2364 SMILES Strings for Cholecystokinin receptor type A

Compound Name
SMILES String
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)ccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC[C@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(O)(=O)=O)cc2)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCC)[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)\C=C\c1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N\C(=C/c1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)c1ccc2cc(OS(O)(=O)=O)ccc2c1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1CC(C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O)OS(O)(=O)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC1CCN([C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(N)=O)[C@H]1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(O)(=O)=O)cc1 |r|
O=[#6](-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1cnc2ccccc2c1
[#6]-[#6]-[#6]-[#6]-[#6]\[#6](-[#6]-[#6]-[#6]-[#6]-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#7]-c1ccc(Cl)cc1
COc1ccc(cc1)C(=CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(OC)cc1 |(-1.65,1.86,;-.11,1.79,;.59,.41,;2.13,.34,;2.83,-1.01,;1.99,-2.31,;.47,-2.24,;-.23,-.89,;2.71,-3.67,;4.25,-3.74,;5.07,-2.45,;6.61,-2.46,;7.37,-3.79,;6.59,-5.12,;8.91,-3.8,;9.82,-2.55,;11.28,-3.04,;12.61,-2.29,;13.94,-3.06,;13.93,-4.6,;12.58,-5.35,;11.3,-4.7,;9.8,-5.05,;1.87,-4.97,;.33,-4.88,;-.51,-6.19,;.21,-7.57,;-.62,-8.87,;.1,-10.23,;1.76,-7.64,;2.59,-6.33,)|
O=C(NCCC=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1 |(21.68,-3.62,;22.45,-2.29,;21.7,-.96,;20.16,-.96,;19.4,.39,;17.86,.41,;17.1,1.74,;17.88,3.07,;17.13,4.4,;17.9,5.73,;19.44,5.72,;20.21,4.38,;19.42,3.05,;15.56,1.77,;14.82,3.1,;13.28,3.12,;12.49,1.79,;13.26,.44,;14.79,.44,;23.99,-2.31,;24.9,-1.07,;26.37,-1.55,;27.7,-.8,;29.01,-1.57,;29.01,-3.11,;27.67,-3.87,;26.37,-3.16,;24.88,-3.55,)|
Clc1ccc(cc1)C(=CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1 |(-.18,1.75,;.59,.41,;2.13,.34,;2.83,-1.01,;1.99,-2.31,;.47,-2.24,;-.23,-.89,;2.71,-3.67,;4.25,-3.74,;5.07,-2.45,;6.61,-2.46,;7.37,-3.79,;6.59,-5.12,;8.91,-3.8,;9.82,-2.55,;11.28,-3.04,;12.61,-2.29,;13.94,-3.06,;13.93,-4.6,;12.58,-5.35,;11.3,-4.7,;9.8,-5.05,;1.87,-4.97,;.33,-4.88,;-.51,-6.19,;.21,-7.57,;-.58,-8.9,;1.76,-7.64,;2.59,-6.33,)|
O=[#6](-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1ccnc2ccccc12
O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
Clc1ccc(-[#7]-[#6](=O)-[#7]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)cc1
Clc1ccc(NC(=O)NC\C=C\c2ccccc2)cc1
Clc1ccc(-[#7]-[#6](=O)-[#7]-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)cc1
O=[#6](-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1cc2cccc3-[#6]-[#6]-[#6]-n1c23
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
O=[#6](-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1ccc2ccccc2n1
CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5
O=[#6](-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1cccc2ccccc12
Clc1ccc(cc1)-[#6](=O)-[#7]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1
Clc1ccc(-[#7]-[#6](=O)-[#7]-[#6]\[#6]=[#6]-2\c3ccccc3-[#6]-[#6]-c3ccccc-23)cc1
O=C(NC\C=C\c1ccccc1)c1cc2ccccc2[nH]1
O=C(NCC=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1 |(6.59,-5.12,;7.37,-3.79,;6.61,-2.46,;5.07,-2.45,;4.25,-3.74,;2.71,-3.67,;1.99,-2.31,;.47,-2.24,;-.23,-.89,;.59,.41,;2.13,.34,;2.83,-1.01,;1.87,-4.97,;.33,-4.88,;-.51,-6.19,;.21,-7.57,;1.76,-7.64,;2.59,-6.33,;8.91,-3.8,;9.82,-2.55,;11.28,-3.04,;12.61,-2.29,;13.94,-3.06,;13.93,-4.6,;12.58,-5.35,;11.3,-4.7,;9.8,-5.05,)|
[#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)c1
Clc1ccc(cc1Cl)-[#6](=O)-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1
Clc1ccc(NC(=O)NCCN(c2ccccc2)c2ccccc2)cc1
O=[#6](-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1ccc2ccccc2c1
CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
COc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC\N=C(/S)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC\N=C(/S)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1Br)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cccc(C)c1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+]([O-])=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
COC(=O)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccccc1\N=C(\S)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1cccnc1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1
CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)cc1
CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C)cc1
CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1cccc2ccccc12
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)cc1
C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1)c1ccccc1
C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1)c1ccccc1
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc12
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1
CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2n1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc[nH]1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1cc2ccccc2[nH]1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ncccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccnc1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cc(O)ccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc2ccccc2n1
O=C(NCc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C)c1
CCCCCN(CCCCC)C(=O)C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1cnc2ccccc2c1
CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
CCOC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1)c1ccccc1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)c2ccccc2n1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C)c1
CCCCCN(CCCCC)C(=O)[C@@H](CC1C(=O)Nc2ccccc12)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C)cc1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)c(Cl)c1
CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)c(Cl)c1
CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1cc(O)c2cccc(O)c2n1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)S(=O)(=O)c1ccc(Cl)cc1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(F)ccc2[nH]1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)c2cccc(O)c2n1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2cn1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cccc(O)c2n1
CCOC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1)c1ccccc1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1nccc2ccccc12
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c(Sc2ccccc2[N+]([O-])=O)[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1c[nH]c2ccccc12
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCC[C@@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)CCc1ccc(cc1)-c1nnn[nH]1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@@H](NC(=O)[C@H](Cc1ccc(CCC(O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)C(Cc1cccc(CC(O)=O)c1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)CCc1ccc(CC(O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)C(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@@H](Cc1ccc(CC(O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1nnn[nH]1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)C(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)COC(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C |t:11|
CN1C(CNC(=O)Cc2cccc3sccc23)CN=C(c2ccccc2F)c2ccccc12 |t:20|
CN1C(CNC(=O)c2ccccc2F)CN=C(c2ccccc2F)c2ccccc12 |t:16|
Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)C(=O)Nc2ccccc12 |t:8|
Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)CNc2ccccc12 |t:8|
CN1C(CNC(=O)c2ccsc2)CNC(c2ccccc2F)c2ccccc12
Fc1ccccc1C1=NC(CNC(=O)c2ccsc2)C(=O)Nc2ccccc12 |t:8|
CN1C(CNC(=O)Cc2c[nH]c3ccccc23)CN=C(c2ccccc2F)c2ccccc12 |t:20|
Fc1ccccc1C1=NC(CNc2cnc(Cl)cn2)C(=O)Nc2ccccc12 |t:8|
Fc1ccccc1C1=NC(CNC(=O)c2ccsc2)CNc2ccccc12 |t:8|
CN1C(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:29|
COC(=O)CC(NCC1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 |t:10|
Fc1ccccc1C1=NC(CNCC2N=C(c3ccccc3F)c3ccccc3NC2=O)C(=O)Nc2ccccc12 |t:8,15|
CCN(CC)CNCC1CN=C(c2ccccc2F)c2ccccc2N1C |t:10|
Fc1ccccc1C1=NC(CNC(=O)c2cc3ccccc3[nH]2)CNc2ccccc12 |t:8|
CN1C(CNc2cccc(c2)C(F)(F)F)CN=C(c2ccccc2F)c2ccccc12 |t:17|
CN1C(CNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2F)c2ccccc12 |t:16|
Fc1ccccc1C1=NC(CNC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
CCN(CC)c1ccc(NCC2CN=C(c3ccccc3F)c3ccccc3N2C)cc1C(F)(F)F |t:13|
CN1C(CNC(=O)C(O)c2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:17|
OC(C(=O)NCC1CNc2ccccc2C(=N1)c1ccccc1F)c1ccccc1 |c:16|
CN1C(CN2C(=O)c3ccccc3C2=O)CN=C(c2ccccc2F)c2ccccc12 |t:18|
CN1C(CNC(=O)c2cccnc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
CN1C(CNC(=O)CSCNC(C)=O)CN=C(c2ccccc2F)c2ccccc12 |t:15|
CN1C(CNC(=O)C(CSCNC(C)=O)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:24|
CN1C(CNC(=O)C(N)Cc2c[nH]c3ccccc23)CN=C(c2ccccc2F)c2ccccc12 |t:22|
NCC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:3|
CN1C(CNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2F)c2ccccc12 |t:19|
COC(C(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C)(c1ccccc1)C(F)(F)F |t:9|
CN1C(CNC(=O)CCC(=O)OCc2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:21|
CN1[C@@H](CNC(=O)c2ccc(C)cc2)CN=C(c2ccc(F)cc2)c2ccc(C)cc12 |t:16|
CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
CN1[C@H](CNC(=O)c2ccc(C)cc2)CN=C(c2ccc(F)cc2)c2ccc(C)cc12 |t:16|
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
CCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)CC(NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CN)Cc1ccccc1
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc2ncccc2c1
CCCCCN(CCCCC)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc2ccccc2[nH]1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1c[nH]c2ccccc12
