smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
COc1cc(C(SCc2ccccc2)SCc2ccccc2)ccc1O | 0 |
c1ccc(CSC(SCc2ccccc2)c2ccc3c(c2)OCO3)cc1 | 0 |
c1ccc(CSC2(SCc3ccccc3)CCCCC2)cc1 | 0 |
FC(F)(F)c1nc2ccc(SSc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1 | 0 |
CCN(CC)CCNC(=O)C(O)(c1ccccc1)c1ccccc1 | 0 |
c1ccc(CSC(SCc2ccccc2)c2ccccc2)cc1 | 0 |
Clc1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1 | 0 |
N#CC(C#N)=CC=Cc1ccccc1[N+](=O)[O-] | 0 |
CC1=C(C)CC(C#N)(C#N)C(C#N)(C#N)C1 | 0 |
C(=CC(SCc1ccccc1)SCc1ccccc1)c1ccccc1 | 0 |
c1ccc(CSCCC(SCc2ccccc2)SCc2ccccc2)cc1 | 0 |
O=C1NC(=O)C23C(=O)NC(=O)C12C1C=CC3CC1 | 0 |
CSC(=N)Nc1cccc2ccccc12.I | 0 |
N#CC(C#N)=Cc1cc(Cl)ccc1O | 0 |
O=C(CC(O)(C(F)(F)F)C(F)(F)Cl)CC(O)(C(F)(F)F)C(F)(F)Cl | 0 |
CC(NC(=O)N(C)C)NC(=O)N(C)C | 0 |
CC(=O)CC(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
O=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
CCN(CC)c1ccc(NC(=S)NN(C)C)cc1 | 0 |
CSc1ccc(NC(=S)NN(C)C)cc1 | 0 |
CCN(CC)c1ccc(NC(=S)NN)cc1 | 0 |
OC(CC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=NNc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl | 0 |
OC(CC=NNc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl | 0 |
CC(=O)CC(O)(C(F)(F)Cl)C(F)(Cl)Cl | 0 |
OC(Cc1cnnc2ccccc12)C(Cl)(Cl)Cl | 0 |
CCOC(CN=C=S)OCC | 0 |
NC(=S)NN=CCC(O)(C(F)(F)F)C(F)(F)F | 0 |
CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNC(N)=S | 0 |
OC(CC=NN=CCC(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl | 0 |
NC(=O)NN=CCC(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNC(N)=O | 0 |
COc1cc(CNC(=O)CCCCCCCCC=CBr)ccc1O | 0 |
COc1cc(CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)ccc1O | 0 |
CC(=O)CC1(O)C(=O)Nc2ccccc21 | 0 |
CC(CC1(O)C(=O)Nc2ccccc21)=NO | 0 |
O=[N+]([O-])c1ccc(NN=CCC(O)(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1 | 0 |
CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | 0 |
CC(C)(CCCCC(C)(C)NCC1COc2ccccc2O1)NCC1COc2ccccc2O1.Cl | 0 |
Clc1ccc(Cl)c(N=Nc2cc3c4c(c2)CCCN4CCC3)c1 | 0 |
Cc1cc2c3c(c1)CCCN3CCC2.Cl | 0 |
COc1cc2c3c(c1)CCCN3CCC2 | 0 |
CCOC(CN(C)C(=S)Nc1cccc2ccccc12)OCC | 0 |
CCOC(CN(C)C(=O)Nc1cccc2ccccc12)OCC | 0 |
CCOC(CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1)OCC | 0 |
CCOC(CNCCC(=O)OC)OCC | 0 |
OC(CC(CC(O)(C(F)(F)F)C(F)(F)F)=NN=C(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F | 0 |
O=C1CC(C(O)(C(F)(F)F)C(F)(F)Cl)CCC1C(O)(C(F)(F)F)C(F)(F)Cl | 0 |
O=C1CCCCC1C(O)(C(F)(F)F)C(F)(F)Cl | 0 |
