smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
N#CC(C#N)=Cc1ccc(Oc2ccccc2)cc1 | 0 |
CC(C)(C)C(=O)C=Cc1ccc(Oc2ccccc2)cc1 | 0 |
CC(C)(C)C(=O)C=Cc1cccc(Oc2ccccc2)c1 | 0 |
N#CC(C#N)=Cc1cccc(Oc2ccccc2)c1 | 0 |
N#CC(=Cc1cccc(Oc2ccccc2)c1)c1ccccc1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc(OC(C)=O)cc1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccco1 | 1 |
CCOC(=O)C(=Cc1ccco1)P(=O)(OCC)OCC | 0 |
N#CC(=Cc1ccco1)C(=O)c1ccccc1 | 0 |
CC1(C)C(=O)C(=Cc2ccco2)C1=O | 0 |
CCOC(=O)C(=Cc1ccccn1)C(=O)c1ccccc1 | 0 |
CCOC(=O)C=Cc1ccccn1 | 0 |
CCOC(=O)C(=Cc1ccco1)C(=O)c1ccccc1 | 0 |
CCOC(=O)C(C#N)=Cc1ccco1 | 0 |
CCOC(=O)C(=Cc1ccco1)C(=O)OCC | 0 |
CCOC(=O)C(=Cc1ccco1)C(C)=O | 0 |
CC(=O)C=Cc1ccco1 | 0 |
Cc1ccc(C2=C(c3ccccc3)C(O)(c3ccccc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 | 0 |
Cc1ccc(C2=C(c3ccccc3)C(O)(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 | 0 |
Cc1ccc(C2=C(c3ccccc3)C(Br)(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 | 0 |
Cc1ccc(C2=C(c3ccc(C)cc3)C(c3ccc(C)cc3)=C(c3ccc(C)cc3)C2=O)cc1 | 0 |
Cc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 | 0 |
Clc1ccc2c(c1)[nH]c1c2nc2ccccn21 | 0 |
Cl.Clc1ccc2c(c1)[nH]c1c2nc2ccccn21 | 0 |
O=C(NCCCOC(=O)CCCCCCCCC(=O)OCCCNC(=O)NC(=O)c1cnc(O)nc1O)NC(=O)c1cnc(O)nc1O | 0 |
CCOC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(C)CC | 0 |
O=C(C(=Cc1ccc(O)cc1)c1ccccc1)c1ccccc1 | 0 |
O=C(C(=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 | 0 |
N#Cc1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1 | 0 |
O=C(C=Cc1ccc(-c2ccccc2)cc1)c1ccccc1 | 0 |
CCOC(=O)C(=C=Cc1cccs1)C(=O)c1ccccc1 | 0 |
CC(=O)CC(=O)C=Cc1cccs1 | 0 |
CCOC(=O)C(=Cc1ccc[nH]1)P(=O)(OCC)OCC | 0 |
CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])o1 | 0 |
N#CC(=Cc1ccc([N+](=O)[O-])o1)c1ccccc1 | 0 |
CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])o1 | 0 |
CCOC(=O)C(=Cc1ccncc1)C(=O)c1ccccc1 | 0 |
O=C(C=Cc1ccncc1)c1ccccc1 | 0 |
N#CC(=Cc1cccnc1)C(=O)c1ccccc1 | 0 |
O=C(C=Cc1cccnc1)c1ccccc1 | 0 |
CC(=O)C(=Cc1ccc(O)cc1)C(C)=O | 0 |
O=C1c2ccccc2C(=O)C1C(c1ccc(F)cc1)C1C(=O)c2ccccc2C1=O | 0 |
O=C1c2ccccc2C(=O)C1C(c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O | 0 |
CCOC(=O)C(=Cc1cccs1)P(=O)(OCC)OCC | 0 |
N#CC(=Cc1ccc[nH]1)C(=O)c1ccccc1 | 0 |
CCOC(=O)C(=Cc1ccc[nH]1)C(=O)c1ccccc1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc[nH]1 | 0 |
O=C(C=Cc1ccc[nH]1)c1ccccc1 | 0 |
N#CC(=Cc1ccc[nH]1)P(=O)(O)O | 0 |
CC1(C)OC(=O)C(c2cccs2)C(=O)O1 | 0 |
CC1(C)OC(=O)C(c2ccsc2)C(=O)O1 | 0 |
N#CC(=Cc1ccsc1)C(=O)c1ccccc1 | 0 |
