smiles stringlengths 6 131 |
|---|
CCSCCC(=O)N1CCN(C(=O)c2ccc3[nH]ccc3c2F)[C@@H]2CCCC[C@@H]21 |
C[C@H](CCNC(=O)CSCCN(C)C)N(C)C(=O)[C@@H]1Cc2ccccc2N1 |
C=C(F)C1(CC(=O)NC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)CSCC(C)C)CCC1 |
COc1cccc([C@@H](C(=O)N(C)C[C@H](C)N(C)C(=O)c2cscn2)C(C)C)c1 |
CCOc1cccc(CNC[C@@H]2CCCCN2C(=O)c2cc(C)nc(Cl)c2)n1 |
CCc1cnc(O)c(C(=O)N2CC[C@H]3CN(C(=O)c4ccnc(CC)c4)C[C@H]32)c1 |
N#CC1(F)CN(C(=O)[C@@H](NC(=O)c2ccoc2Cl)[C@@H]2CC=CCC2)C1 |
C=C=CCC(=O)N1CCC2(CC1)CCN(C(=O)c1cscc1Cl)C2 |
CC[C@H]1CN(C(=O)CSc2ccccn2)CC[C@@H]1NC(=O)c1ncccc1CO |
C=CCCO[C@@H](C)C(=O)NC[C@]1(COC)CCCN1C(=O)C=Cc1cnn(C)c1 |
O=C([C@@H]1CCCN1C(=O)CNCc1c(Cl)ccnc1Br)N1C[C@H]2CCC[C@@H]2C1 |
C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2ncccc2O)CC(C)(C)C1 |
C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)CC1(C)C |
CO[C@@H](C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1)c1ccccc1 |
CSCC[C@H](NC(=O)c1ccc(SC(C)C)cc1)c1nc(-c2ccncc2)no1 |
CCO[C@@H](C)c1noc(CNC(=O)[C@H]2NCCc3c(C)cccc32)n1 |
C=CC[C@@]1(NC(=O)COCc2nc[nH]n2)CCN(C(=O)CCc2cn(C)nn2)C1 |
CCc1cccc(NC(=O)[C@@H]2CC[C@H](CNC(=O)C3=CCCOCC3)O2)c1 |
C=C[C@@H]1CN(C(=O)[C@@H](O)[C@H](CCC)NC(=O)C2(NC(C)=O)CC2)CCO1 |
O=C(Cc1cc(F)ccc1F)N[C@@H]1C[C@H]2CNC[C@@H]21 |
Cc1nccnc1C(=O)N1CC[C@H](C(=O)N2C[C@H]3CC[C@H]2[C@H](O)[C@H]3O)C1(C)C |
CC(C)(C#CC(=O)N1CC(C)(F)C1)CNC(=O)CC[C@@H]1CCCO1 |
CCc1conc1CC(=O)N[C@]1(C)CCCN(C(=O)c2ccc(C3CC3)o2)C1 |
CCNC(=O)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc([C@H]3CCOC3)cn2)C1 |
C[C@H](NC(=O)C[C@@]1(C)CCN1C(=O)CCP(C)(C)=O)c1nncn1C |
COC1(C)CN(CC(=O)N2CC(CNC(=O)[C@H]3CC[C@@H]3c3ccccc3Cl)C2)C1 |
C[C@H](N=c1[nH]c(=NCCN(C)CCCN(C)C)[nH]c2c1COCC2)C1CCCC1 |
Cc1nn(CC(=O)N2CC[C@H](CCNC(=O)c3ncccn3)C2)cc1[N+](=O)[O-] |
CCCC[C@H](CC)CC(=O)N[C@H]1CC=CC[C@H]1C(=O)NCC(=O)NCCC |
CC(C)(C)c1ncc(C(=O)N[C@@H]2CC23CCN(C(=O)c2cccc(N)n2)CC3)s1 |
C[C@H](CF)CC(=O)N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1cc(C(C)(C)C)on1)C[C@@H]3C2 |
CC=C(C)C(=O)N(C)C[C@]1(O)CCN(C(=O)C(C)(C)F)C1 |
C[C@@]1(C(=O)NCc2ccc(F)c(O)c2)CCCN(C(=O)[C@H]2C=CCCC2)C1 |
CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1 |
