,0,,,0,,0,0
5749 COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2,0,0,0,0,0,0,0
5750 ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl,0,0,0,0,,0,0
5751 CC1CCCC(C)N1,0,0,0,0,0,0,0
5752 CCOc1cc(OP(=S)(OC)OC)nc(CC)n1,0,0,0,0,0,0,0
5753 CC(Cc1ccccc1)NC=O,0,,0,0,0,,0
5754 ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,0,0,0,0,0,0,0
5755 OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(=O)O,0,,0,0,0,,0
5756 Nc1oc2ccc(Cl)cc2n1,0,0,,0,0,0,0
5757 O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3,0,0,0,0,,1,1
5758 COC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2ccccc2[N+](=O)[O-])O,0,0,1,1,,0,1
5759 CC(C)C(=O)C,0,0,0,0,0,0,0
5760 CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,,0,1,,0,,1
5761 CCCCCCCCCCCC[N+](C)(C)CC(=O)O,,,,0,,,0
5762 Oc1ccccc1C(=O)c2ccccc2,0,0,0,,0,0,0
5763 CCCOCC(C)OCC(C)O,0,0,0,0,0,0,0
5764 CCOCCC(=O)OCC,0,0,0,0,0,0,0
5765 NC(=O)N1c2ccccc2CC(=O)c3ccccc13,0,0,0,0,,0,0
5766 Cc1cc(ccc1N=Nc2c(O)ccc3ccccc23)S(=O)(=O)O,,,0,,,0,0
5767 CNCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc2c[nH]cn2)C(=O)N3CCCC3C(=O)NC(C)C(=O)O,0,,0,0,0,,0
5768 S=C=Nc1ccccc1,0,0,0,0,0,0,0
5769 CCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,0,,0,,0,,0
5770 CCOc1ccc(cc1)N=Nc2ccc(C=Cc3ccc(cc3S(=O)(=O)O)N=Nc4ccc(OCC)cc4)c(c2)S(=O)(=O)O,0,0,0,0,,0,0
5771 CCCCCCCCCCCCCCn1cc[n+](C)c1,1,1,,1,1,,1
5772 Cc1ccc(N)c(C)c1,0,0,0,0,0,0,0
5773 OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,,,0,,1,1,1
5774 CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,0,,0,0,0,,0
5775 CN(C)CCOC(=O)c1ccc2c(c1)c(C)c(C)n2CCN(C)C,1,1,,1,,0,1
5776 CC(C)(C)NC(=O)N,0,0,0,0,0,0,0
5777 Oc1ccc(Cl)c(Cl)c1,,1,0,0,,0,1
5778 CC1=CC=CN2C(=O)C(=CN=C12)c3nn[nH]n3,0,0,0,0,0,0,0
5779 C1CCC(CC1)C2CCCCC2,0,0,0,0,,0,0
5780 CC(C)(C)c1cc(CCC(=O)NN)cc(c1O)C(C)(C)C,0,0,0,0,0,0,0
5781 ClC(=O)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl,0,0,0,0,0,0,0
5782 COc1c(OC2OC(CO)C(O)C(O)C2O)cc3CCC(NC(=O)C)C4=CC(=O)C(=CC=C4c3c1OC)SC,0,,0,0,0,,0
5783 CCCC(NC(C)C(=O)N1C2CCCCC2CC1C(=O)O)C(=O)OCC,0,0,0,0,0,0,0
5784 OC(=O)COc1ccccc1,0,0,0,0,0,0,0
5785 COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C,0,0,0,0,,0,0
5786 CN(C)c1ccc(N)cc1,,1,,,,0,1
5787 CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C,1,,0,0,0,,1
5788 CCCC=CCO,0,,0,0,0,0,0
5789 CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O,0,0,0,0,0,0,0
5790 NC(=S)NN=Cc1cccnc1,0,0,0,0,0,0,0
5791 O=C(C(=O)c1occc1)c2occc2,0,0,0,0,0,0,0
5792 COc1ccccc1C=CC=O,1,0,0,,,0,1
5793 CC(=O)Oc1ccc(C=C)cc1,0,,0,0,0,0,0
5794 Brc1nc2ccccc2s1,0,0,0,0,0,0,0
5795 CN(C1CCN(CC1)c2nc3ccccc3n2Cc4ccc(F)cc4)c5nccc(O)n5,0,,0,0,0,0,0
5796 CC(C)(OO)c1ccccc1,,0,0,0,,0,0
5797 ClS(=O)(=O)Cl,0,,0,0,0,0,0
5798 CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0,0,0,0,0,0,0
5799 Nc1nc(O)c2ncn(COCCO)c2n1,0,0,0,0,0,0,0
5800 CCOC(=O)C(=O)OCC,0,0,0,0,0,0,0
5801 CCCCCC=CCC1CC(=O)OC1=O,0,0,0,0,0,0,0
5802 CC(=O)Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(OC(=O)C)cc3,0,,0,0,0,1,1
5803 CCCC[P+](C)(CCCC)CCCC,0,,0,0,0,0,0
5804 CCC(C)c1ccccc1O,0,0,0,0,0,0,0
5805 CCCCCCOC(=O)c1cccnc1,0,,0,0,0,,0
5806 CCN(CC)CCOc1ccc(cc1)c2nc3cc(Cl)ccc3s2,1,1,,,,,1
5807 COc1ccc(OC)c(c1)C(O)CNC(=O)CN,0,0,0,0,0,0,0
5808 Fc1ccc(cc1)C(=O)CCCN2CCN3CCCC3C2,0,,0,0,0,,0
5809 Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,1,1,,,,0,1
5810 ClCC#N,,,0,0,0,0,0
5811 CC(=O)OC1C(C)(C)C2CCC1(C)C2,0,0,0,0,0,0,0
5812 [O-][N+](=O)c1ccc2C(=O)NNC(=O)c2c1,0,0,0,0,0,0,0
5813 c1ccc(cc1)c2ccccc2,0,0,0,0,0,0,0
5814 C1CN=C(NC(C2CC2)C3CC3)O1,0,0,1,0,1,,1
5815 ONC(=O)CCCCCCC(=O)Nc1ccccc1,1,1,1,,1,0,1
5816 CC(O)C(O)C1CNc2nc(N)nc(O)c2N1,,,0,0,0,,0
5817 CCCCCCCCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0
5818 COc1ccc(CCO)cc1,,0,0,0,0,0,0
5819 COc1ccc(O)c(c1)C(C)(C)C,0,0,0,0,0,0,0
5820 CNC(C)CC1CCCCC1,0,,0,0,0,,0
5821 CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C,0,0,0,0,0,0,0
5822 Brc1ccc(cc1)C(=O)C(=O)c2ccc(Br)cc2,0,0,0,0,0,0,0
5823 ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,,0,,,,,0
5824 CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNC(C)c7ccccc7,1,,0,0,,,1
5825 OC(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
5826 CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl,1,1,,,,1,1
5827 CC(C)(c1ccccc1)c2ccc(O)c(c2)C(C)(C)c3ccccc3,1,,,,1,,1
5828 CCCCCC1=CCCC1=O,0,0,0,0,0,0,0
5829 CCCN,0,0,0,0,0,0,0
5830 CC(C)CC(CN)CC(=O)O,0,,0,0,0,,0
5831 CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1,0,,0,0,0,0,0
5832 COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO,1,1,,,,1,1
5833 COC1CC(OC2CC(OC2C3(C)CCC(O3)C4(C)CCC5(CC(O)C(C)C(O5)C(C)C6OC(O)(CC(=O)O)C(C)C(OC)C6OC)O4)C7OC(C)(O)C(C)CC7C)OC(C)C1OC,,,1,0,,,1
5834 CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc4ccccc14,,1,,,1,0,1
5835 CCCC(C)c1ccccc1O,,0,,,,0,0
5836 S=C(NC1CCCCC1)NC2CCCCC2,,1,0,,0,0,1
5837 CN=C1CN(O)C(=C2C=C(Cl)C=CC2=N1)c3ccccc3,0,,0,0,0,,0
5838 CC1CCC=C2CCC(CC12C)C(=C)C,0,0,,1,0,,1
5839 CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,1,0,,0,0,0,1
5840 CC1=C(O)C(=O)C=CO1,0,0,0,0,,0,0
5841 CS(=O)(=O)OCCCCOS(=O)(=O)C,0,0,0,0,0,0,0
5842 Clc1ccc(cc1)C(C#N)c2c(Cl)cc(cc2Cl)N3N=CC(=O)NC3=O,,1,1,1,,,1
5843 CN1CCN(CC1)C(c2ccccc2)c3ccccc3,0,0,0,0,0,0,0
5844 CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13,0,0,0,0,,0,0
5845 Fc1ccc(C(=O)NOCC2CC2)c(Nc3ccc(I)cc3Cl)c1F,,1,,,,1,1
5846 CC(N)C(O)c1ccccc1,0,0,0,0,0,0,0
5847 Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0
5848 CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C,0,,0,0,0,0,0
5849 CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],1,1,,,1,0,1
5850 CCCCCCCCCCCCCCCCCC#N,0,0,0,0,0,0,0
5851 OCCOCCOCCO,0,0,0,0,0,0,0
5852 OCc1oc(cc1)C(=O)O,0,0,0,0,,0,0
5853 OC(=O)Cc1ccccc1Oc2ccc(Cl)cc2Cl,0,0,0,0,0,,0
5854 CC1CCC2(OC1)OC3CC4C5CCC6CC(O)CCC6(C)C5CC(=O)C4(C)C3C2C,0,0,0,0,,0,0
5855 Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1,1,,,0,,1,1
5856 C(Nc1[nH]cnc2ncnc12)c3ccccc3,,1,0,0,0,0,1
5857 CC(=O)NNC(=O)C,0,0,0,0,0,0,0
5858 OC(=O)c1cc(I)cc(I)c1I,0,0,0,1,,1,1
5859 CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,0,0,0,0,0,0,0
5860 Fc1ccc(NC(=O)c2cccnc2Oc3cccc(c3)C(F)(F)F)c(F)c1,,0,0,0,0,0,0
5861 COC(=C1C(C(=C(C)N=C1C)C(=O)OC2CCN(Cc3ccccc3)C2)c4cccc(c4)[N+](=O)[O-])O,1,1,,,,,1
5862 O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1,0,0,0,0,0,0,0
5863 CC(C)c1nnc2ccc(cn12)c3ocnc3c4cc(F)ccc4F,,1,0,1,0,,1
5864 CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13,,0,0,,,,0
5865 FC(F)OC(F)(F)C(F)Cl,0,0,0,0,,0,0
5866 CN(C)CCc1ccc(O)cc1,0,0,0,0,0,0,0
5867 Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-],,,0,0,0,0,0
5868 CCOC(=O)c1ccc(C)cc1,0,0,0,0,0,0,0
5869 CCC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,,1,,,,,1
5870 COC(C)(C)OC,0,0,0,0,0,0,0
5871 CC(Cc1ccccc1)(NC(=O)CN)c2ccccc2,0,0,0,0,,0,0
5872 CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(Cc6ccccc6)NC1=O)C(C)C,1,,,,,,1
5873 CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C,0,0,0,0,0,0,0
5874 NC(=N)NCCN1CCCCCCC1,0,0,0,0,0,0,0
5875 OCC(O)COC(=O)c1ccccc1Nc2ccnc3c(cccc23)C(F)(F)F,,,,,,1,1
5876 OC(=O)c1cccc(O)c1,0,0,0,0,0,0,0
5877 O=NN1CCCCC1,0,0,0,0,0,0,0
5878 OS(=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3,0,0,0,0,0,0,0
5879 CC1C=CC=C1,0,0,0,0,0,0,0
5880 NC(=S)Nc1cccc2ccccc12,0,0,0,0,0,0,0
5881 CCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C,0,0,0,0,0,0,0
5882 Clc1ccc(C(Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1,1,,,1,,,1
5883 C=COCCOCCOCCOC=C,0,0,0,0,0,0,0
5884 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N(CC(=O)O)C2Cc3ccccc3C2,,0,0,0,0,0,0
5885 CCCCCCCCN(C)C,0,0,0,0,0,0,0
5886 OC(=O)C1CCC(CC1)C(=O)O,,0,0,0,0,0,0
5887 CCCC(C)CC,0,0,0,0,0,0,0
5888 CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F,0,,0,0,0,,0
5889 CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C,0,0,0,0,0,0,0
5890 ON=O,,0,0,0,0,0,0
5891 Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C,,0,0,0,0,1,1
5892 Nc1ccc(NC(=O)c2ccc(N)cc2)cc1,,0,0,0,0,0,0
5893 Nc1ccccc1C(=O)OCC=C,0,0,0,0,0,0,0
5894 CC(=C)C(=O)OCCOC(=O)C(=C)C,0,0,0,0,0,0,0
5895 CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O,0,,0,0,0,,0
5896 NC(Cc1cc(I)c(O)c(I)c1)C(=O)O,0,0,0,0,0,0,0
5897 CCCCN,0,0,0,0,0,0,0
5898 CC(C)(CO)C(O)C(=O)NCCCO,0,0,0,0,0,0,0
5899 O=Cc1ccc2OCOc2c1,,,,0,0,0,0
5900 ClC(Cl)Cl,0,,0,0,0,0,0
5901 CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O)OC(=O)CCC(=O)O,0,0,0,0,0,,0
5902 CC(=O)C1C(CC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C#N,0,,1,,,0,1
5903 CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-],1,,1,1,,,1
5904 CN=CNc1ccc(C)cc1C,0,0,0,0,0,0,0
5905 CC(C)C(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SSC(=C(C)N(Cc2cnc(C)nc2N)C=O)CCOC(=O)C(C)C,0,0,0,0,0,0,0
5906 c1ccc2[nH]cnc2c1,0,0,0,0,0,0,0
5907 CC[N+]1(C)CCCC1,0,0,0,0,0,0,0
5908 CN(C)CCc1c[nH]c2ccccc12,0,0,0,0,0,0,0
5909 CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl,0,0,,0,0,0,0
5910 CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1,0,0,0,0,0,0,0
5911 C[N+](C)(CCOc1ccccc1)Cc2cccs2,0,0,0,0,0,0,0
5912 CC1(C)N(Cl)C(=O)N(Cl)C1=O,0,0,0,0,0,0,0
5913 CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],0,,0,,0,,0
5914 CCN1CCCC1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC,0,0,0,,,,0
5915 NC(COP(=O)(O)O)C(=O)O,,0,0,0,0,0,0
5916 CCCCCCCCCCOc1cc2c(O)c(cnc2cc1OCC)C(=O)OCC,0,0,0,0,0,0,0
5917 CCC12CCC3C(CCC4=CC(=NO)CCC34)C1CCC2(OC(=O)C)C#C,1,1,1,,,,1
5918 OC(=O)c1cc(O)c2ccccc2c1O,,,1,,,,1
5919 OCCCl,0,0,0,0,0,0,0
5920 CC(C)CC(=O)O,0,,0,0,,,0
5921 CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CO,1,1,1,1,,0,1
5922 CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C,,0,,0,,0,0
5923 OCC(CO)NC1CC(O)(CO)C(O)C(O)C1O,0,0,0,0,0,0,0
5924 CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35,0,0,0,0,0,0,0
5925 Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3C(=O)c12,,,0,0,,0,0
5926 CC(C)CCCC(=O)O,,0,0,0,0,0,0
5927 COc1ccc(cc1)c2nc3cc(ccc3[nH]2)C4=NNC(=O)CC4C,1,,1,1,,,1
5928 NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2(F)F,1,1,0,0,,1,1
5929 OC(=O)CP(=O)(O)O,0,0,0,0,0,0,0
5930 CCOP(OCC)OCC,0,0,0,0,0,0,0
5931 OC(=O)CNCC(=O)O,0,0,0,0,0,0,0
5932 ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl,,,,,,0,0
