smiles stringlengths 4 580 | activity stringclasses 3 values | HIV_active int64 0 1 |
|---|---|---|
CCOC(=O)C(=Cc1ccc(F)cc1)P(=O)(OCC)OCC | CI | 0 |
CCOC(=O)C(=Cc1ccccc1OC)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc(OC)c1)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc(OC)c1)P(=O)(OCC)OCC | CI | 0 |
CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1ccc(Br)cc1)P(=O)(OCC)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc(Cl)c1)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc(Cl)c1)P(=O)(OCC)OCC | CI | 0 |
CCOC(=O)C(=Cc1ccccc1F)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc(Br)c1)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc(Br)c1)P(=O)(OCC)OCC | CI | 0 |
CCOC(=O)C(=Cc1ccccc1Cl)P(=O)(OCC)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc(C#N)c1)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc(C#N)c1)P(=O)(OCC)OCC | CI | 0 |
CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1ccc(C#N)cc1)C(=O)OCC | CI | 0 |
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)P(=O)(OCC)OCC | CI | 0 |
CCOC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC | CI | 0 |
CC(=O)C(=Cc1ccc(N(C)C)cc1)C(C)=O | CI | 0 |
COc1ccc(C=C(C(C)=O)C(C)=O)cc1 | CI | 0 |
CC(=O)C(=Cc1cccc(C)c1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1ccc(F)cc1)C(C)=O | CI | 0 |
COc1cccc(C=C(C(C)=O)C(C)=O)c1 | CI | 0 |
CC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1ccc(Br)cc1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1cccc(F)c1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1cccc(Cl)c1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1cccc(Br)c1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1cccc(C#N)c1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O | CI | 0 |
CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O | CI | 0 |
COc1ccc(C=NO)cc1OC | CI | 0 |
O=C(O)C(=O)C=Cc1ccc(Cl)cc1 | CI | 0 |
ON=Cc1ccc(O)c(O)c1 | CI | 0 |
COC(=O)C(=O)C(C(C)=O)C(=O)NCc1ccc(OC)c(OC)c1 | CI | 0 |
COc1c(Cl)c([Hg]OC(C)=O)c(NCC(C)=O)c(OC)c1[Hg]OC(C)=O | CI | 0 |
CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccc(N(C)C)cc1 | CI | 0 |
CCOC(=O)C(=Cc1ccc(OC)cc1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccc(OC)cc1 | CI | 0 |
CCOC(=O)C(=Cc1ccc(C)cc1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccc(C)cc1 | CI | 0 |
CCOC(=O)C(=Cc1cccc(C)c1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1cccc(C)c1 | CI | 0 |
CCOC(=O)C(=Cc1ccc(F)cc1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccc(F)cc1 | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1OC | CI | 0 |
CCOC(=O)C(=Cc1cccc(OC)c1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1cccc(OC)c1 | CI | 0 |
CCOC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccc(Cl)cc1 | CI | 0 |
CCOC(=O)C(=Cc1ccc(Br)cc1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccc(Br)cc1 | CI | 0 |
CCOC(=O)C(=Cc1cccc(F)c1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1cccc(Cl)c1 | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1F | CI | 0 |
CCOC(=O)C(=Cc1cccc(Br)c1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1cccc(Br)c1 | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1Cl | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1Br | CI | 0 |
CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1cccc([N+](=O)[O-])c1 | CI | 0 |
CCOC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O | CI | 0 |
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1 | CI | 0 |
CCOC(=O)C(C#N)=Cc1ccccc1[N+](=O)[O-] | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(N(C)C)cc1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(OC)cc1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(C)c1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(OC)c1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(Br)cc1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(F)c1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(Cl)c1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(Br)c1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccccc1Cl | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc(C#N)c1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc([N+](=O)[O-])c1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(C#N)cc1 | CI | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc([N+](=O)[O-])cc1 | CI | 0 |
COc1ccc(C=C(C#N)C#N)cc1 | CI | 0 |
N#CC(C#N)=Cc1ccc(F)cc1 | CI | 0 |
COc1ccccc1C=C(C#N)C#N | CI | 0 |
COc1cccc(C=C(C#N)C#N)c1 | CI | 0 |
N#CC(C#N)=Cc1ccc(Cl)cc1 | CI | 0 |
N#CC(C#N)=Cc1ccc(Br)cc1 | CI | 0 |
N#CC(C#N)=Cc1cccc(F)c1 | CI | 0 |
N#CC(C#N)=Cc1cccc(Cl)c1 | CI | 0 |
N#CC(C#N)=Cc1ccccc1F | CI | 0 |
N#CC(C#N)=Cc1cccc(Br)c1 | CI | 0 |
N#CC(C#N)=Cc1ccccc1Cl | CI | 0 |
N#CC(C#N)=Cc1cccc(C#N)c1 | CI | 0 |
N#CC(C#N)=Cc1ccccc1Br | CI | 0 |
N#CC(C#N)=Cc1cccc([N+](=O)[O-])c1 | CI | 0 |
N#CC(C#N)=Cc1ccc(C#N)cc1 | CI | 0 |
N#CC(C#N)=Cc1ccccc1[N+](=O)[O-] | CI | 0 |
COC(=O)C=CC(=O)C=CCOC(=O)c1ccccc1 | CI | 0 |
COC(=O)C=CC(=O)CC(O)COC(=O)c1ccccc1 | CI | 0 |
CCN(CC)CC(=N)N(CC)c1ccccc1 | CI | 0 |
CCN(C(C)=N)c1ccccc1 | CI | 0 |
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