smiles
stringlengths 30
59
|
|---|
CCN(C)CC(=O)NC1CC(n2cc(-c3cccc(C)n3)nn2)C1 |
CCn1ncnc1C(=O)N1CCC1CNC(=O)Cc1ccc(=O)[nH]c1 |
CC1(C)CC(C(=O)N2CCN(C(=O)COC(F)F)CC2)CNC1=O |
CCC(=O)N1CCCCC1C(=O)NC1CCN(c2cnccn2)CC1 |
COc1ccc(CNC(=O)c2ccc(CO)cn2)cc1NC(C)=O |
Cc1cccnc1C(=O)N1CCC2CN(C(=O)CC3(O)CC3)CC21 |
CCn1ccc(C(=O)NC2CC3(CCN(C(=O)CC(C)C)C3)C2)c1C |
CN1C(=O)NCC1C(=O)NC1CN(C(=O)CC2CCCCC2O)C1 |
Cc1cc(C)c(C(=O)N2CC(NC(=O)CN3CCCC3)C2)c(=O)[nH]1 |
CCN(c1ccc(C(=O)NC(C(=O)O)C2(OC)CCC2)cn1)C(C)C |
COc1ccc(C2CCN(c3cc(C(N)=O)ncn3)C2(C)C)cc1F |
N#CC1(CCC(=O)N2CC3CCN(C(=O)C4CC4)CC3C2)CCC1 |
CC1CCOC1C(=O)N1CCC1CNC(=O)c1cc2scnc2[nH]1 |
COC(=O)c1nc(C2CCN(Cc3cc(C)cc(=O)o3)CC2)oc1C |
Cc1cc[nH]c1C(=O)NC1CC(NC(=O)C2CC3(CCCC3)C2)C1 |
CCC(C)(C#N)C(=O)NC1CCCN(C(=O)c2cnc(C)cn2)C1 |
CCOC(=O)C1CC(O)C(N2CCCN3c4ccccc4CC3C2)C1 |
O=C(c1coc(=O)[nH]1)N1CCN(C(=O)c2cccc(O)c2F)CC1 |
COC(=O)NCC(=O)N1CCOCC1CN(C)C(=O)c1ccc[nH]1 |
COCC(C)(O)C(=O)NCC1(O)CN(C(=O)C2CC(C)N(C)C2)C1 |
CCNC(=O)N1CCC(NC(=O)C2(c3c(C)cccc3OC)CC2)C1 |
CNC(=O)c1ccc(CN2CC(O)C(O)CC3(CCOCC3)C2)cc1 |
Cc1cc(=O)oc(C)c1C(=O)NCC1(F)CN(C(=O)C2CC2F)C1 |
Cc1ncc(C(=O)N(C)CC(C)CNC(=O)c2cocn2)c(C)n1 |
CC(=O)Nc1c[nH]nc1C1CCCN(Cc2csc(C(=O)O)n2)C1 |
Cc1ccc(C(=O)N(C)C2CC(NC(=O)C(O)C(F)F)C2)c(C)c1 |
CNC(=O)COc1cccc(CNC(=O)N2CC(=O)N(C)C3CC32)c1 |
c1ccc(CCc2noc(CN3CCCC4CNCCCC43)n2)cc1 |
N#CC1(C2CC2)CCN(C(=O)C2(Nc3ccccc3)CCNCC2)C1 |
CCC(C(=O)N1CC(C2(NC(=O)C3CCCC3)CC2)C1)n1ccnc1 |
CC(C)C(=O)N1CCC2C(CCCN2C(=O)CCC(C)(C)C#N)C1 |
CC1CCN(C(=O)CCn2cnnn2)CC1NC(=O)CC1(C)CC1 |
CC1CN(C(=O)c2cccc(=O)o2)CC(CCNC(=O)C(C)C)O1 |
COc1cccc(-c2noc(C(C)NC(=O)CCC(C)N(C)C)n2)c1 |
Cc1cc(C(=O)NCC2CC2NC(=O)C(C)(C)C(C)(C)C)c[nH]c1=O |
CC(CN(C)C(=O)C1(C)CC1)NC(=O)c1cccc2c1OCCC2 |
CC(=O)N(C)CC(=O)N1CC(NC(=O)Cn2ccnc2C)C(C)(C)C1 |
COCC1(C(=O)N2CCCN(C(=O)c3ccncc3)CC2)CCCO1 |
COC(CC1CC1)C(=O)N1CC2(CN(C(=O)C3CCN(C)CC3)C2)C1 |
Cc1c[nH]c(C(=O)N2CCC3CC2CN3C(=O)C(C)n2ccnc2)c1 |
CC(F)(F)C(=O)NC1COC2CN(C(=O)COCC3CCC3)CC12 |
COCC1CN(C(C)=O)CCN1C(=O)c1cnc2ccccc2n1 |
COc1cc(C(=O)NC2CC(C)(NC(=O)c3cccn3C)C2)sn1 |
CC(F)CC(=O)NC12CCC(C1)N(C(=O)c1ccc(N(C)C)cn1)C2 |
CC(C)C(C)C(=O)N1CCC(N(C)C(=O)c2noc3ncccc23)C1 |
CC(C)OCC(=O)N1CC2(CC(NC(=O)C3CC34CCC4)CO2)C1 |
COc1cncc(C(=O)NCC2CC(O)CN2C(=O)C2CC(C)C2)c1 |
CC(O)C(=O)NCC1CCC(N(C)C(=O)CC2(C#N)CCC2)CC1 |
CCC(CNC(=O)c1cc(C)co1)NC(=O)C1CCc2c[nH]nc2C1 |
CC1CCCCN1c1cc(C(=O)NCCc2ccncc2F)ccn1 |