5933 CC(=C(CCO)SSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCO)N(Cc2cnc(C)nc2N)C=O,0,0,0,0,0,0,0
5934 CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,0,0,0,0,0,0,0
5935 CC1C2Cc3ccc(O)cc3C1(C)CCN2C,,,0,0,0,0,0
5936 CC1=CC(O)CC(C)(C)C1,0,0,0,0,0,0,0
5937 Oc1cccc(c1)c2c3C=Cc(n3)c(c4cccc(O)c4)c5ccc([nH]5)c(c6CCc([nH]6)c(c7cccc(O)c7)c8ccc2n8)c9cccc(O)c9,1,,,,,,1
5938 CCC(=O)C=CC,,0,,0,0,0,0
5939 Cc1cc(C)cc(O)c1,0,0,0,0,0,0,0
5940 OC1C(Cc2ccc(cc2)c3ccccc3)COc4cc(ccc14)C5(CCCC5)C(=O)O,,,,0,,,0
5941 Nc1nc(cs1)C(=NO)C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)C=C,0,,0,0,0,,0
5942 N#Cc1ccc(cc1)C(c2ccc(cc2)C#N)n3cncn3,,0,0,1,0,0,1
5943 OC(C(O)C(=O)O)C(=O)O,0,0,0,0,0,0,0
5944 CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2,0,1,0,0,,0,1
5945 CN(C)c1ccc(cc1)N=Nc2ccccc2,1,1,,,1,,1
5946 C1C=CC2C3CC(C=C3)C12,0,0,0,0,0,0,0
5947 CC(=O)C(Cl)(Cl)Cl,,1,,,1,,1
5948 COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2,0,0,0,0,0,0,0
5949 CCOP(=O)(OCC)N=C1SCCS1,0,0,0,0,0,0,0
5950 CCCCCCC=C,0,0,0,0,0,0,0
5951 CCN(CC)CCOc1ccc(Cc2ccccc2)cc1,,,,0,,0,0
5952 Fc1ccccc1,0,0,0,0,0,0,0
5953 CC(Oc1ccc(Cl)cc1C)C(=O)O,0,0,0,0,0,0,0
5954 OC(=O)CNc1ccccc1,0,0,,0,0,0,0
5955 OC(=O)CCS,0,0,0,0,0,0,0
5956 OCC1CCC2C3CC(CC3CO)C12,0,0,0,0,0,0,0
5957 CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc3ccccc3,1,,0,0,0,,1
5958 CC(=C)C(=O)OCCNC(C)(C)C,0,0,0,0,0,0,0
5959 CCCCCCCCCCCCCCC(Br)C(=O)O,1,,,0,1,1,1
5960 FC(F)(Cl)C(F)(Cl)Cl,0,0,0,0,0,0,0
5961 S(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
5962 NC(Cc1ccccc1)C(=O)O,0,,0,,0,,0
5963 Oc1oc2cc(ccc2n1)S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3,1,1,,0,1,0,1
5964 OCC(O)CS,0,0,0,0,0,0,0
5965 CC1(O)CCC2C3CCC4Cc5nonc5CC4(C)C3CCC12C,1,1,,,,,1
5966 OCC1CCC(COC=C)CC1,0,,0,0,0,0,0
5967 CCCC(=O)OC(=O)CCC,0,0,,0,,0,0
5968 FC(Cl)(Cl)C(F)(Cl)Cl,0,0,0,0,0,0,0
5969 CC(=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)C,,0,,0,,0,0
5970 NC(=S)NS(=O)(=O)c1ccc(N)cc1,0,,,0,0,,0
5971 Oc1oc2cc(Cl)ccc2n1,0,0,0,0,0,0,0
5972 CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,1,1,,,,,1
5973 CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,0,0,0,0,0,0,0
5974 CC(C)(C)NCC(O)CSc1nc(cs1)c2ccc(s2)C(=O)N,,,0,1,0,,1
5975 CCCCCCCCCCC,0,0,0,,1,0,1
5976 CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl,1,1,1,1,,,1
5977 OC1(COC(=O)c2cccnc2)OC(COC(=O)c3cccnc3)C(OC(=O)c4cccnc4)C1OC(=O)c5cccnc5,0,,0,0,0,,0
5978 OC(=O)CCCC(=O)O,0,0,0,0,0,0,0
5979 CC(Cc1ccc(cc1)C(C)C)C=O,,0,0,0,0,0,0
5980 OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],,0,0,,0,0,0
5981 OC(=O)C1=C(CSc2nncs2)CSC3C(NC(=O)Cn4cnnn4)C(=O)N13,0,,0,0,0,,0
5982 CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,,0,0,,,0,0
5983 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,,1,,,,,1
5984 CCC1CC2CC3C1N(CCc4c3[nH]c5ccc(OC)cc45)C2,,,0,0,,0,0
5985 CC(=CCCC(=CCCC(=O)C)C)C,0,0,0,0,0,0,0
5986 CN1SC=CC1=O,1,0,1,,,0,1
5987 Nc1ccccc1C(=O)O,0,0,0,0,0,0,0
5988 OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3,,0,0,0,,0,0
5989 CC1C2CCC3(C)C=CC(=O)C(=C3C2OC1=O)C,0,0,0,0,0,0,0
5990 CC(=O)N,0,0,0,0,0,0,0
5991 Oc1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)cc4,0,0,0,0,0,0,0
5992 OCC(CO)(CO)COCC(CO)(CO)CO,0,0,0,0,0,0,0
5993 OP(=O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O,0,,0,0,0,,0
5994 OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,0,0,0,0,0,0,0
5995 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12,0,1,,,0,0,1
5996 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N,0,1,0,0,,,1
5997 C[N+](=CCl)C,0,0,0,0,0,0,0
5998 CCOc1ccc(NC(=O)N)cc1,0,0,0,0,0,0,0
5999 O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3,1,1,0,,,1,1
6000 CN1CCN2C(C1)c3ccccc3Cc4cccnc24,0,,0,0,,,0
6001 NC(=O)NC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0
6002 CC(CC(c1ccccc1)c2ccccc2)NC(C)(C)C,0,,0,0,,,0
6003 Clc1ccc(cn1)C2CC3CCC2N3,0,,0,0,0,,0
6004 CC(C)c1ncc([N+](=O)[O-])n1C,0,,0,0,0,,0
6005 CN(C)CCCNCCCN(C)C,0,0,0,0,0,0,0
6006 CC(C)C1CC=C(C)C=C1,0,0,0,0,0,0,0
6007 CC(=O)Nc1ccc(O)cc1,0,0,0,0,0,0,0
6008 CCN(CC)CCNC(=O)c1ccc(NC(=O)C)cc1,0,0,0,0,0,0,0
6009 O=C1OC23CC(C=CC2=C1)N4CCCCC34,1,,1,,,,1
6010 Oc1ccccc1S(=O)(=O)O,0,0,0,0,0,0,0
6011 CCCC=NO,0,0,0,0,0,0,0
6012 CC1=NN(C(=O)C1N=Nc2ccccc2)c3ccc(cc3)S(=O)(=O)O,0,0,0,0,0,0,0
6013 OC(=O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c3ccccc3)cc1,0,,0,0,0,,0
6014 NNC(=O)OCc1ccccc1,0,,0,1,0,,1
6015 CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24,0,0,0,0,0,0,0
6016 CNC(C)C(O)c1ccccc1,0,0,0,0,0,0,0
6017 COC(=O)CC(C)CCC=C(C)C,0,0,0,0,0,0,0
6018 CNC(=O)CSP(=S)(OC)OC,0,0,0,0,0,0,0
6019 CC1CCC2C(C)(C)C3CC12CC=C3C,0,0,0,0,0,0,0
6020 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)COC(=O)C,1,1,1,1,0,,1
6021 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2,0,0,0,0,,0,0
6022 CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O,0,,0,0,0,,0
6023 CN(C)CCC=C1c2ccccc2Sc3ccc(Cl)cc13,,,0,,,,0
6024 CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)O,0,0,0,0,0,0,0
6025 CC=C(C)C#N,0,0,,0,0,0,0
6026 CCN(CCC#N)c1ccccc1,0,0,0,0,0,0,0
6027 NC(CS)C(=O)O,0,0,0,0,0,0,0
6028 Clc1cc(Cl)c(Cl)c(Cl)c1,,0,0,0,,0,0
6029 NC(=O)Cc1cccc2ccccc12,0,0,0,0,0,0,0
6030 OCC1OC(Oc2cccc3C(C4c5cccc(OC6OC(CO)C(O)C(O)C6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)C(O)C(O)C1O,0,,0,0,0,,0
6031 OC(=O)C1CC(CP(=O)(O)O)CCN1,0,,0,0,0,,0
6032 COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)COc6ccc(OC)cc6,0,,0,0,,0,0
6033 CCC(C)(N=NC(C)(CC)C#N)C#N,0,0,0,0,0,0,0
6034 CCCC(O)C(CC)CO,0,0,0,0,0,0,0
6035 COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],,,0,1,,1,1
6036 Cc1oc(nc1CCOc2cccc3c2ccn3CCC(=O)O)c4ccccc4,0,,,,,1,1
6037 CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)S(=O)(=O)N(C)C)CC1,0,,0,0,0,,0
6038 Nc1nc2c(Cl)cccc2s1,,0,,0,0,0,0
6039 CCOC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0
6040 CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O,0,0,0,0,0,0,0
6041 CC(C)COC(=O)C,,,,,,0,0
6042 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,1,1,,,,0,1
6043 COc1ccc2[nH]cc(CCNC(=O)C)c2c1,0,0,0,0,0,0,0
6044 ClCC(Br)CBr,0,0,0,0,0,0,0
6045 CCCOCCOCCO,0,0,0,0,,0,0
6046 C[n+]1ccn(C)c1,0,0,0,0,0,0,0
6047 CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,1,0,1,0,,0,1
6048 CCCCCCCCC(=O)Cl,,0,0,0,0,0,0
6049 Cc1ccc(C)c(O)c1C,0,0,0,0,0,0,0
6050 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0,0,0,0,0,0,0
6051 O=CC=Cc1occc1,0,0,0,0,0,0,0
6052 CN1N(C(=O)C(=C1C)N)c2ccccc2,0,0,0,0,0,0,0
6053 CC(=O)CCc1ccc(OC(=O)C)cc1,0,0,0,0,0,0,0
6054 CNC(=O)CC(N)C(=O)NC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c3ccc(O)cc3,0,,0,0,0,,0
6055 OC(=O)c1cccc(Cl)c1,0,0,0,0,,0,0
6056 CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2,0,0,,0,,0,0
6057 NC(=O)C(=O)NN=Cc1oc(cc1)[N+](=O)[O-],,,0,,,0,0
6058 CCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,0,,0,0,,,0
6059 COc1ccc2C3CCC4(C)C(CCC4(O)C#C)C3CCc2c1,1,1,1,0,,0,1
6060 CC=CC=O,0,0,0,0,0,0,0
6061 Cc1ccccc1C(=O)O,,,,,0,0,0
6062 CC(C)O,0,0,0,0,0,0,0
6063 CCCCNS(=O)(=O)c1ccc(C)cc1,0,0,0,0,0,0,0
6064 C=CCOC(=O)c1ccccc1C(=O)OCC=C,0,0,0,,0,0,0
6065 CCCCCCCCCCCCCC[N+](C)(C)C,1,1,,,,1,1
6066 CCCCCCCCCC=O,,,0,0,0,1,1
6067 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C,1,1,1,1,,1,1
6068 CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,0,,,0,0,1,1
6069 OCCNCc1ccccc1,0,0,0,0,0,0,0
6070 CC(=O)NC1(CCN(CCC2(CN(C(=O)CO2)c3ccccc3)c4ccc(Cl)c(Cl)c4)CC1)c5cccc(F)c5,1,1,,,,,1
6071 [O-][N+](=O)c1ccc(F)c(c1)[N+](=O)[O-],,,,0,,,0
6072 CC1(C)CC(=O)CC(C)(C)N1[O],0,0,0,,0,0,0
6073 CN(C)CCN(C)CCN(C)C,0,0,0,0,0,0,0
6074 Nc1ccc(cc1)N=Nc2ccccc2,1,1,,1,,1,1
6075 CCBr,0,0,0,0,0,0,0
6076 CCCCCCCCCCCCCCC,0,0,0,0,0,0,0
6077 CNC(=O)Oc1cccc(c1)C(C)C,0,0,0,0,0,0,0
6078 OCC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24,,,,0,0,,0
6079 OC(=O)c1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0
6080 CC(=O)OC(C)(C)C,0,0,0,0,0,0,0
6081 O=C1CCCC(=O)O1,0,0,0,0,0,0,0
6082 Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,0,0,0,0,,0,0
6083 COCCOC(=C1C(C(=C(C)N=C1C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])O,1,,1,0,,0,1
6084 CN1CCC23C4CCC(O)C2Oc5c(O)ccc(CC14)c35,0,0,0,0,0,0,0
6085 CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-],,,,,,0,0
6086 N#CC(=C(C#N)C#N)C#N,0,,0,0,0,0,0
6087 Cc1cc(ccc1N=Nc2cc(c3ccccc3c2N)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)c(C)c4,,1,1,1,,,1
6088 ClC=CCl,0,0,0,0,0,0,0
6089 CC(C=CC(C)C(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3)CCCC12C,0,1,,0,,,1
6090 CCOc1cccc(c1)C2(CCC(C)CC2)N3CCN(CC3)c4ccccc4,0,,0,0,0,0,0
6091 CC(=O)OC1C(O)C2C(C)(C)CCC(O)C2(C)C3(O)C(=O)CC(C)(OC13C)C=C,,1,1,1,1,0,1
6092 CC=C(C)C(=O)OCC=C(C)CCC=C(C)C,0,0,0,0,0,0,0
6093 OC(=O)c1ccc(O)cc1O,0,0,,0,0,0,0
6094 CCCN(C1CCN(CC1)C(=O)C2CCNCC2)C3CCc4ccc(OC)cc4C3,,,0,,,0,0
6095 Cc1cccc(C)c1O,0,0,0,0,0,0,0
6096 COP(=S)(OC)Oc1ccc(cc1Cl)[N+](=O)[O-],,,0,0,0,0,0
6097 COCC1=C(N2C(SC1)C(NC(=O)C(=NOC)c3csc(N)n3)C2=O)C(=O)OC(C)OC(=O)OC(C)C,1,,,,0,,1
6098 NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O,1,,,0,,0,1
6099 O=C(OCC=Cc1ccccc1)C=Cc2ccccc2,0,0,0,,0,0,0
6100 CCNc1nc(Cl)nc(NC(C)C)n1,0,0,0,0,0,0,0
6101 OCC(O)CO,0,0,0,0,0,0,0
6102 OCCCCCCO,0,0,0,,0,0,0
6103 COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C,0,0,0,0,0,,0
6104 Clc1ccc(cc1)C2C(=O)c3ccccc3C2=O,,,0,0,0,,0
6105 CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O,1,1,,0,,,1
6106 ClP(Cl)(Cl)(Cl)Cl,0,0,0,0,,0,0
6107 CCCCCCCCCCCCCCCC(=O)OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)C)C(C)(C)C1)C,0,,,0,,,0
6108 Oc1nc(Cl)c(Cl)cc1Cl,,,0,,1,1,1
6109 O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
6110 COc1cc(CC(C)N)c(OC)cc1Br,0,0,0,0,,,0
6111 CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24,1,,0,0,,1,1
6112 COc1cc(CC=C)cc(C(=O)NCCO)c1O,0,0,0,0,0,0,0
6113 Cc1ccc(cc1)S(=O)(=O)NC2CCCCC2,1,1,0,,0,,1
6114 COC(=O)C(Br)CBr,0,0,0,,,,0
6115 COC(=O)c1ccc(CBr)cc1,1,1,0,1,,0,1
6116 CC1CC(=CC(C)C1C=O)C,0,0,0,0,0,0,0
6117 Cc1cc(C)c(N)c(Cl)c1,0,0,0,0,0,0,0
6118 S=P(N1CC1)(N2CC2)N3CC3,0,0,0,0,,0,0
6119 CCCCCCOC(=O)CCCCC,0,0,0,0,0,0,0
6120 CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12,,1,0,0,1,0,1
6121 Cc1ccccc1OCC(O)CO,0,,0,0,0,0,0
6122 CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)c3ccccc3)C1=O,0,0,0,,0,0,0
