344 SMILES Strings for Vitamin K-dependent protein C

Compound Name
SMILES String
CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCn2cnnn2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1 |r|
CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
N=C(N)c4ccc(CNC(=O)[C@H](CCC1CCNCC1)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc3ccccc3)cc4
CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r|
N=C(N)c4ccc(CNC(=O)[C@H](CCC1CCNCC1)NC(=O)[C@@H](CCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc3ccccc3)cc4
COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r|
CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C
CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 |r|
CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC[C@H](C)NC(=O)[C@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3)C(C)C |r|
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(nc1N)N1CCCCCC1
COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1
NC(=N)NC(=O)c1nc(-c2cc3c(F)cccc3o2)c(nc1N)N1CCCCCC1
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1 |r|
COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3ncn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](CC1=O)c1cccc(Cl)c1 |r,t:17|
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cccc(Cl)c1 |r,t:17|
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1
NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
COc1ccc2sc(cc2n1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O
NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4cnccc4s3)C2=O)c1
COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O |r|
NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 |r|
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(N)=O)NC(C)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)NC(C)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC1=O)C(O)=O |r|
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1
c1ccc(cc1)S(=O)(=O)N[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](NC2=O)C(=O)NCc6ccc(cc6)CN)CC4
[H][C@@]1(N)Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2
[H][C@@]1(N)Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)CCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC=O
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)OCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)Cc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)CCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)CCCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)CCCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCCCCNC(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)Cc4ccccc4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)OCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@@]([H])(NC(=O)OC)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)Cc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)CCCC
[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(CN)cc1)cc3)cc2)NC(=O)OC(C)(C)C |r,wU:28.29,wD:1.0,(12.95,-19.34,;12.9,-20.87,;12.86,-22.4,;11.86,-23.57,;10.35,-23.28,;9.36,-24.44,;9.87,-25.89,;9.12,-27.38,;9.86,-28.75,;9.05,-30.08,;11.42,-28.79,;12.16,-30.16,;13.72,-30.2,;14.52,-28.89,;16.05,-28.93,;16.77,-30.28,;15.97,-31.58,;14.44,-31.53,;18.33,-30.32,;19.15,-29,;20.71,-29.04,;21.45,-30.42,;21.48,-27.69,;19.67,-26.19,;20.04,-24.68,;18.92,-23.6,;17.42,-24.03,;16.87,-22.17,;16.91,-20.22,;16.96,-18.69,;15.56,-20.95,;14.26,-20.14,;14.3,-18.61,;18.21,-21.03,;18.16,-22.56,;19.56,-20.3,;20.86,-21.1,;22.21,-20.38,;23.51,-21.19,;24.86,-20.47,;24.91,-18.93,;26.28,-18.2,;27.61,-19.02,;23.6,-18.13,;22.25,-18.85,;17.04,-25.54,;18.16,-26.63,;11.38,-26.17,;12.37,-25,;11.6,-20.07,;10.23,-20.81,;10.19,-22.37,;8.9,-19.99,;7.53,-20.73,;8.3,-22.07,;6.75,-22.07,;6.2,-19.92,)|
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCCCCN
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)N(C)C)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N
Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22|
NC(=N)c1cccc(c1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1
Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12
Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12
[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1 |t:40|
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc2ccccc2c1)C(=O)c1nccs1
NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
NC(=N)NCCC[C@@H](NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1nccs1
