smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
COc1cc2c(cc1OC)CN1CCc3ccccc3CC1C2 | 0 |
COc1cc(Cc2cc3c(c(C(=O)O)c2Br)OCO3)cc(OC)c1OC | 0 |
COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1C=C2 | 0 |
O=C(C=Cc1ccc2c(c1)OCO2)NCc1ccco1 | 0 |
COc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CC2 | 0 |
CCOc1c2c(cc3c1C(=O)c1c(OC)cccc1C3=O)C=C(OC)CC2 | 0 |
O=C1NC(Cc2ccc(O)cc2)C(=O)NC1Cc1ccc(O)cc1 | 0 |
Br.Oc1ccc(CC2CNC(Cc3ccc(O)c(Br)c3)CN2)cc1 | 0 |
Cc1ccc(OCC2OC(C#N)C(Oc3ccc(C)cc3)C2Oc2ccc(C)cc2)cc1 | 0 |
COc1cc(C2C=C(c3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC | 0 |
COc1c2c(cc3c1C(=O)c1c(O)cccc1C3=O)CC(O)CC2 | 0 |
CC=C1CC2C(=O)CCC2C2c3ccccc3OC12 | 0 |
N#CC1Cc2cc3c(cc21)OCO3 | 0 |
COc1ccc2c(c1)CCCC2=NNS(=O)(=O)c1c(C)cc(C)cc1C | 0 |
CC(=O)N(C(C)=O)n1c(Cc2ccc(Cl)cc2)n[nH]c1=O | 0 |
O=c1[nH]nc(Cc2ccc(Cl)cc2)n1Nc1ccccc1 | 0 |
Cc1n[nH]c(=O)n1N1C(=O)c2ccccc2C1=O | 0 |
O=C1c2ccccc2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O | 0 |
Cc1ccc(Cc2n[nH]c(=O)n2N2C(=O)c3ccccc3C2=O)cc1 | 0 |
O=C1c2ccccc2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O | 0 |
Cc1ccc(Cc2n[nH]c(=O)[nH]2)cc1 | 0 |
Cc1ccc(Cc2n[nH]c(=S)[nH]2)cc1 | 0 |
S=c1[nH]nc(Cc2ccc(Cl)cc2)[nH]1 | 0 |
CCOC(Cc1ccc(Cl)cc1)=NNC(N)=S | 0 |
Cl.O=C1C(=Cc2ccc(O)cc2)CCCC1CN1CCCCC1 | 0 |
O=C1C(=Cc2ccc(Cl)cc2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1 | 0 |
O=C1C(=Cc2ccccc2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1 | 0 |
Cc1ccc(C=C2CCCC(=Cc3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1 | 0 |
COc1ccc(C=C2CCCC(=Cc3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1 | 0 |
Cl.O=C(CCN1CCOCC1)c1ccc(Oc2ccc(F)cc2)cc1 | 0 |
Cc1cn(C2CC3C(COC(c4ccc([N+](=O)[O-])cc4)N3O)O2)c(=O)[nH]c1=O | 0 |
COC(=O)CC1C(COC(C)=O)OC(n2ccc(=O)[nH]c2=O)C1OC(C)=O | 0 |
CCC[CH-][N+](=O)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C | 0 |
CCCCN(O)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C | 0 |
COC(=O)CC1C(COC(C)=O)OC(n2cc(C)c(=O)[nH]c2=O)C1OC(C)=O | 0 |
C#CC1(O)C(CO)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C | 0 |
C#CC1(O)C(C=NO)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C | 0 |
Cn1c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n2c1=O | 0 |
CNC(=O)N1NC(c2ccccc2)C1c1ccccc1.OB(O)O | 0 |
[O-][N+]1=C(c2ccccc2)C(c2ccccc2)=N1 | 0 |
[O-][N+]1=[N+]([O-])C(c2ccccc2)C1c1ccccc1 | 0 |
CC1N(O)C(c2ccccc2)[C-](c2ccccc2)[N+]1=O | 0 |
CC1(C)N(OC2CCCCO2)C(c2ccccc2)[C-](c2ccccc2)[N+]1=O | 0 |
O=c1n(-c2ccccc2)c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n12 | 0 |
Cn1c(=O)n2n(c1=O)C(c1ccccc1)C2c1ccccc1 | 0 |
CC(C)(C)Nc1noc(=O)n1C(C)(C)C | 0 |
CC(C)NC(=O)N(Nc1ccccc1)C(C)(C)C | 0 |
CC(C)n1c(=O)[nH]n(-c2ccccc2)c1=O | 0 |
CC(C)n1c(=O)n(-c2ccccc2)n(C(C)(C)C)c1=O | 0 |
