smiles
stringlengths 6
131
|
|---|
CCc1nnsc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[C@H]3CC[C@H]2O3)CC12CCC2
|
CC[C@H](CN(C)C(=O)C1=CCOCC1)NC(=O)[C@@H]1CS(=O)(=O)c2ccccc2O1
|
CCC[C@@](C)(CC)C(=O)NCC1CC2(C1)CN(C(=O)C1(OCC)CCC1)C2
|
CCCCCC[C@@](C)(CC)C(=O)NCC#CCNC(=O)[C@@H](CC)CC1CCCC1
|
CCCCCCCCNC(=O)[C@H](CC1CCCCC1)OC
|
N=c1nc(N2CC[C@@H](Oc3cccnc3)C2)[nH]c(=NCc2ccc(Br)cc2F)[nH]1
|
Cc1ccn(CC(=O)NC[C@H]2COC(C)(C)CN2C(=O)c2ccncc2C)n1
|
CCC(C)(C)N[C@@H](C)C(=O)N[C@H](C)c1ccc(CNC(=O)c2cnc(O)o2)cc1
|
CCCC(CCC)C(=O)N1CC(C[C@H](F)C(=O)N[C@@H](CO)C(C)(C)CO)C1
|
C#CCn1cnnc1C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)c1ccn(C)c1)CCO2
|
CCN1CC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cccc(O)c3F)[C@H]2C1
|
CC(C)n1ccc(-c2cn(C[C@@H]3CCN3C(=O)COc3cccnc3Cl)nn2)n1
|
CC[C@@H](C(=O)N1CC[C@@H](C)C(F)(F)C1)N(C)C(=O)CCN1CCCCC1
|
O=C(Cc1cc(Br)cc(Br)c1)N1CCN(C(=O)c2nc3ncccn3n2)[C@@H]2C[C@H]21
|
CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)[C@@]3(C)C=CCC3)CCC2(F)F)n[nH]1
|
CCc1nccn1CCNC(=O)c1cc(CNC(=O)C(F)F)ccn1
|
CCCC1(C(=O)N2CC[C@@H]3C[C@@H](NC(=O)Cc4ccnn4C)CC[C@H]3C2)CCC1
|
CC(C)c1nocc1C(=O)NC1(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1
|
C=CC[C@H](CNC(=O)c1cc(CSC)c(C)s1)NC(=O)[C@H]1CCCCN1CCC
|
C[C@@H]1CC[C@H](C(=O)NCC(C)(C)CN(C)C(=O)Cc2cc3ccccc3o2)O1
|
CC1(C)NC(=O)N(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C=CC(N)=O)C1=O
|
Cc1sc(N)c(C(=O)N2CCCO[C@@H](CNC(=O)C(C)(C)COC(C)C)C2)c1C
|
CCN1CCCC[C@@H]1C(=O)NCCCN(C)C(=O)[C@H]1Cc2nccn2C1
|
C[C@@H]1OC2(CNC(=O)CCc3nnc(S)n3C)CC1(NC(=O)C1=COCCO1)C2
|
COC1(C#N)CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc(CF)c3)[C@H](C)C2)C1
|
CC[C@@H](NC(=O)C1(Cc2ccccc2)CN(CCc2cccc(C)n2)C1)C1CC1
|
CC[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]1CC(=O)N1[C@H](C)C[C@@H]1C(=O)OC
|
CN(C)C(=O)C=CC(=O)N1C[C@H]2[C@@H](NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)C3(C)C)C[C@H]2C1
|
CC1=CC[C@H](C(=O)N2CC3(C(=O)NCC(C)(C(C)C)C(C)C)CCC2CC3)CC1
|
C[C@@H](O)[C@H]1COCCN1C(=O)C[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1
|
CN(C)C[C@H](CC(=O)N(CCNC(=O)c1cc(N)cnc1Cl)CC1CC1)C(F)F
|