CCCCCN(CCCCC)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@@H](CCC(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@@H](CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1nnc2[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:18|
Cc1nnc2C(NC(=O)c3cc4ccccc4[nH]3)N=C(c3ccccc3F)c3ccccc3-n12 |t:20|
CN(C)Cc1nnc2[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:21|
Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc12 |t:8|
Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl
Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)c2nncn2-c2ccccc12 |t:8|
Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nnc(n2-c2ccccc12)C(Cl)(Cl)Cl |t:8|
Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3-n3cnnc23)cc1 |t:10|
O=C(NC1N=C(c2ccccc2)c2ccccc2-n2cnnc12)OCc1ccccc1 |t:4|
Cc1nnc2C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nncn2-c2ccccc12 |t:8|
Fc1ccccc1C1=NC(NC(=O)OCc2ccccc2)c2nncn2-c2ccccc12 |t:8|
Fc1ccccc1C1=NC(NC(=O)c2ccc(Cl)cc2)c2nncn2-c2ccccc12 |t:8|
OC(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1
C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1C2CC3CC(C2)CC1C3)C(O)=O |TLB:11:13:16.21:23.28,17:16:13.14:23.28,27:28:13.14:16.21,39:34:42:38.40.37,39:38:34.33.35:42,THB:37:36:33:38.39.40,37:38:33:36.35.42,32:33:42:38.40.37,20:21:13.14:23.28,29:14:16.21:23.28|
OC(=O)CNC(=O)[C@H]1CCCN1C(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1C2CC3CC(C2)CC1C3 |wD:7.6,TLB:12:14:17.22:24.29,18:17:14.15:24.29,28:29:14.15:17.22,43:42:40:37.36.38,THB:33:34:40:37.36.38,21:22:14.15:24.29,43:37:42.34.41:40,30:15:17.22:24.29,38:37:34:39.41.40,38:39:34:37.36.43,(13.98,-15.3,;13.5,-14,;12.11,-13.76,;14.76,-13.36,;14.85,-11.96,;13.6,-11.16,;12.19,-11.54,;14.04,-9.97,;15.73,-9.44,;15.74,-7.68,;14.07,-7.13,;13.01,-8.56,;11.26,-8.56,;11.34,-10.08,;10.02,-7.3,;11.26,-6.86,;8.91,-6.8,;8.58,-8.59,;9.29,-9.79,;8.65,-11.26,;7.1,-11.29,;6.3,-9.97,;7.04,-8.62,;7.45,-7.24,;6.34,-5.52,;5.63,-4.08,;6.53,-2.75,;8.14,-2.85,;8.84,-4.31,;7.95,-5.63,;12.08,-4.9,;11.4,-3.73,;13.62,-4.9,;14.33,-3.88,;15.59,-3.99,;16.11,-5.13,;17.35,-5.25,;18.08,-4.23,;18.95,-5.19,;17.99,-5.25,;17.26,-6.13,;17.17,-3.84,;16.29,-2.96,;17.55,-3.08,)|
OC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:32:31:29:26.25.27,1:3:13.18:6.11,7:6:4.3:13.18,17:18:4.3:6.11,THB:32:26:31.23.30:29,27:26:23:28.30.29,27:28:23:26.25.32,19:4:13.18:6.11,10:11:4.3:13.18,22:23:29:26.25.27|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
OC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1CCCCC1 |TLB:7:6:4.3:18.13,19:4:11.6:18.13,17:18:4.3:11.6,THB:14:13:4.3:11.6,1:3:11.6:18.13,(12.26,-8.55,;11.1,-8.64,;11.17,-10.15,;9.86,-7.39,;11.1,-6.95,;8.77,-6.89,;7.8,-5.73,;8.7,-4.42,;8,-2.97,;6.4,-2.88,;5.52,-4.19,;6.22,-5.62,;7.32,-7.33,;6.89,-8.7,;6.17,-10.03,;6.95,-11.34,;8.49,-11.31,;9.13,-9.86,;8.43,-8.67,;11.89,-5.01,;11.24,-3.84,;13.43,-5.01,;14.15,-3.99,;15.38,-4.11,;16.09,-3.08,;17.34,-3.21,;17.87,-4.34,;17.14,-5.36,;15.9,-5.24,)|
OC(=O)[C@H]1CCCN1C(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1C2CC3CC(C2)CC1C3 |wD:3.2,TLB:8:10:13.18:20.25,24:25:10.11:13.18,39:38:36:33.32.34,14:13:10.11:20.25,THB:29:30:36:33.32.34,39:33:38.30.37:36,26:11:13.18:20.25,34:33:30:35.37.36,34:35:30:33.32.39,17:18:10.11:20.25,(14.83,-11.94,;13.58,-11.14,;12.18,-11.52,;14.02,-9.95,;15.71,-9.43,;15.72,-7.67,;14.05,-7.12,;13,-8.55,;11.24,-8.55,;11.33,-10.07,;10,-7.29,;11.24,-6.85,;8.9,-6.8,;8.57,-8.58,;9.28,-9.78,;8.64,-11.24,;7.09,-11.27,;6.29,-9.95,;7.03,-8.61,;7.44,-7.23,;6.33,-5.51,;5.63,-4.08,;6.52,-2.75,;8.13,-2.85,;8.83,-4.3,;7.94,-5.63,;12.06,-4.89,;11.39,-3.72,;13.6,-4.89,;14.31,-3.87,;15.57,-3.99,;16.09,-5.13,;17.32,-5.25,;18.06,-4.22,;18.92,-5.19,;17.97,-5.25,;17.24,-6.12,;17.15,-3.83,;16.27,-2.95,;17.53,-3.08,)|
COC(=O)[C@H](C)NC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1C2CC3CC(C2)CC1C3 |wU:4.4,TLB:13:12:9.10:24.19,28:29:31:34.35.33,25:10:24.19:12.17,23:24:9.10:12.17,THB:7:9:24.19:12.17,36:37:31:34.35.33,36:34:31:37.29.38,33:32:29:34.36.35,33:34:29:32.31.38,20:19:9.10:12.17,(14.3,-12.23,;14.44,-10.47,;13.2,-9.64,;11.76,-10.03,;13.64,-8.46,;15.03,-8.25,;12.75,-7.37,;10.99,-7.37,;11.06,-8.91,;9.73,-6.11,;10.99,-5.67,;8.63,-5.61,;7.64,-4.43,;8.55,-3.09,;7.85,-1.63,;6.23,-1.53,;5.31,-2.87,;6.04,-4.31,;7.16,-6.05,;6.73,-7.43,;5.99,-8.79,;6.78,-10.11,;8.35,-10.08,;8.99,-8.61,;8.29,-7.4,;11.79,-3.69,;11.13,-2.51,;13.35,-3.69,;14.08,-2.66,;15.33,-2.78,;15.86,-3.93,;17.03,-4.93,;17.76,-4.05,;18.71,-3.99,;17.85,-3.01,;17.11,-4.05,;17.32,-1.87,;16.05,-1.74,;16.94,-2.62,)|
OC(=O)CNC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:36:35:33:30.29.31,5:7:17.22:10.15,21:22:8.7:10.15,11:10:8.7:17.22,THB:36:30:35.27.34:33,23:8:17.22:10.15,31:30:27:32.34.33,31:32:27:30.29.36,14:15:8.7:17.22,26:27:33:30.29.31,(14.7,-11.84,;13.45,-11.02,;12.02,-11.4,;13.89,-9.84,;13.01,-8.75,;11.24,-8.75,;11.31,-10.28,;9.99,-7.49,;11.24,-7.04,;8.89,-6.99,;8.55,-8.78,;9.25,-9.99,;8.61,-11.46,;7.04,-11.49,;6.25,-10.17,;6.99,-8.81,;7.42,-7.43,;6.3,-5.69,;5.59,-4.25,;6.49,-2.91,;8.1,-3.01,;8.81,-4.47,;7.9,-5.81,;12.05,-5.07,;11.39,-3.9,;13.61,-5.07,;14.34,-4.04,;15.58,-4.16,;16.11,-5.31,;17.37,-5.43,;18.1,-4.4,;18.97,-5.37,;18.01,-5.43,;17.28,-6.31,;17.19,-4,;16.31,-3.12,;17.57,-3.25,)|
COC(=O)CNC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:37:36:34:31.30.32,6:8:18.23:11.16,22:23:9.8:11.16,12:11:9.8:18.23,THB:37:31:36.28.35:34,24:9:18.23:11.16,32:31:28:33.35.34,32:33:28:31.30.37,15:16:9.8:18.23,27:28:34:31.30.32|
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 |wD:10.10,TLB:25:24:21.22:36.31,35:36:21.22:29.24,48:43:50:47.49.46,48:47:50:43.42.44,THB:46:45:42:47.49.48,46:47:42:45.50.44,19:21:29.24:36.31,32:31:21.22:29.24,37:22:29.24:36.31,(19.95,-12,;19.95,-10.45,;21.3,-9.68,;18.62,-9.68,;17.28,-10.45,;15.96,-9.68,;15.96,-8.13,;14.64,-7.36,;13.09,-7.36,;12.69,-5.86,;12,-8.45,;12.4,-9.96,;13.74,-10.73,;13.7,-12.25,;15.05,-13.03,;16.38,-12.28,;16.38,-10.73,;15.06,-9.97,;10.51,-8.07,;9.02,-7.67,;9.48,-6.13,;4.42,-8.45,;5.42,-7.44,;5.42,-9.29,;3.14,-9.86,;1.45,-9.57,;-.18,-10.22,;-.52,-11.26,;1.01,-11.76,;2.56,-11.16,;4.45,-10.6,;6.68,-11.09,;7.83,-12.42,;9.79,-12.42,;10.45,-11.16,;9.18,-9.9,;7.39,-9.9,;6.07,-6.29,;5.12,-5.39,;7.2,-5.64,;7.16,-4.33,;8.29,-3.65,;9.16,-4.75,;10.35,-4.26,;10.35,-2.91,;9.48,-1.88,;10.63,-2.27,;10.61,-3.54,;11.63,-4.62,;9.48,-3.96,;8.29,-2.36,;17.28,-7.36,;18.62,-8.13,)|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)C1C(C4c5ccccc5C1c1ccccc41)C(=O)N1CCC[C@@H]1C(=O)NCC(O)=O)(C2)C3 |wU:37.43,1.0,wD:3.3,6.6,TLB:22:23:16.15:25.30,26:25:16.15:23.18,8:1:46:6.9.5,8:6:46:1.45.2,THB:31:16:25.30:23.18,29:30:16.15:23.18,13:15:25.30:23.18,2:3:9:1.45.8,2:1:9:3.46.5,(21.82,-5.54,;20.54,-6.03,;21.6,-7.15,;20.28,-6.78,;20.53,-7.98,;20.28,-5.37,;19.37,-4.3,;19.34,-2.95,;20.57,-4.7,;18.13,-4.8,;18.13,-6.14,;16.96,-6.84,;16.99,-8.21,;15.82,-8.89,;14.84,-7.95,;15.15,-10.08,;14.11,-11.13,;14.13,-13.36,;12.17,-13.95,;10.56,-14.57,;8.98,-14.05,;9.32,-12.97,;11.02,-12.29,;12.77,-12.59,;15.15,-12,;17.19,-12.64,;19.06,-12.64,;20.38,-13.95,;19.7,-15.25,;17.65,-15.25,;16.46,-13.88,;18.89,-10.32,;19.37,-8.72,;20.44,-10.73,;21.01,-12.2,;22.62,-12.14,;23.04,-10.58,;21.68,-9.71,;23.08,-8.89,;23.06,-7.28,;24.46,-9.69,;25.43,-8.74,;26.74,-9.09,;28.08,-7.88,;27.08,-10.42,;19.37,-6.46,;19.04,-7.28,)|
OC(=O)c1cc(NC(=O)[C@@H]2CCCN2C(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wD:9.8,TLB:14:16:19.24:31.26,43:38:45:42.44.41,43:42:45:38.37.39,30:31:16.17:19.24,32:17:19.24:31.26,20:19:16.17:31.26,THB:41:42:37:40.45.39,41:40:37:42.44.43,23:24:16.17:31.26,(21.09,-9.48,;21.07,-7.94,;22.4,-7.17,;19.74,-7.19,;18.4,-7.97,;17.08,-7.2,;15.74,-7.99,;14.41,-7.23,;14.39,-5.69,;13.07,-8.02,;14.38,-8.86,;13.97,-10.35,;12.43,-10.41,;11.89,-9,;10.4,-8.6,;10.86,-7.07,;5.82,-9.38,;6.82,-8.38,;6.82,-10.22,;8.77,-10.83,;10.56,-10.83,;11.82,-12.08,;11.17,-13.33,;9.21,-13.33,;8.07,-12.02,;5.84,-11.52,;3.96,-12.08,;2.42,-12.68,;.9,-12.18,;1.23,-11.15,;2.86,-10.5,;4.54,-10.76,;7.46,-7.23,;6.52,-6.33,;8.58,-6.58,;8.55,-5.27,;9.67,-4.6,;10.54,-5.69,;11.73,-5.21,;11.73,-3.86,;10.86,-2.84,;12,-3.22,;11.98,-4.49,;13,-5.56,;10.86,-4.91,;9.67,-3.32,;17.06,-5.68,;18.37,-4.89,;19.72,-5.65,;18.34,-3.35,;19.68,-2.57,;16.99,-2.6,)|
OC(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |wD:12.13,TLB:50:45:52:49.51.48,50:49:52:45.44.46,21:23:33.38:26.31,27:26:23.24:33.38,37:38:23.24:26.31,39:24:33.38:26.31,46:47:51:45.44.50,THB:30:31:23.24:33.38,46:45:51:47.52.48,(15.95,-5.04,;17.28,-5.81,;18.63,-5.04,;17.28,-7.36,;18.62,-8.13,;18.62,-9.68,;17.28,-10.45,;15.96,-9.68,;15.96,-8.13,;14.64,-7.36,;13.09,-7.36,;12.69,-5.86,;12,-8.45,;12.4,-9.96,;13.74,-10.73,;13.7,-12.25,;15.05,-13.03,;16.38,-12.28,;16.38,-10.73,;15.06,-9.97,;10.51,-8.07,;9.02,-7.67,;9.48,-6.13,;4.42,-8.45,;5.42,-7.44,;5.42,-9.29,;7.39,-9.9,;9.18,-9.9,;10.45,-11.16,;9.79,-12.42,;7.83,-12.42,;6.68,-11.09,;4.45,-10.6,;2.56,-11.16,;1.01,-11.76,;-.52,-11.26,;-.18,-10.22,;1.45,-9.57,;3.14,-9.86,;6.07,-6.29,;5.12,-5.39,;7.2,-5.64,;7.16,-4.33,;8.29,-3.65,;9.48,-3.96,;10.61,-3.54,;11.63,-4.62,;10.35,-4.26,;10.35,-2.91,;9.48,-1.88,;10.63,-2.27,;8.29,-2.36,;9.16,-4.75,)|
OC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |wU:7.7,TLB:44:45:49:43.42.48,48:43:50:47.49.46,48:47:50:43.42.44,19:21:31.36:24.29,35:36:21.22:24.29,25:24:21.22:31.36,37:22:31.36:24.29,THB:44:43:49:45.50.46,28:29:21.22:31.36,(21.47,-9.63,;20.13,-8.86,;18.78,-9.63,;20.13,-7.32,;18.81,-6.54,;17.48,-7.34,;17.48,-8.88,;16.14,-6.57,;16.14,-5.02,;17.22,-3.93,;16.96,-2.39,;18.32,-1.68,;19.42,-2.78,;20.95,-2.68,;21.8,-3.97,;21.11,-5.35,;19.57,-5.44,;18.73,-4.15,;14.82,-7.35,;13.33,-6.95,;13.79,-5.42,;8.73,-7.74,;9.73,-6.73,;9.73,-8.57,;11.69,-9.18,;13.49,-9.18,;14.75,-10.44,;14.1,-11.69,;12.13,-11.69,;10.99,-10.37,;8.75,-9.88,;6.87,-10.44,;5.32,-11.04,;3.8,-10.54,;4.13,-9.51,;5.76,-8.85,;7.45,-9.14,;10.37,-5.58,;9.43,-4.68,;11.5,-4.92,;11.47,-3.62,;12.6,-2.94,;13.79,-3.25,;14.91,-2.83,;15.93,-3.91,;14.66,-3.55,;14.66,-2.2,;13.79,-1.17,;14.93,-1.56,;12.6,-1.65,;13.46,-4.03,)|