6123 CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2,0,0,0,0,,0,0
6124 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccccc5,0,0,0,0,,,0
6125 CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl,,,0,0,1,,1
6126 O=C(OCC1CO1)C2CCCCC2C(=O)OCC3CO3,1,1,0,,,0,1
6127 COC1C(CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C)OC(=O)C,0,0,,0,,0,0
6128 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl,,1,,,,,1
6129 CCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)COC,,1,,,,,1
6130 CC(C)NC(=O)c1ccccc1N,0,0,0,0,0,0,0
6131 CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C,1,1,0,1,0,,1
6132 CCCOC(=O)c1ccccc1C(=O)OCCC,0,0,0,0,0,0,0
6133 CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C,,0,,1,0,0,1
6134 O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,0,0,0,0,0,0,0
6135 SC1=NC=NC2N=CNC12,1,1,,1,0,,1
6136 CSC1=NN=C(C(=O)N1N)C(C)(C)C,0,0,0,0,0,0,0
6137 CCCCCCCCCCn1cc[n+](C)c1,1,1,,1,1,0,1
6138 CCCCOCC(C)O,0,0,0,0,0,0,0
6139 CC(=CCC=C(C)C=C)C,0,0,,,,0,0
6140 NC(Cc1c[nH]c2ccccc12)C(=O)O,0,0,0,0,0,0,0
6141 CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1,,1,,,,,1
6142 CN(C1CCCCC1)C2CCCCC2,0,0,0,0,0,0,0
6143 Oc1ccc(cc1CC=C)S(=O)(=O)c2ccc(O)c(CC=C)c2,1,1,,1,,,1
6144 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3,1,1,,,,1,1
6145 CN1CCCC1,0,0,0,0,0,0,0
6146 CC(C)C(C)C=CC(C)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C,1,,,,,,1
6147 Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c4ccc(N=Nc5c(O)ccc6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)c(C)c4,,,,,,0,0
6148 Cc1ccc2c(C)cccc2c1,0,0,0,0,0,0,0
6149 CC(=C)CC(C)(C)C,0,0,0,0,0,0,0
6150 Brc1cccc(C=O)c1,0,0,0,0,0,0,0
6151 Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,,1,,,,1,1
6152 CC12CCC3C(CCC4=C(Cl)C(=O)CCC34C)C1CCC2O,1,1,1,1,1,,1
6153 CCCN(CCC)N=O,0,0,0,0,0,0,0
6154 Oc1oc2ccccc2n1,0,0,0,0,0,0,0
6155 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,1,,0,0,,0,1
6156 COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,0,0,0,0,0,0,0
6157 Cc1ccccc1C(=O)Nc2ccc(C(=O)N3CCCC(O)c4cc(Cl)ccc34)c(C)c2,1,,,,1,,1
6158 OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3,0,0,0,0,0,0,0
6159 CN1C(=O)N(C)C(=O)C(=C1N)N=O,0,0,0,,0,0,0
6160 c1ccc2cnncc2c1,0,0,,0,,0,0
6161 CN1CC2CC1CN2c3cc4N(C=C(C(=O)O)C(=O)c4cc3F)C5CC5,0,,,,0,0,0
6162 NCc1cccnc1,0,0,0,0,0,0,0
6163 COC(=O)CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(CCC(=O)O)c5C)C6(C)C(C(=O)OC)C(=CC=C46)C(=O)OC)c(C)c3C=C,,,,0,,,0
6164 Cc1ccc(C)c(C)c1,0,0,0,0,0,0,0
6165 CC1COC(=O)O1,0,0,0,0,0,0,0
6166 OCC1OC(O)C(O)C(O)C1O,0,0,0,0,0,0,0
6167 Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,,1,,0,,0,1
6168 CCOC(=O)NC(O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
6169 CC(CN1c2ccccc2Sc3cccnc13)N(C)C,0,,1,1,,,1
6170 CC(Br)C(=O)O,0,,0,0,0,0,0
6171 Clc1ccc(cc1Cl)N=C=O,,,,,0,1,1
6172 COc1ccc(cc1)C2C(=O)c3ccccc3C2=O,0,0,0,0,0,0,0
6173 Cc1cc(c(N)cc1Cl)S(=O)(=O)O,0,0,0,0,0,0,0
6174 S(Sc1ccccc1)c2ccccc2,0,0,,0,0,0,0
6175 CC(Cl)C(=O)O,0,,0,0,,0,0
6176 OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3,0,0,0,0,0,0,0
6177 CC(O)C(CO)C(C)O,0,0,0,0,0,0,0
6178 OC(=O)C=C,0,0,0,0,0,0,0
6179 CC1CCC2C(C)C(O)OC3OC4(C)CCC1C23OO4,1,1,,,,1,1
6180 CC(C(=O)O)c1ccc(C2CCCCC2)c3ccccc13,,,,,,1,1
6181 CC(C)(COC(=O)c1ccccc1)COC(=O)c2ccccc2,0,0,0,0,0,0,0
6182 OP(=O)(O)OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F,0,,0,0,0,,0
6183 S=C=Nc1ccc(cc1)N=C=S,0,1,0,0,0,,1
6184 NC(=O)C1CC2(NC(=O)NC2=O)c3cc(F)ccc3O1,0,,0,0,0,,0
6185 COc1ccc(CO)cc1,0,0,0,0,0,0,0
6186 Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,1,1,,1,,1,1
6187 C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,1,1,,,,1,1
6188 COc1ccc(NC(=O)C)cc1N,0,,0,0,0,0,0
6189 CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4,,1,0,0,0,,1
6190 COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,,0,,0,0,0,0
6191 CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O,0,0,,0,0,0,0
6192 OCC1(CO)COCOC1,0,0,0,0,0,0,0
6193 CC(=O)OCC=C,0,0,0,0,0,0,0
6194 CCCCCCC(=O)CCCCCCC=CCC(O)C(O)C(N)(CO)C(=O)O,0,0,0,0,0,0,0
6195 CC(=O)C=Cc1ccc2OCOc2c1,1,1,,,,1,1
6196 NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl,0,0,0,0,0,0,0
6197 NC(CCCN=C(N)N)C(=O)O,0,0,0,0,0,0,0
6198 O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,1,0,0,0,0,,1
6199 OC(=O)CC(Cl)C(=O)O,0,0,0,0,0,,0
6200 CN(CC#C)Cc1ccccc1,0,0,0,0,0,0,0
6201 CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,0,0,0,0,0,0,0
6202 CCc1ccccc1,0,0,0,0,,0,0
6203 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1,1,1,1,1,,0,1
6204 C=CN1CCCC1=O,0,0,0,0,0,0,0
6205 CO[P+](=O)OC,0,0,0,0,0,0,0
6206 CCN(N=O)C(=O)N,0,0,0,0,0,0,0
6207 COCc1ccc(COC)cc1,0,0,0,0,0,0,0
6208 CCCC(C)CO,0,0,0,0,0,0,0
6209 Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4,1,1,1,,,1,1
6210 OC(=O)C(Cl)Br,0,0,0,0,0,0,0
6211 CC(C)(C)OC(=O)C=C,0,0,0,0,0,0,0
6212 CC(C)(C)c1ccc(S)cc1,0,1,,,,0,1
6213 C1CCC2OC2C1,0,0,0,0,0,0,0
6214 O=C1CC2CC1C3CCCC23,1,,1,0,0,0,1
6215 Oc1ccccc1c2ccccc2,0,0,0,0,0,0,0
6216 CSSc1ccoc1C,0,0,0,0,0,0,0
6217 Cc1cc(C)c(cc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)S(=O)(=O)O,0,,0,0,,0,0
6218 CCN(CC)CCOC(=O)C(=C)C,0,0,,0,,0,0
6219 [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34,,1,1,0,,,1
6220 CCCCCCCC(=O)N(C)C,0,0,,0,0,0,0
6221 S=C1SCN(Cc2ccccc2)CN1Cc3ccccc3,0,1,,0,,1,1
6222 CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,0,,0,0,0,,0
6223 CCCCCCc1ccc(N)cc1,1,1,0,,,,1
6224 CCCCc1nc2cccnc2n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5,,,,,0,1,1
6225 CC1=NN(C(=O)C1N=Nc2ccc(cc2)S(=O)(=O)O)c3cc(Cl)c(cc3Cl)S(=O)(=O)O,0,0,0,0,0,0,0
6226 CCn1cc[n+](C)c1C,0,0,0,0,0,0,0
6227 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,0,,0,0,0,,0
6228 CCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,0,,,0,0,,0
6229 CCC(C)C=O,0,0,0,0,,0,0
6230 CCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1,0,0,0,0,0,0,0
6231 Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1C,,0,0,0,0,0,0
6232 [O-][N+](=O)c1cccc(CCl)c1,0,0,0,0,0,0,0
6233 CNCC(O)c1ccc(O)c(O)c1,0,0,0,0,0,0,0
6234 CCCCC(CC)COC(=O)CCCCC(=O)OCc1ccccc1,,0,0,0,0,0,0
6235 Oc1c(Cl)cc(Cl)cc1Cl,1,,0,0,0,,1
6236 Oc1ccc(Cl)cc1,0,0,0,0,0,0,0
6237 Clc1ccc(OCC(=O)OCCNC23CC4CC(CC(C4)C2)C3)cc1,0,,0,0,,,0
6238 CC(CO)(CO)C(=O)O,0,0,0,0,,0,0
6239 CCN(CC)CCOc1ccccc1C(=O)CCc2ccccc2,0,0,0,0,,0,0
6240 CN(C)CCCOC1C(OC2OC(C)(C)OC12)C(O)CO,0,0,0,0,0,0,0
6241 C(CCOCC1CO1)COCC2CO2,0,,0,1,1,0,1
6242 Oc1c(Br)cc(Br)cc1C(=O)Nc2cccc(c2)C(F)(F)F,,1,,,,,1
6243 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl,0,0,0,0,,0,0
6244 Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O,,1,0,0,0,0,1
6245 CC(Oc1ccc(CNC(=O)c2cccnc2Oc3ccc4OCOc4c3)c(F)c1)C(=O)O,0,0,0,0,0,0,0
6246 C(OCC1CO1)C2CCC(COCC3CO3)CC2,0,,0,,,,0
6247 O=C(Nc1cccc2C(=O)C=C(Oc12)c3nn[nH]n3)c4ccc(OCCCCc5ccccc5)cc4,0,,0,0,0,,0
6248 OC(=O)CCc1ccccc1,0,0,0,0,0,0,0
6249 Cc1c(c2ccc(O)cc2)n(Cc3ccc(OCCN4CCCCCC4)cc3)c5ccc(O)cc15,,1,1,1,,,1
6250 OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,1,1,,,,,1
6251 C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3,0,0,0,0,,1,1
6252 CC(Cc1ccccc1)N(C)CC#C,0,0,0,0,0,0,0
6253 CCNC(C)Cc1ccccc1,0,0,0,0,0,0,0
6254 Cc1ccc(N=Nc2c(O)c(cc3ccccc23)C(=O)O)c(c1)S(=O)(=O)O,0,0,,,,0,0
6255 CC(CN(C(=O)C)c1c(I)cc(I)c(N)c1I)C(=O)O,0,,0,0,0,,0
6256 CCCCCCCCCCCBr,0,0,0,0,0,0,0
6257 CC(CCO)CCCC(=C)C,0,0,0,0,0,0,0
6258 COC(=O)CCSCCC(=O)OC,0,0,0,0,0,0,0
6259 CCCCC(CC)CNCC(CC)CCCC,,0,0,0,0,0,0
6260 CCCCNP(=S)(N)N,0,0,,0,0,0,0
6261 OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F,,1,,,,1,1
6262 CC(=Cc1ccc(cc1)C(=O)O)c2ccc3c(c2)C(C)(C)CCC3(C)C,,1,,,,,1
6263 CCOC(=O)CCc1ccccc1,0,0,0,0,0,0,0
6264 O=C1N(CC2CCCc3cccc1c23)C4CN5CCC4CC5,0,,0,0,,0,0
6265 ClCC1(CCl)C(=C)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl,,1,,,,1,1
6266 Oc1ccc(Cc2ccc(O)cc2)cc1,,1,0,1,,1,1
6267 CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O,1,1,0,,,0,1
6268 OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,,0,0,0,1,1,1
6269 CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,0,0,0,0,0,0,0
6270 CCCCCCCCCCCCCCCCCC(=O)OCCO,0,,0,0,0,,0
6271 CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CN2CCOCC2)C(=O)NC(Cc3ccccc3)C(=O)NC(CC(C)C)C(=O)C4(C)CO4,1,1,1,,,,1
6272 CC(C)CC(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,1,1,,1,,1,1
6273 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C,1,,1,1,,,1
6274 CC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O,0,,,0,0,,0
6275 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,1,1,1,0,1,,1
6276 CC(=N)S,0,0,0,0,0,0,0
6277 Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12,,1,1,1,,0,1
6278 COc1ccc2c(c1)c3CCN=C4N(C)CCn2c34,,0,0,0,0,0,0
6279 O=CNc1ccccc1,0,0,0,0,0,0,0
6280 CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,0,1,,0,,1,1
6281 CN(C)CCn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)Cc4csc(N)n4)C3=O)C(=O)O,0,0,0,0,0,0,0
6282 CC(=CCCC(C)(OC(=O)C)C=C)C,0,0,0,0,0,0,0
6283 CCCCOCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0
6284 NNC(=O)c1ccccc1,,1,0,,0,0,1
6285 CN1C(=O)NC(=O)N(C1=O)c2ccc(Oc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(C)c2,1,,,0,1,1,1
6286 OCCCNc1ccccc1,0,,0,0,0,,0
6287 Nc1cc(Cl)cc(C(=O)O)c1Cl,0,0,0,0,0,0,0
6288 OS(=O)(=O)C=C,0,0,0,0,0,0,0
6289 Cc1ccc(c(C)c1)S(=O)(=O)O,0,0,0,0,0,0,0
6290 OC(=O)CC(S)C(=O)O,0,,0,0,0,,0
6291 COc1cc(OC)c(C=O)cc1OC,,,0,,0,0,0
6292 CCCCCOC(=O)CCCCC,0,0,0,0,0,0,0
6293 NNc1ccccc1,0,0,,0,0,,0
6294 CN(C(=O)C1=C(O)c2ccccc2N(C)C1=O)c3ccccc3,0,0,0,0,0,0,0
6295 CON(C)C(=O)Nc1ccc(Cl)cc1,0,,,1,0,0,1
6296 Oc1[nH]cnc2nncc12,0,0,0,0,0,0,0
6297 NCCN1CCNCC1,0,0,0,0,0,0,0
6298 CCCC(CC)c1ccccc1,0,0,0,0,0,0,0
6299 CCCCCCCCCCCCCl,0,,0,0,0,0,0
6300 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(C)(C)CCC2(C)C,1,1,,0,1,1,1
6301 CC(O)CO,0,0,0,0,0,0,0
6302 FCOC(C(F)(F)F)C(F)(F)F,0,,0,0,0,,0
6303 OCCOCCO,0,0,0,0,0,0,0
6304 CN1C(O)C(O)N(C)C1=O,0,0,0,0,0,0,0
6305 Cc1ccccc1C#N,0,0,0,0,0,0,0
6306 CC(C)(CO)C(O)C(=O)NCCC(=O)O,,,,,0,0,0
6307 CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1,1,1,1,,,,1
6308 Cc1ncc(CO)c(C=O)c1O,0,0,0,0,0,0,0
6309 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,0,0,0,0,0,0,0
6310 COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0,0,,0,,0,0
6311 OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,,,,0,,,0