CC1(NC(=O)[C@@]23CCC[C@H]2CCN3C(=O)C2CC3(CC(O)C3)C2)CC1
|
NC(=O)CSCC(=O)NC[C@H](NC(=O)Cc1ccn(CC(F)(F)F)n1)C1CCC1
|
COC(=O)c1cc(F)ccc1CN1CCC[C@H]1C(=O)Nc1cc(C)cc(Cl)n1
|
C[C@@H]1CCCC[C@]1(CNC(=O)COC[C@@H]1CCCO1)NC(=O)[C@@H]1CCCCN1C
|
CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1C[C@H](NC(=O)CSCC(F)(F)F)C1
|
COc1ccc([C@H](O)C(=O)N2C[C@H]3CCN(C(=O)C4(F)CC4)C[C@@H]3C2)cc1
|
COc1ccc(CN2CC[C@@H](OC(=O)C3(CCN(C)C)CC3)C2=O)cc1
|
Cc1sccc1C(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1noc2c1CCCCC2
|
CC(C)(C)O[C@H]1C[C@H](Nc2nccc(N3CCO[C@](C)(C(F)(F)F)C3)n2)C1
|
CC1CCC(F)(C(=O)NC[C@H](NC(=O)c2cc(S(N)(=O)=O)n(C)c2)C(C)C)CC1
|
C=C1C[C@@H]1C(=O)NC[C@H](Cc1ccccc1)N(C)C(=O)[C@H](O)CCCC
|
CC(C)/C=C/C(=O)N1CCC2(CC1)C[C@H]2CNC(=O)CSc1nnnn1C
|
C[C@@H]1C[C@@H](CNC(=O)c2c3c(nn2C)CCOC3)CN1C(=O)C1=C(Cl)CCC1
|
C#CCOC1CN(C(=O)C[C@@H](CNC(=O)[C@H](O)CC#C)C2CCC2)C1
|
Cn1ncc2cc(C(=O)N3CC[C@@H](NC(=O)CCC(C)(C)C)C34CCC4)cnc21
|
CS[C@H](C)CCNC(=O)[C@H](NC(=O)CCC[C@@H]1C[C@@H]1C)c1ccnn1C
|
O=C(c1cn2c(n1)CCCC2)N(CCNC(=O)[C@@]1(Cl)CC1(F)F)CC1CC1
|
C=C[C@@](C)(O)CC(=O)N1[C@H](CNC(=O)c2c[nH]cc(Br)c2=O)[C@H]2CC[C@@H]1C2
|
CCc1cc2c(N[C@H]3C[C@H](NC(=O)CCN4CC[C@H](F)C4)C3)nc(C)nc2s1
|
CCN(CC)C[C@@H](F)C(=O)N1CCN(C(=O)CCC2CC2)CC[C@@H]1C
|
C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSc1ccc(Cl)cc1Cl
|
Cc1cc(NC(=O)CCC2(NC(=O)c3cccnc3)CCCC2)cnc1F
|
O=C(N[C@@H]1CCN(C(=O)[C@@H](O)C2CCC2)C1)[C@H]1CC(=O)N(c2ccccc2F)C1
|
CCC[C@@H](CNC(=O)C(C)(C)OC(C)=O)C(=O)NC[C@]1(F)CCOC1
|
C=C[C@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1cn(CC#N)c2ccccc12
|
Cc1c[nH]c(C(=O)N2CC3(CCN(C(=O)[C@@]4(F)CCO[C@H]4C)CC3)C2)c1C
|
CC[C@@H]1CCN(C(=O)[C@H]2CC(C)(C)CCO2)[C@@H]1C(=O)NCc1cc(C)nc(C)c1
|
COC(=O)c1ccn(CC(=O)N2CC[C@@H](NC(=O)c3cnsn3)C23CC3)n1
|
COc1nc(-c2ccc3ncsc3c2)ccc1C(=O)NC[C@@H]1CNC(=O)CO1
|
C[C@@H](CCNC(=O)C[C@H]1CC[C@H]1C)N(C)C(=O)c1cn(CCCF)nn1
|
C[C@H](O)[C@@H]1CCOCCN1C(=O)[C@@H](Cc1cccnc1)C1CCCC1
|
C[C@@H](C(=O)NCCC1CC(NC(=O)C=C(Cl)Cl)C1)c1ccc(Cl)s1
|
CC1(C)CC[C@@H](CO)N(C(=O)[C@@H]2CCN(C(=O)C3=NOCC3)C2)C1
|
Cc1cc(Cl)nc(C(=O)N[C@H]2CCN(C(=O)c3c(CO)noc3C)C[C@H]2C)c1
|
CC(C)C[C@H](C(N)=O)C(=O)N1CC2(CO[C@@H](CNC(=O)C[C@H]3CCSC3)C2)C1