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OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1C(O)=O |wD:10.10,TLB:19:21:31.36:24.29,48:47:50:43.42.44,48:43:50:47.49.46,35:36:21.22:24.29,25:24:21.22:31.36,37:22:31.36:24.29,THB:46:47:42:45.50.44,46:45:42:47.49.48,28:29:21.22:31.36,(21.3,-9.68,;19.95,-10.45,;19.95,-12,;18.62,-9.68,;17.28,-10.45,;15.96,-9.68,;15.96,-8.13,;14.64,-7.36,;13.09,-7.36,;12.69,-5.86,;12,-8.45,;12.4,-9.96,;13.74,-10.73,;15.06,-9.97,;16.38,-10.73,;16.38,-12.28,;15.05,-13.03,;13.7,-12.25,;10.51,-8.07,;9.02,-7.67,;9.48,-6.13,;4.42,-8.45,;5.42,-7.44,;5.42,-9.29,;7.39,-9.9,;9.18,-9.9,;10.45,-11.16,;9.79,-12.42,;7.83,-12.42,;6.68,-11.09,;4.45,-10.6,;2.56,-11.16,;1.01,-11.76,;-.52,-11.26,;-.18,-10.22,;1.45,-9.57,;3.14,-9.86,;6.07,-6.29,;5.12,-5.39,;7.2,-5.64,;7.16,-4.33,;8.29,-3.65,;9.16,-4.75,;10.35,-4.26,;10.35,-2.91,;9.48,-1.88,;10.63,-2.27,;10.61,-3.54,;11.63,-4.62,;9.48,-3.96,;8.29,-2.36,;17.28,-7.36,;18.62,-8.13,;19.95,-7.36,;21.3,-8.13,;19.95,-5.81,)|
OC(=O)c1cc(NC(=O)[C@@H](Cc2cccc(F)c2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:19:21:31.36:24.29,44:45:49:43.42.48,37:22:31.36:24.29,25:24:21.22:31.36,35:36:21.22:24.29,THB:44:43:49:45.50.46,46:47:42:45.50.44,46:45:42:47.49.48,28:29:21.22:31.36,(10.91,-6.64,;11.62,-5.09,;13.17,-5.09,;10.87,-3.76,;9.52,-2.99,;9.54,-1.43,;8.19,-.66,;6.64,-.66,;6.25,.84,;5.56,-1.76,;5.96,-3.27,;7.05,-4.34,;8.52,-3.96,;9.61,-5.02,;9.2,-6.53,;7.71,-6.92,;7.32,-8.42,;6.64,-5.83,;4.05,-1.37,;2.57,-.97,;3.02,.57,;-2.06,-1.76,;-1.03,-.74,;-1.06,-2.6,;.92,-3.21,;2.73,-3.21,;4.01,-4.47,;3.34,-5.74,;1.37,-5.74,;.2,-4.41,;-2.03,-3.91,;-3.93,-4.47,;-5.47,-5.08,;-7.01,-4.57,;-6.68,-3.54,;-5.03,-2.88,;-3.33,-3.17,;-.41,.41,;-1.35,1.32,;.72,1.07,;.71,2.38,;1.84,3.06,;1.82,4.36,;3.02,4.84,;4.18,4.45,;4.17,3.17,;5.19,2.09,;3.89,2.45,;3.91,3.81,;2.72,1.96,;3.04,2.75,;10.87,-.66,;12.2,-1.43,;12.2,-2.99,;13.55,-.66,;14.89,-1.43,;13.53,.89,)|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCCc2c[nH]c3ccccc23)cc(c1)C(O)=O |wD:9.9,TLB:18:20:30.35:23.28,34:35:20.21:23.28,24:23:20.21:30.35,36:21:30.35:23.28,THB:27:28:20.21:30.35,(14.13,-15.15,;14.84,-13.6,;16.39,-13.6,;14.09,-12.26,;12.74,-11.48,;12.76,-9.95,;11.42,-9.18,;9.87,-9.18,;9.48,-7.67,;8.79,-10.27,;9.19,-11.77,;10.51,-12.55,;10.5,-14.09,;11.84,-14.86,;13.16,-14.1,;13.16,-12.55,;11.84,-11.77,;7.28,-9.87,;5.79,-9.48,;6.25,-7.93,;1.17,-10.27,;2.2,-9.25,;2.18,-11.11,;4.15,-11.71,;5.96,-11.71,;7.24,-12.99,;6.57,-14.23,;4.6,-14.23,;3.44,-12.92,;1.21,-12.42,;-.7,-12.99,;-2.23,-13.58,;-3.77,-13.09,;-3.45,-12.05,;-1.8,-11.38,;-.1,-11.67,;2.82,-8.11,;1.88,-7.18,;3.95,-7.44,;3.94,-6.12,;5.07,-5.46,;5.05,-4.15,;6.11,-3.39,;5.7,-2.14,;4.39,-2.16,;3.52,-1.21,;2.24,-1.49,;1.85,-2.72,;2.72,-3.68,;3.98,-3.4,;14.09,-9.18,;15.42,-9.95,;15.42,-11.48,;16.77,-9.15,;18.1,-9.93,;16.75,-7.6,)|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCc2cccc3ccccc23)cc(c1)C(O)=O |wD:9.9,TLB:24:23:20.21:30.35,18:20:30.35:23.28,34:35:20.21:23.28,36:21:30.35:23.28,THB:27:28:20.21:30.35,(18.12,-9.94,;16.79,-9.16,;16.76,-7.61,;15.44,-9.96,;14.1,-9.19,;12.78,-9.96,;11.43,-9.19,;9.88,-9.19,;9.49,-7.68,;8.8,-10.28,;9.2,-11.78,;10.52,-12.56,;10.51,-14.1,;11.85,-14.88,;13.17,-14.11,;13.17,-12.56,;11.85,-11.78,;7.29,-9.88,;5.8,-9.49,;6.25,-7.93,;1.18,-10.28,;2.2,-9.26,;2.18,-11.13,;4.15,-11.72,;5.96,-11.72,;7.24,-13,;6.58,-14.24,;4.6,-14.24,;3.44,-12.94,;1.21,-12.43,;-.7,-13,;-2.23,-13.59,;-3.77,-13.1,;-3.45,-12.06,;-1.8,-11.4,;-.1,-11.69,;2.82,-8.12,;1.89,-7.19,;3.96,-7.45,;3.95,-6.12,;5.08,-5.47,;6.21,-6.12,;7.34,-5.47,;7.34,-4.15,;6.19,-3.5,;6.19,-2.21,;5.06,-1.56,;3.92,-2.23,;3.95,-3.53,;5.06,-4.15,;12.75,-11.49,;14.1,-12.27,;15.44,-11.49,;14.86,-13.62,;14.14,-15.17,;16.41,-13.62,)|
OC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:35:36:21.22:29.24,48:43:50:47.49.46,48:47:50:43.42.44,25:24:21.22:36.31,THB:19:21:29.24:36.31,46:45:42:47.49.48,46:47:42:45.50.44,37:22:29.24:36.31,32:31:21.22:29.24,(10.91,-6.64,;11.62,-5.09,;13.17,-5.09,;10.87,-3.76,;9.52,-2.99,;9.54,-1.43,;8.19,-.66,;6.64,-.66,;6.25,.84,;5.56,-1.76,;5.96,-3.27,;7.05,-4.34,;6.64,-5.83,;7.71,-6.92,;9.2,-6.53,;9.61,-5.02,;8.52,-3.96,;8.39,-2.37,;4.05,-1.37,;2.57,-.97,;3.02,.57,;-2.06,-1.76,;-1.03,-.74,;-1.06,-2.6,;-3.33,-3.17,;-5.03,-2.88,;-6.68,-3.54,;-7.01,-4.57,;-5.47,-5.08,;-3.93,-4.47,;-2.03,-3.91,;.2,-4.41,;1.37,-5.74,;3.34,-5.74,;4.01,-4.47,;2.73,-3.21,;.92,-3.21,;-.41,.41,;-1.35,1.32,;.72,1.07,;.71,2.38,;1.84,3.06,;2.72,1.96,;3.89,2.45,;3.91,3.81,;3.02,4.84,;4.18,4.45,;4.17,3.17,;5.19,2.09,;3.04,2.75,;1.82,4.36,;10.87,-.66,;12.2,-1.43,;12.2,-2.99,;13.55,-.66,;14.89,-1.43,;13.53,.89,)|
OC(=O)c1cc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:19:21:31.36:24.29,44:45:49:43.42.48,48:43:50:47.49.46,48:47:50:43.42.44,37:22:31.36:24.29,25:24:21.22:31.36,35:36:21.22:24.29,THB:44:43:49:45.50.46,28:29:21.22:31.36,(14.89,-1.43,;13.55,-.66,;13.53,.89,;12.2,-1.43,;10.87,-.66,;9.54,-1.43,;8.19,-.66,;6.64,-.66,;6.25,.84,;5.56,-1.76,;5.96,-3.27,;7.05,-4.34,;6.64,-5.83,;7.71,-6.92,;9.2,-6.53,;10.3,-7.61,;9.61,-5.02,;8.52,-3.96,;4.05,-1.37,;2.57,-.97,;3.02,.57,;-2.06,-1.76,;-1.03,-.74,;-1.06,-2.6,;.92,-3.21,;2.73,-3.21,;4.01,-4.47,;3.34,-5.74,;1.37,-5.74,;.2,-4.41,;-2.03,-3.91,;-3.93,-4.47,;-5.47,-5.08,;-7.01,-4.57,;-6.68,-3.54,;-5.03,-2.88,;-3.33,-3.17,;-.41,.41,;-1.35,1.32,;.72,1.07,;.71,2.38,;1.84,3.06,;3.04,2.75,;4.17,3.17,;5.19,2.09,;3.89,2.45,;3.91,3.81,;3.02,4.84,;4.18,4.45,;1.82,4.36,;2.72,1.96,;9.52,-2.99,;10.87,-3.76,;12.2,-2.99,;11.62,-5.09,;10.91,-6.64,;13.17,-5.09,)|
OC(=O)c1cc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:19:21:31.36:24.29,44:45:49:43.42.48,48:43:50:47.49.46,48:47:50:43.42.44,37:22:31.36:24.29,25:24:21.22:31.36,35:36:21.22:24.29,THB:44:43:49:45.50.46,28:29:21.22:31.36,(19.63,-7.77,;18.28,-7,;18.28,-5.44,;16.94,-7.79,;15.59,-7.01,;14.26,-7.77,;12.94,-7,;11.38,-7.01,;10.98,-5.49,;10.28,-8.1,;10.69,-9.6,;11.77,-10.69,;13.25,-10.3,;14.33,-11.38,;13.94,-12.87,;15.04,-13.97,;12.45,-13.26,;11.37,-12.18,;8.79,-7.71,;7.29,-7.3,;7.75,-5.77,;2.67,-8.1,;3.67,-7.07,;3.67,-8.95,;5.65,-9.56,;7.45,-9.56,;8.72,-10.82,;8.07,-12.08,;6.09,-12.08,;4.93,-10.77,;2.69,-10.25,;.79,-10.83,;-.77,-11.41,;-2.3,-10.93,;-1.97,-9.88,;-.32,-9.21,;1.37,-9.5,;4.32,-5.93,;3.37,-5.02,;5.45,-5.26,;5.42,-3.95,;6.55,-3.28,;7.75,-3.57,;8.89,-3.15,;9.91,-4.25,;8.63,-3.89,;8.63,-2.53,;7.75,-1.49,;8.91,-1.89,;6.55,-1.98,;7.43,-4.37,;14.26,-9.33,;15.59,-10.11,;16.94,-9.34,;16.36,-11.44,;15.65,-13,;17.91,-11.45,)|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:41:36:43:40.42.39,41:40:43:36.35.37,THB:39:38:35:40.42.41,39:40:35:38.43.37|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:36:37:41:35.34.40,THB:36:35:41:37.42.38,38:37:34:39.41.40,38:39:34:37.42.36|
OC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:30:29:32:25.24.26,30:25:32:29.31.28,17:18:4.3:11.6,7:6:4.3:18.13,10:11:4.3:18.13,THB:28:27:24:29.31.30,28:29:24:27.32.26,19:4:11.6:18.13,1:3:11.6:18.13,14:13:4.3:11.6,(5.18,-3.21,;3.53,-3.21,;3.95,-1.61,;1.88,-3.21,;2.73,-2.3,;2.73,-3.37,;.97,-4.32,;.25,-3.1,;-1.24,-3.18,;-2.04,-4.47,;-1.32,-5.68,;.18,-5.59,;1.9,-4.55,;3.55,-5.37,;4.17,-6.57,;5.62,-6.58,;6.44,-5.37,;5.82,-4.15,;4.38,-4.17,;3.35,-.77,;2.33,.52,;4.98,-.55,;6.15,.62,;7.8,.62,;7.85,2.25,;9.4,2.8,;10.26,1.52,;10.26,.02,;11.99,-.71,;11.01,.64,;11.05,2.26,;9.42,.04,;8.77,-.55,)|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:41:40:43:36.35.37,41:36:43:40.42.39,THB:39:38:35:40.42.41,39:40:35:38.43.37|
OC(=O)[C@H]1CCCN1C(=O)c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:31:30:33:26.25.27,31:26:33:30.32.29,THB:29:28:25:30.32.31,29:30:25:28.33.27|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:40:35:42:39.41.38,40:39:42:35.34.36,THB:38:37:34:39.41.40,38:39:34:37.42.36|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:37:38:42:36.35.41,41:36:43:40.42.39,41:40:43:36.35.37,THB:37:36:42:38.43.39|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC2CCCCCC2)cc(c1)C(O)=O
O=C(Nc1cc(cc(c1)-c1nn[nH]n1)-c1nn[nH]n1)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:46:47:51:45.44.50,50:49:52:45.44.46,50:45:52:49.51.48,THB:46:45:51:47.52.48|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC2CCCCCC2)cc(c1)C(O)=O
OC(=O)[C@H]1CCCN1C(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |wD:3.2,TLB:8:10:13.18:25.20,24:25:10.11:13.18,21:20:10.11:13.18,37:36:39:32.31.33,37:32:39:36.38.35,26:11:13.18:25.20,14:13:10.11:25.20,THB:35:36:31:34.39.33,35:34:31:36.38.37,17:18:10.11:25.20,(9.17,-4.52,;7.61,-4.52,;7.6,-6.09,;6.26,-3.73,;7.42,-2.7,;6.78,-1.26,;5.24,-1.43,;4.91,-2.96,;3.35,-2.96,;3.75,-1.44,;1.78,-2.96,;2.59,-2.09,;2.59,-3.11,;4.15,-3.87,;5.52,-3.84,;6.11,-5,;5.33,-6.16,;3.95,-6.14,;3.37,-5,;1.8,-4.22,;.17,-5.22,;-1.25,-5.3,;-1.93,-4.15,;-1.18,-2.94,;.24,-2.85,;.92,-4.01,;3.18,-.65,;2.21,.58,;4.72,-.43,;5.83,.68,;7.4,.68,;7.44,2.22,;8.91,2.74,;9.73,1.53,;9.73,.09,;11.37,-.59,;10.44,.69,;10.48,2.23,;8.94,.12,;8.32,-.43,)|