COC(=O)[C@H](C)[C@H](C)NC(=O)CCCCCCNC(=O)[C@H](CO)C(C)(C)C |
O=C(C1=CCCCO1)N1C[C@H]2C[C@H](NC(=O)C34CCC(CC3)CO4)C[C@H]1C2 |
CC[C@H]1CCN(C(=O)[C@H](OC)C2CCCC2)[C@@H](C(=O)N(C)Cc2n[nH]c(C)n2)C1 |
Cc1ccccc1NC(=O)N1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C2(CC2)C1 |
CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@H](C)NC(=O)c2cccn3nncc23)C1 |
C[C@H](CC(F)(F)F)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)CC1 |
CCc1nc[nH]c1C(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)c1cc(Cl)n[nH]c1=N |
CCCCCC(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O)C1CC1 |
CC=C(CC)C(=O)NCCCC(C)(C)C(=O)NC[C@]1(C)NC(=O)NC1=O |
CC(C)(C)C(=O)NCC(=O)N1CCN(C2CN(C(=O)c3ccsc3Cl)C2)CC1 |
O=C(C=CCOc1ccccc1)N[C@@H]1CN(C(=O)c2cc(CCO)on2)C[C@@H]1F |
CCN1CCOC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CCc3cnnn3C2)CC1 |
N=c1[nH]cc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)[C@H]2CCCCS2)C3)s1 |
CC(C)(C)[C@@](C)(O)C(=O)N[C@@H]1CC[C@H](NC(=O)Cc2ccc(F)cc2)C1 |
CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2cnc(C3CC3)s2)C1 |
O=C(NCC1(NC(=O)[C@@H]2CCCn3cnnc32)CCOCC1)[C@@H]1CCOC1=O |
CCc1ccc(C(=O)N2CC[C@H]3[C@@H]2C[C@H]3NC(=O)C(C)(C)[C@H](C)O)nc1 |
COCC1(C(=O)N[C@@H]2CC[C@H](N(C)C(=O)CC(F)(F)Br)C2)CCCC1 |
Cc1nn(C(C)C)cc1C(=O)N1C[C@H]2C[C@H](NC(=O)c3c(C)nn(C)c3Cl)[C@H]1C2 |
CC[C@]1(C(=O)N[C@@H](CC(=O)OC)C2CC2)CCCN(C(=O)C2=CCCC[C@@H]2C)C1 |
CCNS(=O)(=O)CC(=O)N1C[C@H](NC(=O)c2ccc(F)c(F)c2F)C[C@H]1C |
CO[C@@H]1CN(C(=O)c2cn3c(n2)CCC[C@@H]3C)C[C@@H]1NC(=O)C1CC(=C2CC2)C1 |
C=C[C@@H](CCC)CC(=O)N(C)CC[C@H](C)NC(=O)c1ccccc1S(C)(=O)=O |
C[C@@H](CNC(=O)c1coc(-c2ccsc2)c1)NC(=O)[C@@H](C)n1cccn1 |
Cc1ccc(CCC(=O)N2CC[C@]3(C[C@H]3C(=O)NCC3(O)CC(CO)C3)C2)o1 |
COC(=O)c1ccc(NC(=O)[C@@H]2CCCN2Cc2cc(F)ccc2C)o1 |
C[C@H](c1ccc(O)cc1)N(c1nc(C2CC2)ncc1C#N)C1CC1 |
CC[C@@H](F)C(=O)NC1CC(NC(=O)C(C)(C)N(C)C(=O)OC(C)(C)C)C1 |
Cc1nc2cc(C(=O)N3CC[C@H](NC(=O)[C@@H]4C[C@H]4c4cccs4)[C@@H]3C)ccc2o1 |
C[C@@H]1C[C@@H](C(=O)Nc2cccc(F)n2)N(C(=O)/C=C/c2ccc(O)cc2)C1 |
COc1ccc(COCCC(=O)N[C@H](C)CCNC(=O)[C@@H](C)CC2CC2)cc1 |
C#CCN(CC#N)C(=O)[C@@H](O)c1cnn(C)c1 |
Cc1ccc(C(=O)N2C[C@H](CNC(=O)c3occc3Br)[C@@H]3C[C@@H]32)nc1C |
