smiles
stringlengths 30
59
|
|---|
CC(C)CC(=O)N1CC2CCCC2(NC(=O)CCc2ccnn2C)C1 |
CC(C)C(=O)NCC1(CNC(=O)c2ccc3nnnn3c2)CCCC1 |
COc1ccsc1C(=O)N1CCC2(CCCC2NC(=O)CC#N)C1 |
COC(C)C(=O)N1CC(CNC(=O)c2ccncc2)CC12CCC2 |
Cc1cc(=O)n(C)nc1C(=O)NCC1CN(C(=O)C2CCCC2)C1 |
CCC1(C(=O)NCC2CC(OC)CN2C(=O)c2cn[nH]c2)COC1 |
CC1(C)CC1C(=O)N1CCN(C(=O)CN2CCCC2=O)C(C2CC2)C1 |
CNC(=O)C1(O)CCN(C(=O)C(C)(C)CN2CCN(C)CC2)CC1 |
Cc1ccc(NC(=O)C2CCCN(C3=NC4CCCCC4N3)C2)nc1 |
CC(C)C(=O)N1CCCC(O)(CCNC(=O)c2c[nH]c(C3CC3)n2)C1 |
O=C(NC1CC2(C1)CN(C(=O)c1ccco1)C2)c1cccc(F)c1O |
COc1ccc(C(NC(=O)C2(N)Cc3ccccc3C2)C(C)O)cc1 |
Cc1c[nH]cc(C(=O)NCC2C(C3CC3)CCN2C(=O)CC#N)c1=O |
CCC1(C(=O)NC2CCN(C(=O)c3c[nH]cn3)CC2F)CCCC1 |
CC(C)(C)C(O)CC(=O)N1CCN(C(=O)c2cncc(O)c2)CC1 |
NC1CCCCN(CC(=O)N2CCCCC2Cc2ccccn2)C1=O |
Cn1ccnc1C1CC(NC(=O)NC2COC(C)(C)OC2)CCO1 |
Cc1cc(C(=O)NC2CN(C(=O)C(C#N)C3CC3)CC2C)cn1C |
Cc1cc(C(=O)NC2CC(NC(=O)CCC(C)C)C23CCC3)no1 |
CN(C(=O)C1CC1C(N)=O)C1CN(C(=O)c2ccn(C(C)(C)C)n2)C1 |
N#CCC(=O)N1CCCC2CN(C(=O)c3cncn3C3CC3)CC21 |
CC(=O)NC1(CNC(=O)c2cnn(C)c2-c2ccccc2)CCCC1 |
CC(C)C(=O)NCc1ccc(C(C)NC(=O)c2cnc(N)nc2)cc1 |
CC1CC1C(=O)N1CCC(C)(CNC(=O)c2cc3c(nn2)CCC3)C1 |
CCC(F)C(=O)NC1CCCCC1NC(=O)c1cnn2ccncc12 |
CC(OC1CCCC1)C(=O)NC1(CO)CN(C(=O)c2cccnc2)C1 |
CCC(C)C(=O)N1CCCN(C(=O)Cc2ncccc2C)CC1C |
Cc1ncccc1CCC(=O)NC1CC(C)(NC(=O)OC(C)(C)C)C1 |
Cc1ncc(C(=O)NC2CC(NC(=O)C(C)(C)c3ccno3)C2)o1 |
Cc1nc(C)c(C(=O)N2CCOCC(NC(=O)C3C(C)C3C)C2)o1 |
COCC1(C(=O)N2CC3(CCN(C(=O)C4CC(C)(C)C4)C3)C2)CC1 |
CC(O)c1ccc(C(=O)N2CC3CC2CN3C(=O)C2CCC2C)cc1 |
N#CC(C(=O)N1CCC(F)(CNC(=O)c2ccc(=O)[nH]c2)C1)C1CC1 |
CC(C(=O)N1CC(NC(=O)C2(N(C)C)CC2)CC1(C)C)C(F)(F)F |
COc1cc(C(=O)NC2CCC23CN(C(=O)c2ccncc2)C3)on1 |
O=C(CC1CCC2(CNC2)CO1)NC1CCCN(c2cnccn2)C1 |
O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCNC(CCO)C1 |
CCC(C)(OC)C(=O)N1CC(NC(=O)C2CC2c2ccn(C)c2)C1 |
Cc1[nH]nnc1C(=O)NC(C)(CNC(=O)C1CC2CC2C1)C(C)C |
CCCC(=O)N1CCC2(CCCN2C(=O)C(C)OCC(C)C)CC1 |
Cn1c(C#N)ccc1C(=O)NCC(C)(C)NC(=O)CC1CNC(=O)C1 |
CC(C)C(=O)NCC1(F)CC(NC(=O)c2cc3n(n2)CCCN3)C1 |
O=C1CCC(C(=O)NC2CC2NC(=O)c2ccn3ccnc3n2)CN1 |
Cn1c(C(=O)N2CCC(NC(=O)c3ccccc3)C2)cccc1=O |
Fc1cc(-c2ccccc2)ccc1CN1CC(N2CCNCC2)C1 |
CCc1cc(F)ccc1C(=O)N1CCC(NC(=O)c2ccon2)C1 |
CC(C)C=Cc1cn(CC(=O)N2CCC(CN3CCCC3)C2)nn1 |
N#Cc1cccc(C2CC2C(=O)NC2CCN(C3CCOC3)CC2)c1 |
Cc1ocnc1C(=O)N(C)CCN(C(=O)C1C2CCCC21)C(C)C |
CC(C)N1CC(C(=O)N(C)CCNC(=O)C2CCc3ncnn3C2)C1 |