O=C(Nc1cc(cc(c1)-c1nn[nH]n1)-c1nn[nH]n1)[C@H](Cc1ccccc1)NC(=O)c1cc2cc[nH]c2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:46:47:51:45.44.50,50:49:52:45.44.46,50:45:52:49.51.48,THB:46:45:51:47.52.48|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccoc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:36:37:41:35.34.40,THB:36:35:41:37.42.38,38:37:34:39.41.40,38:39:34:37.42.36|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:41:40:43:36.35.37,41:36:43:40.42.39,THB:39:38:35:40.42.41,39:40:35:38.43.37|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]ccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:36:37:41:35.34.40,40:39:42:35.34.36,40:35:42:39.41.38,THB:36:35:41:37.42.38|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wD:9.9,TLB:44:45:49:43.42.48,37:22:29.24:36.31,28:29:22.21:36.31,35:36:22.21:29.24,25:24:22.21:36.31,THB:20:21:29.24:36.31,44:43:49:45.50.46,46:45:42:47.49.48,46:47:42:45.50.44,32:31:22.21:29.24,(8.01,-6.63,;9.37,-5.87,;10.71,-6.64,;9.37,-4.31,;8.05,-3.54,;8.05,-1.98,;6.95,-.88,;5.47,-.48,;5.23,1.05,;4.2,-1.35,;4.05,-2.9,;5.21,-3.96,;6.55,-3.18,;7.89,-3.96,;7.89,-5.51,;6.52,-6.29,;5.21,-5.51,;2.83,-.57,;1.51,-1.35,;1.51,-2.9,;1.18,-1.33,;-.3,-.93,;.88,-.85,;.17,-1.58,;-1.64,-1.11,;-1.36,.19,;-2.44,1.1,;-3.8,.71,;-4.09,-.59,;-3,-1.49,;-1.14,-1.86,;-.53,-3.49,;-.89,-4.71,;.13,-5.65,;1.47,-5.34,;1.8,-4.1,;.81,-3.2,;1.28,.65,;.76,2.13,;2.78,.35,;3.8,1.53,;5.02,2.46,;6.24,1.69,;7.4,2.63,;9.16,2.49,;7.89,3.4,;7.47,4.87,;5.82,4.86,;6.97,3.98,;4.6,3.92,;6.64,2.4,;9.39,-1.21,;10.74,-1.98,;10.74,-3.54,;12.08,-1.22,;12.1,.33,;13.42,-2.01,)|
OC(=O)c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.18.24,24:19:26:23.25.22,24:23:26:19.18.20,THB:20:19:25:21.26.22|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccsc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:36:37:41:35.34.40,THB:36:35:41:37.42.38,38:37:34:39.41.40,38:39:34:37.42.36|
Fc1ccccc1C[C@H](NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC1CCCCCC1)C(=O)Nc1cc(cc(c1)-c1nn[nH]n1)-c1nn[nH]n1
CSc1cccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)c1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccc(OCCCC(O)=O)cc4)C1=O)(C2)C3 |TLB:8:1:49:6.9.5,8:6:49:1.48.2,THB:2:3:9:1.48.8,2:1:9:3.49.5|
O=C(NC1C(=O)N(C2CC3CCC2C3)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1 |TLB:6:7:13:11.10|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(NC(O)C(C)O)c4)C1=O)(C2)C3 |TLB:5:3:47:6.9.8,8:1:48:6.9.5,8:6:48:1.47.2,THB:5:6:47:3.48.2|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(O)c4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(N)c4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5|
O=C(NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(Br)c4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5|
CC(C)CCN1c2ccccc2N(c2ccccc2F)C(=O)C(NC(=O)Nc2cccc(c2)N(C)C)C1=O
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)C(=O)OCCN4CCOCC4)C1=O)(C2)C3 |TLB:5:3:52:6.9.8,THB:2:3:9:1.52.8,2:1:9:3.53.5,5:6:52:3.53.2|
CC(C)(C)CCN1c2ccccc2N(c2ccccc2F)C(=O)C(NC(=O)Nc2ccccc2)C1=O
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)N(C)C)C1=O)(C2)C3 |TLB:8:1:45:6.9.5,8:6:45:1.44.2,THB:2:3:9:1.44.8,2:1:9:3.45.5|
Clc1cccc(NC(=O)NC2C(=O)N(C3CC4CCC3C4)c3ccccc3N(c3ccccc3)C2=O)c1 |TLB:13:14:20:18.17|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CCN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)N(C)C)C1=O)(C2)C3 |TLB:8:1:46:6.9.5,8:6:46:1.45.2,THB:2:3:9:1.45.8,2:1:9:3.46.5|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccccc4)C1=O)(C2)C3 |TLB:8:1:42:6.9.5,8:6:42:1.41.2,THB:2:3:9:1.41.8,2:1:9:3.42.5|
CC(C)CCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)(C)CCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(OC(F)(F)F)c2)C1=O
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)|
CC(C)(C)CCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)N(C)C)C1=O)[C@@]([H])(C2)C3 |wU:3.3,43.48,wD:1.0,6.6,TLB:10:9:5:1.8.2,THB:10:9:1.8.45:3.46.5,45:43:5:1.8.2,45:1:9.43.46:5,2:3:9:1.8.45,2:1:9:3.46.5,(12.5,-.13,;11.22,-.95,;10.02,-.03,;8.72,-.77,;7.54,.18,;8.29,-2.13,;9.48,-3.02,;8.17,-3.79,;10.65,-2.27,;9.75,-4.71,;8.71,-5.83,;9.15,-7.29,;8.18,-8.23,;6.84,-7.45,;5.51,-8.23,;5.51,-9.77,;6.84,-10.55,;8.18,-9.79,;9.12,-10.69,;8.65,-12.15,;9.7,-13.29,;9.25,-14.75,;7.73,-15.09,;6.68,-13.96,;7.16,-12.49,;10.61,-10.43,;11.53,-11.69,;11.34,-9.02,;12.88,-9.06,;13.63,-10.4,;12.84,-11.72,;15.17,-10.42,;15.92,-11.77,;15.14,-13.07,;15.87,-14.43,;17.42,-14.46,;18.21,-13.12,;17.45,-11.77,;19.73,-13.13,;20.47,-14.47,;20.5,-11.83,;10.65,-7.56,;11.6,-6.35,;10.33,-3.28,;11.48,-4.27,;11.61,-2.52,;9.07,-2.33,)|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CCN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccccc4)C1=O)(C2)C3 |TLB:8:6:43:1.42.2,8:1:43:6.9.5,THB:2:3:9:1.42.8,2:1:9:3.43.5|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(C)c4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccc(OCCCC(=O)OCC)cc4)C1=O)(C2)C3 |TLB:8:1:51:6.9.5,8:6:51:1.50.2,THB:2:3:9:1.50.8,2:1:9:3.51.5|
CC(C)Cn1nnc(n1)-c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccc(Br)cc4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5|
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
CN(C)c1ccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)cc1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)[N+]([O-])=O)C1=O)(C2)C3 |TLB:8:1:45:6.9.5,8:6:45:1.44.2,THB:2:3:9:1.44.8,2:1:9:3.45.5|
CC(C)(C)CCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C#N)C1=O
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)c1
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1
CC(CC1CCCC1)c1cccc2N(c3ccccc3)C(=O)C(NC(=O)Nc3ccccc3)C(=O)Nc12
CC(C)CC(C)N1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(CN5CCOCC5)c4)C1=O)(C2)C3 |TLB:5:3:48:6.9.8,THB:2:3:9:1.48.8,2:1:9:3.49.5,5:6:48:3.49.2|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(CO)c4)C1=O)(C2)C3 |TLB:8:1:44:6.9.5,8:6:44:1.43.2,THB:2:3:9:1.43.8,2:1:9:3.44.5|
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccccc4)C1=O)[C@@]([H])(C2)C3 |wU:3.3,40.45,wD:6.6,1.0,TLB:10:9:5:1.8.2,THB:42:40:5:1.8.2,42:1:5:9.40.43,10:9:1.42.8:3.5.43,2:3:9:1.42.8,2:1:9:3.5.43,(13.64,-.13,;12.37,-.95,;11.18,-.03,;9.88,-.77,;8.71,.18,;9.45,-2.13,;10.62,-3.02,;9.32,-3.79,;11.8,-2.27,;10.91,-4.71,;9.86,-5.83,;10.31,-7.29,;9.32,-8.23,;7.99,-7.45,;6.65,-8.23,;6.65,-9.77,;7.99,-10.55,;9.34,-9.79,;10.27,-10.69,;9.8,-12.15,;8.3,-12.49,;7.85,-13.96,;8.88,-15.09,;10.4,-14.75,;10.85,-13.29,;11.77,-10.43,;12.69,-11.69,;12.5,-9.02,;14.02,-9.06,;14.79,-10.4,;13.99,-11.72,;16.31,-10.42,;17.07,-11.77,;16.28,-13.07,;17.03,-14.43,;18.57,-14.46,;19.36,-13.12,;18.6,-11.77,;11.8,-7.56,;12.75,-6.35,;11.48,-3.28,;12.63,-4.27,;12.75,-2.52,;10.23,-2.33,)|
CN(C)c1cccc(NC(=O)NC2C(=O)N(C3CC4CCC3C4)c3ccccc3N(c3ccccc3)C2=O)c1 |TLB:15:16:22:20.19|
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(N1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)N(C)C)C1=O)[C@@]([H])(C2)C3 |wU:3.3,42.47,wD:1.0,6.6,TLB:10:9:3.5.45:1.8.44,10:9:44:3.45.2,5:3:9.6.8:44,THB:5:6:44:3.45.2,2:3:9:1.8.44,2:1:9:3.5.45,(13.7,-3.48,;12.19,-3.35,;11.81,-1.89,;10.33,-1.7,;9.96,-.22,;9.15,-2.49,;9.55,-3.93,;8.03,-3.74,;10.93,-4.05,;8.72,-5.45,;9.17,-6.92,;8.19,-7.84,;6.86,-7.08,;5.52,-7.84,;5.52,-9.4,;6.86,-10.17,;8.19,-9.4,;9.14,-10.33,;8.67,-11.79,;7.17,-12.11,;6.7,-13.59,;7.75,-14.72,;9.26,-14.39,;9.72,-12.93,;10.63,-10.07,;11.56,-11.31,;11.37,-8.64,;12.9,-8.67,;13.66,-10.03,;12.86,-11.34,;15.2,-10.04,;15.95,-11.4,;15.16,-12.71,;15.9,-14.05,;17.46,-14.08,;18.24,-12.74,;17.49,-11.41,;19.77,-12.78,;20.51,-14.11,;20.54,-11.46,;10.68,-7.17,;9.69,-8.35,;10.06,-4.66,;11.05,-5.96,;11.54,-4.84,;9.63,-3.13,)|
CC(C)CCN1c2ccccc2N(c2ccccc2F)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
Fc1ccccc1N1c2ccccc2N(CCC2CCCC2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1
CC(C)C(C)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)(C1CCCC1)N1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C2N=NN=N2)C1=O |c:40,42|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccc(O)cc4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5|
CCCCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)C(O)=O)C1=O)(C2)C3 |TLB:5:3:44:6.9.8,THB:2:3:9:1.44.8,2:1:9:3.45.5,5:6:44:3.45.2|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(C=O)c4)C1=O)(C2)C3 |TLB:8:1:44:6.9.5,8:6:44:1.43.2,THB:2:3:9:1.43.8,2:1:9:3.44.5|
CC(C)(C)CCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C2N=NN=N2)C1=O |c:37,39|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(NC(C)=O)c4)C1=O)(C2)C3 |TLB:5:3:45:6.9.8,8:1:46:6.9.5,8:6:46:1.45.2,THB:5:6:45:3.46.2|
Fc1ccccc1N1c2ccccc2N(CCC2CCCC2)C(=O)C(NC(=O)Nc2cccc(c2)C2N=NN=N2)C1=O |c:40,42|
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(N1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccccc4)C1=O)[C@@]([H])(C2)C3 |wU:39.44,3.3,wD:6.6,1.0,TLB:10:9:3.42.5:1.41.8,10:9:41:3.42.2,5:3:41:9.6.8,THB:5:6:41:3.42.2,2:3:9:1.41.8,2:1:9:3.42.5,(14.87,-3.48,;13.35,-3.35,;12.97,-1.89,;11.47,-1.7,;11.12,-.22,;10.31,-2.49,;10.71,-3.93,;9.18,-3.74,;12.1,-4.05,;9.88,-5.45,;10.33,-6.92,;9.34,-7.84,;8,-7.08,;6.66,-7.84,;6.66,-9.4,;8,-10.17,;9.36,-9.4,;10.29,-10.33,;9.82,-11.79,;8.32,-12.11,;7.86,-13.59,;8.89,-14.72,;10.42,-14.39,;10.87,-12.93,;11.79,-10.07,;12.71,-11.31,;12.52,-8.64,;14.05,-8.67,;14.81,-10.03,;14.02,-11.34,;16.34,-10.04,;17.11,-11.4,;16.31,-12.71,;17.06,-14.05,;18.6,-14.08,;19.4,-12.74,;18.63,-11.41,;11.82,-7.17,;11.02,-8.57,;11.22,-4.66,;11.76,-5.96,;12.7,-4.84,;10.79,-3.13,)|
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(N1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)C4N=NN=N4)C1=O)[C@@]([H])(C2)C3 |wU:6.6,1.0,wD:3.3,44.50,c:42,44,TLB:5:3:46:9.6.8,THB:10:9:1.46.8:3.47.5,10:9:46:3.47.2,5:6:46:3.47.2,2:3:9:1.46.8,2:1:9:3.47.5,(9.17,-.22,;9.53,-1.7,;11.02,-1.89,;11.4,-3.35,;12.91,-3.48,;10.74,-4.84,;9.27,-4.66,;10.01,-5.87,;8.83,-3.13,;7.93,-5.46,;8.37,-6.92,;7.4,-7.84,;6.06,-7.08,;4.72,-7.84,;4.72,-9.4,;6.06,-10.17,;7.4,-9.4,;8.34,-10.33,;7.88,-11.79,;6.38,-12.11,;5.9,-13.6,;6.95,-14.72,;8.47,-14.39,;8.93,-12.93,;9.84,-10.07,;10.76,-11.32,;10.57,-8.64,;12.11,-8.67,;12.86,-10.03,;12.07,-11.35,;14.4,-10.04,;15.16,-11.4,;14.37,-12.72,;15.1,-14.05,;16.66,-14.09,;17.45,-12.75,;16.7,-11.41,;18.98,-12.78,;19.87,-14.02,;21.31,-13.57,;21.35,-12.04,;19.9,-11.54,;9.88,-7.18,;8.9,-8.51,;8.76,-3.93,;7.24,-3.74,;8.35,-2.49,;10.14,-4.05,)|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)C(=O)OCC)C1=O)(C2)C3 |TLB:5:3:46:6.9.8,THB:2:3:9:1.46.8,2:1:9:3.47.5,5:6:46:3.47.2|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CCN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(SC)c4)C1=O)(C2)C3 |TLB:5:3:44:6.9.8,THB:2:3:9:1.44.8,2:1:9:3.45.5,5:6:44:3.45.2|