CC(C)C#CC(=O)N1CC(O)([C@@H](C)NC(=O)CCC(=O)N(C)C)C1 |
COc1cccc(NC(=O)c2cc(-c3ccc(-c4cc(C)sc4C)cc3)on2)n1 |
CCC(C)(C)[C@H](O)C(=O)N1CSC[C@H]1C(=O)N(CC(=O)OC)C1CC1 |
C[C@H]1CN(C(=O)[C@H](F)OC(F)(F)F)C[C@]1(C)C(=O)NC[C@H]1CC12CCCCC2 |
C[C@]1(NC(=O)c2cc(Cl)no2)C[C@H](NC(=O)c2[nH]ncc2C#N)C1 |
Cc1ccc(C(=O)N2CCCC(NC(=O)[C@H](C)C(C)C)CCC2)o1 |
C#Cc1cccc(C(=O)N2CCC[C@]2(CC=C)C(=O)NCCC/C=C/C)c1 |
Cc1ocnc1CN[C@H]1CCc2cc(Br)ccc21 |
CO[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)Cc1c(Cl)cccc1Br |
C[C@H](C(=O)N1CCC2(CN(C(=O)C3CCS3(=O)=O)C2)C1)N(C)C |
C#CCOCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(CC2CCOCC2)c1 |
Cc1cc(F)cc([C@@H](C)C(=O)NCC2(C(N)=O)CN(C(=O)[C@H](C)CC(C)C)C2)c1 |
Cc1nc(Cl)ccc1NC(=O)[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CCC(=O)N(C)C1 |
Cc1nc(CCC(=O)NCC(C)(C)NC(=O)c2ccn3c(O)nnc3c2)[nH]c1C |
Clc1nsc(CN2CCCC[C@@H]2Cc2ccccc2Br)c1Cl |
Cc1nn(CCC(=O)NCC2CN(C(=O)CC3(C#N)CCOCC3)C2)c(C)c1C |
CC(=O)NCC(=O)NCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2C[C@H]12)C1CC1 |
Cc1nnc([C@H](C)NC(=NCCC(=O)N2CCCC2)NCC(C)(C)C)s1 |
Cc1ccnn1CC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3[C@@H](C)[C@H]3C)c3nccn32)C1 |
CCOc1c(F)cccc1C(=O)NCC1CN(C(=O)CCCNC(=O)C2CC2)C1 |
C=CC=CCC(=O)N[C@@H]1CCSC12CN(C(=O)C1(C(F)(F)F)CCCC1)C2 |
O=C(Nc1cnc(O)nc1O)[C@@H]1CC2(CC2)CN1C(=O)CCc1cnccn1 |
O=C(NCCSc1ccc(F)cc1)N1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 |
CCOC(=O)N1CCN(C(=NCc2ncc(C(=O)OC)s2)NC2CCCC2)CC1 |
CN(CC1(O)CN(C(=O)C(C)(C)N(C)C)C1)C(=O)C[C@@H]1CN2CCN1CC2 |
CCn1cnnc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)OCCNC(=O)c1ccc(C)s1 |
CC[C@H](C)[C@H](C(=O)NC1CC(C)(C(=O)NC[C@@H](C)N2CCOCC2)C1)N(C)C |
COc1ccc(C=CC(=O)N2C[C@@H]3C[C@H](NC(=O)C4=CCCC4)[C@H]2C3)nc1 |
C=C=CCC(=O)NCCCN(C(=O)C1CC[C@H]2[C@H](CC1)C2(F)F)C(C)C |
CC(C)[C@@H](CNC(=O)[C@H](C)S(N)(=O)=O)NC(=O)c1cc2nc(Cl)ccc2s1 |
N#CCCCCCC(=O)N1CC[C@](CNC(=O)[C@@H]2CCCCS2(=O)=O)(C2CC2)C1 |
CCOC(=O)[C@@](C)(F)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccc(CN(C)C)[nH]1 |
C[C@@H]1CC[C@H](NC(=O)C(C)(C)CN(C)C)CN1C(=O)C[C@H]1CCCC1(F)F |
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