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CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1
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| 1
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| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cc(C)n2nc(CC(=O)NNC(=O)COc3cccc(C)c3C)nc2n1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | 0
| null | 0
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| 0
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| 0
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| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c(OC)c1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
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| null | 0
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| null | 0
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| 1
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| null | 1
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| null | 0
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| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(CCCOc1ccc(Cl)cc1Cl)NCCc1nnc2ccccn12
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | 0
| 0
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| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(Oc1cccc(Cl)c1)C(=O)O
| null | null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOC(=O)c1sc(-c2ccc(C)cc2)c(C#N)c1C
| null | 0
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| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OCC
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
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| null | 0
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| null | null | 0
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| null | 0
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| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Clc1nc(Cl)nc(Nc2ccccc2Cl)n1
| 0
| null | 0
| null | 0
| 0
| null | null | null | 0
| 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | 0
| null | 0
| 0
| 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
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| 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| null | null | 0
| 0
|
O=C(/C=C/c1ccccc1)c1ccccn1
| 0
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| 0
| null | 0
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| null | 0
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| 0
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| 0
| null | 0
| 1
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| null | 0
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| null | 0
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| null | 0
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| null | null | 0
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| null | 0
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| null | 1
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| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
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| 0
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| null | 0
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| null | 0
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| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
|
Nc1nc2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 1
| null | null | null | null | 0
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| null | null | null | null | null | null | 0
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| 1
| 1
| 0
| null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
NCCO/C=C/[C@H](N)C(=O)O
| null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | null | null | null | null | 0
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| null | null | null | null | null | null | null | null | null | null | 0
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| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
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| null | null | 0
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| 0
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| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc12
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| null | 0
| 0
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
| null | 0
| null | 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cccc(CN2CCN(Cc3ccc(O)cc3)CC2CCO)c1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)N2CCCCCC2)cc1
| 0
| 0
| 0
| 1
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 1
| 1
| 1
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cccc(OCCNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)C(=O)N2CCN(C)CC2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=c1cc(-c2ccncc2)oc2ccccc12
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
|
COc1cc(OC)c2c(=O)cc(-c3cccnc3)oc2c1
| null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cn1cccc1CC(=O)NNC(=S)NC(=O)c1ccccc1Br
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 1
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | null | null | 0
| null | 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(c1ccc(Br)o1)N1CCN(c2ccc(F)cc2)CC1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
CCN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(-c2nc(SC(C)C(=O)NC3CC3)n[nH]2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCN(CC)C(=O)c1cc2c(=O)c3cc(F)ccc3oc2nc1C
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1
| 1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 1
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C1NC(c2ccc(Br)cc2)Nc2ccccc21
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cn1c(=O)c2c(nc(N3CCOCC3)n2CCCNC2=NCCCCC2)n(C)c1=O
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCN(CC)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(/C=C/c2nc3ccccc3[nH]2)o1
| null | 1
| null | 0
| 0
| 1
| null | null | 0
| 0
| 0
| 0
| null | null | null | 1
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 1
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| null | 0
| 1
| 0
| 1
| null | null | null | 0
| 0
| 0
| 0
| null | null | null | 1
| 1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| 1
| 0
| null | 1
| 1
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(CC(c3ccccc3)N(C)C)c2C)cc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
| null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COC(=O)c1cccc(COC(=O)c2cccnc2SC)c1
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(CCNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)cc1
| null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(C)(C)OC(=O)N1CCC(CC2CC(c3cccc(Br)c3)=NO2)(C(=O)O)CC1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccccc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 1
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(N/N=C\c1cccnc1)c1ccc(Cl)cc1Cl
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccccc1N1CCN(C(=O)CSc2ccccc2)CC1