O=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
NN=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC1C(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
FC(F)(F)C1(C(F)(F)F)OC(Cl)(Cl)C(Cl)(Cl)O1 | 0 |
CCCCCCCCCCCCNC(=O)NCC(OCC)OCC | 0 |
CCCCCC(C=NNC(N)=S)C(O)(C(F)(F)F)C(F)(F)F | 0 |
NC(=S)NN=C1CCCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
CCCCCC(C=NN)C(O)(C(F)(F)F)C(F)(F)F | 0 |
OC(C1CCCC1=NN=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl | 0 |
CC(=O)N(C(C)=O)c1cc2c3c(c1)CCCN3CCC2 | 0 |
NC(=S)NN=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
CC(CC(O)(C(F)(F)F)C(F)(F)F)=NN | 0 |
C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)Nc3ccccc32)cc1 | 0 |
CCOC1CN=C(Nc2cccc3ccccc23)S1 | 0 |
Br.Oc1cc2c3c(c1)CCCN3CCC2 | 0 |
OC(NN=C1CCCC1)(C(F)(F)Cl)C(F)(F)Cl | 0 |
OC(CC(=NN=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F | 0 |
NN=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 | 0 |
ON=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 | 0 |
CC(CC(O)(C(F)(F)F)C(F)(F)F)=NO | 0 |
OC(C1CCC=NN1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(CCNCC(OCC)OCC)OCC | 0 |
OC(Cc1ccc2ccccc2n1)(C(F)(F)Cl)C(F)(F)Cl | 0 |
CC(N)(CC(O)(C(F)(F)Cl)C(F)(F)Cl)C(=O)O | 0 |
CC1(O)CC(C(F)(F)F)(C(F)(F)F)OC1=O | 0 |
CCN(CC)C(=O)CCN1CC1 | 0 |
N#CCN1c2ccccc2CCC1Cl | 0 |
CCOC(=O)CC(N1CC1)N1CC1 | 0 |
c1ccc2c(Nc3ncco3)cccc2c1 | 0 |
Clc1ccc(Nc2ncco2)cc1Cl | 0 |
Br.CCOC1CN(C)C(=Nc2cccc3ccccc23)S1 | 0 |
Cn1ccoc1=Nc1ccc(Cl)c(Cl)c1 | 0 |
CC1=CC(=NO)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 | 0 |
OC(Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)nc(CC(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F | 0 |
OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F | 0 |
CNC(=O)Nc1cc2c3c(c1)CCCN3CCC2 | 0 |
CN(C)C(=O)Nc1cc2c3c(c1)CCCN3CCC2 | 1 |
Clc1ccc(Cl)c(N=Nc2cc3c4c(c2)CCN4CCC3)c1 | 0 |
CCN(CC)c1cc2c3c(c1)CCCN3CCC2.Cl | 0 |
N#CC(C#N)=CC=Cc1c(Cl)cccc1Cl | 0 |
CNC(=O)OC(COC)CN1CCN(c2ccccc2C)CC1 | 0 |
OC(CC(=NN1CCCCC1)c1cccs1)(C(F)(F)F)C(F)(F)F | 0 |
CCNc1cc2c3c(c1)CCN3CCC2.Cl | 0 |
OC(c1cc(C(O)(C(F)(F)F)C(F)(F)F)ncn1)(C(F)(F)F)C(F)(F)F | 0 |
N=c1nn[nH]n1NC(=O)NCCCl | 0 |
C[N+]1(C)CC=C(N2CCOCC2)CC1.[I-] | 0 |
OC(CC(O)(C(F)(F)F)C(F)(F)F)C(O)c1ccco1 | 0 |
CC(O)CC(O)(C(F)(F)F)C(F)(F)F | 0 |
CC1=CC(=O)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 | 0 |
ON=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl | 0 |
CC(=O)O.NCCN1CCCCCc2ccccc21 | 0 |
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