6312 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4,,,,0,,,0
6313 SCc1ccccc1,0,0,0,1,0,,1
6314 CC(C)(C)C1CCCCC1O,,0,0,0,0,0,0
6315 OC(=O)C1CCC(=O)N1,0,0,0,0,0,0,0
6316 O=CC=O,0,0,0,0,0,0,0
6317 OC(=O)CCCCCC(=O)O,0,0,0,0,0,0,0
6318 CCOc1ccc(cc1)N=Nc2ccc(N)cc2N,1,1,0,1,,,1
6319 c1cnc2c(c1)ccc3cccnc23,1,1,1,,1,,1
6320 COc1ccc(Cl)cc1C,0,0,0,0,0,0,0
6321 CCc1nccnc1C,1,0,0,,0,0,1
6322 CCOCCn1c(nc2ccccc12)N3CCCN(C)CC3,0,0,0,0,0,0,0
6323 C=Cc1ccccc1,0,0,0,0,0,0,0
6324 CC(OC(=O)C)c1ccccc1,0,0,,0,0,0,0
6325 C(COc1ccccc1)Oc2ccccc2,,1,0,0,0,0,1
6326 N1c2ccccc2Sc3ccccc13,,0,0,0,0,0,0
6327 CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2,1,1,0,0,,,1
6328 Cc1ccc(O)c(c1)C(=O)c2ccccc2,,0,0,,0,0,0
6329 CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O,1,1,,,0,,1
6330 COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C)OC1C,1,,,1,0,,1
6331 CCC(C)CO,0,0,0,0,0,0,0
6332 CCCCNC(=O)OCC#CI,,1,,,,,1
6333 FC(F)(F)c1ccc(Cl)c(Cl)c1,0,0,0,0,0,0,0
6334 CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O,0,0,0,0,0,0,0
6335 CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C,1,,,,,1,1
6336 NC1C(O)OC(CO)C(O)C1O,0,0,0,0,0,0,0
6337 CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,,,0,0,0,0,0
6338 CC(C)NCC(O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
6339 CC(=CCOc1ccc(C=CC(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1)C,,1,1,1,,1,1
6340 COc1cccc2sc(N)nc12,0,0,0,0,0,0,0
6341 CC(=O)OC(C)(C)CCCC(=C)C=C,0,0,0,0,0,0,0
6342 OC1OC2C(O)C(=O)OC2C1O,0,0,0,0,0,0,0
6343 Brc1ccc(cc1)C2C(=O)c3ccccc3C2=O,0,0,0,0,0,,0
6344 CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,0,0,0,0,0,0,0
6345 CN1C=CC(=O)C(=C1C)O,0,,0,0,0,,0
6346 Cc1cc(C)c(C)c(C)c1,0,0,0,,0,0,0
6347 OC(=O)CCCCCCCCCC(=O)O,,0,0,0,0,0,0
6348 CCOc1cc(C=O)ccc1O,0,0,0,0,0,0,0
6349 CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3,1,1,,,1,1,1
6350 O=C1CCCC=C1,0,0,0,0,0,0,0
6351 CCC(=O)N(C1CCN(CC1)C(C)Cc2ccccc2)c3ccccc3,0,0,0,0,0,0,0
6352 COP(=S)(Cl)OC,0,0,0,0,0,0,0
6353 COC(C)(C)CCCC(C)CC=O,0,0,0,0,0,0,0
6354 CC(COC(=O)c1ccccc1)OC(=O)c2ccccc2,0,,0,0,0,,0
6355 COc1ccc(C(=O)c2ccccc2O)c(O)c1,,0,,,0,,0
6356 CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0
6357 CC(=O)CC(=O)OCCOC(=O)C(=C)C,0,0,0,0,0,0,0
6358 C(OCc1ccccc1)c2ccccc2,0,0,0,0,0,0,0
6359 CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,,0,0,0,0,0,0
6360 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,1,0,,,,1
6361 Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,0,,,0,,,0
6362 C=CCOC(=O)c1ccc(C(=O)OCC=C)c(c1)C(=O)OCC=C,0,0,0,0,0,,0
6363 CC1(C)C2CCC(C2)C1=C,0,0,0,0,0,0,0
6364 CC(C)(C)NCC(O)c1ccccc1Cl,0,0,0,0,0,0,0
6365 Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1,0,,0,0,0,,0
6366 C1CCCC1,,0,,,0,0,0
6367 Cc1ccccc1C,0,0,0,0,0,0,0
6368 Clc1ccc(C=O)cc1Cl,0,0,0,0,0,0,0
6369 CCc1cc(OC)c(CC(C)N)cc1OC,0,0,0,0,,0,0
6370 Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,,,,,,0,0
6371 COCCCOCCCOC,0,0,0,0,0,0,0
6372 Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)c3cnn(C)c3O,0,,0,0,0,0,0
6373 OCC(O)C(O)CO,0,0,0,0,0,0,0
6374 CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)C(O)(CC)C(=O)OC4,1,1,,,1,,1
6375 Oc1cc(Cl)cc(Cl)c1Cl,,,,0,1,,1
6376 [O-][N+](=O)c1oc(C=NN2CC(CN3CCOCC3)OC2=O)cc1,0,0,0,0,0,0,0
6377 NCCN1CCOCC1,0,0,0,0,0,0,0
6378 CCCCCCCCCCCCCCCCCC[N+](C)(C)C,1,1,,,,,1
6379 NCC1CCC(CC1)C(=O)O,0,,0,0,0,,0
6380 COc1cc(ccc1OCCCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)C,0,0,0,,,,0
6381 CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC,,0,,0,0,0,0
6382 COc1ccc(C=NNC(=O)c2ccncc2)cc1OC,0,0,0,0,0,0,0
6383 CCOC(OCC)C=C,,,,,0,0,0
6384 COc1ccccc1O,0,0,0,0,0,0,0
6385 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,0,,,,0,0,0
6386 COc1ccc(cc1OC)C2NC(=S)N3C(NC(=S)N23)c4ccc(OC)c(OC)c4,,1,,,,,1
6387 CC1=C(O)C(=O)CO1,0,0,0,0,0,0,0
6388 NCCNCCNCCNCCN,0,0,0,0,0,0,0
6389 O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4,1,1,,1,1,1,1
6390 CCC=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)COC(=O)N)c3csc(N)n3,0,,0,0,0,0,0
6391 CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3)C(C)C,,,,0,0,,0
6392 CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C)C,1,1,,,,,1
6393 OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
6394 C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,0,0,0,0,,0,0
6395 Nn1cnnc1,0,0,0,0,0,0,0
6396 CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,0,,0,0,0,,0
6397 COc1ccc(C(=O)c2cccc(O)c2)c(OC)c1,,1,0,0,,,1
6398 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3,0,0,0,0,0,0,0
6399 OCC1OC(CC1O)N2C=C(Br)C(=O)NC2=O,0,1,1,,0,0,1
6400 Nc1ccc(Oc2ccc(Cl)cc2)cc1,1,,1,1,,0,1
6401 COC(=O)C1=C(N=C(C)C(=C(O)OC(C)C)C1c2cccc(c2)[N+](=O)[O-])C#N,1,,1,,,,1
6402 Oc1cccc2cccnc12,,1,0,,,1,1
6403 CCC(CO)(CO)[N+](=O)[O-],0,0,0,0,0,0,0
6404 CCCC1CCCCN1,0,0,0,0,0,0,0
6405 NC(=S)Nc1ccccc1,0,0,0,0,,0,0
6406 CC(O)C(C)O,0,0,0,0,,0,0
6407 Cc1cccc(C)c1NC(=O)CN2CCCC2,0,0,0,0,0,0,0
6408 CNC(=S)NC,0,0,0,0,,0,0
6409 OCC(Cc1cccc(O)c1)C(CO)Cc2cccc(O)c2,1,0,0,,,0,1
6410 Oc1c(cc(c2cccnc12)S(=O)(=O)O)C(=O)Nc3ccc(C=Cc4ccc(NC(=O)c5cc(c6cccnc6c5O)S(=O)(=O)O)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O,0,,0,0,,,0
6411 CNC1(CCCCC1=O)c2ccccc2Cl,0,,0,0,0,,0
6412 CC(C)(C)N(CCO)CCO,0,,0,,0,0,0
6413 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,,0,,,,,0
6414 CC(C)(C)c1ccc(N)cc1,0,,0,0,0,0,0
6415 OCl=O,0,0,0,0,0,0,0
6416 CC(=O)c1ccc2OC(C)(C)C(O)C(NC(=O)c3ccc(F)cc3)c2c1,0,0,0,0,0,0,0
6417 CCOP(=O)(O)C(=O)N,0,0,0,0,0,0,0
6418 CCOC(=N)CC(=O)OCC,0,0,0,0,0,0,0
6419 O=C(NNCNNC(=O)c1ccncc1)c2ccncc2,0,,0,0,0,,0
6420 CC1=CC(=O)CC(C)(C)C1=O,0,0,0,0,0,0,0
6421 CCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c3ccccc3,,1,0,0,,,1
6422 OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0,0,,0,0,0,0
6423 Nc1ccc2cc3ccccc3cc2c1,1,1,,1,,,1
6424 CC1CCC(C=C(C)C(=O)O)C2=C(C)CC(O)C12,0,0,0,0,0,0,0
6425 Oc1ccc(cc1)S(=O)(=O)O,0,0,0,0,0,0,0
6426 COC1C(CC2CN3CCc4c([nH]c5ccccc45)C3CC2C1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,1,1,,,,1,1
6427 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,1,1,,1,,1,1
6428 CCCn1cc[n+](C)c1,0,0,0,0,0,0,0
6429 CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1,0,0,0,0,0,0,0
6430 C1CCN2CC3CC(CN4CCCCC34)C2C1,0,0,0,0,0,0,0
6431 ClCCOCCOCCCl,0,,0,0,0,0,0
6432 OC(=O)c1cccc(Cl)n1,0,0,0,0,0,0,0
6433 CCN(CC)CCNC(=O)c1ccc(Cl)cc1OCC=C,0,0,0,0,,0,0
6434 Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O,1,,,1,0,,1
6435 CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)N2N=CC(=O)NC2=O,,1,,1,0,1,1
6436 CC1(C)OCC2OC3(OC(C)(C)OC3C2O1)C(=O)O,0,0,0,0,0,0,0
6437 OC(=O)C(Cc1cc(O)nc2ccccc12)NC(=O)c3ccc(Cl)cc3,0,0,0,0,0,0,0
6438 CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2,1,1,1,1,,,1
6439 C[N+]1([O-])C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,0,,0,0,0,,0
6440 CC(O)C1C2C(C)C(=C(N2C1=O)C(=O)O)SC3CNC(C3)C(=O)N(C)C,0,0,0,0,0,0,0
6441 CC(C)OC(=O)c1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1,,0,0,0,,0,0
6442 OCC(O)C(O)C(O)C(O)C(=O)O,0,0,0,0,0,0,0
6443 CC(C)(C)OC(=O)c1cccc(N)c1,0,1,,0,0,0,1
6444 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12,0,0,0,0,0,0,0
6445 C=CC(=O)N1CCOCC1,0,0,0,0,0,0,0
6446 CC1COc2ccccc2N1C(=O)C(Cl)Cl,1,1,1,,,1,1
6447 CN(C)C(=O)Nc1ccccc1,,0,0,0,0,,0
6448 N#CC=CC#N,1,1,1,,,1,1
6449 Cc1cc(SCc2sc(nc2C)c3ccc(c(F)c3)C(F)(F)F)ccc1OCC(=O)O,,,,,,1,1
6450 OP(=O)(O)O,0,0,0,0,0,0,0
6451 CCCCOC(=O)CCS,0,1,0,,,0,1
6452 CC12CCC3C(CCC4NC(=O)C=CC34C)C1CCC2C(=O)Nc5cc(ccc5C(F)(F)F)C(F)(F)F,,1,1,0,,,1
6453 COP(=S)(NC(C)C)Oc1ccc(C)cc1[N+](=O)[O-],1,1,0,,0,0,1
6454 CCCCN(CCCC)N=O,0,0,0,0,0,0,0
6455 COc1cc(C=O)cc2N3CC4C(N4C(=O)C)C(OC(=O)C)(O3)C(COC(=O)N)c12,1,1,1,,,1,1
6456 COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2,0,0,0,0,0,0,0
6457 Oc1cccc(c1)[N+](=O)[O-],0,,0,0,0,0,0
6458 O=C1NC(=O)c2ccccc12,0,0,0,0,0,0,0
6459 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C,0,0,0,0,0,0,0
6460 COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4,0,0,0,0,0,0,0
6461 CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],,0,0,0,,,0
6462 CC(C)c1ccc(cc1)C(C)C,0,0,0,0,0,0,0
6463 OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(=O)O,0,0,0,0,0,0,0
6464 CC(C)NCC(O)c1ccc(N)c(c1)C#N,,0,0,0,0,0,0
6465 Fc1ccccc1c2ccccc2,0,0,0,0,0,0,0
6466 OC(=O)c1cc(Cl)cc(c1Cl)[N+](=O)[O-],0,0,0,0,0,0,0
6467 COc1ccccc1N2CCN(CCCCNC(=O)c3ccc(cc3)c4ccc(cc4)C(=O)C)CC2,0,,0,0,,0,0
6468 CCCCCBr,0,0,0,0,0,0,0
6469 CC(=O)c1c(C)cc(cc1C)C(C)(C)C,0,0,0,0,0,0,0
6470 CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,1,1,,,,,1
6471 CNC(=O)OCc1cccc(COC(=O)NC)n1,0,,0,0,0,,0
6472 OCCN(CCO)CCC#N,0,0,0,0,0,0,0
6473 Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl,1,1,1,,,1,1
6474 COCC(C)N(C(=O)CCl)c1c(C)csc1C,,,0,,0,1,1
6475 Cc1ccc(cc1)C(=CCN2CCCC2)c3cccc(C=CC(=O)O)n3,0,,0,0,0,,0
6476 COc1ccccc1NC(=O)c2cc3ccccc3cc2O,1,1,,1,1,,1
6477 OC(=O)C1=CC(=O)c2ccccc2O1,0,0,0,0,,0,0
6478 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O,0,0,0,0,0,0,0
6479 C1COC1,,0,,0,,0,0
6480 OCC=Cc1ccccc1,0,0,0,0,0,0,0
6481 Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl,,1,,0,,,1
6482 CC(=O)NC(CCC(=O)N)C(=O)O,0,0,0,0,0,0,0
6483 CCCCCOc1ccc(cc1OCC)C2SC(=O)NC2=O,1,0,,,1,1,1
6484 NCc1ccccc1CC(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4CC(=O)O,0,,0,0,0,,0
6485 Oc1ccc2cc(ccc2c1)S(=O)(=O)O,0,0,0,0,0,0,0
6486 COc1ccc2C(=O)C(=C(Oc2c1CN(C)C)c3ccccc3)C,0,,0,1,0,,1
6487 CCCCCCCCCl,0,0,0,0,0,0,0
6488 CCN(C(=O)C=CC)c1ccccc1C,0,0,0,0,0,0,0
6489 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,,,0,,,1,1
6490 OCN1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0
6491 Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O,,1,,,1,,1
6492 CNC1C(O)C(NC)C2OC3(O)C(OC(C)CC3=O)OC2C1O,0,0,0,0,0,0,0
6493 [O-][N+](=O)c1cc(c2ccccc2c1)[N+](=O)[O-],1,,1,0,1,0,1
6494 O=C(Cc1ccccc1)OCCc2ccccc2,0,0,0,0,0,0,0
6495 CC(=O)OCC(=O)Nc1cc(cc(NC(=O)COC(=O)C)c1Cl)C#N,0,0,0,0,0,0,0
6496 CC[N+](=O)[O-],0,0,0,0,0,0,0
6497 CC(C)C1CCC(O)CC1,0,0,0,0,0,0,0
6498 Oc1ccccc1C=NCc2ccccc2,,0,0,0,,0,0
6499 COc1cc2CCN(C)CC(c3ccccc3)c2cc1OC,0,,0,0,,,0
6500 CCCCOCCOCCOC(=O)C,0,0,0,0,0,0,0
6501 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,0,,0,0,,,0
6502 [O-][N+](=O)c1c(Cl)cccc1c2c[nH]cc2Cl,1,1,,,,,1