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(NC1CCCC1)C(c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
| null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(Br)cc1C1NC(=O)c2c(sc3c2CCN(C)C3)N1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
Cc1cc(C)c(C#N)c(Nc2ccccc2Cl)n1
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| null | 0
| null | 0
|
Cc1ccccc1C(=O)NCC1(N2CCCCC2)CCCCC1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCN(Cc2ccccc2)CC1
| null | 0
| 0
| null | 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
N#CC1=C2SCN(C3CCCCC3)CN2C(=O)CC1c1ccc(Br)cc1
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | null | null | null | null | null | 1
| null | null | 0
| 1
| 1
| null | 1
| 0
| null | null | null | null | null | 1
| null | 0
| null | null | 0
| 0
| 0
| 1
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCOCC1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | null | null | null |
N=C(N)SCc1nc2ccccc2c(=O)n1-c1ccccc1
| null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| null | null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 1
| null | 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=S(=O)(c1ccc(F)cc1)N1CCN(C(=S)NC2CC2)CC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2F)c1
| 1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | null | null |
COC1=CC(=O)/C(=C(\C)NNc2ccc(F)cc2F)C=C1
| null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCN1C(NCCc2cccs2)=N[C@@H](c2cccs2)C(C(=O)OC)=C1C
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(Cn1cc(COc2ccccc2C(F)(F)F)nn1)c1ccc(O)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 1
| 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(C)(COCC1CO1)COCC1CO1
| 0
| null | 0
| null | 0
| 0
| null | null | null | 0
| 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | 0
| null | 0
| 0
| 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| null | null | 0
| 0
|
COc1ccccc1-n1nc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2c1=O
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
Cn1nc(-c2ccccc2)c(CO)c1Oc1cccc(C(F)(F)F)c1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccccc1CNC(=O)COC(=O)/C=C/c1ccc2ccccc2n1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cn1nc(-c2ccccc2)c(CO)c1Oc1ccc(F)cc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| null | 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| null | 0
| 0
| null | null | 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cc(C)c(S(=O)(=O)c2ccc(F)cc2C)c(Cl)n1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cc(C)c(S(=O)(=O)c2ccc(F)cc2C)c(=O)[nH]1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(C)(C)C(=O)C(C(c1ccccc1)N1CCOCC1)N1CCOCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(C=Cc1ccccc1)CC(c1ccccc1)N1CCOCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | 0
| null | 0
| null | null | 0
| 0
| 1
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| null | 1
| null | 0
| null | 0
| 0
| 0
| 0
| 1
| 1
| 1
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | 0
| 0
| null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| null | 0
|
CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null |
CCCOc1ccccc1-c1nc2[nH][nH]nc-2c(=O)n1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 1
| 0
| 0
| 0
| 1
| 0
| 0
|
O=C1C=C(N2CCOCC2)c2cccc3cccc1c23
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(NNC(=O)c1cccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(Nc1ncccn1)C12CC3CC(CC(C3)C1)C2
| null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Nc1ccccc1N/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O
| 1
| null | 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| 0
| 0
|
CCNC(=O)c1ccc2c(c1)nc1n2CCCCC1
| null | null | null | null | null | null | 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(F)cc3)n2)cc1F
| null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
COc1ccc2c(C)cc(SCn3nnc4ccccc4c3=O)nc2c1
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(CCNC(=O)c2ccc3c(c2)nc2n3CCCCC2)cc1
| null | null | null | null | null | null | 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| null | null | null | null | null |
CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2sccc2C)c(=O)[nH]c1=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Clc1ccc(CSc2nnc(/C=C/c3ccccc3)o2)c(Cl)c1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCCN(C(=O)COC(=O)c1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(CNC(=O)c1ccc2c(c1)nc1n2CCCCC1)c1ccccc1
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | null | null | 1
| null | null | null | null | null | 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 1
| null | null | null | null | null | null | null | null | null | null | null |
COc1cc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc(OC)c1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COCCCNC(=O)c1ccc2c(c1)nc1n2CCCCC1
| null | null | null | null | null | null | 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | 1
| null | 1
| null | null | null | null | null | null | null | null | null |
O=C(CSc1n[nH]c(-c2ccc(F)cc2)n1)NCCc1ccccc1
| null | null | null | null | null | null | 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
C=CCN1C(=O)NC(=O)/C(=C(/CC)NCCN2CCOCC2)C1=O
| 0
| null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
|
COc1ccc(C2=Nn3c(nnc3-c3ccccc3F)SC2)cc1OC
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCN1C(=O)NC(=O)/C(=C(\C)Nc2ccc(OCC)cc2)C1=O
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
|
O=C(NN/C=C1/C=CC=N1)c1ccc(O)cc1
| 0
| 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(CCNC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)cc1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc2[nH]c(C(=O)O)c(NC(=O)c3ccccc3[N+](=O)[O-])c2c1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(O)cc(O)c3)ccc21
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| null | 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(C2SCC(=O)N2Nc2ncc(Cl)cc2Cl)cc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc2oc(C(=O)N3CCCc4ccccc43)c(C)c2c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1nnc(SCC(=O)NC2CCCc3ccccc32)n1-c1ccccc1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
S=C(NCCc1ccccc1)Nc1c(Cl)cccc1Cl
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| null | 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccco1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
CC(=O)NCCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O
| 0
| null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
COc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3C2=O)cc1
| null | null | null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccccc1C1C=C(c2ccc(Br)cc2)N=C2N=C(NS(C)(=O)=O)NN21
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 1
| 0
| null | null | 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
|
CCn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccco1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
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