OC(=O)CCNC(=O)c1cc([nH]c1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1
OCc1cc(CO)cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3ccccc3c2)c1
OC(=O)c1cc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O
OC(=O)c1cc(NC(=O)c2cc([nH]c2CC2CCCCCC2)-c2ccccc2)cc(c1)C(O)=O
OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3[nH]ccc3c2)cc(c1)C(O)=O
CN([C@@H](Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)C(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
OC(=O)c1cc(NC(=O)c2cc([nH]c2CCC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O
OC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
OCc1cc(CO)cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1cc(cc(c1)C(O)=O)C(O)=O
OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O
OC(=O)c1cc(NC(=O)c2cc([nH]c2CC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc2[nH]cnc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3ccccc3c2)c1
OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccccc2)cc(c1)C(O)=O
OC(=O)c1cccc(NC(=O)c2cc([nH]c2CC2CCCCCC2)-c2ccc3ccccc3c2)c1
OC(=O)c1cc(NC(=O)c2cc([nH]c2CC2CCCCCC2)-c2ccc3ccccc3c2)cc(c1)C(O)=O
OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3ccccc3c2)cc(c1)C(O)=O
Clc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(c1)C(=O)N1CCCCC1
OC(=O)c1cc(NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:33:34:37:41.40.39,THB:35:36:39:43.34.42,35:34:37.36.41:39,42:34:37:41.40.39,42:40:37:43.35.34,33:34:37.36.41:39|
C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2)C(O)=O |wD:6.5,1.0,TLB:32:33:36.35.40:38,11:13:16.21:28.23,THB:20:21:14.13:28.23,17:16:14.13:28.23,34:35:38:42.33.41,34:33:36.35.40:38,24:23:14.13:16.21,41:33:36:40.39.38,41:39:36:42.34.33,29:14:16.21:28.23,(32.91,-11.57,;32.82,-13.12,;31.44,-13.82,;30.14,-12.97,;30.22,-11.42,;28.76,-13.67,;28.67,-15.22,;29.87,-16.19,;29.31,-17.63,;27.77,-17.55,;27.38,-16.06,;26.05,-15.26,;26.08,-13.71,;24.7,-16.02,;24.5,-17.41,;22.96,-16.74,;22.7,-14.83,;21.52,-15.01,;20.77,-14.07,;21.22,-12.95,;22.41,-12.78,;23.15,-13.72,;23.22,-15.37,;21.86,-15.98,;20.78,-15.03,;19.42,-15.5,;19.14,-16.92,;20.23,-17.85,;21.58,-17.39,;25.26,-18.76,;24.47,-20.09,;26.81,-18.77,;27.57,-20.12,;29.12,-20.14,;30.14,-18.86,;31.56,-19.42,;33.07,-19,;31.86,-20.28,;31.87,-21.78,;30.52,-22.26,;31.57,-21.02,;29.11,-21.68,;30.53,-19.79,;34.12,-13.96,;35.5,-13.26,;34.04,-15.51,)|
COc1ccc(CCNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1
Nc1cccc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cc(cc(c3)C(O)=O)C(O)=O)c(cc12)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:40:41:44:48.47.46,THB:42:43:46:50.41.49,42:41:44.43.48:46,49:41:44:48.47.46,49:47:44:50.42.41,40:41:44.43.48:46|
CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(O)=O |TLB:13:12:15:8.7.9,13:8:15:12.14.11,THB:11:12:7:10.15.9,11:10:7:12.14.13|
CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:12|
Brc1ccc(NC(=O)N2NC(=O)[C@@H]([C@H]2c2ccccc2)c2ccccc2)cc1
Cn1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cc(cc(c3)C(O)=O)C(O)=O)c(cc12)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:43:44:48:42.41.47,47:42:49:46.48.45,47:46:49:42.41.43,THB:43:42:48:44.49.45|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NC2CCCCCC2)cc(c1)C(O)=O
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9|
OC(=O)c1cccc(NC(=O)c2[nH]c(nc2COC23CC4CC(CC(C4)C2)C3)C2CCCCC2)c1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,17:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
OC(=O)c1cccc(NC(=O)c2nc([nH]c2CC23CC4CC(CC(C4)C2)C3)-c2ccccc2)c1 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,16:17:20:24.23.22,25:17:20:24.23.22,25:23:20:26.18.17|
Nc1cccc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3sccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:32:33:36:40.39.38,THB:34:35:38:42.33.41,34:33:36.35.40:38,41:33:36:40.39.38,41:39:36:42.34.33,32:33:36.35.40:38|
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3[nH]cnc23)c1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3ccccc23)c1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3ncccc23)c1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2ccc3ncsc3c2)c1
Cn1nc2ccc(cc2n1)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Cn1nc2cccc(c2n1)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3ncsc23)c1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3cnccc23)c1
Clc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Cn1nnc2c(cccc12)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Ic1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1
Clc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3cccnc23)c1
Clc1ccc(CNC(=O)c2ccc(Br)cc2NS(=O)(=O)c2cccc3nsnc23)cc1
Cc1nc2cccc(c2s1)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3scnc23)c1
Clc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nonc23)c1
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CS[C@H]1C[C@H](N(C1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CS[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CCS[C@@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CS[C@@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
C[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCS[C@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CCCS[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CCS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CCCCC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCS[C@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CS[C@H]1CC(N(C1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CCS[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CCCS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CC(C)C[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCS[C@@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CS[C@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)OC(C)(C)C)c2c1)c1ccccc1
CCC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
COc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1
Cc1cccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c12)c1ccccc1
Cc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)cc1
CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@H](NC(=O)Nc2cccc(Cl)c2)C1=O)C1CCCCC1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
CCc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
CC1(CCCCC1)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
CC(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12
Cc1ccc2[C@@H](Cc3ccccc3)C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1
CC(C)(NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1)c1ccccc1
CC(C)(C)NC(=O)CN1c2cc(Cl)ccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
Cc1ccc2N(CC(=O)NC(C)(C)C)C(=O)[C@@H](C[C@H](c3ccccc3)c2c1)NC(=O)Nc1cccc(Cl)c1
Cc1ccc2[C@@H](C[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1
CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)C1CCCCC1
Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12
CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1cccc(Cl)c1
CN(C(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1)C(C)(C)C
CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
Cc1ccccc1NC(=O)N[C@@H]1C[C@H](c2ccccc2)c2ccccc2N(CC(=O)NC(C)(C)C)C1=O
Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
CC(C)(C)NC(=O)CN1c2ccc(Cl)cc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:9|
CC(C)CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:12|
CC(C)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:12|
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9|
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCCC(=O)NC(Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC(Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)NC(Cc1ccccc1)C(N)=O
CN(C(Cc1ccccc1)C(N)=O)C(=O)CCCCNC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(CCC(=O)N(C)C(Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O
CN(C(Cc1ccccc1)C(N)=O)C(=O)CNC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(CCCC(=O)N(C)C(Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(C(Cc1ccccc1)C(N)=O)C(=O)CCCCCNC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(CC(=O)N(C)C(Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(CC(=O)NC(Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(C(Cc1ccccc1)C(N)=O)C(=O)CCNC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(CCC(=O)NC(Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(C(Cc1ccccc1)C(N)=O)C(=O)C[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CC(=O)NC(Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN([C@@H](Cc2ccccc2)C(N)=O)C(=O)C1
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCCCC(=O)NC(Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCN(C(Cc2ccccc2)C(N)=O)C(=O)CC1
CN(CCCC(=O)NC(Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(C(Cc1ccccc1)C(N)=O)C(=O)CCCNC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(1.85,-13.1,;.54,-13.87,;-.79,-14.65,;-.79,-16.19,;.12,-17.43,;-.77,-18.69,;-2.24,-18.22,;-3.59,-18.99,;-4.92,-18.22,;-4.92,-16.68,;-3.59,-15.9,;-2.26,-16.67,;-.97,-13.47,;-2.3,-12.7,;-3.4,-13.77,;-2.7,-11.21,;-4.18,-10.81,;-5.51,-10.01,;-6.08,-8.59,;-7.72,-8.75,;-8.82,-9.8,;-8.28,-11.21,;-6.99,-11.85,;-5.93,-10.81,;-6.49,-9.52,;-6.67,-11.11,;1.87,-14.64,;1.85,-16.18,;3.41,-14.64,;4.18,-13.3,;5.72,-13.3,;6.49,-11.95,;8.03,-11.97,;8.8,-10.64,;8.01,-9.29,;8.77,-7.96,;6.47,-9.31,;5.7,-10.64,;4.18,-15.97,;5.72,-15.97,;6.49,-17.3,;6.49,-14.63,)|