CCOC(=O)C(c1ccsc1)P(=O)(OCC)OCC | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccsc1 | 0 |
CN(C)c1ccc(C=C(C#N)C(=O)c2ccccc2)cc1Br | 0 |
CN(C)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1Br | 0 |
CN(C)c1ccc(C=C2CCc3ccccc3C2=O)cc1Br | 0 |
CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1Br | 0 |
CN(C)c1ccc(C=CC(=O)c2ccccc2)cc1Br | 0 |
CN(C)c1ccc(C=CC(=O)C(C)(C)C)cc1Br | 0 |
CC1(C)OC(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)O1 | 0 |
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1 | 0 |
O=C1NC(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1ccc2c(c1)OCO2 | 0 |
CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)C(=O)c1ccccc1 | 0 |
COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1OC | 0 |
COc1ccc(C=CC(=O)c2ccccc2)cc1OC | 0 |
COc1ccc(C=CC(=O)C(C)(C)C)cc1OC | 0 |
COc1ccc(C=C2Cc3ccccc3C2=O)cc1OC | 0 |
COc1ccc(C=C2CCc3ccccc3C2=O)cc1OC | 0 |
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OC | 0 |
COc1cc(C=C2Cc3ccccc3C2=O)cc(OC)c1OC | 0 |
COc1cc(C=C2CCc3ccccc3C2=O)cc(OC)c1OC | 0 |
COc1cc(C=CC(=O)C(C)(C)C)cc(OC)c1OC | 0 |
COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC | 0 |
COc1cc(C=C(C#N)C(=O)c2ccccc2)cc(OC)c1OC | 0 |
COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC | 0 |
COc1cc(C=C(C#N)C(=O)c2ccccc2)ccc1O | 0 |
CCOC(=O)C(=Cc1ccc(O)c(OC)c1)C(=O)c1ccccc1 | 0 |
COc1cc(C=C(C#N)c2ccccc2)cc(OC)c1 | 0 |
N#CC(=Cc1ccc2ccccc2c1)C(=O)c1ccccc1 | 0 |
N#CC(=Cc1cccc2ccccc12)C(=O)c1ccccc1 | 0 |
CCOP(=O)(OCC)C(C#N)=Cc1cccc2ccccc12 | 0 |
CCOC(=O)C(=Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1ccccc1 | 0 |
COc1cc(C=C(C#N)C(=O)c2ccccc2)ccc1OCc1ccccc1 | 0 |
O=P(Nc1ccccc1)(Oc1ccccc1)N(CCCl)CCCl | 0 |
O=P(Nc1ccc(Cl)cc1)(Oc1ccccc1)N(CCCl)CCCl | 0 |
O=P(Nc1cccc(Cl)c1)(Oc1ccccc1)N(CCCl)CCCl | 0 |
Cc1ccc(NP(=O)(Oc2ccccc2)N(CCCl)CCCl)cc1 | 0 |
C=CN1C(=O)C(Oc2ccccc2)C1c1ccccc1 | 0 |
O=C1CCC(O)Cc2ccc(O)c(c2)-c2cc(ccc2O)CC1O | 0 |
COc1cc(C(Cc2ccccc2)NC(C)=O)oc(=O)c1 | 0 |
O=C1CCC2(CC1)SCCCS2 | 0 |
CN(C)c1ccc(C=CC(=O)O)cc1.[NaH] | 0 |
CN(C)c1ccc(C=CC2=[O+][Cu-3]3([O+]=C(C=Cc4ccc(N(C)C)cc4)[OH+]3)[OH+]2)cc1 | 0 |
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3(O)CCC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O | 1 |
Cc1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2c1[N+](=O)[O-] | 0 |
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CC(CC[N+](=O)[O-])[N+](=O)[O-] | 0 |
Cn1cc(C2(C)CC(C)(C)c3c2n(C)c2ccccc32)c2ccccc21 | 0 |
CC1CC2C(=O)NC(=O)C2c2c1c1ccccc1n2C | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.