smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
COC(O)C(=O)c1c2c(cc3c1CCC3)CCCC2 | 0 |
O=C1c2cc3c(cc2CC1Br)CCC3 | 0 |
COC(=O)c1c2c(cc3c1CCC3)CCC2 | 0 |
CC(=O)c1c2c(cc3c1CCC3)CCC2 | 0 |
COC(O)C(=O)c1c2c(cc3c1CCC3)CCC2 | 0 |
ON=Cc1c2c(cc3c1CCC3)CCC2 | 0 |
COC(=O)C1Cc2ccc(C)cc2C1=O | 0 |
COC(=O)C1Cc2cc3c(cc2C1=O)CCC3 | 0 |
COC(=O)C1Cc2cc3c(cc2C1=O)CCCC3 | 1 |
COC(=O)C1Cc2ccc3c(c2C1=O)CCCC3 | 0 |
CCOC(=O)C1Cc2ccc(C)cc2C1=O | 0 |
CCOC(=O)C1(Cc2ccccc2)Cc2ccccc2C1=O | 0 |
COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1=O | 0 |
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O | 0 |
CCOC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3 | 0 |
CCOC(=O)C1(Cc2ccc(C)cc2)Cc2ccc(C)cc2C1=O | 0 |
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1O | 0 |
O=C1OC(C2Cc3cc4c(cc3C2=O)CCC4)c2ccccc21 | 0 |
O=C1OC(C2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 | 0 |
O=C(O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 | 0 |
COC(=O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 | 1 |
CC(=O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 | 0 |
COC(=O)c1cc2c(cc1CC1Cc3cc4c(cc3C1=O)CCC4)CCC2 | 0 |
COC(=O)c1ccccc1CC1Cc2cc3c(cc2C1=O)CCC3 | 0 |
COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCCC3 | 0 |
COC(=O)c1ccc(C)cc1CC1Cc2cc(C)ccc2C1=O | 0 |
COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1 | 0 |
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1 | 0 |
CCOC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3 | 0 |
CCOC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3 | 0 |
Cc1ccc(CC2(C(=O)O)Cc3ccc(C)cc3C2)cc1 | 0 |
COC(=O)c1ccccc1C=C1Cc2cc3c(cc2C1=O)CCC3 | 0 |
COC(=O)c1cc(C=C2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 | 0 |
COC(=O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCCC3 | 0 |
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC1CCCCC1)C(N)=O | 0 |
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O | 0 |
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 | 0 |
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(N)=O | 0 |
COCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(N)=O | 0 |
COCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(=O)OC | 0 |
COCCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)OC | 0 |
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCOCc1ccccc1)C(N)=O | 0 |
COC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C | 0 |
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 | 0 |
COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C | 0 |
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 | 0 |
CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 | 0 |
Nc1nc(SC2CCCCC2)nc2c1ncn2C1OC(CO)C(O)C1O | 0 |
C=CCN1CC2CON(C(=O)C(OC)(c3ccccc3)C(F)(F)F)C2C1C(C)C | 0 |
CSC1=C(c2ccc(C)cc2)N(c2ccccc2)C(=O)C(=O)N(c2ccccc2)C(c2ccc(C)cc2)=C(SC)SS1 | 0 |
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3=O | 1 |
CCC(NC(=O)OC(C)(C)C)C(=O)NCP(=O)(OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1 | 0 |
CC(NC(=O)C(N)CCC(=O)O)C(=O)NCP(=O)(O)O | 0 |
CCCCCC[n+]1noc(N)c1-c1ccc(-c2c(N)on[n+]2CCCCCC)cc1.[Cl-] | 0 |
OC1CCC(O)C2C3SC(c4ccccc43)C12 | 0 |
CC(=O)OC1C=CC(OC(C)=O)C2C1C1C3C=CC=CC3C2S1=O | 0 |
CC(=O)OC1CCC(OC(C)=O)C2C3SC(c4ccccc43)C12 | 0 |
N#Cc1cc2c(N)ncnc2nc1N1CCCC1 | 0 |
CCOC(=O)NN(C(=O)OCC)c1ccc(N=Nc2ccc(OC)cc2)n1C | 0 |
O=C1CCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3 | 0 |
O=C1CCc2ccc3c(c21)CC1(Cc2ccccc2C1)C3 | 0 |
O=C1CCCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3 | 0 |
O=C1CCCc2ccc3c(c21)CC1(Cc2ccccc2C1)C3 | 0 |
CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3 | 0 |
CCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3 | 0 |
COC(=O)CCC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCCC3=O | 0 |
O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3 | 0 |
COC(=O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3 | 0 |
CCc1cc2c(c3c1CCC3=O)CC1(Cc3ccc(C)cc3C1)C2 | 0 |
O=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 | 0 |
COC(=O)C=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 | 0 |
O=C(O)C=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 | 0 |
O=C(O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 | 0 |
COC(=O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 | 0 |
COC(=O)CCC(=O)c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 | 0 |
COC(=O)CCCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 | 0 |
O=Cc1ccc2c(c1)CC1(C2)Cc2ccc(C=O)cc2C1 | 0 |
COC(=O)C=Cc1ccc2c(c1)CC1(C2)Cc2ccc(C=CC(=O)OC)cc2C1 | 0 |
COC(=O)CCc1ccc2c(c1)CC1(C2)Cc2ccc(CCC(=O)OC)cc2C1 | 0 |
COC(=O)CCC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc(C(=O)CCC(=O)OC)cc2C1 | 0 |
OCc1ccc2c(c1)CC1(Cc3ccc(C=NO)cc3C1)C2 | 0 |
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2 | 0 |
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)C(=O)CCC5)C3)CCCC2 | 0 |
CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCCC4)CCCC2 | 0 |
O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCCC4)CCCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C(C)=O)c4C1)CCCC5)C3)CCCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C=O)c4C1)CCCC5)C3)CCCC2 | 0 |
CCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2 | 0 |
O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2ccc(CCCC(=O)O)cc2C1 | 0 |
COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCC4)CCC2 | 0 |
O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCC4)CCC2 | 0 |
OCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(CO)c3C1)CCC4)CCC2 | 0 |
CC(O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)O)c3C1)CCC4)CCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C)c4C1)CCC5)C3)CCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C=O)c4C1)CCC5)C3)CCC2 | 0 |
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 | 0 |
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 | 0 |
COC(O)C(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 | 0 |
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