CC(Cc1ccc2ccccc2c1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:22.24,20.28,18.20,wD:24.25,TLB:16:17:19:22.26.21,THB:23:24:19:22.26.21,23:22:19:17.24.25,(14.77,-13.49,;13.46,-14.28,;12.13,-15.05,;12.13,-16.6,;13.47,-17.34,;13.49,-18.89,;12.15,-19.67,;12.16,-21.2,;10.84,-21.99,;9.49,-21.22,;9.49,-19.68,;10.82,-18.91,;10.8,-17.37,;11.96,-13.86,;10.62,-13.09,;9.52,-14.18,;10.22,-11.6,;8.74,-11.2,;6.99,-11.22,;5.92,-12.25,;4.63,-11.6,;4.09,-10.2,;5.19,-9.14,;6.83,-9,;7.41,-10.41,;6.25,-11.5,;6.43,-9.91,;14.8,-15.03,;14.77,-16.57,;16.33,-15.03,;17.1,-13.7,;18.65,-13.7,;19.42,-12.36,;18.63,-11.04,;19.4,-9.7,;20.94,-9.7,;21.73,-11.04,;20.96,-12.37,;17.11,-16.36,;18.65,-16.36,;19.42,-17.7,;19.42,-15.03,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)Nc1ccccc1 |wU:23.24,wD:21.23,19.27,17.19,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,(14.71,-10.97,;13.38,-11.76,;12.05,-12.53,;12.06,-14.08,;12.97,-15.31,;12.07,-16.57,;10.6,-16.11,;9.25,-16.88,;7.92,-16.11,;7.92,-14.56,;9.25,-13.79,;10.59,-14.56,;11.88,-11.35,;10.55,-10.58,;9.45,-11.67,;10.15,-9.08,;8.66,-8.69,;7.33,-7.89,;6.77,-6.49,;5.13,-6.63,;4.02,-7.68,;4.56,-9.08,;5.84,-9.74,;6.91,-8.7,;6.35,-7.4,;6.18,-8.99,;14.71,-12.51,;14.71,-14.05,;16.25,-12.51,;17.02,-11.18,;16.25,-9.85,;17.01,-8.52,;18.56,-8.52,;19.33,-9.85,;18.56,-11.18,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)c(Cl)c1 |wU:21.23,19.27,17.19,wD:23.24,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,(13.49,-10.17,;12.16,-10.95,;10.83,-11.72,;10.83,-13.28,;11.74,-14.51,;10.85,-15.77,;9.38,-15.31,;8.03,-16.08,;6.7,-15.31,;6.7,-13.75,;8.03,-12.98,;9.36,-13.75,;10.66,-10.55,;9.32,-9.78,;8.22,-10.86,;8.92,-8.29,;7.44,-7.89,;5.69,-7.89,;4.63,-8.94,;3.34,-8.29,;2.8,-6.88,;3.9,-5.83,;5.54,-5.68,;6.11,-7.09,;4.95,-8.2,;5.13,-6.6,;13.49,-11.72,;13.49,-13.25,;15.03,-11.71,;15.8,-10.38,;17.34,-10.38,;18.11,-9.04,;17.32,-7.71,;18.09,-6.39,;19.63,-6.38,;20.4,-5.05,;20.42,-7.71,;21.96,-7.71,;19.63,-9.05,)|
CC(Cc1cccc2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:22.24,20.28,18.20,wD:24.27,TLB:16:17:19:22.26.21,THB:23:24:19:22.26.21,23:22:19:17.24.25,(13.85,-9.4,;12.53,-10.18,;11.2,-10.95,;11.21,-12.51,;12.54,-13.27,;12.56,-14.8,;11.22,-15.58,;9.87,-14.82,;8.57,-15.6,;7.23,-14.85,;7.21,-13.3,;8.54,-12.53,;9.87,-13.29,;11.02,-9.78,;9.69,-9.01,;8.59,-10.09,;9.29,-7.51,;7.79,-7.12,;6.06,-7.12,;4.98,-8.16,;3.7,-7.51,;3.14,-6.1,;4.26,-5.05,;5.9,-4.89,;6.46,-6.31,;5.32,-7.42,;5.48,-5.82,;13.87,-10.95,;13.85,-12.49,;15.41,-10.94,;16.18,-9.61,;17.72,-9.61,;18.49,-8.26,;17.71,-6.94,;18.48,-5.61,;20.02,-5.6,;20.81,-6.94,;20.02,-8.28,;16.19,-12.28,;17.73,-12.28,;18.5,-13.62,;18.49,-10.94,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Br)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(13,-12.04,;11.67,-12.82,;10.34,-13.59,;10.34,-15.14,;11.25,-16.38,;10.36,-17.64,;8.89,-17.17,;7.54,-17.94,;6.21,-17.17,;6.21,-15.62,;7.54,-14.85,;8.87,-15.62,;10.17,-12.42,;8.83,-11.65,;7.73,-12.72,;8.43,-10.16,;6.95,-9.76,;5.2,-9.76,;4.14,-10.8,;2.85,-10.16,;2.31,-8.75,;3.41,-7.7,;5.05,-7.54,;5.62,-8.96,;4.46,-10.06,;4.64,-8.47,;13,-13.59,;13,-15.12,;14.54,-13.58,;15.31,-12.25,;16.85,-12.25,;17.62,-10.9,;16.83,-9.59,;17.6,-8.26,;19.14,-8.24,;19.91,-6.91,;19.93,-9.59,;19.16,-10.92,)|
CC(Cc1ccccc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:18.19,16.23,14.15,wD:20.22,TLB:12:13:15:18.22.17,THB:19:20:15:18.22.17,19:18:13.20.21:15,(13.77,-12.89,;12.44,-13.67,;11.13,-14.44,;11.14,-15.99,;12.47,-16.74,;12.48,-18.28,;11.14,-19.06,;9.81,-18.3,;9.8,-16.76,;10.95,-13.26,;9.62,-12.49,;8.52,-13.58,;9.22,-11,;7.73,-10.6,;6,-10.62,;4.92,-11.65,;3.65,-11,;3.09,-9.6,;4.21,-8.55,;5.84,-8.4,;6.4,-9.81,;5.26,-10.9,;5.42,-9.32,;13.79,-14.43,;13.77,-15.97,;15.33,-14.43,;16.08,-13.1,;17.62,-13.1,;18.39,-11.76,;19.93,-11.77,;20.7,-10.44,;19.93,-9.1,;18.39,-9.11,;17.62,-10.44,;16.1,-15.76,;17.64,-15.76,;18.41,-17.09,;18.41,-14.43,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1Cl |wU:21.28,19.20,23.24,wD:17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(16.99,-12.55,;15.66,-13.33,;14.35,-14.1,;14.36,-15.66,;15.27,-16.89,;14.36,-18.15,;12.89,-17.69,;11.55,-18.46,;10.22,-17.69,;10.22,-16.13,;11.55,-15.36,;12.89,-16.13,;14.17,-12.93,;12.84,-12.16,;11.74,-13.24,;12.44,-10.67,;10.95,-10.27,;9.62,-9.47,;9.06,-8.06,;7.43,-8.21,;6.31,-9.26,;6.87,-10.67,;8.14,-11.32,;9.22,-10.27,;8.64,-8.98,;8.48,-10.58,;17.01,-14.1,;16.99,-15.63,;18.55,-14.09,;19.3,-12.76,;20.84,-12.76,;21.61,-11.42,;20.84,-10.1,;21.61,-8.77,;23.15,-8.76,;23.92,-7.43,;23.92,-10.1,;23.15,-11.43,;23.92,-12.76,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1cccc2ccccc12 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(9.96,-9.54,;8.63,-10.31,;7.31,-11.09,;7.32,-12.64,;8.23,-13.87,;7.32,-15.13,;5.85,-14.67,;4.51,-15.44,;3.18,-14.67,;3.18,-13.13,;4.51,-12.34,;5.85,-13.11,;7.13,-9.91,;5.8,-9.14,;4.7,-10.21,;5.4,-7.65,;3.91,-7.25,;2.17,-7.25,;1.1,-8.29,;-.18,-7.65,;-.74,-6.24,;.38,-5.19,;2.02,-5.03,;2.58,-6.45,;1.43,-7.55,;1.6,-5.96,;9.97,-11.08,;9.96,-12.62,;11.51,-11.08,;12.27,-9.74,;13.81,-9.74,;14.58,-8.39,;13.81,-7.08,;14.57,-5.75,;16.12,-5.73,;16.89,-7.08,;18.41,-7.08,;19.18,-8.39,;18.41,-9.72,;16.89,-9.72,;16.12,-8.39,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:17.19,wD:21.28,19.20,23.26,TLB:25:21:24:16.17.18,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(25.85,-.15,;24.53,-.92,;23.2,-1.7,;23.22,-3.24,;24.13,-4.48,;23.22,-5.74,;21.75,-5.27,;20.4,-6.04,;19.07,-5.27,;19.07,-3.73,;20.4,-2.95,;21.75,-3.72,;23.03,-.52,;21.68,.25,;20.6,-.82,;21.3,1.74,;19.81,2.14,;18.07,2.14,;16.99,1.1,;15.73,1.74,;15.17,3.15,;16.29,4.2,;17.92,4.36,;18.49,2.94,;17.34,1.84,;17.51,3.43,;25.86,-1.69,;25.85,-3.23,;27.4,-1.69,;28.17,-.35,;29.71,-.35,;30.48,1,;29.7,2.31,;30.46,3.66,;32.01,3.66,;32.77,4.99,;32.79,2.31,;32.02,.98,;32.78,-.35,;28.17,-3.02,;29.71,-3.02,;30.48,-4.35,;30.48,-1.68,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCCc1ccccc1
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(6.49,-7.36,;5.16,-8.14,;3.83,-8.91,;3.83,-10.46,;4.74,-11.7,;3.85,-12.96,;2.38,-12.49,;1.03,-13.26,;-.3,-12.49,;-.3,-10.94,;1.03,-10.17,;2.36,-10.94,;3.81,-7.37,;2.48,-6.6,;1.38,-7.68,;2.08,-5.11,;.59,-4.71,;-.74,-3.9,;-1.3,-2.5,;-2.93,-2.64,;-4.05,-3.69,;-3.49,-5.11,;-2.22,-5.75,;-1.14,-4.72,;-1.72,-3.41,;-1.88,-5.02,;6.49,-8.9,;6.49,-10.44,;8.03,-8.9,;8.8,-7.57,;10.34,-7.57,;11.11,-6.23,;10.32,-4.91,;11.09,-3.58,;12.63,-3.57,;13.42,-4.91,;12.65,-6.24,;8.8,-10.23,;10.34,-10.23,;11.11,-11.56,;11.11,-8.9,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(14.26,-12.21,;12.93,-13,;11.6,-13.77,;11.6,-15.31,;12.51,-16.55,;11.62,-17.81,;10.15,-17.34,;8.8,-18.11,;7.47,-17.34,;7.47,-15.8,;8.8,-15.03,;10.13,-15.8,;11.43,-12.58,;10.09,-11.81,;8.99,-12.9,;9.69,-10.32,;8.21,-9.92,;6.46,-9.94,;5.4,-10.97,;4.11,-10.32,;3.57,-8.92,;4.67,-7.87,;6.31,-7.71,;6.88,-9.13,;5.72,-10.23,;5.9,-8.64,;14.26,-13.75,;14.26,-15.29,;15.8,-13.75,;16.57,-12.42,;18.11,-12.42,;18.88,-11.08,;18.09,-9.76,;18.86,-8.43,;20.4,-8.41,;21.17,-7.08,;21.19,-9.76,;20.42,-11.09,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(O)=O |wU:21.28,19.20,23.24,wD:17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(14.82,-10.14,;13.5,-10.93,;12.18,-11.69,;12.19,-13.24,;13.1,-14.47,;12.19,-15.73,;10.72,-15.27,;9.39,-16.04,;8.06,-15.27,;8.06,-13.72,;9.39,-12.95,;10.72,-13.72,;12.01,-10.51,;10.68,-9.75,;9.58,-10.83,;10.28,-8.25,;8.79,-7.86,;7.46,-7.07,;6.9,-5.66,;5.27,-5.81,;4.15,-6.86,;4.71,-8.25,;5.99,-8.91,;7.06,-7.87,;6.48,-6.58,;6.32,-8.16,;14.84,-11.68,;14.82,-13.22,;16.38,-11.68,;17.15,-13.01,;18.67,-13.01,;19.45,-14.33,;19.76,-11.91,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCc1ccccc1 |wU:21.28,19.20,23.24,wD:17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(19.72,-14.36,;18.39,-15.14,;17.06,-15.91,;17.08,-17.46,;17.99,-18.7,;17.09,-19.96,;15.62,-19.49,;14.26,-20.26,;12.93,-19.49,;12.93,-17.94,;14.26,-17.17,;15.61,-17.94,;16.9,-14.73,;15.56,-13.96,;14.47,-15.05,;15.17,-12.47,;13.68,-12.07,;12.35,-11.28,;11.78,-9.87,;10.15,-10.02,;9.04,-11.07,;9.59,-12.47,;10.86,-13.12,;11.93,-12.09,;11.37,-10.79,;11.2,-12.37,;19.72,-15.9,;19.72,-17.44,;21.26,-15.9,;22.03,-14.57,;23.57,-14.57,;24.34,-13.24,;25.88,-13.21,;26.65,-14.56,;25.88,-15.9,;24.34,-15.9,)|
CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(O)=O)CCc1ccccc1 |wU:23.26,wD:21.23,19.27,17.29,TLB:24:19:25:16.23.22,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(12.3,-9.53,;10.97,-10.3,;9.66,-11.08,;9.67,-12.62,;10.58,-13.86,;9.67,-15.12,;8.2,-14.65,;6.86,-15.42,;5.53,-14.65,;5.53,-13.11,;6.86,-12.33,;8.2,-13.1,;9.48,-9.9,;8.14,-9.13,;7.05,-10.2,;7.75,-7.64,;6.26,-7.24,;4.93,-6.44,;4.37,-5.02,;2.74,-5.18,;1.62,-6.23,;2.18,-7.64,;3.45,-8.28,;4.51,-7.24,;3.95,-5.95,;3.79,-7.54,;12.32,-11.07,;12.3,-12.61,;13.86,-11.07,;14.63,-12.4,;16.17,-12.4,;16.94,-13.73,;18.48,-13.73,;16.17,-15.06,;14.61,-9.73,;16.15,-9.73,;16.92,-8.38,;16.15,-7.07,;16.92,-5.74,;18.46,-5.72,;19.23,-7.07,;18.46,-8.4,)|
OC(=O)CN(CCc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:37.39,wD:35.38,33.42,31.44,TLB:29:30:32:35.39.34,THB:38:33:30.37.36:39,36:37:32:35.39.34,36:35:30.37.38:32,(10.53,-4,;9.76,-2.67,;10.53,-1.33,;8.22,-2.67,;7.45,-1.34,;8.22,,;9.76,,;10.53,1.35,;12.07,1.33,;12.84,2.66,;12.06,4.01,;10.51,4.01,;9.75,2.66,;5.91,-1.34,;5.9,-2.88,;4.58,-.57,;3.25,-1.35,;3.27,-2.89,;4.18,-4.13,;3.27,-5.39,;1.8,-4.92,;.45,-5.69,;-.88,-4.92,;-.88,-3.38,;.45,-2.6,;1.8,-3.37,;3.09,-.17,;1.75,.6,;.65,-.47,;1.35,2.09,;-.13,2.49,;-1.46,3.29,;-2.03,4.71,;-3.68,4.55,;-4.78,3.5,;-4.22,2.09,;-2.96,1.45,;-1.88,2.49,;-2.44,3.78,;-2.61,2.19,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |wU:21.23,23.26,17.19,wD:19.27,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,20:19:16:21.22.25,(13.64,-8.63,;12.89,-7.3,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;8.24,-11.43,;7.21,-12.7,;5.8,-12.13,;4.31,-12.55,;5.51,-11.27,;5.48,-9.79,;6.85,-9.3,;5.8,-10.55,;6.83,-11.77,;14.42,-7.18,;15.09,-5.8,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,)|