CCC(C)CCC(=O)NC1C2CN(C(=O)c3cc(=O)cc[nH]3)CC21 |
CCOc1ccc(CNC(=O)Cc2c(O)[nH]c3ccc(F)cc23)cc1 |
CCC(NC(=O)NCC1(c2ccccc2C)CCOCC1)C(C)(C)O |
COC(=O)C1(NCc2cn(-c3ccc(F)cc3)nn2)CCC(C)CC1 |
COc1cc(C)cc(OC)c1COC(=O)Cc1nnn(C(C)(C)C)n1 |
CCC1(CC)CC(NC(C)=O)CN1C(=O)COc1ccccc1F |
CC1(C2CC2)CN(C(=O)CCCC(=O)O)CCN1Cc1ccccc1 |
O=C(NCCc1cnn2c1CCCC2)N1CC(c2nc(=O)cc[nH]2)C1 |
CC(C)CC(=O)N1CC2(CCCC(CNC(=O)Cn3cccn3)O2)C1 |
O=C(O)CCN1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1 |
CC(C(=O)N1CCOC2(CN(C(=O)Cn3cncn3)C2)C1)C1CCC1 |
Cn1cnc(C(=O)NCC23CC2CN(C(=O)c2ncccc2F)C3)c1 |
CC1CCC(C(=O)NC2CN(C(=O)CC(C)c3cnn(C)c3)C2)CC1 |
CCc1nc(C(=O)N2CCC(CO)(NC(=O)C(C)C3CCC3)C2)co1 |
CCC(O)CC(=O)N1CCCCC(NC(=O)c2ccccc2F)C1 |
COC(=O)c1ccc(CNC(=O)C(C)(c2ccccc2)N(C)C)nc1 |
Cc1[nH]ccc1C(=O)NC1CC(F)(CNC(=O)c2cncnc2)C1 |
Cc1occc1C(=O)N1CCN(C(=O)C2(CN(C)C)CCCC2)CC1 |
Cn1nccc1C(=O)NCC(C)(C)NC(=O)Cc1ccncc1Cl |
CN(CC(O)CN(C)C(=O)C12CCCC1C2)C(=O)c1ccn[nH]c1=O |
CC(CCNC(=O)C1(C)CCOC1)NC(=O)c1cnc2[nH]cnc2c1 |
CC(C(=O)NCC1CNC(=O)C(C)(C)C1)n1cc(-c2cc[nH]n2)nn1 |
Cc1ccc(C(C)C(=O)NCC(C)(C)NC(=O)c2ccn(C)c2)s1 |
Cc1cc(C(=O)N2CC3CC(C2)C(NC(=O)C2CC2F)C3)cc(=O)[nH]1 |
CCOC1CC(NC(=O)c2ccc(C)cc2-n2cc(C(C)O)nn2)C1 |
Cc1cc(C(=O)NCC(C)NC(=O)CN2CCCC2)cc(C)c1F |
COc1ccc(C(C)NC(=O)CNC(=O)OCc2ccccc2)cc1 |
CC(NC(=O)c1ccco1)C1CN(C(=O)C2CC(C)(C)C2)CCO1 |
Cc1ccc(-c2cn(CC3(O)CC(NC(=O)C4CCC4)C3)nn2)cc1 |
CC1C(C)C1C(=O)N1CCOCC(CNC(=O)c2cn[nH]c(=O)c2)C1 |
O=C(NCC1CCCN(C2CCCC2)C1)C1CC(C(F)(F)F)CN1 |
O=C1CC2CC(C(=O)O)CC(C1)N2C(=O)Cc1ccc2c(c1)OCO2 |
CC(CN1CCN(C(=O)COC2CCNC2)CC1C)c1ccccc1 |
Cc1nc(C(=O)NC2CCCN(C(=O)CC3CC(F)(F)C3)C2)co1 |
CN(C(=O)c1cccnc1)C1CN(C(=O)CCCC2CCC2)CC1O |
CC(C)(C)OCC(=O)N1CCCC(NC(=O)C2CC3CC3C2)CC1 |
O=C(CC1=Cc2ccccc2C1)NC1CCN(C(=O)C2CC2F)C1 |
COc1cc(C(F)(F)F)ncc1NC(=O)C1CC2CCC1NC2=O |
COC(C)CC(=O)N(C)C1CN(C(=O)c2c(F)ccc(C)c2F)C1 |
O=C(NC1C2CCC1N(C(=O)C1CC1)C2)c1ccnc(OCCO)c1 |
Cc1cnccc1C(=O)NCC(O)CNC(=O)c1cccc(=O)n1C |
COC(=O)c1cccc(C(=O)NC(C)(C)c2ncccc2F)c1OC |
COC(=O)CC(C)C(=O)NC1C2CN(C(=O)Cc3ccoc3C)CC21 |
COCC(=O)NC1C2CN(C(=O)c3cnn4c(C)cc(C)nc34)CC21 |
COC1(C(=O)N2CC3CN(C(=O)c4ccnc(N)c4)CC3C2)CCC1 |
CCC(C)C(=O)NC1CCCN(C(=O)c2cnc3c(c2)COC3)C1C |
CC1CC2(C(=O)N3CCOC(CNC(=O)c4ccc(C#N)[nH]4)C3)CC12 |
Cc1coc2ccc(C(=O)N3CC(C4CN(C(=O)C(C)C)C4)C3)cc12 |
CC(CN(C)C(=O)CC1CC1)N(C)C(=O)c1cnn(C(C)(C)C)c1 |
C=Cn1nccc1C(=O)NC1CN(C(=O)C2(CO)COC2)CCC1C |
Subsets and Splits