CC(C)(C)n1c(=O)[nH]c(=O)n1C(C)(C)C | 0 |
CC(C)(C)N=c1n(C(C)(C)C)oc(=O)n1C(C)(C)C | 0 |
O=c1onc(Nc2ccccc2)n1-c1ccccc1 | 0 |
CC(C)(C)n1c(=O)n(-c2ccccc2)n(C(C)(C)C)c1=O | 0 |
CC(C)(C)N=c1n(C(C)(C)C)oc(=O)n1-c1ccccc1 | 0 |
CCOC(=O)N(NC(=O)NC(C)C)c1ccccc1 | 0 |
COc1cc2c(cc1O)C1C(O2)c2cc3c(cc2OC1(C)C)OC(C)(C)CC3 | 0 |
COc1cc2c(cc1O)C1COc3cc4c(cc3C1O2)CCC(C)(C)O4 | 0 |
CC1(C)CCc2cc3c(cc2O1)OC(C)(C)C1c2cc(O)c(OCc4ccccc4)cc2OC31 | 0 |
CC1(C)CCc2cc3c(cc2O1)OCC1c2cc(O)c(OCc4ccccc4)cc2OC31 | 0 |
CC1(C)Oc2cc(OCc3ccccc3)ccc2C2Oc3cc(OCc4ccccc4)c(O)cc3C21 | 0 |
COc1cc2c(cc1O)C1C(O2)c2ccc(OCc3ccccc3)cc2OC1(C)C | 0 |
COc1ccc2c(c1)OC(C)(C)C1c3cc(O)c(OCc4ccccc4)cc3OC21 | 0 |
COc1ccc2c(c1)OC(C)(C)C1c3c(cc(OC)c(O)c3C)OC21 | 0 |
COc1cc2c(cc1O)C1C(O2)c2c(OC)cc3c(c2OC1(C)C)CCC(C)(C)O3 | 0 |
COc1cc2c(c3c1C1Oc4cc(OCc5ccccc5)c(O)cc4C1C(C)(C)O3)CCC(C)(C)O2 | 0 |
COc1ccc(CC=C(C)CCO)cc1 | 0 |
COc1c(C)c(CC=C(C)CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c(OC)c1OC | 0 |
COc1c(C)c(CC=C(C)CCCCO)c(OC)c(OC)c1OC | 0 |
COc1c(C)c(CC=C(C)CCCCO)c(OC)c2ccccc12 | 0 |
COc1c(C)c(CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)c(OC)c2ccccc12 | 0 |
COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c(OC)c1OC | 0 |
COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c(OC)c1OC | 0 |
COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c(OC)c1OC | 0 |
CC(=CCc1ccc(F)cc1)CCCCCCC(C)=CCc1ccc(F)cc1 | 0 |
COc1c(C)c(CC=C(C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)c(OC)c2ccccc12 | 0 |
COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c2ccccc12 | 0 |
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OCC(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1 | 0 |
CC(=O)OC1C(O)COC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OCC(O)C(O)C3O)C4C2(C)C)C1OC1OCC(O)C(O)C1O | 0 |
CCc1c(O)cc(=O)oc1-c1ccc(OC)c(OC)c1 | 0 |
CCc1c(-c2ccc(OC)cc2)oc(OC)c(C)c1=O | 0 |
Cc1ccc(-n2c(C)n[nH]c2=O)cc1 | 0 |
CC(=O)N(C(C)=O)n1c(-c2ccccc2)n[nH]c1=O | 0 |
CCc1n[nH]c(=O)n1N=Cc1ccccc1O | 0 |
CCc1n[nH]c(=O)n1N=Cc1c(O)ccc2ccccc12 | 0 |
O=c1[nH]nc(-c2ccccc2)n1N=Cc1c(O)ccc2ccccc12 | 0 |
CCc1n[nH]c(=O)n1NC(=O)c1ccccc1C(=O)O | 0 |
Cc1n[nH]c(CC#N)n1 | 0 |
Cc1n[nH]c(Cc2nc(C)n[nH]2)n1 | 0 |
c1ccc(Cc2n[nH]c(Cc3nc(Cc4ccccc4)n[nH]3)n2)cc1 | 0 |
Cc1ccc(-c2n[nH]c(Cc3nc(-c4ccc(C)cc4)n[nH]3)n2)cc1 | 0 |
CCOC(=O)NN=C(Cc1ccccc1)OCC | 0 |
CCOC(=O)NN=C(Cc1ccc([N+](=O)[O-])cc1)OCC | 0 |
CCOC(=O)NNC(=N)Cc1ccc(Cl)cc1 | 0 |
CCc1nnc(CC)n1N1C(=O)CCC1=O | 0 |
CCc1nnc(CC)n1NCCCC(=O)O | 0 |
O=C(O)C1CCCCC1C(=O)Nn1cnnc1 | 0 |
O=C(O)c1ccccc1C(=O)Nn1cnnc1 | 0 |
O=c1[nH]nc(Cc2ccccc2)n1-n1cnnc1 | 0 |
CCc1nnc(CC)n1-n1c(Cc2ccccc2)n[nH]c1=O | 0 |
CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1Cl | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.