smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
COc1cc2c(OC)c(c1)CCCC1=CC(=O)C=C(CCC2)C1=O | 0 |
CC1(C)CSCC(C)(C)C2(C=CC=CC=N2)C1=O | 0 |
Cn1c(=O)n2n(c1=O)C1(CCO)CCC2(CCO)CC1 | 0 |
C=CC12CCC(CC1)n1c(=O)n(C)c(=O)n12 | 0 |
CN1NC(C2NN(C)C(=O)N(C)N2)NN(C)C1=O | 0 |
CCCOC(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)O | 0 |
CC1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)C(C)C6=O)c(O)cc(O)c3c(O)c2C(=O)C1C | 0 |
Cc1n[nH]c2c1NC(=O)OC2 | 0 |
Cc1n[nH]c2c1NC(=O)OC2C | 0 |
Cc1n[nH]c2c1NC(=O)OCC2 | 0 |
Cc1n[nH]c2c1NC(=O)OC(C)C2 | 0 |
Cc1n[nH]c2c1NC(=O)OC(C)(C)C2 | 0 |
O=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1 | 0 |
CC(C)=CCCC1(C)C=Cc2c(ccc3c(C)noc23)O1 | 0 |
NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O)C(=O)O.c1ccncc1 | 0 |
CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)O | 0 |
N#CC1C2C1C1C=CC2n2c(=O)n(-c3ccccc3)c(=O)n21 | 0 |
COC(=O)C1C2C1C1C=CC2n2c(=O)n(-c3ccccc3)c(=O)n21 | 0 |
COC(=O)c1c2c(n(CCO)c1OC)C(=O)c1ccccc1C2=O | 0 |
CC1(C)OC(=O)c2c(cc(N3CCOCC3)oc2=O)O1 | 0 |
O=c1n(-c2ccccc2)c(=O)n2n1C1CC3c4ccccc4C1C32 | 0 |
CC1C(n2[nH]c(=O)n(C)c2=O)c2ccccc2-n2c(=O)n(C)c(=O)n21 | 0 |
CC1(n2[nH]c(=O)n(-c3ccccc3)c2=O)Cn2c(=O)n(-c3ccccc3)c(=O)n2-c2ccccc21 | 0 |
Cc1nc2ccccc2c(N)c1-c1cc(C)c2c(C)nc3ccccc3c2n1 | 0 |
O=C1C(=O)C(CN2CCOCC2)=C(N2CCOCC2)C(N2CCOCC2)=C1CN1CCOCC1 | 0 |
O=S(O)Cc1ccccc1CSSSCc1ccccc1CS(=O)O | 0 |
CCOC(=O)CC1(C)SCCN1C(=O)OCC | 0 |
COC(=O)N1C2CCCCC2=NN(c2ccccc2)N1C(=O)OC | 0 |
CCOC(=O)CNCc1cc(O)nc2cc(Cl)ccc12 | 0 |
c1ccc(-c2nc3cc4c(cc3n3cccc23)oc2ccccc24)cc1 | 0 |
c1ccc2c(c1)oc1cc3c(cc12)ncc1cccn13 | 0 |
Cc1nc2cc3c(cc2n2cccc12)oc1ccccc13 | 0 |
c1ccc2c(c1)oc1cc3c(cc12)nnc1cccn13 | 0 |
CC(C)S(=O)(=O)n1c(=N)[nH]c2ccc(C(=NO)c3ccccc3)cc21 | 1 |
CC(CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C | 0 |
O=c1oc2c3ccccc3c3ccccc3c2c2oc3c4ccccc4c4ccccc4c3c12 | 0 |
CC12Cc3ccccc3CC1OCN1CN2COC2Cc3ccccc3CC21C | 0 |
Cn1c2c(c3cc(Cl)cc(Cl)c31)-c1ncncc1CC2 | 0 |
O=C(O)C(O)C(O)C(=O)O.c1ccc2c3c([nH]c2c1)CCc1cncnc1-3 | 0 |
CCN(CC)CCOC(=O)c1c(C)oc2cc3c(C(=O)OCCN(CC)CC)c(C)oc3cc12 | 0 |
CCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 | 0 |
CCCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 | 0 |
CCCCCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 | 0 |
COC(=O)NC1=Nc2ccccc2N(C(=O)Oc2ccccc2)S1 | 0 |
CCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 | 0 |
COC(=O)NC1=Nc2ccc(Cl)cc2NS1 | 0 |
CCOC1NC(=O)Oc2ccccc21 | 0 |