6503 CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1,1,1,1,1,,1,1
6504 O=C1CCN(N1)c2ccccc2,0,,0,1,,,1
6505 SCCc1cnccn1,0,,1,0,0,0,1
6506 CCOC(=O)CC(=O)C,0,0,0,0,0,0,0
6507 Nc1ccc2c(Cc3ccccc23)c1,1,1,,1,,0,1
6508 SC(=S)N1CCNCC1,0,,0,0,0,,0
6509 CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C,0,,,0,0,,0
6510 COC1C(O)C(N)C(OC2OC(CCC2N)C(C)N)C(O)C1N(C)C(=O)CN,0,,0,0,0,,0
6511 O=Cc1occc1,0,0,0,0,0,0,0
6512 CNCC(=O)c1ccc(O)c(O)c1,0,,0,0,0,0,0
6513 CCN1CCCC1CNC(=O)c2c(O)c(Cl)cc(Cl)c2OC,0,0,0,0,0,0,0
6514 NS(=O)(=O)c1ccccc1OC(F)(F)F,0,0,0,0,0,0,0
6515 CC(C)CCCC(C)N,0,0,0,0,0,,0
6516 Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1,1,1,1,0,,1,1
6517 ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,,1,0,,,0,1
6518 NC(Cc1ccc(Cl)cc1)C(=O)O,0,0,0,0,0,0,0
6519 CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1,1,1,,,,,1
6520 CC(C)(C)c1ccc(OCC2CO2)cc1,0,1,,,0,0,1
6521 CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC3CN4CCC3CC4,,0,0,1,,0,1
6522 CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,1,1,1,1,,1,1
6523 CCCCn1cc[n+](C)c1C,0,0,0,0,0,0,0
6524 CCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],,0,0,,,0,0
6525 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,0,0,0,0,0,0,0
6526 C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,,1,,,,,1
6527 CC(C)(C)OC(=O)c1ncn2c1C3CCCN3C(=O)c4c(Br)cccc24,0,0,0,0,0,0,0
6528 C[n+]1ccn(CC=C)c1,0,0,0,0,0,0,0
6529 CNC(=O)Oc1ccccc1C2OCCO2,0,0,0,0,0,0,0
6530 CC1CC(O)CC(C)(C)C1,0,0,0,0,0,0,0
6531 O=C(CS(=O)Cc1occc1)NCC=CCOc2cc(CN3CCCCC3)ccn2,0,0,0,0,,0,0
6532 CN(C)CCCSc1ccccc1NC(=O)C=Cc2ccccc2,0,,,1,,0,1
6533 Oc1ccc2cc(cc(c2c1N=Nc3ccccc3)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0
6534 CN1C2CCC1CC(O)C2,0,0,0,0,0,0,0
6535 CCCCCCCCCCOC1OC(CO)C(O)C(O)C1O,,0,0,0,,0,0
6536 CON=C(C(=O)NC1C2SCC=C(N2C1=O)C(=O)O)c3csc(N)n3,0,,0,0,0,,0
6537 CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(C)onc2c3ccccc3,,,0,1,0,1,1
6538 Cc1cc(O)ccc1O,,,0,,,,0
6539 CC(C)(C)c1ccc(cc1)C(=O)CCCCl,,1,,,,,1
6540 OC(=O)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0
6541 COC1C(CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C)OC(=O)C,0,,0,0,0,,0
6542 Oc1c(I)cc(Cl)c2cccnc12,,1,1,0,,0,1
6543 CC(C)(C)CC(C)(C)c1ccccc1O,,1,,,,,1
6544 CSC1=NC(C)(C(=O)N1Nc2ccccc2)c3ccccc3,1,,,1,1,1,1
6545 O=C(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0
6546 CCC(=C(CC)c1ccc(O)cc1)c2ccc(O)cc2,1,1,1,0,,1,1
6547 CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C)C(=O)C,1,1,1,1,,0,1
6548 CCS(=O)(=O)CCSP(=O)(OC)OC,0,0,0,0,0,0,0
6549 CC(S)C(=O)NCC(=O)O,0,0,0,0,0,0,0
6550 N#Cc1cc2ccccc2c3ccccc13,1,1,,1,0,0,1
6551 CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2,0,0,0,0,,0,0
6552 OC(=O)CONC(=O)c1ccccc1,0,0,0,0,0,0,0
6553 CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=CC2(O)C#C,1,1,1,,,0,1
6554 CCNc1nc(NCC)nc(SC)n1,1,0,,0,0,0,1
6555 CC(C)(O)C(=O)O,0,0,0,0,0,0,0
6556 CC(C)(C)S,0,0,0,0,0,0,0
6557 CNC(=O)Oc1cccc2OC(C)(C)Oc12,0,,,0,0,0,0
6558 NCCCCCC(=O)O,0,0,0,0,0,0,0
6559 O=C(OC1CC2CC3CC(C1)N2CC3=O)c4c[nH]c5ccccc45,1,,0,0,,,1
6560 CCCOCCO,0,0,0,0,0,0,0
6561 OC(CC(C1=C(O)Oc2ccccc2C1=O)c3ccccc3)c4ccc(cc4)c5ccc(Br)cc5,,,,0,1,1,1
6562 NCCCCCCNCCCCCCN,0,0,0,0,0,0,0
6563 COc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1,,1,1,1,,1,1
6564 CC1(C)Cc2cccc(N)c2O1,0,0,0,0,0,0,0
6565 Cc1cccc2c1cc3ccc4cccc5ccc2c3c45,1,,1,0,,1,1
6566 CCCCCCCCN1CN(C)C=C1,,,,,,0,0
6567 [O-][N+](=O)c1cccc(C=O)c1,0,0,0,0,0,0,0
6568 ClCc1ccccn1,0,0,0,0,0,0,0
6569 COC=O,0,0,0,0,0,0,0
6570 CCOC(=O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1,0,,0,0,0,,0
6571 NCCN1CCNC1=O,0,0,0,0,0,0,0
6572 CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)Cc4ccccc4,0,0,0,0,0,0,0
6573 CC(O)C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN,0,0,0,0,0,0,0
6574 NC(=O)c1ccccc1N,0,0,0,0,0,0,0
6575 CCCC1CCC(=O)O1,0,0,0,,0,0,0
6576 CCCC(=O)C(=O)C,0,0,0,0,0,0,0
6577 OCC(=O)O,0,0,0,0,0,0,0
6578 COC1=C(N2C(SC1)C(NC(=O)C(N)C3=CCC=CC3)C2=O)C(=O)O,0,,0,0,0,,0
6579 CC(C)CCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC(C)C)c(c1)C(=O)OCCCCCCC(C)C,,,0,0,0,0,0
6580 O=C=NCC1CCCC(CN=C=O)C1,0,0,0,0,0,0,0
6581 Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2,0,,0,0,,,0
6582 CCCCCOC(=O)CCCC,0,0,0,,0,0,0
6583 OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34,,,0,,0,,0
6584 CC(O)C#CC(C)O,1,1,,,,1,1
6585 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5,1,1,,,0,,1
6586 Nc1ccc(Cc2ccc(N)cc2)cc1,0,0,0,0,0,0,0
6587 Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,1,1,1,,,1,1
6588 CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3,0,,0,0,0,,0
6589 CN(CS(=O)(=O)O)C1=C(C)N(C)N(C1=O)c2ccccc2,0,0,0,0,0,0,0
6590 CCNc1cccc(C)c1,0,0,0,0,0,0,0
6591 NCCC(O)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,0
6592 OC(=O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O,0,0,0,0,0,0,0
6593 CCC1(C(=O)NC(=O)N(C)C1=O)c2ccccc2,0,,0,0,0,,0
6594 CC(=O)c1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0
6595 CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,0,0,0,,,0
6596 CC(CN1c2ccccc2Sc3ccccc13)N(C)C,,1,0,0,,,1
6597 CCCCCCCCCCCCCC(=O)OCC(O)CO,0,0,0,,1,0,1
6598 COS(=O)(=O)C,0,0,0,0,0,0,0
6599 Cc1ccc(N)c(N)c1,1,1,0,,,0,1
6600 O=C1NNC(=O)C=C1,0,0,0,0,0,0,0
6601 OC(=O)c1cc(ccc1O)c2ccc(F)cc2F,,0,,0,0,1,1
6602 CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C,0,0,0,0,,0,0
6603 CC(C)(C)c1ccccc1O,0,0,0,0,0,0,0
6604 CC1=CC(=O)Oc2cc(OCC#C)ccc12,1,,0,1,0,,1
6605 CNC(=O)c1ccccc1,0,0,,0,0,0,0
6606 OS(=O)(=O)Oc1ccc(cc1)C(c2ccc(OS(=O)(=O)O)cc2)c3ccccn3,0,,0,0,0,,0
6607 CCCc1c(O)c(ccc1OCCCCc2nn[nH]n2)C(=O)C,,1,1,1,1,1,1
6608 CC(=O)OCC(COC(=O)C)OC(=O)C,0,0,0,0,0,0,0
6609 CCOCCOC(=O)C,0,0,0,0,0,0,0
6610 Cc1ccccc1N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)c(C)c2,,1,0,0,,0,1
6611 COC(=O)CC(C)(C)C=C,0,,0,0,,0,0
6612 CSc1cnc(C)cn1,0,0,0,0,0,0,0
6613 CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CCC(O)CC(O)CC(=O)O,1,1,1,1,,1,1
6614 CCCCC(CC)C(O)C#C,0,0,0,0,0,0,0
6615 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1,0,0,0,0,0,0,0
6616 CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1,,0,0,0,0,0,0
6617 CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c3ccccc3)CCCCC1,1,,,1,,0,1
6618 CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N,,1,1,,,1,1
6619 OC(=O)c1cccc(Oc2ccccc2)c1,0,0,0,0,0,,0
6620 CNC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13,1,1,1,0,,,1
6621 CN1SC(=CC1=O)Cl,,0,0,,0,0,0
6622 OS(=O)(=O)CCCN1CCOCC1,0,0,0,0,0,0,0
6623 COc1cc(NC(=O)CC(=O)C)c(OC)cc1Cl,0,,0,,0,1,1
6624 [O-][N+](=O)c1ccc(SC#N)c(c1)[N+](=O)[O-],,1,,,,,1
6625 CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,0,0,0,0,0,0,0
6626 CCC#N,0,0,0,0,0,0,0
6627 CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O,0,,0,0,0,,0
6628 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],1,1,,,,1,1
6629 CCC(CO)CO,0,0,0,0,0,,0
6630 CCCCC(CC)C(=O)Cl,0,0,0,0,,0,0
6631 OCCCCOC=C,0,0,0,0,0,0,0
6632 CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4,0,0,0,0,0,0,0
6633 CC(=O)Nc1ccccc1C,0,0,0,0,0,0,0
6634 OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,,,,0,0,,0
6635 CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C,0,0,0,,0,0,0
6636 Nc1ccc(Nc2ccccc2)cc1,1,1,,0,,0,1
6637 CN(Cc1ccccc1)Cc2ccccc2,0,,0,0,0,,0
6638 COC(=O)CCC(N)C(=O)O,0,,0,0,0,,0
6639 CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2,,,0,0,0,,0
6640 ON=C1CCCCC1,0,0,0,0,0,0,0
6641 CCCCCCCCCC(=O)N(C)C,0,0,0,0,0,,0
6642 CC1(O)CCC2C3CCC4CC(=C(CC4(C)C3CCC12C)C=O)O,1,1,0,1,1,,1
6643 CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2c(F)c(F)cc(F)c2F,0,,0,0,0,,0
6644 CC(=CCCC(=CCOC=O)C)C,0,0,0,0,0,0,0
6645 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(O)C(=O)CO,1,,1,1,0,0,1
6646 Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,0,0,0,0,0,0,0
6647 COC(=O)C(Cl)C(=O)OC,0,,0,0,0,0,0
6648 CC1CC=C(C)C(C=CC(=O)C)C1(C)C,0,0,0,0,0,0,0
6649 COC(=O)CC(C(=O)C)C(=O)OC,0,0,0,0,0,0,0
6650 CCC(C)(O)CCCC(C)C,0,0,0,0,0,0,0
6651 Oc1ccnc(O)n1,0,0,0,0,0,0,0
6652 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)CCC(=O)O)c(C)c(C)c2O1,0,0,0,0,,0,0
6653 CCC1=C(C)C2=CC3=NC(=CC4=NC(=C(CC(=O)O)C5=NC(=C(C)C5=C(O)O)C=C1N2)C(CCC(=O)O)C4C)C(=C3C=C)C,,,0,0,,,0
6654 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,1,1,1,,0,1,1
6655 OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O,1,,,1,0,,1
6656 COc1ccc(OC)c(OC)c1,0,0,0,0,0,0,0
6657 CCC(=O)C,0,0,0,0,0,0,0
6658 OCCc1ccc(cc1)[N+](=O)[O-],0,0,0,,0,0,0
6659 COc1ccc(cc1C23CC4CC(CC(C4)C2)C3)c5ccc6cc(ccc6c5)C(=O)O,0,1,1,1,,,1
6660 CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC1=O,0,0,0,0,0,0,0
6661 Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3,0,0,0,0,0,0,0
6662 CC(C)(O)C1CCC(C)(O)CC1,0,,0,0,0,,0
6663 CCc1cccc(C)c1N,0,0,0,0,0,0,0
6664 CCCCCCI,0,0,0,0,0,0,0
6665 BrCC#N,0,0,0,0,0,0,0
6666 CCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl,,1,1,0,,0,1
6667 CS(=O)C,0,0,0,0,0,0,0
6668 CC(=C)CS(=O)(=O)O,0,0,0,0,0,0,0
6669 CCCCCCCCCCCC[N+](C)(C)C,1,1,,1,,,1
6670 COC(=O)NS(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0
6671 COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C,0,,,0,,0,0
6672 Fc1ccccc1C(=O)Cl,0,0,0,0,0,0,0
6673 CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC,,0,0,0,0,0,0
6674 CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,1,,1,,,1,1
6675 Cc1ccc(Cl)c(O)c1,0,0,0,0,0,0,0
6676 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1,0,,0,0,0,,0
6677 CCC(C)(C)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2,0,0,0,0,0,0,0
6678 CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,0,0,0,0,0,0,0
6679 ClC(=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
6680 O=C1Oc2ccccc2C=C1,0,0,0,0,0,0,0
6681 NC(=O)CN1CC(O)CC1=O,0,,0,0,0,,0
6682 CN1N=Nc2c(ncn2C1=O)C(=O)N,0,0,0,0,0,0,0
6683 CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O,1,1,,1,1,,1
6684 [2H]C([2H])([2H])C(N)Cc1ccccc1,0,,0,0,0,,0
6685 CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1,1,,1,0,,,1
6686 CCC(C)(CCC(C)C)C(=O)O,,0,0,0,0,0,0
6687 C1CCN(CC1)C2(CCCCC2)c3cccs3,0,,0,0,0,,0
6688 Cc1ccc(N)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0
6689 Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,1,1,0,,1,0,1
6690 C1CCC(NC1)c2cccnc2,0,0,0,0,0,0,0
6691 BrCC(Br)C1CCC(Br)C(Br)C1,1,0,0,0,,0,1