|
CCC(=CC(=O)N[C@@H]1CN(C(=O)CSc2nncs2)CC1(C)C)CC
|
CCN(CC)[C@H](C(=O)NCC1(CNC(=O)[C@]2(Cl)CC23CCC3)CC1)C(C)C
|
CSC1CC(C(=O)N2CC[C@@H](C)N(C(=O)Cc3ccc(C)s3)CC2)C1
|
C[C@H](NC(=O)COCC(F)F)[C@@H]1CN(C(=O)c2cc(N)c(Cl)c(O)n2)CCO1
|
CN=c1[nH]c(=NCCOC[C@@H]2CCOC2)[nH]c(=NC2CC3(CCCC3)C2)[nH]1
|
C#CCN(CC(=O)NC[C@@H]1CCN(C(C)C)C1)C(=O)CN(C)C(=O)OCC
|
CCOC(=O)C1(C(=O)N2[C@H](C(=O)N(C)CC3(COC)CCC3)CCC23CC3)CC1
|
C[C@@H](Cc1cccnc1)C(=O)NCC1(CCNC(=O)CCN2CCCC2=O)CC1
|
NC(=O)NC1(C(=O)N2CCC[C@@H](NC(=O)CC3(C4CC4)CC3)C2)CCCCC1
|
C=CCO[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(Cl)c2ccncc2n1
|
CC(C)=CC(=O)N[C@]1(C)C[C@@H](NC(=O)c2nc(N3CCOCC3)nc(=N)[nH]2)C1
|
Cc1cc(C(=O)N[C@H](C(=O)NC[C@@H]2[C@H](CO)C2(F)F)C(C)(C)O)n[nH]1
|
CCc1noc(CNC(=O)[C@@H](F)C2(O)CN(C(=O)C3(C#N)CCCC3)C2)n1
|
C[C@@H](CNC(=O)Cc1c[nH]c2cnccc12)CN(C)C(=O)Cc1cc[nH]c(=N)c1
|
C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)Cn2ccc3ccc(F)cc32)CCS1
|
Cc1cc2c(C(=O)NCC3(NC(=O)c4nc(C)c(C)[nH]c4=O)CC3)cccc2[nH]1
|
CN1N=C[C@H](CC(=O)N2CCO[C@H](CNC(=O)c3ccncn3)C2)C1=O
|
CC[C@H](CNC(=O)c1cnn(-c2ccccn2)c1N)NC(=O)[C@H](C)CSC
|
CCOc1cc(C(=O)NC[C@@H]2CCN(c3ncnc4c(F)c(F)ccc34)C2)[nH]n1
|
N#C[C@@H]1CCN(C(=O)[C@]23C[C@@H]2CN(S(=O)(=O)c2cc(Br)c(Br)s2)C3)C1
|
C/C=C/C[C@H](CC)C(=O)N(CC)[C@@H](C)CNC(=O)c1ccc(CO)o1
|
CC(C)[C@H](C)CC(=O)N(C)[C@H](C)CC(=O)N1CCC12CCC(O)CC2
|
COC1(C)CN(CC(=O)N[C@@H]2C[C@H](O)CN(C(=O)CCc3cncs3)C2)C1
|
CCC[C@@H](N[C@@H](c1cc(F)ccc1OC(F)F)c1nnnn1C)C1CCC1
|
CO[C@@](C)(C(=O)NCCOCCN(C)C(=O)[C@@]1(Cl)CC1(C)C)C1CC1
|
Cn1nnc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1C(=O)NCCOCC1CC1
|
Cn1cc(C(=O)C(=O)N2CC(OCCC(=O)N3CC[C@@H](c4ncco4)C3)C2)cn1
|
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCc3cc(F)c(F)cc3I)(CC1)C2
|
COc1cc(CNC2CC(NC(=O)c3cccc(C(C)(C)C#N)c3)C2)c(F)cn1
|
C#C[C@]1(C(=O)N2C[C@@H]3CC[C@H](C2)N3CC)CCN(C(=O)[C@H]2C[C@H]2Cl)C1
|
CS(=O)(=O)NC[C@H]1CN(C(=O)[C@@H](N)CCC(=O)O)CCO1
|
C[C@H](CCc1ccc(C(F)(F)F)cc1)N[C@@H]1CCc2c(ncn2C)C1
|
COc1cc(Br)cc(F)c1C(=O)NC1CN(C(=O)Cc2cc(F)cc(Cl)c2)C1
|
CC[C@@H](C[C@@H](C)O)NC(=O)CC1(N(C)C(=O)CN2CCCNC2=O)CC1
|
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