COc1ccc(C)cc1C(=O)NCC1CC1NC(=O)C1CCC(O)C1 |
COCC(=O)N1CC(F)(CNC(=O)c2ncoc2C2CCCO2)C1 |
CC(C)(CNC(=O)COC1(c2ccccc2)CNC1)N1CCOCC1 |
Cc1cc(CC(=O)N2CC(NC(=O)c3c(C)o[nH]c3=O)C2)ccc1F |
COCc1cccc(C(=O)NCC2CCC(C)CN2C(=O)C(C)C)c1 |
O=C(Nc1cnn(Cc2ncccn2)c1)N1CCOC(C2CC2)CC1 |
CN(C(=O)C1CCCC1)C1CCCN(C(=O)C2CCC(O)CC2)C1 |
CC1(C)C(CNC(=O)c2ccns2)CCN1C(=O)C1CC(C#N)C1 |
CC(=O)Nc1cccc(C(=O)NCC2C3CC2N(C(=O)C(C)C)C3)n1 |
Cc1c[nH]nc1C(=O)NCC1CN(C(=O)c2ccnn2C)C(C)(C)C1 |
Cc1c(O)cccc1C(=O)N(C)C1CCN(C(=O)CC(C)C)CC1 |
CC1=C(C(=O)NC(CNC(=O)C23COCC2C3)C(C)C)CCCC1 |
CC(=O)Nc1cccc(C(=O)N2CCC(CN(C)C(=O)CO)C2)c1 |
Cc1nc(C#N)c(NC(=O)c2cc(N3CCCC3)ccn2)nc1Cl |
CCCc1cc(NCCN2CCCCC2)n2nc(C(=O)OC)nc2n1 |
CC(C)(O)C(F)(F)C(=O)NCc1cn(-c2ccccc2CO)nn1 |
CCc1cnc2ccccc2c1C(=O)NC(C)CNC(=O)CC#N |
COC(C)(C)C(=O)NCC12CCC(CN1C(=O)c1ccccc1F)C2 |
O=C(NCC12CCCN(CCC1)C2)c1cccnc1C1CCNCC1 |
Cn1cnc(CCCN2C(=O)CCN(CC3CCOC3(C)C)C2=O)n1 |
COCCC(=O)N1CCCN(C(=O)c2cc(O)c3ccoc3c2)CC1 |
Cc1nnc2n1CCCC2C(=O)NCC1CCN1C(=O)C1(F)CC1 |
CC(C(=O)NCC1CC2CCCC(C2)C1)n1cc(C2(O)CC2)nn1 |
CN(C)CCCN(CCC#N)C(=O)c1ccc(N2CCNCC2)nc1 |
CCOC(=O)c1ccc(C(=O)N2CC(NC(=O)CC(C)C)C2)c(=O)[nH]1 |
CN(C(=O)C1CC(O)C1)C1CCCN(C(=O)COC2CCCC2)C1 |
COCCN(C(=O)c1cc(-c2cccnc2)nn1C)C1CCOCC1 |
Cc1cc(C(=O)NC(C)C2(O)CCN(C(=O)C3CCCC3)CC2)[nH]n1 |
CC1CCC1C(=O)N1CCC(CNC(=O)Cc2ccco2)C1(C)C |
CC1(CNC(=O)c2cc(CO)on2)CCCN1C(=O)C1C2COCC21 |
Cc1cc(C(=O)N2CCCC(C)(CNC(=O)C(C)(C)O)C2)cnc1C |
Cc1[nH]ncc1C(=O)NC1CCN(C(=O)c2cn(C)cn2)C2CC12 |
COc1ccc(C(F)(F)C(=O)N2CC(NC(=O)C3CCO3)C2)cn1 |
CCOC(=O)C1(CC(=O)NCC(C)(C)c2cnccn2)CCOCC1 |
CC1CC(NC(=O)C2(C)CC2C)CN(C(=O)CCC2OCCO2)C1 |
Cc1[nH]cnc1C(=O)N1CC2CC(NC(=O)c3ccsc3C)C1C2 |
CCN(CC1CCN(C(C)=O)CC1)C(=O)c1cc2cccn2cn1 |
CC(C)OCc1ccc(NC(=O)C2(c3cnn(C)c3)CCCO2)nc1 |
Cc1cccc(C(=O)N(CCO)C2CCN(C(=O)C3CC(O)C3)C2)n1 |
CC(C)C(O)C(=O)NCC1CCC(NC(=O)c2ccc(O)cc2)CC1 |
CCC(=O)N(CC)C1CCCN(C(=O)C2OCC3CCCC32)CC1 |
Cc1c(C(=O)N2CCN(C(=O)Cc3nc[nH]n3)C(CO)C2)ccn1C |
COC1(C(=O)N2CC(C)C(NC(=O)c3cnc(C)nc3)C2)CCOC1 |
Cc1occc1C(=O)NC1CN(C(=O)c2cc(CO)[nH]n2)C(C)(C)C1 |
Cn1cccc1C(=O)NC1CCN(C(=O)COC2CCCNC2)CC1 |
CC1CN(C(=O)CC2CCC2)CC1NC(=O)c1ccc2[nH]nnc2c1 |
Cc1[nH]ncc1C(=O)N(C)C1CN(C(=O)CCC23CCC(CC2)C3)C1 |
Cc1nccnc1C(=O)NC1(C)CN(C(=O)C2CC3(CCCC3)C2)C1 |
CC(O)C(=O)N1CC(CN(C)C(=O)C2(C(C)C)CCC2)C2(CC2)C1 |
CC(CF)C(=O)NCCC1CCN(C(=O)c2ccc3c(c2)CCO3)C1 |
Subsets and Splits