6692 Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N,0,0,0,0,0,0,0
6693 CCCCC(CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0
6694 CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,0,0,0,0,0,0,0
6695 CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(c1)C(=O)OCCCCCCCC(C)C,0,0,0,0,0,0,0
6696 CC1(C)CC(N)CC(C)(C)N1,0,0,0,0,0,0,0
6697 CN(C)NC(=O)CCC(=O)O,0,0,0,0,0,0,0
6698 C=CC1CO1,,0,0,0,0,0,0
6699 CCC(O)OCC(C)OC(O)CC,0,0,0,0,0,0,0
6700 COc1cc(C=CC(=O)OC2CCC34CC35CCC6(C)C(CCC6(C)C5CCC4C2(C)C)C(C)CCC=C(C)C)ccc1O,1,,1,0,0,,1
6701 CC(C)C#N,0,0,0,0,0,0,0
6702 O=C1OC(=O)c2cccc3cccc1c23,0,0,,,,0,0
6703 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,0,,0,0,0,0,0
6704 COc1ccc(C)cc1,0,0,0,0,0,0,0
6705 Cc1cccc2cccnc12,0,0,,0,0,0,0
6706 CSc1nc(NC(C)C)nc(N=[N+]=[N-])n1,,0,0,0,0,,0
6707 CC(C)(c1ccccc1)c2ccccc2,,0,,0,0,0,0
6708 CC(c1ncncc1F)C(O)(Cn2cncn2)c3ccc(F)cc3F,0,0,0,0,0,0,0
6709 CCC(C1CCC(C)C(O1)C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C5CCC(O)(CC)C(C)O5)C(O)C=C3)C(C)CC2C)C(=O)O,,,1,0,,1,1
6710 NC(=O)NNC(=O)N,,0,0,0,0,0,0
6711 CCCCCCCCCCCCCCC=C,0,0,0,0,0,0,0
6712 CCCCOC(=O)CCCCC(=O)OCCCC,0,0,0,0,0,0,0
6713 CCN(CCO)CCO,0,0,0,0,0,0,0
6714 Cc1ccc(C=NN2C(=S)SC=C2c3ccccc3)cc1,,,0,,1,1,1
6715 COC(C)CCO,0,0,,0,0,0,0
6716 CC(C)CCO,0,0,0,0,0,0,0
6717 O=C1C(=Cc2cccs2)CCCC1=Cc3cccs3,,1,0,1,,,1
6718 CC1CNCCc2ccc(Cl)cc12,0,0,0,0,0,0,0
6719 Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2,,1,0,1,,,1
6720 Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3)c1,,0,,0,,0,0
6721 NC1=NC(=O)N(C=C1)C2CSC(CO)O2,0,0,0,0,0,0,0
6722 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,0,0,0,0,,,0
6723 CC(C)C(C)C=CC(C)C1CCC2C(=CC=C3CC(O)CCC3C)CCCC12C,0,,,0,,,0
6724 CCCCN=C=O,0,0,0,0,0,0,0
6725 CCOP(=O)(O)OCC,1,,0,,0,0,1
6726 CCCCCCCCCCCC(=O)OC,0,0,0,0,0,0,0
6727 OC1CCCCCCCCCCC1,0,0,0,0,,0,0
6728 OCCOC1C(O)OC(CO)C(O)C1O,1,1,1,1,,,1
6729 Cc1ccc(cc1)C(=CCN2CCCC2)c3ccccn3,0,0,0,0,,0,0
6730 OC(=O)CN(CC(=O)O)CC(=O)O,0,0,0,0,0,0,0
6731 CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3,,,,1,0,0,1
6732 CCCCCCBr,0,0,0,0,0,0,0
6733 CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3,,1,0,1,0,0,1
6734 Cc1cccc(Br)c1,0,0,0,0,0,0,0
6735 CC(N)Cc1ccc(O)cc1,0,,0,0,0,,0
6736 COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],1,,0,1,0,0,1
6737 CC(C)(O)c1ccccc1CCC(SCC2(CC(=O)O)CC2)c3cccc(C=Cc4ccc5ccc(Cl)cc5n4)c3,1,1,,1,,,1
6738 OC(=O)CCCCC(=O)O,0,0,0,0,0,0,0
6739 COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1,0,0,,0,0,0,0
6740 CCOP(=S)(OCC)SCSC(C)(C)C,0,0,0,0,,0,0
6741 C1C2OC2C3C1C4CC3C5OC45,0,0,0,0,0,0,0
6742 CC(C)(C)C(=O)c1ccccc1,0,,0,0,0,0,0
6743 CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC(=O)O2,0,1,0,,0,,1
6744 CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n2cncn2,,1,,,,,1
6745 CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C,0,,0,0,0,0,0
6746 CCCCCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0
6747 CC(=CCCl)Cl,0,,0,,,0,0
6748 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,0,0,0,0,0,0,0
6749 CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,,,0,0,0,0,0
6750 CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2,0,1,0,,,0,1
6751 ClCC(=O)c1ccc(Cl)cc1Cl,0,1,1,1,,1,1
6752 CC1N2Cc3c(Cl)cccc3N=C2NC1=O,0,,1,0,,,1
6753 Cc1c[nH]cn1,0,0,0,0,0,0,0
6754 OC(=O)c1ccc2cc(ccc2c1)C(=O)O,,0,0,0,0,0,0
6755 OC(=O)C1=CN(c2ccccc2C(=O)O)c3cc(Cl)c(Nc4c(F)cc(F)cc4Cl)cc3C1=O,0,0,0,0,0,0,0
6756 CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1,0,0,0,0,0,0,0
6757 CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O,0,0,0,0,0,0,0
6758 Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,0,0,0,0,0,,0
6759 CC1=CC(=O)NO1,0,0,0,0,0,0,0
6760 CC(C)CCOC(=O)CC(C)C,0,0,0,0,0,0,0
6761 CN(C)C(=O)Oc1ccc[n+](C)c1,,0,1,0,0,0,1
6762 CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O,0,,,0,1,,1
6763 FC(OC(F)(F)F)C(F)(F)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl,,,,,0,,0
6764 CCCCc1ncc(C=C(Cc2cccs2)C(=O)O)n1Cc3ccc(cc3)C(=O)O,0,0,0,0,0,0,0
6765 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1,0,0,0,0,1,,1
6766 CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24,,,,0,,,0
6767 OCCCCCCCCCCCCBr,,,1,0,,,1
6768 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,0,0,0,0,0,0,0
6769 ClC(Cl)C(Cl)(Cl)Cl,0,,0,0,0,0,0
6770 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,0,0,0,0,,0,0
6771 CCCCCCCCC(=O)O,0,0,0,0,0,0,0
6772 COC1=NN(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)C(=O)N1C,0,0,0,0,0,0,0
6773 Oc1ccccc1S(=O)(=O)c2ccc(OCc3ccccc3)cc2,,1,,,,,1
6774 CCCCN(CCCC)CCCC,0,0,0,0,0,0,0
6775 Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-],1,0,,0,,0,1
6776 CC1=CC(=O)CC(C)(C)C1,0,0,0,0,0,0,0
6777 Nc1nc2ccccc2n1Cc3ccc(F)cc3,,1,,,,,1
6778 C1C=CC=C1,0,0,0,0,0,0,0
6779 OC(COC(=O)C=C)COc1ccccc1,,1,,,,1,1
6780 COc1ccc(C=CC(=O)OCCC(C)C)cc1,,1,0,1,0,,1
6781 Cc1cccc(O)c1C,0,0,0,0,0,0,0
6782 CC(CCC(=O)O)C1CCC2C3C(CC(=O)C12C)C4(C)CCC(=O)CC4CC3=O,0,0,0,,,0,0
6783 CCc1ccccc1N,0,0,0,0,0,0,0
6784 O=C1C(=C1c2ccccc2)c3ccccc3,,1,1,,,1,1
6785 Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1,,,,1,,,1
6786 Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2,0,0,0,0,0,0,0
6787 CCOc1ccc(cc1)C(C)(C)COCc2cccc(Oc3ccccc3)c2,0,0,0,0,0,0,0
6788 [O-][N+](=O)c1ccccc1,0,0,0,0,0,0,0
6789 CC(=O)SCC(CC(=O)c1ccc(C)cc1)C(=O)O,0,0,0,0,0,0,0
6790 CN1CCC23CCCCC2C1Cc4ccc(O)cc34,1,,0,0,0,,1
6791 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4,1,1,,1,,,1
6792 CCCCCNCCCCC,0,0,0,0,0,0,0
6793 Cc1cc(O)nc(S)n1,0,0,0,0,0,0,0
6794 CCCCN(CCCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,1,,,0,,1,1
6795 CCCCCCCCCCCCc1ccc(O)cc1,,1,,,,,1
6796 CC1=CCC2CC1C2(C)C,0,0,0,0,0,0,0
6797 OC(O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
6798 CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c2cncnc2,,,,0,1,0,1
6799 CCC1(CCCCN(C)C1)c2cccc(O)c2,0,0,0,0,0,0,0
6800 CC(=O)C(Cl)Cl,,0,0,0,0,0,0
6801 OCC1(CO)COC(OC1)C(Cl)(Cl)Cl,0,,0,0,0,,0
6802 OCC1(O)OCC(O)C(O)C1O,0,0,0,0,0,0,0
6803 CCCCCCCCCCCCCCCC(O)C(N)CO,0,0,0,0,,0,0
6804 Cc1ccc2ccccc2n1,0,0,0,0,0,0,0
6805 COc1ccccc1OCC(O)COC(=O)N,0,0,0,0,0,0,0
6806 C[S+](C)CCC(N)C(=O)O,0,,0,0,0,,0
6807 CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,0,0,0,0,0,0,0
6808 COC(=O)c1cccc(c1)C(=O)OC,0,0,0,0,0,0,0
6809 NC(=O)C1c2ccccc2CCc3ccccc13,0,,0,0,0,,0
6810 CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C)C(=O)C,1,,1,0,1,,1
6811 Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F,,1,,,,,1
6812 COc1ccccc1OC,0,0,0,0,0,0,0
6813 COC1C(CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(OC(=O)CC(C)C)C(C)O4)C(C3O)N(C)C)OC(=O)C,,,1,0,,,1
6814 CC(C)CCON=O,0,0,0,0,0,0,0
6815 CC(C)COC(=O)C=C,0,0,0,0,,0,0
6816 COc1ccc(OC)cc1,0,0,0,0,0,0,0
6817 Oc1c(Cl)cc(Cl)c2cccnc12,,1,1,,,,1
6818 OC(=O)c1ccc(cc1)n2nc(nc2c3ccccc3O)c4ccccc4O,1,1,1,,,,1
6819 CCCCCCCCCCCCC(=O)O,,,0,0,0,0,0
6820 OCCN1CCNCC1,0,0,0,0,,0,0
6821 CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccc(Cl)cc2)c3ccc(C)cc3,,1,,,,,1
6822 CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,,0,0,0,0,0,0
6823 COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl,0,0,0,0,0,,0
6824 CCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1,,1,,,,0,1
6825 Cc1ccc(N)cc1,0,0,0,,0,0,0
6826 O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2,0,0,0,0,0,0,0
6827 CCOC(=O)c1ccc(nc1)C#Cc2ccc3SCCC(C)(C)c3c2,0,1,,1,1,0,1
6828 COC(OC)C=C(C)CCC=C(C)C,,0,,0,0,0,0
6829 OC1C(O)C(O)(COP(=O)(O)O)OC1COP(=O)(O)O,0,,0,0,0,,0
6830 [O-][N+](=O)OC1COC2C(COC12)O[N+](=O)[O-],,0,0,0,0,0,0
6831 CCOc1ccc(O)cc1,0,,0,1,,,1
6832 Clc1ccc(C(Cn2ccnc2)OCc3csc4c(Cl)cccc34)c(Cl)c1,,,,1,,,1
6833 CC(N)C12CC3CC(CC(C3)C1)C2,,0,0,0,0,0,0
6834 COC(=O)Cc1cccc2ccccc12,0,0,0,0,0,0,0
6835 OC1COC(O)C(O)C1O,0,0,0,0,0,0,0
6836 CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,1,1,,,,0,1
6837 CC(C)(O)C(=O)c1ccc(OCCO)cc1,0,0,0,0,0,0,0
6838 Nc1c(Cl)cc(Cl)cc1Cl,0,0,0,0,,0,0
6839 CCOC(=O)CC(=O)CCl,1,1,,,,1,1
6840 Nc1nc(cs1)C(=NOCC(=O)O)C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)C=C,0,,0,0,0,,0
6841 OC(=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
6842 Oc1ccc(Cc2ccccc2O)cc1,,1,0,0,,1,1
6843 COC(OC)(C(=O)c1ccccc1)c2ccccc2,0,1,0,,0,0,1
6844 OCCN1CCOCC1,0,,0,0,,0,0
6845 CCC=O,0,,0,0,,0,0
6846 CNCC(O)c1ccc(O)cc1,0,0,0,0,0,0,0
6847 CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23,0,0,0,0,0,0,0
6848 CN(C)CCCCl,0,0,0,0,,0,0
6849 CCCCCCCCCCCCCCCCN,0,0,0,0,0,,0
6850 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1,0,0,,0,0,0,0
6851 COCC(O)CO,,0,0,0,0,0,0
6852 ClCCBr,0,0,0,0,0,0,0
6853 CC(C)(C)c1ccc(C=C)cc1,0,0,0,0,0,0,0
6854 OCc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
6855 OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O,0,0,0,0,0,0,0
6856 CC(C)CC=O,0,0,0,0,0,0,0
6857 CSC(=O)c1c(CC(C)C)c(C(=O)SC)c(nc1C(F)F)C(F)(F)F,1,,,,,0,1
6858 CC(=O)NO,0,0,0,0,0,0,0
6859 Oc1c(I)cc(I)c2cccnc12,,1,1,0,1,,1
6860 CCCCCCCC1CCC(=O)O1,0,0,,0,0,0,0
6861 NC(=N)c1ccccc1,0,0,0,0,0,0,0
6862 ClC(=O)c1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0
6863 CC(N)C(O)c1ccc(O)c(O)c1,0,0,0,0,,0,0
6864 OC(=O)CCC(=O)OCCOC(=O)C=C,,,1,,,1,1
6865 Oc1ccc2CC3N(CC4CC4)CCC56C(Oc1c25)C(=O)CCC36O,0,0,0,0,0,0,0
6866 Cc1ccc(cc1)C(=O)c2ccccc2,0,0,0,,0,0,0
6867 CCOC(=S)SSC(=S)OCC,0,0,0,0,0,0,0
6868 Cc1ccc(N=Nc2c(O)ccc(N=Nc3ccc(cc3)S(=O)(=O)O)c2O)c(C)c1,0,0,0,0,,0,0
6869 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccccc5S(=O)(=O)O,,,0,,,0,0
6870 NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O,0,,0,0,0,,0
6871 FC1(F)Oc2cccc(c2O1)c3c[nH]cc3C#N,1,1,,1,,1,1
6872 NC(=O)N,0,0,0,0,0,0,0
6873 C1CN=C(N1)C2CC2(c3ccccc3)c4ccccc4,,,0,0,0,,0
6874 ClCCNC(=O)N(CCCl)N=O,0,0,0,0,0,0,0
6875 CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C,1,1,,,,1,1
6876 CC(CCO)CCc1ccccc1,0,0,0,0,0,0,0
6877 CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,0,,0,0,0,0,0
6878 CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,0,0,0,0,0,0,0
6879 COc1ccc2sc(C(=O)Nc3nn[nH]n3)c(OC(C)C)c2c1,,1,,1,,1,1
6880 Cc1nc(O)c(cc1c2ccc3nccn3c2)C#N,0,0,0,0,,0,0
6881 CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O,0,0,0,0,,0,0
6882 CCOc1cc(N)c(Cl)cc1C(=O)NCC2CN(Cc3ccc(F)cc3)CCO2,0,0,0,0,,1,1
6883 CN(C)C(=O)CC(=O)C,0,0,0,0,0,0,0
