smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
COc1ccc(C=NO)cc1OC | 0 |
CC1NOC(=O)C1N=Nc1ccc(Cl)cc1Cl | 0 |
CC1NOC(=O)C1N=Nc1cccc(Cl)c1 | 0 |
O=C(O)C(=O)C=Cc1ccc(Cl)cc1 | 0 |
N=C(NNS(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1 | 0 |
CC1=NOC(=O)C1=Cc1ccc([N+](=O)[O-])cc1 | 0 |
CC1=NOC(=O)C1=Cc1ccccc1O | 0 |
ON=Cc1ccc(O)c(O)c1 | 0 |
COC(=O)C(=O)C(C(C)=O)C(=O)NCc1ccc(OC)c(OC)c1 | 0 |
CC1=NOC(=O)C1=Cc1cccc2ccccc12 | 0 |
CC1NOC(=O)C1N=Nc1ccccc1Br | 0 |
CC1NOC(=O)C1N=Nc1ccccc1Cl | 0 |
CC(=O)CC(=O)N(CCN(C(=O)CC(C)=O)c1ccccc1)c1ccccc1 | 0 |
CC(C)(C)C(=O)C1CC(=O)c2ccccc2C1=O | 0 |
O=C1OC(c2ccccc2)=NC1=Cc1ccc2c(c1)OCO2 | 0 |
COc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1OC | 0 |
COc1c(Cl)c([Hg]OC(C)=O)c(NCC(C)=O)c(OC)c1[Hg]OC(C)=O | 0 |
CCc1cccc(C)c1NC(=O)NS(=O)(=O)c1ccc(C)cc1 | 0 |
CC1CC(c2ccccc2)=Nc2ccccc2S1(=O)=O | 0 |
CC(=O)NC(=Cc1ccc(Cc2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O | 0 |
Cc1ccc(S(=O)(=O)NC(=O)Nc2nc(Cl)cc(Cl)n2)cc1 | 0 |
Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccccc2)cc1 | 0 |
OCC1C(O)C(O)C2C(O)CCN12 | 0 |
N#CC(C#N)=c1ccc(=C(C#N)C#N)c2nsnc12 | 0 |
Nc1c(Cl)cccc1-c1c[nH]c(Cl)c1Cl | 0 |
CCCCC=CCc1[nH]c2ccccc2c(=O)c1C | 0 |
O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl | 0 |
CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C3(O)C(C)OC(=O)C3C)C12 | 0 |
O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]c(Cl)c1Cl | 0 |
Nc1c(Cl)cccc1-c1c[nH]cc1Cl | 0 |
CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1ccc(N(C)C)cc1 | 0 |
CCOC(=O)C(=Cc1ccc(OC)cc1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1ccc(OC)cc1 | 0 |
CCOC(=O)C(=Cc1ccc(C)cc1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1ccc(C)cc1 | 0 |
CCOC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1ccc(-c2ccccc2)cc1 | 0 |
CCOC(=O)C(=Cc1cccc(C)c1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1cccc(C)c1 | 0 |
CCOC(=O)C(=Cc1ccc(F)cc1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1ccc(F)cc1 | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1OC | 0 |
CCOC(=O)C(=Cc1cccc(OC)c1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1cccc(OC)c1 | 0 |
CCOC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1ccc(Cl)cc1 | 0 |
CCOC(=O)C(=Cc1ccc(Br)cc1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1ccc(Br)cc1 | 0 |
CCOC(=O)C(=Cc1cccc(F)c1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1cccc(Cl)c1 | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1F | 0 |
CCOC(=O)C(=Cc1cccc(Br)c1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1cccc(Br)c1 | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1Cl | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1Br | 0 |
CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1cccc([N+](=O)[O-])c1 | 0 |
CCOC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O | 0 |
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O | 0 |
CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1 | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1[N+](=O)[O-] | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(N(C)C)cc1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(OC)cc1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(C)c1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(OC)c1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(Br)cc1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(F)c1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(Cl)c1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(Br)c1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccccc1Cl | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(C#N)c1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc([N+](=O)[O-])c1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(C#N)cc1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc([N+](=O)[O-])cc1 | 0 |
COc1ccc(C=C(C#N)C#N)cc1 | 0 |
N#CC(C#N)=Cc1ccc(F)cc1 | 0 |
COc1ccccc1C=C(C#N)C#N | 0 |
COc1cccc(C=C(C#N)C#N)c1 | 0 |
N#CC(C#N)=Cc1ccc(Cl)cc1 | 0 |
N#CC(C#N)=Cc1ccc(Br)cc1 | 0 |
N#CC(C#N)=Cc1cccc(F)c1 | 0 |
N#CC(C#N)=Cc1cccc(Cl)c1 | 0 |
N#CC(C#N)=Cc1ccccc1F | 0 |
N#CC(C#N)=Cc1cccc(Br)c1 | 0 |
N#CC(C#N)=Cc1ccccc1Cl | 0 |
N#CC(C#N)=Cc1cccc(C#N)c1 | 0 |
N#CC(C#N)=Cc1ccccc1Br | 0 |
N#CC(C#N)=Cc1cccc([N+](=O)[O-])c1 | 0 |
N#CC(C#N)=Cc1ccc(C#N)cc1 | 0 |
N#CC(C#N)=Cc1ccccc1[N+](=O)[O-] | 0 |
CN(C)c1ccc(C=C(C#N)C(=O)c2ccccc2)cc1 | 0 |
COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1 | 0 |
Cc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1 | 0 |
N#CC(=Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 | 0 |
Cc1cccc(C=C(C#N)C(=O)c2ccccc2)c1 | 0 |
N#CC(=Cc1ccc(F)cc1)C(=O)c1ccccc1 | 0 |
N#CC(=Cc1ccccc1)C(=O)c1ccccc1 | 0 |
COc1cccc(C=C(C#N)C(=O)c2ccccc2)c1 | 0 |
N#CC(=Cc1ccc(Cl)cc1)C(=O)c1ccccc1 | 0 |
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