smiles
stringlengths 28
59
|
|---|
O=C(CO)NCCC1CC(NC(=O)c2onc3c2CCCC3)C1 |
CCC(O)C(=O)N1CC(N(C)C(=O)c2ccc3ncsc3c2)C1 |
O=C(Cc1ccc(NC(=O)c2cc(=O)cc[nH]2)cc1)NCCO |
CN(CCN(C)C(=O)C(C)(C)C#N)C(=O)C1CC2CCCC2C1 |
CN(CC1CCN(C(=O)C(O)c2cnn(C)c2)CC1)C(=O)CO |
COc1noc(C2CC2)c1NC(=O)NCc1cncn1C1CC1 |
CSCCC(=O)N1CCC2(CC1)CN(C(=O)CC1CN(C)C1)C2 |
CC(C(=O)N(C)CC1(O)CN(C(=O)C(C)(C)C)C1)C1CCC1 |
CC(CN(C)C(=O)C(O)C(C)(C)C)NC(=O)C1CC2CCC2C1 |
CCC(NC(=O)C1CCN(C(=O)NC(C)C)CC1)C(O)C(F)F |
CCC(C)C(O)C(=O)N1CCN(C(=O)c2ccoc2)C(CC)C1 |
COCCC(=O)N1CCN(C(=O)CC(C)F)C(CC(C)(C)C)C1 |
Cc1ccc(C(=O)NC2CCCC2CNC(=O)C(C)C)cc1C |
CC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(C(=O)O)[nH]c1=O |
O=C(NC1CN(C(=O)C2CCCC2(F)F)C1)C1CCC2(CC2)C1 |
Cc1cnc(C(=O)NC2(C)CN(C(=O)CN3CCC3C)C2)nc1 |
COCC(=O)NC1CC(O)C(CNC(=O)C2CCOCC2)C1 |
COC(=O)C1CC(C(=O)N2CCCOC(CNC(C)=O)C2)C1 |
CC1=C(C(=O)N(CCN(C)C(=O)C2CCSC2)C(C)C)CCO1 |
C[S+]([O-])CCN1CCN(CCC2CCC3(CC2)OCCO3)CC1 |
Cn1cc(Cl)c(C(=O)NCC2(F)CC(NC(=O)CCC#N)C2)n1 |
CC1(C(=O)NCC2COC(CNC(=O)c3cnsc3)C2)CC1 |
CC(CNC(=O)C1CC12CC2)N(C)C(=O)c1cn(C2CC2)nn1 |
CN1CCC(C(=O)NC2CN(C(=O)Cc3c[nH][nH]c3=O)C2)C1 |
CCC(=O)N1CCCCC1C(=O)Nc1ccc(C(N)=O)c(O)c1 |
CCC(=O)N1CCC2C(C1)CN2C(=O)Cc1cc(C)sc1C |
Cc1nscc1C(=O)N1CCC1CNC(=O)c1cn(C)c(=O)[nH]1 |
CC(OC(C)(C)C)C(=O)N1CC2CCC(C1)N2C(=O)CCF |
CC1(NC(=O)C2CCC2)CN(C(=O)C23CCCCN2CCC3)C1 |
CN(CC1CCCN1C(=O)CC1CCNC1=O)C(=O)C1CC1 |
CC(C)n1cc(CNC2CCCN(c3ccn(C)n3)C2=O)cn1 |
CC(NC(=O)C(F)(F)c1c(F)cccc1F)(C(N)=O)C(F)F |
Cc1[nH]c(C)c(C(=O)N2CCC(CN(C)C(=O)CCF)C2)c1C |
CC1CC1C(=O)N1CC(CNC(=O)C2(C)CSC2)C2(CCC2)C1 |
Cc1nscc1C(=O)N1CC(N(C)C(=O)C2CCSCC2)C1 |
CC(CC(=O)N(Cc1ccccc1)C1CCNCC1)C(C)(C)N |
CC1=C(C(=O)N2CCCCC(NC(=O)c3cccs3)C2)CCO1 |
CC1=NOC(C(=O)NC2CCN(C(=O)CN(C)C3CC3)C2)C1C |
CCC(=O)c1ccc(C(=O)N2C3CCC2C(O)CCC3O)cc1 |
CCC(=O)N1CC(C)C(n2cc(-c3cncc(Cl)c3)nn2)C1 |
CC(F)CC(=O)NC1CCCCC1NC(=O)Cn1cncn1 |
CCC(C)C(NC(=O)c1ccccc1)C(=O)N1CC2(N)CC1C2 |
CC(C)N(CC(=O)NCC1CC(C)(C)CO1)C(=O)OC(C)(C)C |
CC(=O)c1ccc(C(=O)Nc2cc(F)cc(CO)c2)cc1F |
Cc1nc(C(=O)NC2C3CCN(C(=O)c4ccccn4)C32)c[nH]1 |
CC1=C(C(=O)N2CCC(NC(=O)c3cnsn3)C(F)C2)CCO1 |
CC1CN(C(=O)c2c[nH]cn2)CCCN1C(=O)c1cncs1 |
Cc1nccc(C(C)NC(=O)C2Cc3c(C)cccc3CN2)n1 |
CC(CNC(=O)c1ccncc1Cl)CN(C)C(=O)C1CC(F)C1 |
CCCC(=O)NC1CC(NC(=O)c2cnn(C(C)C)c2N)C1 |