CC(Cc1ccc(Br)cc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:19.20,17.24,15.16,wD:21.23,TLB:13:14:16:19.23.18,THB:20:21:16:19.23.18,20:19:14.21.22:16,(17.3,-9.45,;15.98,-10.23,;14.64,-11,;14.66,-12.56,;15.99,-13.31,;16,-14.85,;14.67,-15.63,;14.67,-17.17,;13.33,-14.87,;13.31,-13.34,;14.47,-9.82,;13.12,-9.05,;12.04,-10.13,;12.74,-7.56,;11.25,-7.15,;9.5,-7.16,;8.43,-8.19,;7.15,-7.56,;6.6,-6.15,;7.72,-5.1,;9.35,-4.94,;9.92,-6.36,;8.77,-7.47,;8.94,-5.87,;17.31,-11,;17.3,-12.53,;18.85,-10.99,;19.63,-9.66,;21.17,-9.66,;21.94,-8.31,;23.48,-8.31,;24.25,-6.99,;23.48,-5.64,;21.92,-5.66,;21.16,-6.99,;19.63,-12.33,;21.17,-12.33,;21.94,-13.66,;21.94,-10.99,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc2ccccc2c1)C(=O)NCCc1ccccc1
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCCc1ccccc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(10.65,-12.14,;9.32,-12.93,;7.99,-13.7,;8,-15.24,;8.91,-16.48,;8.01,-17.74,;6.54,-17.27,;5.19,-18.04,;3.86,-17.27,;3.86,-15.73,;5.19,-14.96,;6.53,-15.73,;7.82,-12.51,;6.49,-11.74,;5.39,-12.83,;6.09,-10.25,;4.6,-9.85,;2.85,-9.87,;1.78,-10.9,;.51,-10.25,;-.04,-8.85,;1.07,-7.8,;2.71,-7.65,;3.27,-9.06,;2.12,-10.16,;2.29,-8.57,;10.65,-13.68,;10.65,-15.22,;12.19,-13.68,;12.96,-12.35,;14.5,-12.35,;15.27,-11.01,;16.81,-11.01,;17.55,-9.68,;19.09,-9.67,;19.86,-11.01,;19.11,-12.35,;17.57,-12.35,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)Nc1ccc2ccccc2c1 |wU:23.24,wD:21.23,19.27,17.19,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,(13.7,-11.7,;12.37,-12.49,;11.04,-13.26,;11.04,-14.81,;11.96,-16.05,;11.06,-17.31,;9.59,-16.84,;8.24,-17.61,;6.91,-16.84,;6.91,-15.29,;8.24,-14.52,;9.57,-15.29,;10.87,-12.07,;9.52,-11.3,;8.43,-12.39,;9.13,-9.8,;7.65,-9.41,;6.31,-8.61,;5.74,-7.2,;4.1,-7.35,;2.99,-8.4,;3.54,-9.8,;4.82,-10.46,;5.89,-9.42,;5.33,-8.12,;5.15,-9.71,;13.71,-13.24,;13.7,-14.79,;15.25,-13.24,;16.02,-11.91,;15.24,-10.58,;16,-9.24,;17.56,-9.24,;18.32,-7.91,;19.85,-7.89,;20.63,-9.24,;19.86,-10.57,;18.33,-10.57,;17.56,-11.91,)|
COc1ccc(CCNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)OC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)cc1 |wU:32.34,30.38,28.30,wD:34.37,TLB:26:27:29:32.36.31,THB:33:34:29:32.36.31,33:32:27.34.35:29,(21.77,-7.66,;20.21,-7.66,;19.46,-9.01,;20.24,-10.34,;19.47,-11.67,;17.93,-11.67,;17.16,-13,;15.62,-13,;14.85,-14.33,;13.31,-14.33,;13.31,-15.87,;11.98,-13.58,;13.31,-12.79,;10.65,-14.35,;10.66,-15.9,;11.57,-17.13,;10.67,-18.39,;9.2,-17.93,;7.85,-18.7,;6.52,-17.93,;6.52,-16.38,;7.85,-15.61,;9.19,-16.38,;10.48,-13.17,;9.15,-12.4,;8.05,-13.49,;8.75,-10.9,;7.26,-10.51,;5.51,-10.52,;4.44,-11.56,;3.17,-10.9,;2.62,-9.5,;3.73,-8.45,;5.37,-8.29,;5.93,-9.71,;4.78,-10.81,;4.95,-9.22,;17.15,-10.34,;17.9,-9.01,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(cc1)[N+]([O-])=O |wU:17.29,wD:21.28,19.20,23.26,TLB:25:21:24:16.17.18,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(14.54,-5.88,;13.21,-6.66,;11.91,-7.44,;11.91,-8.98,;12.82,-10.22,;11.91,-11.48,;10.44,-11.01,;9.11,-11.78,;7.78,-11.01,;7.78,-9.47,;9.11,-8.69,;10.44,-9.46,;11.72,-6.25,;10.39,-5.48,;9.29,-6.56,;9.99,-3.99,;8.5,-3.59,;6.75,-3.6,;5.7,-4.64,;4.42,-3.99,;3.86,-2.59,;4.98,-1.54,;6.61,-1.38,;7.17,-2.8,;6.03,-3.9,;6.19,-2.31,;14.57,-7.42,;14.54,-8.96,;16.11,-7.42,;16.85,-6.09,;18.39,-6.09,;19.16,-4.74,;20.7,-4.76,;21.47,-3.43,;20.7,-2.08,;19.16,-2.1,;18.39,-3.43,;21.47,-.75,;22.71,-1.5,;21.47,.7,)|
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)c(Nc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:9|
CN(c1nn[nH]n1)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 |t:18|
CN(c1nnn[nH]1)c1cc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)ccc1C |t:16|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)c(Nc3nnn[nH]3)c2)C1=O)c1ccccc1 |c:9|
CN(c1nnn[nH]1)c1cc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)ccc1C |t:16|
CN(c1nnn[nH]1)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |t:18|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc3CCN(c4nnn[nH]4)c3c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(Nc3nnn[nH]3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(Nc3nnn[nH]3)c2)C1=O)C1CCCCC1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CNc3nnn[nH]3)c2)C1=O)c1ccccc1 |c:9|
CCCCCN(CCCCC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(NC=O)c2)C1=O)c1ccccc1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(N)c2)C1=O)c1ccccn1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C#N)C1=O)c1ccccc1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)[N+]([O-])=O)C1=O)c1ccccc1 |c:15|
CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:15|
CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:12|
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)N2CCCCC2)C1=O)c1ccccn1 |c:15|
CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:13|
CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:13|
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)N2CCCC2)C1=O)c1ccccc1 |c:15|
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(N)c2)C1=O)c1ccccc1 |c:15|
CN(C)c1cccc(NC(=O)N[C@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:13|
CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)N2CCCC2)C1=O)c1ccccn1 |c:15|
Cc1ccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)cc1
COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
COc1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
COc1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
COC(=O)c1ccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)cc1
Cc1cccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)c1
COC(=O)c1ccccc1NC(=O)NCCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(c1)[N+]([O-])=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1[N+]([O-])=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
CC(=O)c1ccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)cc1
COc1ccc(NC(=O)NCCCC[C@H](NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc2ccccc2)C(N)=O)cc1
CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc3CCCc3c2)C1=O)[C@H]1CC(C)(C)CCN1 |c:11|
CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCCCN1C |c:11|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |wD:10.11,c:9,(-1.99,-1.96,;-1.66,-3.47,;-2.84,-4.41,;-4.17,-3.64,;-5.52,-4.43,;-5.52,-5.95,;-4.17,-6.72,;-2.84,-5.95,;-1.66,-6.91,;-.15,-6.56,;.51,-5.2,;2.05,-5.21,;2.83,-3.88,;2.06,-2.55,;4.37,-3.89,;5.14,-2.55,;6.71,-2.55,;7.48,-1.22,;6.68,.13,;5.14,.13,;4.41,1.5,;4.37,-1.22,;-.15,-3.8,;.81,-2.6,;-1.85,-8.42,;-3.34,-8.83,;-3.98,-9.96,;-3.36,-11.34,;-1.82,-11.66,;-.6,-10.63,;-2.5,-11.08,;-2.5,-9.54,;-.71,-9.12,)|
CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCC(C)(C)CCN1 |c:11|
CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@@H]1CCCCN1 |c:11|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCC(C)(C)CCN1 |c:9|
CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1 |c:16|
CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCCCN1 |c:11|
CCN(CC)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc[n+]1C |c:16|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)C1CCCCC1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCC1 |c:9|
CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CC(C)(C)CCN1 |c:11|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc3CCCc3c2)C1=O)[C@H]1CC(C)(C)CCN1 |c:9|
CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)[C@H]1CCC(C)(C)CCN1C |c:11|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:9|
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
O=C(NNc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2ccccc2)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(NNC(=O)NC2CCCCC2)nc2ccccc2c1=O
CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccnc2)c1
CC(C)Oc1cccc(c1)-n1c(CNC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O
CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1
CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1
CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(c2)N(C)C)c1
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2ccc(cc2)C(F)(F)F)nc2ccccc2c1=O
CN(C)c1cccc(c1)-n1c(NNC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C(O)=O)nc2ccccc2c1=O
COc1ccccc1NC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(OC(C)C)c1
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O
COc1ccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)cc1
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C#N)nc2ccccc2c1=O
COc1cccc(c1)N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)Nc1cccc(c1)C(O)=O
COc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1
CC(C)Oc1cccc(c1)-n1c(CCNC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O
CCOc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C#N)nc2ccccc2c1=O
CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2Cl)c1 |(18.86,-5.37,;17.52,-6.14,;16.19,-5.35,;16.22,-3.81,;17.55,-3.06,;14.89,-3.04,;14.89,-1.5,;13.56,-.71,;12.23,-1.48,;12.23,-3.01,;10.9,-3.78,;9.57,-2.99,;9.57,-1.45,;8.22,-3.76,;6.89,-2.99,;5.55,-3.74,;4.21,-2.97,;2.89,-3.74,;1.56,-2.96,;.24,-3.74,;.24,-5.28,;1.56,-6.04,;2.89,-5.28,;4.21,-6.05,;4.2,-7.59,;5.55,-5.28,;6.88,-6.07,;8.21,-5.3,;9.54,-6.07,;9.54,-7.61,;8.19,-8.38,;8.19,-9.92,;6.87,-7.59,;5.53,-8.36,;13.56,-3.79,)|
CCOc1cccc(c1)-n1c(NNC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)c1
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc2c1=O
Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N)c2)c1
CCOC(=O)c1ccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)cc1
Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccnc2)c1