COC1NC(=O)Oc2c(F)cccc21 | 0 |
COC(=O)c1ccc2c(c1)C(O)NC(=O)O2 | 0 |
NNC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1 | 0 |
COC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1 | 0 |
Nc1cc2c(cc1-n1cccc1)oc1ccccc12 | 0 |
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3ccccc3c1)CN2 | 0 |
NC(C(=O)O)C1=CCCC1 | 0 |
COC1CCCCC1C(N)C(=O)O.NC(C(=O)O)C1=CCCCC1 | 0 |
NC(C(=O)O)C1=CCCCCCC1 | 0 |
NC(C(=O)O)C1=CCCCCC1 | 0 |
CN(C)C(=O)Sc1nnc(C(C)(C)C)o1 | 0 |
COc1cc(C#N)c(NC(=S)N2CCN(C(=O)c3ccco3)CC2)cc1OC | 0 |
O=C1NC(=O)C23CCCCc4cccc(c42)C(=O)C13 | 0 |
COc1ccc(C=NNC(=O)c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1 | 0 |
O=c1[nH]c2cc3c(cc2n2cccc12)oc1ccccc13 | 0 |
CC1C2CCC3C4CC=C5CC(N(C)C)CCC5(C)C4CCC32CN1C | 0 |
CC(O)C1OC(n2cnc3c(O)nc(N)nc32)C(O)C1O | 0 |
Clc1nc2cc3c(cc2n2cccc12)oc1ccccc13 | 0 |
O=C(NN=Cc1ccc(O)cc1)c1ccc(OCc2nc3ccccc3[nH]2)cc1 | 0 |
CCS1=C(C(C)=O)C(=O)OC(C)C1 | 0 |
Cc1c(-c2cnccn2)ssc1=S | 0 |
CC1(C)NC(=O)C2(CC(O)C(O)C(OC(=O)c3ccccc3)C2)O1 | 0 |
CC1(C)NC(=O)C2(CC(OC(=O)c3ccccc3)C=C2C=O)O1 | 0 |
CC1(C)NC(=O)C2(CC(O)C=C2CO)O1 | 0 |
O=C(NP1(=O)NCc2ccccc2CN1)OC1CCCCC1 | 0 |
COC(=O)CC1(C(=O)OC)C2CCCN2C2(C#N)c3ccccc3CCC12Br | 0 |
COC1=C(C)C(=O)C2=C(C1=O)C(CO)N1C(C#N)C3CC4C(C1C2N1CCOC41)N3C | 0 |
Cn1c(=O)n2n(c1=O)C1CCC2CC1 | 0 |
COC(=O)C12C=CC(C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12 | 0 |
COC(=O)C12CCC(C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12 | 0 |
CCOCNC=O | 0 |
CC(C)CCC(=O)c1ccoc1 | 0 |
COC1=CCC2=C(CCC3C2CCP3(C)=S)C1 | 0 |
CP1(=S)CCC2C3=C(CCC21)CC(=O)CC3 | 0 |
COc1ccc2c(c1)CCC1=C2CCS1(=O)=O | 0 |
NC(Cc1ccc[se]1)C(=O)O | 0 |
CN1C2C=CC(=O)C1(Cl)C1C(=O)N(c3ccccc3)C(=O)C21 | 0 |
CC1C(c2ccccc2)OC(N2CCOCC2)C(C)(C)CN1C | 0 |
CCOC(=O)c1c(C)c(=O)cnc2c(C#N)cnn12 | 0 |
CN1C(=O)C(Cl)(C#N)C(c2ccccc2)N(C)C1c1ccccc1 | 0 |
N=C(N)NS(=O)(=O)c1ccc(NCc2c3ccccc3nc3ccccc23)cc1 | 0 |
O=S1(=O)CS(=O)(=O)OCCCCO1 | 0 |
COc1nc2cc3c(cc2n2cccc12)oc1ccccc13 | 1 |
O=C(NN=Cc1ccco1)c1ccc(OCc2nc3ccccc3[nH]2)cc1 | 0 |
c1ccc2c(c1)oc1cc3c(cc12)-n1nnnc1-c1cccn1-3 | 0 |
CC1(C)Nc2cc3c(cc2-n2cccc21)oc1ccccc13 | 0 |
CC1=C(N2CCOCC2)C(N2CCOCC2)=C(C)C(=O)C1=O | 0 |
O=S(=O)(O)SCCNCCCCC1CCCCC1 | 0 |
CCNc1nc(NC(C)C)nc(-c2ccncc2)n1 | 0 |
N=C(Nc1ccccc1)N(c1ccccc1)c1nc(=S)ss1 | 0 |
c1ccc(N=c2nc(Nc3ccccc3)ss2)cc1 | 0 |
CC1CNC2(c3ccccc3)CSC=C(c3ccccc3)N12 | 0 |
CCNCC1c2ccccc2-c2nc3ccccc3nc2-c2ccccc21 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.