CC(O)C(F)(F)C(=O)NCC1(NC(=O)c2cnco2)CCCC1 |
O=C(CC1CC1)N1CC(F)(CNC(=O)C2(C(F)F)CCCO2)C1 |
O=C(CCn1cc(-c2cncc(F)c2)nn1)NC1CCCSC1 |
CCC(O)CC(=O)NC1COCC1NC(=O)c1cnc(Cl)n1C |
CCC(O)C(=O)N1CC2CC1CCN2C(=O)c1cc(Cl)n(C)n1 |
N#CCCC(=O)N1CC(F)CC(NC(=O)C2CSCCS2)C1 |
CCC(COCC(F)(F)F)NC(=O)N1CCn2cnnc2C1C |
O=C(NC1CN(C(=O)CC2CC(F)C2)C1)c1ccnc(CO)c1 |
CCOc1cnc(C(=O)N2CC(S(=O)(=O)NC3CC3)C2)cn1 |
CC(CC(=O)N1CC(NC(=O)c2ccsc2C#N)C1)C(F)F |
CC(CC1CC1)C(=O)N1CCC2(CN(C(=O)c3ccon3)C2)C1 |
NCc1ccc(C(=O)NCc2c(F)cc(F)cc2F)cc1F |
O=C(NCC1(O)CN(C(=O)c2ccco2)C1)C1CC2(CCC2)C1 |
CC(=O)N(C)CC(=O)NCC1(NC(=O)c2csnn2)CCC1 |
CC(C)C(=O)N1CC2OCCN(C(=O)CC3CC3C3CC3)C2C1 |
O=C(CCC(F)F)NCC1(O)CN(C(=O)C2CCC(F)CC2)C1 |
CC(NC(=O)Cc1cn(C)nn1)C(C)NC(=O)c1cccnc1 |
COCCC(=O)N1CCCC1C(C)NC(=O)C(C)C(C)(C)C |
CCC(OC)C(=O)NC1CC(F)CN(C(=O)Cn2ccnn2)C1 |
CCC(=O)NCC1CC1CNC(=O)C1(O)CCCC(C)(C)C1 |
CCC(C)CCC(=O)NC1CN(C(=O)C23CC(C)(C2)C3)CC1C |
CC(C)OCC(=O)NCC1CCN(C(=O)c2cccs2)CC1C |
CCc1nn(C)c(CC(=O)NC2(CC(N)=O)CCNCC2)c1Cl |
N#CC1(C(=O)NCC2CCCC2NC(=O)C2=CCCS2)CC1 |
CCCC(C)(O)C(=O)N1CC(O)C(NC(=O)CC(C)(F)F)C1 |
Cc1[nH]ncc1C(=O)NCC1C2CN(C(=O)COC3CC3)CC12 |
O=C(CCC(F)F)N1CCC2CCN(C(=O)C3(F)CC3)CC2C1 |
CC1CN(C(=O)c2cnccn2)CCN1C(=O)C1CCSCC1 |
COC(=O)C1CNCC1C(=O)N1CCCCC1c1cc[nH]n1 |
CC1SCCCC1C(=O)N(C)CCN(C)C(=O)c1cncs1 |
C=C(Cl)CCC(=O)NC1CC(C)(NC(=O)C2CCC(C)S2)C1 |
CC(F)(F)CCC(=O)N1CCOC(CNC(=O)C2(O)CCC2)C1 |
CN(C)C1(C(=O)N2CC(CNC(=O)C3CC4CCC43)C2)CC1 |
CCc1cc(Cl)cc(C(=O)N2CCC(F)(CNC(C)=O)CC2)c1 |
O=C(NC1CC2CC1N(C(=O)C(F)F)C2)c1cc(Cl)cnn1 |
Cn1[nH]c(C(=O)N2CC(CNC(=O)CC#N)C3(CC3)C2)cc1=O |
COC1CC(C(=O)NC2(C)CCCN(C(=O)C(C)(C)OC)C2)C1 |
Cc1cccc(C(=O)N2CCC(C)(NC(=O)c3ccco3)C2)n1 |
CCOCC(=O)N1CCC(NC(=O)Cn2cc(Cl)cn2)C12CC2 |
Cc1scnc1C(=O)N1CCCC1CN(C)C(=O)C1(O)CCC1 |
CC(C(=O)O)n1cc(-c2ccnc(C(=O)NC3CCC3)c2)nn1 |
Cc1cc(C(=O)NC(C)CCNC(=O)C2CN(C)C2)c(C)s1 |
CC1CC(CC(=O)N2CCC(NC(=O)c3ccco3)CC2C)C1 |
CCC1(C(=O)N2CC3(NC(=O)CC(F)(F)F)CCC2C3)COC1 |
COC1CC(CCO)N(C(=O)NCC2CCS(=O)(=O)CC2)C1 |
Cn1ncc(NC(=O)Nc2cnccc2S(C)(=O)=O)c1C1CC1 |
O=C(CCCF)N1CCN(C(=O)Cn2nccn2)C2COCC21 |
CC1C(NC(=O)C2CCCOC2)CCCN1C(=O)CC1(C)CC1 |
CSCC(=O)NCCC12CCC1CN(C(=O)c1c[nH]cc1C)C2 |
CC1(CNC(=O)C2(O)CC2)CCCC1NC(=O)CC1(C#N)CC1 |
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