6884 CN(Cc1ccc(cc1)C(C)(C)C)Cc2cccc3ccccc23,0,0,0,0,,,0
6885 Clc1cccc(c1)c2cc(Cl)cc(Cl)c2,0,,0,0,0,0,0
6886 COc1ccc(Nc2ccccc2)c(C)c1,,0,0,0,0,0,0
6887 CCCCCCCCc1ccc(O)cc1,,1,0,,,0,1
6888 CCC(=O)OCCc1ccccc1,0,0,0,,0,0,0
6889 CCCCCON=O,0,0,0,0,0,0,0
6890 OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,0,0,0,0,0,0,0
6891 N#Cc1ccccc1C#N,0,0,0,,0,0,0
6892 CC1OC1P(=O)(O)O,0,,0,0,0,,0
6893 CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,,0,0,,,0,0
6894 Nc1nc(N)nc(Cl)n1,0,0,0,0,0,0,0
6895 CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,1,1,,,,,1
6896 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3,0,0,0,0,0,0,0
6897 CCCCC(C)C(=O)O,0,0,0,0,0,0,0
6898 Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I,,,0,,,0,0
6899 CCN(CC)C(=O)c1ccc(cc1)C(N2CC(C)N(CC=C)CC2C)c3cccc(OC)c3,,0,0,0,,0,0
6900 CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)n4nc5ccccc5n4,0,0,0,0,0,0,0
6901 COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C2c3cc4OCOc4cc3CCN5CCCC25C=C1OC,1,1,1,1,,,1
6902 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,,1,0,0,,0,1
6903 CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0,,0,,,,0
6904 CCCCCCCCc1ccc(cc1)S(=O)(=O)O,0,1,0,0,,1,1
6905 Clc1ccccc1Cl,0,0,0,0,0,0,0
6906 CCC(=O)OC1C(CC2C3CCC4CC(OC(=O)C)C(CC4(C)C3CCC12C)N5CCCCC5)[N+]6(CC=C)CCCCC6,0,0,0,0,0,0,0
6907 CCN(CC)c1cc2OC3=CC(=[N+](CC)CC)C(=CC3=C(c2cc1C)c4ccc(cc4S(=O)(=O)O)S(=O)(=O)O)C,,,0,,,0,0
6908 CN(C)CCC(c1ccccc1)c2ccccn2,0,0,0,0,0,0,0
6909 [O-][N+](=O)c1oc(C=NN2CCOC2=O)cc1,1,1,0,,,,1
6910 O=C1CCC(=O)O1,0,0,0,0,0,0,0
6911 Cc1c(Cl)cccc1Cl,0,0,0,0,0,0,0
6912 CC(C)C(=O)O,0,0,0,0,,0,0
6913 CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc4ccccc14,1,1,,,,,1
6914 Clc1ccc2nsnc2c1NC3=NCCN3,0,0,,0,,0,0
6915 ClCCCCBr,0,0,0,0,0,0,0
6916 CCCCCCCCCCCCCCCCCCCl,0,0,0,0,0,0,0
6917 ClP(=O)(Cl)Cl,0,0,0,0,0,0,0
6918 CC(C)(CO)COC(=O)C(C)(C)CO,0,0,0,0,0,0,0
6919 OC(=O)c1ccc(O)cc1,0,0,0,0,0,0,0
6920 CC(Cl)CCl,0,0,0,0,0,0,0
6921 OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F,1,1,0,1,1,,1
6922 CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,0,,0,0,0,,0
6923 CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1,,,0,1,0,0,1
6924 CCC(O)OC(O)CC,0,0,0,0,0,0,0
6925 CCC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O,,,,0,0,,0
6926 OCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3,0,0,0,0,0,0,0
6927 Brc1ccc(Br)cc1,0,0,0,0,0,0,0
6928 Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1,0,0,0,0,,0,0
6929 NC1(CCCCC1)C#N,0,,0,0,0,0,0
6930 Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3,0,0,0,0,0,0,0
6931 NC(=O)c1ncn(n1)C2OC(CO)C(O)C2O,0,1,1,1,,1,1
6932 Cc1ccc(C)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0
6933 c1ccc(cc1)c2nc3ccccc3[nH]2,,1,,,,,1
6934 CCCCC(CC)COC(=O)c1ccccc1C(=O)O,,,,0,,1,1
6935 C1OCOCO1,0,,0,,,0,0
6936 S=C=Nc1cccc2ccccc12,1,,,,0,,1
6937 CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C,1,,0,0,0,,1
6938 CCC(C)(C)C1CCC(CC1)OC,0,0,0,,0,,0
6939 CCCCCCCCC=C,0,0,0,0,0,0,0
6940 CN(C)C1C2CC3C(=C(O)C2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)ccc(Cl)c4C3(C)O,,,0,,0,,0
6941 CCCCCCCC(=O)OCCCCCC,0,0,0,0,,0,0
6942 CN(C)C(C)(C)CO,0,0,0,0,0,0,0
6943 CCOC(=O)C1=CC2(CC)CCCN3CCc4c(C23)n1c5ccccc45,,0,0,0,,0,0
6944 [O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,0,,,,0,0,0
6945 NCC(O)c1ccc(O)cc1,0,0,0,0,0,0,0
6946 CS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F,0,0,0,0,0,,0
6947 COC(=O)CCC(=O)OC,0,0,0,0,0,0,0
6948 CC1CCC(=O)O1,0,0,0,0,0,0,0
6949 Cc1ncc(COP(=O)(O)O)c(C=O)c1O,0,0,0,0,0,0,0
6950 CC(C)CC(N(C)C)C1(CCC1)c2ccc(Cl)cc2,0,0,0,0,,0,0
6951 CCCCCCOC(=O)C,0,0,0,0,0,0,0
6952 ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,1,1,1,1,,0,1
6953 CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2,,,0,,,0,0
6954 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(=O)O,0,0,0,0,0,,0
6955 Clc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(c1)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4,0,,,0,,1,1
6956 O=S1(=O)CCCO1,0,0,0,0,0,0,0
6957 CSc1ccc(C=C2C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1,,,,0,1,1,1
6958 NCCCCC(NC(=O)C1CCCN1C(=O)C2CSSCC(N)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc4ccccc4)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,0,,0,0,0,,0
6959 COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,1,1,1,0,0,,1
6960 CC1=C(C)C(=O)C(=C(C)C1=O)C(CCCCCC(=O)O)c2ccccc2,0,0,0,0,0,0,0
6961 CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(=O)C,1,,1,1,1,0,1
6962 CC(C)(O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0
6963 CC(C)OC(=S)S,,,0,,1,,1
6964 COC1CC(OC2C(C)C=CC=C3COC4C(=NO)C(=CC(C(=O)OC5CC(CC=C2C)OC6(CCC(C)C(O6)C7CCCCC7)C5)C34O)C)OC(C)C1O,0,,0,0,,,0
6965 Cc1ccc(cc1Cl)[N+](=O)[O-],0,0,0,0,0,0,0
6966 CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O,1,1,,1,,1,1
6967 CC(CNC1CCCCC1)OC(=O)c2ccccc2,0,0,0,0,0,0,0
6968 OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1,,,0,0,,,0
6969 CCNCC,0,0,0,0,0,0,0
6970 CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C,0,,0,0,0,,0
6971 NC1=NC(=O)N(CC(CO)OCP(=O)(O)O)C=C1,0,1,0,0,0,,1
6972 CC(=O)c1ccc(C)cc1,0,0,0,0,0,0,0
6973 OC(=O)c1c(Cl)ccc2cc(Cl)cnc12,0,0,0,0,0,0,0
6974 CNC(=O)CSP(=O)(OC)OC,0,0,0,0,0,0,0
6975 CN1C(C)(C)CCCC1(C)C,0,0,0,0,0,0,0
6976 CC(C)c1ccc(CO)cc1,0,,0,0,0,0,0
6977 CN(C)C1C2CC3Cc4c(ccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O)N(C)C,0,0,0,0,0,0,0
6978 CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C,0,0,0,0,0,0,0
6979 CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1,0,0,0,0,,0,0
6980 CC1CCC2C(C)(C)C3CC12CCC3(C)O,0,,0,0,,0,0
6981 Cc1ccccc1N=Nc2ccc(N)c(C)c2,1,1,1,,,1,1
6982 CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2,,1,1,0,,1,1
6983 CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,0,0,0,0,0,0,0
6984 COC(=C1C(C(=C(C)N=C1C)C(=O)OCCCN2CCC(CC2)(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])O,,1,,,,1,1
6985 CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1,,1,1,1,,1,1
6986 OC1(O)C(=O)c2ccccc2C1=O,,,0,,,,0
6987 CCCCCCCN,0,0,0,0,0,0,0
6988 CCC(=O)OC1(CCN(C)CC1)c2ccccc2,,0,0,0,,0,0
6989 CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1,,,,1,,,1
6990 C1CCOC1,0,0,,,0,,0
6991 CN(C)C(=S)S,,1,,1,1,,1
6992 CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,,1,1,1,,,1
6993 CC(C)NCC(O)COc1ccccc1OCC=C,0,0,,0,0,0,0
6994 CCCCC(CC)CN,,0,0,0,0,0,0
6995 COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1,0,0,0,0,0,0,0
6996 CC(=Cc1ccccc1)C=O,,,,,0,0,0
6997 Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,0,0,0,0,,0,0
6998 FC(F)(F)c1ccccc1,0,0,0,0,0,0,0
6999 CCCCC(CC)CO,0,0,0,0,0,0,0
7000 CCNCC(O)c1cccc(O)c1,0,,0,0,0,,0
7001 Cc1cc(ccc1O)C(C)(C)c2ccc(O)c(C)c2,,1,1,,1,,1
7002 N(c1ccccc1)c2cccc3ccccc23,1,1,0,,,0,1
7003 CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,0,0,0,,1,0,1
7004 COC(=O)C=C(C)OP(=O)(OC)OC,1,,,1,0,1,1
7005 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,1,1,,,,,1
7006 O=C1OCCO1,0,0,0,0,,0,0
7007 COC1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)C3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C,,,0,0,0,,0
7008 CC1CN(CC(C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O,0,0,,0,0,0,0
7009 CCOP(=O)(OCC)SCCSCC,0,0,0,0,0,0,0
7010 CCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)COC(=O)CC,1,1,1,1,0,,1
7011 CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C,0,0,0,0,0,0,0
7012 CC(c1ccccc1)(c2ccc(O)cc2)c3ccc(O)cc3,,1,,,,,1
7013 CC(C)Nc1ccc(Nc2ccccc2)cc1,,1,,,,,1
7014 CN(C)c1ccc(C=O)cc1,0,0,0,0,0,0,0
7015 Cc1cccc(Nc2ccccc2)c1,,0,0,1,,0,1
7016 CC(=O)OCc1ccccc1,0,0,0,0,0,0,0
7017 CCCc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc3ccc(CCC)cc3OC)c(OC)c1,,1,,,,,1
7018 [O-][N+](=O)c1ccc(NC(=O)NCc2cccnc2)cc1,,0,0,0,,0,0
7019 N(c1ccccc1)c2ccc(Nc3ccccc3)cc2,,1,,1,,1,1
7020 COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC,0,0,0,0,0,0,0
7021 CCOCCOCC,0,0,0,0,0,0,0
7022 c1c[nH]cn1,0,0,0,0,0,0,0
7023 CNC1(C)C2CCC(C2)C1(C)C,0,0,0,0,0,0,0
7024 CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4,0,,0,0,,,0
7025 Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,,,0,,,,0
7026 Oc1c(Cl)c(Cl)cc(Cl)c1Cl,,1,,1,,1,1
7027 CCOCCOCCOC(=O)C,0,0,0,0,0,0,0
7028 CC1OC(C)OC(C)O1,0,0,0,0,0,0,0
7029 Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1,0,0,0,0,0,0,0
7030 CCN(CC)CCOc1ccc2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc23,,1,1,1,,0,1
7031 CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2,1,1,,1,,0,1
7032 NC(=O)N(O)C1CC(Oc2cccc(Oc3ccc(F)cc3)c2)C=C1,1,1,1,,,,1
7033 COC(C)(C)CCO,0,0,0,0,0,0,0
7034 CC1(C)C2CCC1(C)C(C2)OC(=O)CSC#N,,,0,0,0,,0
7035 O=C1C=CC(=O)C=C1,0,0,0,0,0,0,0
7036 CSCCC=O,0,0,0,0,0,0,0
7037 COCCOCC(CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)Oc3ccc4CCCc4c3,0,0,0,0,0,0,0
7038 COc1ccc2CC3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)C(Cc8ccc(Oc1c2)cc8)c57)cc34,,,0,0,,,0
7039 OC(C=CC1C(O)CC2OC(=Cc3cccc(c3)C(=O)O)CC12)C4CCCCC4,,,0,0,0,1,1
7040 NC(=O)c1ccc(cc1Cl)[N+](=O)[O-],0,0,0,0,0,0,0
7041 CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,,1,1,1,1,0,1
7042 Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,,0,0,0,0,,0
7043 FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl,,1,1,1,,,1
7044 CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,,0,,0,,,0
7045 CCNc1nc(NC(C)(C)C)nc(SC)n1,,,0,0,1,,1
7046 CCN(CCO)c1cccc(C)c1,0,,0,0,0,0,0
7047 NCc1ccccc1Sc2ccccc2CO,0,0,0,0,0,0,0
7048 CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,0,,0,0,,,0
7049 COc1ccc(CCC(=O)C)cc1,0,0,0,0,0,0,0
7050 Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,,0,,0,0,,0
7051 CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC,,,,0,,,0
7052 CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,0,0,,0,1,,1
7053 CC1=Nc2ccc3ccccc3c2C1(C)C,,1,,,0,0,1
7054 CN(CC(CC[N+]12CCC(CC1)(CC2)C3CCCCC3)c4ccc(Cl)c(Cl)c4)C(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F,,,,,,0,0
7055 CS(=O)(=O)c1ccc(cc1)c2cn3ccccc3n2,,1,,,,,1
7056 CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,0,,1,0,,,1
7057 Cc1cccc(C(=O)O)c1O,0,0,0,0,0,,0
7058 CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C,1,1,,1,1,1,1
7059 Cc1cc(O)c(Cl)c(C)c1Cl,,,0,,,,0
7060 CCCCOc1ccc(N)cc1,,1,0,0,0,0,1
7061 OC1=C(C2CCCc3ccccc23)C(=O)Oc4ccccc14,1,0,0,0,,1,1