NC(=N)NCCC[C@@H](NC(=O)CN1CCN(CC1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc2cccnc12)C(=O)c1nccs1
NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc2c(Cl)cccc2c1)C(=O)c1nccs1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N1CCN(CC(=O)NC(CCCNC(N)=N)C(=O)c2nccs2)C(=O)C1
NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
NCc1ccc(Cl)c(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
NCc1cccc(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
Cc1ccc(CN)cc1NC(=O)CN1CCCCC(NC(=O)c2ccc(cc2)-c2ccccc2)C1=O
Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2CN)n(n1)-c1cc2ccccc2cc1F
Cc1cc(C(=O)Nc2ccc(cc2F)N2CCOCC2=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
CN(C)C(=N)c1ccc(NC(=O)c2cc(nn2-c2cc3ccccc3cc2F)C(F)(F)F)c(F)c1
CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1 |c:4|
CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(CCN(C)C(N)=N)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCS1 |t:32|
NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(C)C1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:3|
CN(CCN(C)C(C)=N)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCOCC3)cc2)nc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CN(CCO)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCOC3=N)cc2)nc1
CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1C |t:32|
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNCC3)cc2)nc1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNC3=O)cc2)nc1
CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
OC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CN\C(=N\C)N(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1 |t:32|
CCN(CC)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(C[n+]3ccccc3)cc2)nc1
NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CNC(=N)N(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
COCCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(C)CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
NC1=NCCCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNC3=S)cc2)nc1
CC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|
NC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3)cc2)nc1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(=N)c1ccccc1
NC1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(N)=N
C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
NC1=NCCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|
CCOC(=O)CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CNCCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(C)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
OC1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CN(CC(O)=O)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CCOC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3=O)cc2)nc1
C[N+]1(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CCCC1
NC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCCC3)cc2)nc1
CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCO1 |t:32|
CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1 |c:4|
C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO |w:10.11|
CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1
CC[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](Cc2ccccc2)NCC(O)=O)cc1
CC(C)(NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccc3cccc(C1)c23)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccncc2C1)C(=O)NCc1ccc(cc1)C(N)=N
NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc1ccc(cc1)C(N)=N
C[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)CNCC(O)=O)cc1
COc1cc2CC(Cc2cc1OC)(NC(=O)[C@H](NCC(O)=O)C(C)C)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2-c2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)C[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
CCC(C)C[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](NCC(O)=O)C2CCCCC2)cc1
CC(C)(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccc3ccccc3c2C1)C(=O)NCc1ccc(cc1)C(N)=N
CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cc3ccccc3cc2C1)C(=O)NCc1ccc(cc1)C(N)=N
NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)C2(CCCC2)NCC(O)=O)cc1
C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl
C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
CCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
OC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
CC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
OC[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
CCS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F
