smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
Cl.Nc1ccc(OCC(O)N2C(=O)c3ccccc3C2=O)cc1 | 0 |
CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O | 0 |
COC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1 | 1 |
CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1 | 0 |
CC(NC(C#N)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 | 0 |
CC(NC(CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 | 0 |
NC(=O)C(N)CC12CC3CC(CC(C3)C1)C2.O=S(=O)(O)O | 0 |
COC(=O)C(CC12CC3CC(CC(C3)C1)C2)NC(=O)C(N)CC(=O)O | 0 |
CC(NC(=O)C(N)CC(=O)O)C(=O)OC12CC3CC(CC(C3)C1)C2 | 0 |
CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)OCC | 0 |
N#Cc1ccc(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1 | 0 |
C=CCC(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC | 0 |
CCCC[S+](N)(=O)CCC(N)P(=O)(O)O.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 | 0 |
COP(C)(=O)C(Cc1ccccc1)=NO | 0 |
CSCCC(N)P(C)(=O)O | 0 |
C[S+](N)(=O)CCC(N)P(=O)(O)O.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 | 0 |
COP(=O)(OC)C(=CC1=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CN1)NC=O | 0 |
CSCCC(NC(c1ccccc1)c1ccccc1)[PH](=O)O | 0 |
CCOP(=O)(OCC)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1 | 0 |
COP(=O)(OC)C(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(C)=O | 0 |
CCCCS(=O)CCC(N)P(=O)(O)O | 0 |
CCCCS(=O)(=O)CCC(N)P(=O)(O)O | 0 |
COP(C)(=O)C(N)Cc1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 1 |
O=C(NC(Cc1ccccc1)P(=O)(O)c1ccccc1)OCc1ccccc1 | 0 |
CP(=O)(O)C(N)c1ccccc1 | 0 |
COP(=O)(OC)C(N)CCSC.O=C(O)C(=O)O | 0 |
NC(P(=O)(O)O)P(=O)(O)O | 0 |
COP(=O)(OC)C(=Cc1c[nH]cn1)NC=O | 0 |
CS(=O)(=O)CCC(N)P(=O)(O)O | 0 |
O=C(NCP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 | 0 |
N#CSC#Cc1ccc(C#CSC#N)cc1 | 0 |
N#CSC#CCCC#CSC#N | 0 |
CC(=O)CCCCC(=O)Nc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc2ccccc2)cc1 | 0 |
COC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1 | 0 |
CNC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)NC | 0 |
CNC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc(NC(=O)CCCCC(C)=O)cc1)C(=O)NCC(=O)NC | 0 |
C=[N+](CNC(=O)CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C)C(=O)CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C | 0 |
C=[N+](CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C | 0 |
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC | 0 |
NCCCCC(NC(=O)OCc1ccccc1)C(=O)NCC(N)=O | 0 |
CCOC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC | 0 |
O=C(NCC(=O)N1CCCC1C(=O)OC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1)OCc1ccccc1 | 1 |
CC(C)(NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)O | 0 |
CC(C)(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O | 0 |
CC(C)(NC(=O)OCc1ccccc1)C(=O)OC(=O)C(C)(C)NC(=O)OCc1ccccc1 | 0 |
CC(C)(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NN.Cl | 0 |
CCCCCCNCCc1c[nH]cn1.Cl | 0 |
CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1 | 0 |
CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1 | 0 |
CC(C)CC1N=C(OCc2ccccc2)OC1=O | 0 |
CC1N=C(c2ccccc2)OC1=O | 0 |
Cl.OC1CN2CCCC(O)C2C(O)C1O | 0 |
OC1CN2CCCCC2C(O)C1O | 0 |
CN(C)CC1CCCC(CN2CCCCC2)C1=O.Cl | 1 |
CN(C)CC1CCCC(=Cc2ccccc2)C1=O.Cl | 0 |
Cc1ccc(C=C2CCCC(CN(C)C)C2=O)cc1.Cl | 0 |
CN(C)CC1CCCC(=Cc2ccc(N(C)C)cc2)C1=O.Cl | 0 |
Cl.O=C1C(=Cc2ccccc2)CCCC1CN1CCCCC1 | 0 |
Cc1ccc(C=C2CCCC(CN3CCCCC3)C2=O)cc1.Cl | 0 |
CC(C)(CN1CCCCC1)C(=O)C=Cc1c(Cl)cccc1Cl.Cl | 0 |
CC(C)C(=O)C=Cc1ccc(Cl)cc1Cl | 0 |
CC(C)C(=O)C=Cc1c(Cl)cccc1Cl | 0 |
COC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C | 0 |
CC1(C)NC(=O)C(NC(=O)C(N)CC(=O)O)CCCCNC(=O)CCNC1=O | 0 |
COC(=O)C1CCC(=O)NCCCCC(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N1 | 0 |
CC1(C)NC(=O)C(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCNC(=O)CCNC1=O | 0 |
COC(=O)C1CCC(=O)NCCCCC(NC(=O)C(N)CC(=O)O)C(=O)N1 | 0 |
O=C(O)CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 | 0 |
CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)O)C(O)c1ccccc1 | 0 |
CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 | 0 |
CC(NC(=O)OCc1ccccc1)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C | 0 |
COC(=O)C(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(O)c1ccccc1 | 0 |
CC(NC(=O)C(N)CC(=O)O)NC(=O)C1CCC1 | 0 |
CC(NC(=O)NC(C)(C)C)NC(=O)C(N)CC(=O)O | 0 |
CC(NC(=O)C(N)CC(=O)O)NC(=O)N1CCCC1 | 0 |
CC(NC(=O)C(N)CC(=O)O)NC(=O)N1CCOCC1 | 0 |
CC(NC(=O)C(N)CC(=O)O)NC(=O)N(C)C(C)(C)C | 0 |
CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCC(=O)O | 0 |
CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)NCCC(=O)OCc1ccccc1 | 0 |
Cl.NC(C(=O)OC(=O)c1ccccc1)C(=O)OC(=O)c1ccccc1 | 0 |
CC(C)(C)OC(=O)NCCCCC(NC(=O)c1ccccc1)C(N)=O | 0 |
CC(C)(C)OC(=O)NCCCCC(N)C(N)=O | 0 |
CC(C)(C)OC(=O)NCCCCC(N)NC(=O)c1ccccc1.O=C(O)C(F)(F)F | 0 |
CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(N)=O | 0 |
CC(C)CC(C(N)=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C | 0 |
CC(C)CC(NC=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C | 0 |
CC(C)CC(NC=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1.O=C(O)C(F)(F)F | 0 |
CC(C)CC(C(N)=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1.O=C(O)C(F)(F)F | 0 |
COC(=O)C1(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 | 0 |
CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(N)=O | 0 |
CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O | 1 |
O=C1NC(=O)C2(CCCCCC2)N1 | 0 |
CC(OC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 | 0 |
COC(=O)C1(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCCCC1 | 0 |
CS(=O)(=O)[O-].C[n+]1cccc2ccc3cccnc3c21 | 0 |
CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(=O)O2 | 0 |
CC(=O)Oc1c(C)cc2c(c1C)C(C)CN2C(C)=O | 0 |
CC(=O)N1CC(C)(C)c2c1cc(C)c(O)c2C | 0 |
CC(=O)Oc1c(C)cc2c(c1C)C(C)(C)CN2C(=O)C(C)(C)C | 0 |
Cc1cc2c(c(C)c1O)C(C)(C)CN2C(=O)C(C)(C)C | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.