7062 CC(C)NCC1CCc2cc(CO)c(cc2N1)[N+](=O)[O-],0,,0,0,0,,0
7063 ONc1ccc(cc1)N=O,1,1,0,,,0,1
7064 CC(C)C(=O)OC(=O)C(C)C,0,,0,0,0,0,0
7065 CCc1cccc(CC)c1N,0,0,0,0,0,0,0
7066 NC(=O)NC(=O)Cc1ccccc1,0,0,0,0,0,0,0
7067 CC#Cc1cc(C)nc(Nc2ccccc2)n1,1,1,,1,,0,1
7068 FC(F)(F)C(=NOCC1OCCO1)c2ccc(Cl)cc2,0,0,0,0,0,0,0
7069 O=C1NC(=O)c2c[nH]nc2N1,0,0,0,0,0,0,0
7070 CCC(C)COC(=O)C,0,0,0,0,0,0,0
7071 CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2,0,,0,0,0,,0
7072 ClC=C(Cl)Cl,0,0,0,0,0,0,0
7073 CCCC[n+]1ccccc1,0,0,0,0,0,0,0
7074 COc1cccc(OC)c1C(=O)O,,0,0,0,0,0,0
7075 CC(C)c1cccc(C(C)C)c1N2C(=O)c3ccc(O)cc3C2=O,1,1,,1,1,1,1
7076 CCN(CC)c1ccc2C(=C3C=CC(=[N+](CC)CC)C=C3Oc2c1)c4ccccc4C(=O)O,,,1,,,,1
7077 Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,1,1,,,,1,1
7078 CC(CCC=C(C)C)C=C,0,0,0,0,0,0,0
7079 ClC(Cl)c1ccccc1,0,0,0,0,0,0,0
7080 ClC(Cl)(Cl)Cl,0,0,0,0,0,0,0
7081 NCC1CCC(CC1)C(=O)Oc2ccc(CCC(=O)O)cc2,,1,0,1,0,0,1
7082 Clc1cccc(Cl)c1C#N,0,0,0,0,0,0,0
7083 COC(=O)C(=C)C,0,0,0,0,0,0,0
7084 ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl,1,1,,,,,1
7085 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,0,,0,0,0,0,0
7086 c1cc(ccn1)c2ccncc2,0,,0,0,0,0,0
7087 CC(=C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C,,0,0,0,0,0,0
7088 CC1=C(CCN2CCC(CC2)C(=O)c3ccc(F)cc3)C(=O)N4C=CC=CC4=N1,0,1,0,0,,0,1
7089 Cc1ccccc1N=O,0,0,0,0,0,0,0
7090 CCCCCC(C)N,0,0,0,0,0,0,0
7091 CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N,0,0,0,0,0,0,0
7092 CC1(C)CC(=O)CC(C)(C)N1,0,,0,0,0,0,0
7093 COc1cc(cc(OC)c1OP(=O)(O)O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26,,,,0,,,0
7094 OC(=O)COc1nn(Cc2ccccc2)c3ccccc13,,0,0,0,0,0,0
7095 Cc1occc1C(=O)Nc2ccc(cc2)C(=O)N3CCC(F)(F)C(=CC(=O)N4CCC(CC4)N5CCCCC5)c6ccccc36,,,0,0,,0,0
7096 OCCc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1,,,,,,1,1
7097 O=C=NCCCCCCN=C=O,0,0,0,0,0,0,0
7098 CC(=O)Oc1cccc(C(=O)O)c1OC(=O)C,0,,0,0,0,,0
7099 NC(=O)c1n[nH]c(n1)c2cccc(c2)c3cc(F)ccc3OCC(F)(F)C(F)(F)F,,1,,,,,1
7100 NC(=O)NN=Cc1oc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0
7101 Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0,,0,0,0,0,0
7102 ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl,1,1,0,,,0,1
7103 CCCSSCCC,0,0,0,0,0,0,0
7104 CCCC(=O)OC,0,0,,0,0,0,0
7105 CC1(CCCCC1)C(=O)Nc2ccc(O)c(Cl)c2Cl,1,1,1,0,,0,1
7106 CC(C)(C)C(=O)NCCCC(=O)O,0,0,,0,,0,0
7107 CC(C)CCCCCOC(=O)C=C,0,0,0,0,0,0,0
7108 CC(=C)C(=O)OCCCCOC(=O)C(=C)C,0,0,0,,0,0,0
7109 ClC(=O)c1ccccc1,0,0,0,0,0,0,0
7110 CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN2CCOC2C(C)C,0,0,0,0,0,0,0
7111 O=C(Nc1ccccc1SSc2ccccc2NC(=O)c3ccccc3)c4ccccc4,,1,,,,1,1
7112 CC12CCC3C(CCc4cc(OS(=O)(=O)O)ccc34)C1CCC2=O,0,1,,0,0,,1
7113 Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br,0,0,0,0,0,0,0
7114 OC(Cc1cnc2ccccn12)(P(=O)(O)O)P(=O)(O)O,0,,0,0,0,,0
7115 CCCN1CC(CSC)CC2C1Cc3c[nH]c4cccc2c34,0,1,0,0,,0,1
7116 OC(=O)CCCc1c[nH]c2ccccc12,,0,0,0,0,0,0
7117 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C,1,,1,0,,,1
7118 Cc1c(O)cccc1O,0,,0,0,0,0,0
7119 COc1cc(ccc1N=C=O)c2ccc(N=C=O)c(OC)c2,0,0,0,0,0,0,0
7120 Nc1cc(Cl)c(O)c(Cl)c1,,,0,,,1,1
7121 CCC(C)C1CCCCC1=O,0,0,0,0,0,0,0
7122 [O-][N+](=O)C1(Br)COCOC1,,1,1,,,,1
7123 CCCCCCCCCCCC#N,0,0,0,0,0,0,0
7124 Oc1ccc(c2cccnc12)S(=O)(=O)O,0,0,0,0,0,0,0
7125 COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,,,0,0,,1,1
7126 CCCC1(CCC1)C(O)CC=CC2C(O)CC(=O)C2CCCCCCC(=O)OC,,1,,,,,1
7127 CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC2CCOC2)S(=O)(=O)c3ccc(N)cc3,,,0,0,0,,0
7128 OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,0,0,0,0,0,,0
7129 OP(=O)(O)C(Cl)(Cl)P(=O)(O)O,0,,0,0,0,,0
7130 Cc1cccc(N)n1,0,0,0,0,0,0,0
7131 CC(CN1CCCCC1)C(=O)c2ccc(C)cc2,0,0,0,0,0,0,0
7132 Clc1cc(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0
7133 CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13,,1,0,,,1,1
7134 NCc1cccc(CN)c1,0,0,0,0,0,0,0
7135 CCC(C)(O)CCC=C(C)C,0,0,0,0,0,0,0
7136 [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,0,0,0,0,0,0,0
7137 Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1,0,,0,0,0,,0
7138 NNC(=O)CC#N,0,0,0,0,0,0,0
7139 ClN1C(=O)NC(=O)N(Cl)C1=O,0,0,0,0,0,0,0
7140 CC(O)COCC(C)O,0,0,0,0,0,0,0
7141 CC(=O)c1ccc2c(Cc3ccccc23)c1,,1,1,1,0,0,1
7142 CC(C(=O)O)c1ccc2Sc3ccccc3C(=O)Cc2c1,0,0,0,0,,1,1
7143 CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,0,,,0,0,,0
7144 CC1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4,0,0,0,0,0,0,0
7145 CC(=O)C1CCOC1=O,0,0,0,0,0,0,0
7146 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,0,0,0,0,,0,0
7147 COc1ccc(CN2CCNCC2)c(OC)c1OC,0,0,0,0,0,0,0
7148 CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C,0,,0,0,0,0,0
7149 CC(C)OCC1CO1,0,0,0,0,0,0,0
7150 CC(O)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,0
7151 Oc1ccc(cc1S(=O)(=O)O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S(=O)(=O)O,,0,0,0,0,0,0
7152 [O-][N+](=O)c1ccc2c(Cc3ccccc23)c1,0,0,,1,0,0,1
7153 CC(=CCCC(=CC(=O)O)C)C,0,0,0,0,0,0,0
7154 Cc1cc(C)c(NC(=O)CC(CC(=O)O)c2cccc3ccccc23)c(c1)C(=O)N4CCC5(CCCC5)CC4,0,,1,0,0,,1
7155 N#Cc1ccccc1,0,0,0,0,0,0,0
7156 COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C,1,,0,0,1,,1
7157 OCC(O)C(O)C(O)C(O)CO,0,0,0,0,0,0,0
7158 Oc1ccccc1C(=O)Nc2ccccc2,1,,0,1,1,,1
7159 CCCCCOC(=O)c1ccc(O)cc1,1,1,0,,,,1
7160 CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(cccc5nc34)[N+](=O)[O-])C2=O,1,1,1,,1,,1
7161 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,0,,0,0,0,0,0
7162 OC(=O)c1c(I)cc(I)c(NC(=O)COCCOCCOCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,0,0,0,0,0,0,0
7163 CC=C(C(=CC)c1ccc(O)cc1)c2ccc(O)cc2,1,1,1,0,,,1
7164 CC(=O)c1nccs1,0,0,0,0,0,0,0
7165 CCCCCCCC=CC=O,,,,0,0,1,1
7166 CCS(=O)(=O)C(C)(C)S(=O)(=O)CC,,0,0,0,0,0,0
7167 COC(=O)C1CCC(CC1)C(=O)OC,0,0,0,0,0,0,0
7168 CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C,0,0,0,0,0,0,0
7169 CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC,0,,0,0,0,,0
7170 CC(C)C1CCC(CC1)C(=O)NC(Cc2ccccc2)C(=O)O,,0,,1,0,,1
7171 CCN=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC)c4ccccc14,,1,,1,,,1
7172 COc1ccc(CN2CCN(CC2)C(c3ccc(F)cc3)c4ccc(F)cc4)c(OC)c1OC,,,1,0,,,1
7173 CCCCOC(=O)C=C,,0,0,0,0,0,0
7174 CN(Cc1ccc(Cl)nc1)C(=NC#N)C,0,0,0,0,0,0,0
7175 CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1,,1,0,1,1,0,1
7176 CC(C)OC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3,1,1,1,1,,,1
7177 CC(C)(Cl)[N+](=O)[O-],0,0,0,0,0,0,0
7178 C1CC(C2=NCCN2)c3ccccc3C1,0,0,0,0,0,0,0
7179 COP(=S)(N)Oc1ccccc1C(=O)OC(C)C,0,0,0,0,0,0,0
7180 CC(CN(C)C)CN1c2ccccc2CCc3ccccc13,0,0,0,0,,1,1
7181 CC(C)C(=O)OCCOc1ccccc1,0,0,0,0,0,0,0
7182 OC(=O)CCCCCCCCC(=O)O,0,,0,0,0,0,0
7183 BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,,0,,,,0,0
7184 CC(C)(C#N)C(C)(C)C#N,0,0,,0,0,0,0
7185 [O-][N+](=O)c1ccc(Cl)cc1Cl,0,0,0,0,0,0,0
7186 CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1,1,1,,,,1,1
7187 CC(CN)CC(C)(C)CCN,0,0,0,0,0,0,0
7188 [O-][N+](=O)c1oc(C=NN2CC(=O)NC2=O)cc1,1,1,0,,0,1,1
7189 Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3,,,,0,,,0
7190 OC1(CCCCC1)C(=O)c2ccccc2,0,0,,0,0,0,0
7191 Oc1c(Br)c2ccccc2nc1C3C(=O)c4ccccc4C3=O,0,,0,0,0,0,0
7192 CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,,1,1,,,,1
7193 CCCCCC#CC(=O)OC,0,0,0,0,0,0,0
7194 CC(=C)C(=O)OCC1CO1,0,0,0,0,0,0,0
7195 NCCCN1CCN(CCCN)CC1,,0,0,0,0,0,0
7196 N#CCCNCCC#N,0,0,0,0,0,0,0
7197 CCC1C2CC3C4N(C)c5ccccc5C46CC(C2C6O)N3C1O,0,,0,0,0,,0
7198 Cc1ccccc1OP(=O)(Oc2ccccc2C)Oc3ccccc3C,,,,1,,,1
7199 O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2,0,0,0,0,0,0,0
7200 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,,,1,0,1,1,1
7201 Cc1cc(O)cc(C)c1Cl,0,0,0,0,0,0,0
7202 CCOc1nc2cccc(C(=O)O)c2n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5,0,1,,0,,,1
7203 CC(C)OC(=O)C(O)(CC(=O)O)CC(=O)O,0,0,0,0,,0,0
7204 COc1ccc(NC(=O)C)cc1,0,0,0,0,0,0,0
7205 CC(C)NCC(O)COc1cccc2[nH]ccc12,0,0,0,0,0,0,0
7206 Cc1ccc(O)c(C)c1,0,0,0,0,0,0,0
7207 CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC,,1,,1,1,0,1
7208 CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O,1,1,1,0,0,,1
7209 CCOC(=O)N(C)N=O,0,0,0,0,0,0,0
7210 CN(C)C(=S)SC(=S)N(C)C,1,1,1,,,,1
7211 CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,1,0,,0,0,0,1
7212 ON1CC(=O)N=C2C=CC(=CC2=C1c3ccccc3)Cl,0,,0,0,0,,0
7213 CC(C)c1cccc(C(C)C)c1N,0,0,0,0,0,0,0
7214 CCOS(=O)(=O)C,0,0,0,0,0,0,0
7215 CCCC(=O)N1CCCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2,0,,0,0,0,,0
7216 NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,0,0,,1,1,1,1
7217 CCCCNCC(O)c1ccc(O)cc1,0,,0,0,0,,0
7218 CC(C)CC(=O)C,0,,0,0,0,0,0
7219 CCNCC(=C)C,0,0,0,0,0,0,0
7220 CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O,1,1,,,,,1
7221 CCCOC(=O)CC,0,0,0,0,0,0,0
7222 Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O,0,1,,,,,1
7223 CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C,0,0,0,0,0,0,0
7224 CC(C)(S)C(N)C(=O)O,0,,0,0,0,,0
7225 Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,,1,0,0,0,0,1
7226 O=NN1CCCCCCC1,0,0,0,0,0,0,0
7227 Cc1ccccc1OCC(=O)O,0,0,0,0,0,0,0
7228 NC(=N)NC#N,0,0,0,0,0,0,0
7229 c1ccccc1,0,0,0,0,0,0,0
7230 CCNCCO,0,0,0,0,0,,0
7231 CCC[N+]1(C)CCCCC1,0,0,0,0,0,0,0
7232 CCCCCCc1ccc(O)cc1O,1,,,0,,1,1
7233 [O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2,0,0,0,0,,0,0
7234 CCCCCO,0,0,0,0,0,0,0
7235 CNC(=O)C(c1ccccc1)c2ccccc2,0,0,0,0,0,,0
7236 CN(C)CCc1c[nH]c2ccc(O)cc12,0,0,0,0,0,0,0
7237 CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3c(C)c2F)C4CC4,,0,0,0,0,0,0
7238 CC1(C)C(O)CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O,0,,1,0,,,1
7239 CCOc1ccccc1OC(C2CNCCO2)c3ccccc3,0,0,0,0,,0,0
7240 COc1ccc(OC)c(Cl)c1,0,0,0,0,0,0,0
7241 CCCCCCCCCCCCCC=O,0,0,0,0,0,0,0
7242 Oc1ccc(cc1)C(=O)OCc2ccccc2,1,1,0,,,1,1
7243 OCC=C,0,0,0,0,0,0,0
7244 CN(C)C1C2CC3C(=C(O)C2(O)C(=C(C(=O)NCNC(CCCCN)C(=O)O)C1=O)O)C(=O)c4c(O)cccc4C3(C)O,0,,0,0,0,,0
7245 Cc1ccc(cc1)C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2,0,,0,0,,,0
7246 CNC(=O)C=C(C)OP(=O)(OC)OC,0,0,0,0,0,0,0
7247 NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2CCCC2C(=O)O,0,0,0,0,0,,0
7248 CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C=CC=C(C)C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O,0,,0,0,0,,0
7249 CN=C(N)NC(=O)Nc1c(C)cccc1C,0,0,0,0,0,0,0