CC(C)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)CCCCCc2[nH]c3ccc(Cl)cc3c2CNC1=O)C1CCCCC1 |r|
CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](C\C=C\Cc2[nH]c3ccc(Cl)cc3c2CNC1=O)c1ccccc1)C1CCCCC1 |r,t:14|
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CC=C)c1ccccc1)C1CCCCC1)C(=O)NCc1c(CC=C)[nH]c2ccc(Cl)cc12 |r|
CC(C)C[C@H](NC(=O)[C@H](NC(=O)CCC=C)C1CCCCC1)C(=O)NCc1c(CC=C)[nH]c2ccc(Cl)cc12 |r|
c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N
CC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2 |TLB:37:36:1:5.4|
CN1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-c1cccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-c2ccccc2)-[#7]S(=O)(=O)[#6]-c2cccc(c2)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(CNC(=O)CC[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)c3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4ccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)cc4)c3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:11.10,wD:40.41,(10.73,-8.05,;9.41,-8.84,;9.42,-10.38,;8.06,-8.08,;6.74,-8.86,;5.4,-8.11,;5.39,-6.57,;4.05,-5.81,;4.03,-4.27,;2.69,-3.51,;1.36,-4.3,;2.68,-1.97,;4,-1.18,;3.98,.36,;2.63,1.11,;2.61,2.65,;3.94,3.43,;5.27,2.67,;6.6,3.46,;6.58,5,;7.91,5.78,;9.25,5.02,;7.89,7.32,;6.55,8.08,;5.22,7.29,;3.88,8.05,;3.87,9.59,;5.19,10.38,;6.53,9.62,;2.53,10.35,;1.21,9.57,;-.13,10.33,;1.22,8.03,;-.11,7.25,;-.09,5.71,;1.25,4.94,;1.26,3.4,;-.07,2.63,;-1.41,3.4,;-2.73,2.62,;-2.73,1.08,;-4.06,.3,;-5.39,1.07,;-6.17,2.41,;-4.63,2.41,;-6.72,.29,;-8.06,1.05,;-8.06,2.59,;-9.4,3.35,;-10.73,2.58,;-10.72,1.03,;-9.38,.27,;-1.39,.32,;-.06,1.09,;-1.38,-1.22,;-1.42,4.93,;5.3,1.14,;6.7,-5.78,;8.04,-6.53,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4cccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)c4)c3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCC=CCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)c4)nn3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCCCCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3|
CCN(CC)CC(=O)NS(=C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r|
C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:37.38,wD:11.10,(75.05,-3.68,;75.03,-5.21,;76.35,-6,;73.69,-5.97,;73.66,-7.51,;72.31,-8.25,;71,-7.47,;69.65,-8.22,;68.34,-7.43,;66.99,-8.18,;66.97,-9.72,;65.67,-7.39,;64.32,-8.14,;64.31,-9.68,;62.97,-10.45,;62.96,-11.98,;64.39,-12.79,;63.08,-14.96,;63.13,-16.49,;64.47,-17.22,;61.82,-17.29,;60.47,-16.56,;59.16,-17.36,;57.82,-16.63,;57.78,-15.1,;59.08,-14.29,;60.43,-15.02,;56.43,-14.38,;56.42,-12.84,;55.08,-12.09,;57.74,-12.07,;57.73,-10.53,;59.05,-9.75,;59.04,-8.21,;60.36,-7.43,;61.7,-8.2,;63.03,-7.42,;63.01,-5.88,;61.67,-5.11,;60.34,-5.9,;59.57,-7.23,;61.11,-7.23,;59,-5.13,;57.68,-5.91,;56.34,-5.14,;55.01,-5.92,;55.01,-7.46,;56.34,-8.23,;57.68,-7.46,;64.34,-5.09,;64.33,-3.55,;65.68,-5.85,;61.72,-9.73,;60.4,-10.52,;65.63,-11.99,;65.64,-10.46,;71.01,-5.93,;72.35,-5.17,)|
C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r|
C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1 |r,wU:39.40,wD:11.10,(23.16,-38.31,;23.14,-39.85,;24.46,-40.63,;21.8,-40.6,;21.77,-42.14,;20.42,-42.88,;19.11,-42.1,;17.76,-42.85,;16.45,-42.06,;15.1,-42.81,;15.08,-44.35,;13.78,-42.03,;12.43,-42.78,;12.42,-44.32,;11.08,-45.08,;11.07,-46.62,;12.4,-47.39,;12.39,-48.93,;11.06,-49.69,;9.74,-48.91,;11.06,-51.22,;9.72,-51.98,;8.4,-51.21,;8.41,-49.68,;7.1,-48.91,;5.76,-49.66,;5.75,-51.2,;7.08,-51.98,;4.44,-48.89,;4.45,-47.35,;5.79,-46.6,;5.8,-45.06,;8.53,-46.68,;8.51,-45.15,;7.16,-44.39,;7.15,-42.84,;8.47,-42.07,;9.81,-42.83,;11.14,-42.05,;11.12,-40.51,;9.78,-39.75,;8.45,-40.54,;7.68,-41.86,;9.22,-41.86,;7.11,-39.77,;5.79,-40.55,;4.45,-39.78,;3.12,-40.55,;3.12,-42.1,;4.45,-42.87,;5.79,-42.1,;12.45,-39.72,;12.44,-38.18,;13.79,-40.48,;9.83,-44.36,;13.74,-46.63,;13.75,-45.09,;19.12,-40.56,;20.47,-39.81,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1 |r,wU:39.40,wD:11.10,(72.19,-20.4,;72.17,-21.94,;73.49,-22.72,;70.83,-22.69,;70.8,-24.23,;69.45,-24.97,;68.14,-24.19,;66.79,-24.94,;65.48,-24.16,;64.13,-24.9,;64.11,-26.44,;62.81,-24.12,;61.46,-24.87,;61.45,-26.41,;60.11,-27.17,;60.1,-28.71,;61.43,-29.49,;62.77,-28.72,;64.19,-31.03,;62.87,-31.8,;61.53,-31.04,;62.87,-33.33,;61.55,-34.11,;60.22,-33.35,;58.89,-34.12,;57.57,-33.36,;57.56,-31.83,;58.87,-31.05,;60.21,-31.81,;56.23,-31.08,;56.21,-29.55,;54.88,-28.79,;53.56,-29.57,;54.87,-27.26,;56.19,-26.48,;56.18,-24.94,;57.5,-24.16,;58.84,-24.92,;60.17,-24.14,;60.15,-22.6,;58.81,-21.84,;57.48,-22.63,;56.7,-23.95,;58.25,-23.95,;56.14,-21.86,;54.82,-22.64,;53.48,-21.87,;52.15,-22.64,;52.15,-24.19,;53.48,-24.96,;54.82,-24.19,;61.48,-21.81,;61.47,-20.27,;62.82,-22.58,;58.86,-26.45,;57.54,-27.24,;62.78,-27.18,;68.15,-22.66,;69.49,-21.9,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1 |r,wU:37.38,wD:11.10,(21.45,-20.15,;21.42,-21.69,;22.75,-22.47,;20.08,-22.44,;20.06,-23.98,;18.71,-24.73,;17.4,-23.95,;16.05,-24.69,;14.73,-23.91,;13.39,-24.65,;13.37,-26.19,;12.06,-23.87,;10.72,-24.62,;10.71,-26.16,;9.37,-26.92,;9.36,-28.46,;10.69,-29.24,;10.68,-30.77,;12.01,-31.54,;13.34,-30.78,;12,-33.07,;9.51,-33.1,;8.19,-33.87,;6.86,-33.12,;6.85,-31.59,;8.16,-30.8,;9.35,-31.53,;5.52,-30.84,;5.5,-29.31,;4.16,-28.56,;6.82,-28.53,;6.8,-26.99,;5.45,-26.23,;5.43,-24.69,;6.76,-23.91,;8.1,-24.67,;9.42,-23.89,;9.41,-22.35,;8.07,-21.59,;6.74,-22.38,;5.96,-23.7,;7.5,-23.7,;5.4,-21.61,;4.07,-22.39,;2.74,-21.62,;1.41,-22.4,;1.4,-23.94,;2.74,-24.71,;4.08,-23.94,;10.74,-21.56,;10.73,-20.02,;12.08,-22.33,;8.12,-26.2,;12.03,-28.47,;12.03,-26.93,;17.41,-22.41,;18.75,-21.65,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:38.39,wD:11.10,(46.63,-3.72,;46.61,-5.26,;47.93,-6.04,;45.27,-6.01,;45.24,-7.55,;43.89,-8.29,;42.58,-7.51,;41.23,-8.26,;39.92,-7.47,;38.57,-8.22,;38.55,-9.76,;37.25,-7.44,;35.9,-8.19,;35.89,-9.73,;34.55,-10.49,;34.54,-12.03,;35.87,-12.8,;37.21,-12.04,;38.54,-12.81,;38.53,-14.34,;39.86,-15.11,;36.03,-17.42,;34.69,-16.66,;33.37,-17.44,;32.04,-16.69,;32.03,-15.16,;33.34,-14.37,;34.68,-15.13,;30.7,-14.41,;30.68,-12.88,;29.34,-12.12,;32,-12.09,;31.98,-10.56,;30.63,-9.8,;30.62,-8.25,;31.95,-7.48,;33.28,-8.24,;34.61,-7.46,;34.59,-5.92,;33.25,-5.16,;31.92,-5.95,;31.15,-7.27,;32.69,-7.27,;30.58,-5.18,;29.26,-5.96,;27.92,-5.19,;26.59,-5.96,;26.59,-7.51,;27.92,-8.28,;29.26,-7.51,;35.92,-5.13,;35.91,-3.59,;37.26,-5.89,;33.3,-9.77,;37.22,-10.5,;42.59,-5.97,;43.93,-5.22,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)|
NCc1ccc(CC(NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)cc1 |r|
NC(=N)c1ccc(CNC(=O)C(Cc2ccc(cc2)C#N)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
N[C@H](CC1CCCCC1)C(=O)NC(CCC1CCNCC1)C(=O)NCc1ccc(cc1)C(N)=N |r|
NC(=N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
NC(=N)c1ccc(CNC(=O)C(CC2CCNCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H](NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)C2CCNCC2)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@H](CC2CCCN2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
NC(=N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(cc1)C(N)=N |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
NC(=N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@@H](NCC(O)=O)C2CCCCC2)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H](CC2CCCN2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r|
CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N
COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CO
CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 |r|
CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc(cc3)C(N)=N)C(=O)NCc1c2 |r|
CC(C)(C)S(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)C(Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2
CC(C)S(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r|
CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r|
c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O
COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN
COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN
C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCCC1)C(O)=O |r|
Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C
C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
[H][C@]1(C)COC(=O)Nc2ccc(c(CN(C)C(=O)[C@]([H])(Nc3ccc4c(c3)c(F)c[nH]c4=N)c3ccc1c(C)c3)c2)C1(CC1)C(O)=O |r|
Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C
C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCOCC1)C(O)=O |r|
C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CC1)c1nnn[nH]1 |r|
COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r|
COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r|
C[C@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1 |r|
CN1Cc2cc(NC(=O)CCc3cc(ccc3OCC(F)F)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r|
C[C@@H]1CC(=O)Nc2ccc(c(c2)CN(C(=O)[C@@H](c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6
COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|