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(NNC(=O)c2ccc(Br)cc2)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(NC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C(=O)OC(C)(C)C)nc2ccccc2c1=O
CN(C)c1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C#N)nc2ccccc2c1=O
Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2Cl)c1 |(17.57,-3.82,;16.23,-3.04,;16.26,-1.5,;14.93,-.71,;13.59,-1.47,;13.59,-3.02,;12.24,-3.79,;10.9,-3,;10.93,-1.46,;9.57,-3.76,;8.24,-2.99,;6.91,-3.75,;5.57,-2.97,;4.24,-3.74,;2.91,-2.97,;1.57,-3.74,;1.57,-5.28,;2.91,-6.06,;4.22,-5.28,;5.55,-6.06,;5.55,-7.6,;6.91,-5.29,;8.21,-6.08,;9.55,-5.31,;10.88,-6.09,;10.88,-7.63,;9.52,-8.39,;9.52,-9.94,;8.21,-7.61,;6.86,-8.37,;14.9,-3.8,)|
COc1cccc(c1)N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)Nc1cccc(C)c1
COc1cccc(c1)-n1c(NNC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OCC)c2)c1
CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O
COC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |t:14|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |wU:1.13,wD:32.38,30.41,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:19.18.25:21.22.23,15:16:25:21.23.20,(22.06,-1.42,;22.08,-2.96,;22.09,-4.51,;21.3,-5.84,;19.77,-5.96,;19.42,-7.48,;20.76,-8.25,;21.05,-9.76,;22.49,-10.27,;23.65,-9.25,;23.36,-7.76,;21.92,-7.25,;20.72,-2.2,;19.38,-3,;19.42,-4.55,;18.05,-2.26,;16.71,-3.06,;15.22,-2.62,;15.23,-1.04,;14.17,.19,;12.79,-.39,;12.79,-1.91,;13.82,-3.2,;14.2,-2.26,;15.52,-1.77,;15.52,-.29,;23.4,-2.17,;23.37,-.62,;24.94,-2.17,;25.84,-.91,;27.3,-1.38,;27.3,-2.91,;25.85,-3.39,;25.37,-4.87,;26.42,-6,;23.88,-5.19,;28.56,-.46,;29.96,-1.09,;30.13,-2.62,;31.54,-3.25,;32.79,-2.33,;34.19,-2.96,;32.61,-.78,;31.19,-.17,;31.03,1.35,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:1.13,wD:1.0,TLB:15:16:19.18.25:21.23.22,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,15:16:18:21.22.20,(7.91,-7.33,;7.94,-8.88,;7.94,-10.43,;7.17,-11.75,;5.62,-11.9,;5.27,-13.39,;6.62,-14.19,;6.91,-15.68,;8.36,-16.2,;9.52,-15.17,;9.23,-13.68,;7.78,-13.17,;6.59,-8.13,;5.23,-8.91,;5.27,-10.46,;3.91,-8.17,;2.56,-8.97,;1.07,-8.54,;-.34,-9.1,;-1.38,-7.84,;-1.38,-6.3,;.01,-5.72,;1.07,-6.94,;1.37,-6.2,;1.37,-7.69,;.04,-8.17,;9.27,-8.07,;9.23,-6.52,;10.81,-8.07,;11.55,-6.74,;13.09,-6.72,;13.84,-5.38,;13.06,-4.07,;13.8,-2.75,;15.35,-2.72,;16.1,-1.4,;16.12,-4.04,;15.36,-5.38,;11.55,-9.42,;13.1,-9.39,;13.9,-10.72,;13.87,-8.04,)|
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)NC(C)(Cc1c[nH]c4ccccc14)C(=O)N1CCC(CC1)C(=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:3.3,42.47,wD:1.0,6.6,TLB:10:9:5:1.8.2,THB:44:42:5:1.8.2,44:1:5:9.42.45,2:3:9:1.44.8,2:1:9:3.5.45,10:9:1.44.8:3.5.45,(.37,-4.95,;.95,-6.36,;-.8,-6.4,;.55,-7.17,;-.61,-8.19,;1.12,-8.59,;2.75,-8.43,;3.39,-9.82,;1.53,-7.65,;3.85,-7.36,;5.2,-8.11,;6.53,-7.31,;6.6,-5.77,;7.81,-8.15,;9.19,-7.46,;8.83,-8.96,;9.28,-5.92,;10.32,-4.79,;11.85,-4.96,;12.49,-3.57,;11.36,-2.53,;11.39,-1,;10.07,-.2,;8.74,-.97,;8.72,-2.5,;10.03,-3.27,;10.48,-8.3,;10.4,-9.84,;11.86,-7.6,;12.91,-6.47,;14.35,-7.45,;15.68,-7.32,;14.63,-8.47,;13.1,-7.47,;16.81,-8.39,;16.44,-9.9,;18.28,-7.95,;18.63,-6.46,;20.11,-6.01,;21.24,-7.08,;20.87,-8.58,;19.39,-9.01,;3.3,-5.96,;4.42,-4.92,;2.02,-5.33,;1.68,-6.07,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |wU:1.13,wD:33.39,31.42,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:19.18.25:21.22.23,15:16:25:21.23.20,(10.82,-4.07,;10.82,-5.61,;10.86,-7.16,;10.05,-8.5,;8.51,-8.62,;8.18,-10.14,;9.5,-10.91,;9.79,-12.42,;11.24,-12.92,;12.4,-11.91,;12.11,-10.41,;10.66,-9.91,;9.47,-4.86,;8.15,-5.66,;8.18,-7.21,;6.8,-4.92,;5.48,-5.71,;3.97,-5.28,;3.97,-3.7,;2.94,-2.45,;1.52,-3.04,;1.56,-4.57,;2.55,-5.86,;2.94,-4.92,;4.26,-4.42,;4.29,-2.94,;12.14,-4.83,;12.11,-3.28,;13.69,-4.83,;14.46,-3.48,;16,-3.48,;16.78,-4.83,;16,-6.16,;14.46,-6.16,;14.46,-7.7,;15.78,-8.5,;13.11,-8.46,;18.32,-4.83,;19.87,-4.83,;20.64,-6.16,;22.15,-6.18,;22.92,-4.83,;24.47,-4.83,;22.15,-3.51,;20.61,-3.51,;19.83,-2.17,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](C[C@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |wU:33.39,1.0,wD:1.13,31.42,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:19.18.25:21.22.23,15:16:25:21.23.20,(10.79,-4.05,;10.79,-5.59,;10.82,-7.13,;10.02,-8.45,;8.48,-8.58,;8.16,-10.09,;9.48,-10.86,;9.76,-12.36,;11.21,-12.88,;12.36,-11.85,;12.07,-10.37,;10.63,-9.86,;9.44,-4.82,;8.13,-5.63,;8.16,-7.17,;6.78,-4.89,;5.47,-5.69,;3.96,-5.24,;3.96,-3.67,;2.93,-2.42,;1.52,-3.03,;1.55,-4.53,;2.55,-5.82,;2.93,-4.89,;4.25,-4.41,;4.28,-2.93,;12.11,-4.79,;12.07,-3.25,;13.65,-4.79,;14.42,-3.48,;15.96,-3.48,;16.73,-4.79,;15.96,-6.14,;14.42,-6.14,;14.42,-7.68,;15.73,-8.45,;13.07,-8.42,;18.27,-4.82,;19.81,-4.82,;20.58,-6.14,;22.08,-6.14,;22.85,-4.82,;24.39,-4.82,;22.08,-3.48,;20.54,-3.48,;19.77,-2.16,)|
Fc1ccccc1C1=NC(NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2c(Cl)cccc12 |t:8,(1.83,-5.95,;.33,-6.36,;-.13,-7.82,;-1.63,-8.15,;-2.68,-7.01,;-2.21,-5.54,;-.69,-5.21,;-.23,-3.76,;1.28,-3.51,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.34,-2.11,;8.67,-2.88,;10,-2.12,;10,-.58,;8.66,.2,;7.34,-.57,;8.66,1.74,;7.41,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.33,-.64,;2.27,.58,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;3.29,1.11,;4.53,1.46,;5.05,2.86,;4.21,4.17,;2.62,4.31,;2.61,2.77,;4.09,3.17,;1.64,3.17,;-1.14,-1.28,;-2.49,-.51,;-2.49,1.03,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,)|
Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)|
Fc1ccccc1C1=NC(NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2ccccc12 |t:8,(1.42,-6,;-.06,-6.42,;-.53,-7.87,;-2.05,-8.21,;-3.07,-7.07,;-2.61,-5.6,;-1.1,-5.28,;-.62,-3.81,;.87,-3.58,;1.59,-2.15,;2.92,-2.92,;4.25,-2.15,;4.27,-.61,;5.58,-2.92,;6.93,-2.17,;8.26,-2.95,;9.59,-2.18,;9.6,-.64,;8.24,.13,;6.93,-.64,;8.24,1.67,;7,2.57,;7.47,4.04,;9.01,4.04,;9.5,2.58,;.92,-.7,;1.87,.51,;-.58,-.4,;-1,1.07,;.05,2.19,;-.37,3.66,;1.55,1.81,;1.24,3.1,;2.22,4.25,;3.8,4.12,;4.65,2.79,;4.13,1.39,;3.69,3.12,;2.2,2.71,;2.88,1.05,;-1.56,-1.34,;-2.89,-.57,;-4.22,-1.35,;-4.22,-2.89,;-2.89,-3.66,;-1.56,-2.9,)|
CCc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:44,(-3.82,1.79,;-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.54,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.68,-.56,;6,-2.87,;7.34,-2.11,;8.67,-2.88,;10,-2.12,;10,-.58,;8.66,.2,;7.34,-.57,;8.66,1.74,;7.41,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.36,;1.83,-5.95,)|
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](CNC(=O)CCCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)C[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)[C@@H](C)CC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC(N)CC
OC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
C[Si](C)(C)CCOC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
CC(C)(C)OC(=O)N[C@H]1C[C@H]2N([C@@H](Cc3c2[nH]c2ccccc32)C(=O)N[C@@H](CC(O)=O)Cc2ccccc2)C1=O
C[Si](C)(C)CCOC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
CC(C)(C)OC(=O)N[C@H]1C[C@H]2N([C@@H](Cc3c2[nH]c2ccccc32)C(=O)N[C@H](CC(O)=O)Cc2ccccc2)C1=O
OC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
C[Si](C)(C)CCOC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(5.02,-9.99,;5.02,-8.45,;5.04,-6.91,;4.14,-5.65,;2.62,-5.88,;1.94,-4.5,;3.02,-3.41,;2.96,-1.87,;4.25,-1.05,;5.63,-1.76,;5.69,-3.3,;4.39,-4.13,;3.69,-9.22,;2.36,-8.45,;2.36,-6.91,;1.01,-9.22,;-.32,-8.43,;-.32,-6.89,;-1.63,-6.11,;-2.98,-6.87,;-4.94,-6.94,;-3.61,-7.71,;-2.12,-7.3,;-3.2,-9.2,;-1.66,-9.2,;-2.99,-8.41,;6.35,-9.22,;6.35,-10.76,;7.68,-8.45,;9.03,-9.22,;10.34,-8.43,;10.34,-6.89,;11.67,-6.11,;11.65,-4.57,;13,-6.87,;14.33,-6.07,;15.66,-6.84,;16.99,-6.05,;15.69,-8.38,;11.69,-9.2,;11.7,-10.74,;13.03,-11.5,;14.36,-10.72,;14.35,-9.18,;13,-8.41,)|
OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.1,29.33,wD:1.0,TLB:25:24:22:19.18.20,15:16:19.18.25:21.22.23,THB:25:19:22:16.24.23,20:19:16:21.22.23,20:21:16:19.18.25,15:16:22:19.18.20,(11.44,-4.79,;12.24,-6.15,;10.69,-6.15,;9.93,-7.51,;10.42,-8.97,;9.17,-9.86,;7.93,-8.97,;6.43,-9.3,;5.41,-8.14,;5.87,-6.68,;7.37,-6.35,;8.4,-7.51,;13.8,-9.46,;15.33,-9.46,;16.12,-8.1,;16.12,-10.79,;17.98,-11.52,;17.89,-13.08,;19.44,-13.68,;21,-13.15,;21.89,-14.47,;20.27,-13.74,;18.81,-14.24,;20.3,-12.28,;19.48,-11.02,;21.07,-11.59,;13,-4.82,;12.24,-3.49,;14.54,-4.82,;15.3,-3.46,;16.85,-3.46,;17.61,-4.79,;19.14,-4.79,;16.85,-6.11,;14.53,-2.13,;15.29,-.81,;14.49,.52,;15.26,1.85,;16.79,1.85,;17.58,.52,;16.82,-.81,)|
C[Si](C)(C)CCOC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.1,wD:29.33,1.0,TLB:25:24:22:19.18.20,15:16:19.18.25:21.22.23,THB:25:19:22:16.24.23,20:19:16:21.22.23,20:21:16:19.18.25,15:16:22:19.18.20,(11.34,-6.2,;12.13,-7.56,;10.6,-7.56,;9.84,-8.91,;10.31,-10.38,;9.07,-11.27,;7.83,-10.38,;6.34,-10.7,;5.31,-9.55,;5.77,-8.08,;7.29,-7.76,;8.31,-8.92,;13.69,-10.86,;15.23,-10.87,;16.01,-9.52,;16.01,-12.2,;17.86,-12.93,;17.78,-14.48,;19.32,-15.08,;20.87,-14.55,;21.77,-15.87,;20.15,-15.13,;18.69,-15.64,;20.18,-13.68,;19.37,-12.43,;20.96,-12.99,;12.89,-6.23,;12.13,-4.9,;14.44,-6.23,;15.2,-4.88,;16.74,-4.88,;17.5,-6.2,;19.02,-6.2,;16.74,-7.53,;14.42,-3.55,;15.18,-2.23,;14.38,-.91,;15.15,.42,;16.69,.43,;17.46,-.89,;16.7,-2.23,)|
COc1ccc(c(OC)c1)-c1nc(NC(=O)c2cc3ccccc3n2CC(O)=O)ncc1CC1CCCCC1
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN(C)CC\C=C\c1cccnc1
Cc1ccccc1NC(=O)NCCCC[C@@H](CC(O)=O)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
Cc1ccccc1NC(=O)NCCCCC(CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:23.37,wD:23.24,TLB:41:42:46:39.40.45,38:39:46:42.48.43,THB:43:44:39:42.41.48,43:42:39:44.46.45,41:40:46:42.48.43,(16.59,-2.78,;16.68,-1.24,;18.06,-.54,;18.13,1,;16.84,1.84,;15.47,1.14,;15.4,-.4,;14.03,-1.1,;12.74,-.26,;12.81,1.28,;11.36,-.96,;10.08,-.12,;8.7,-.82,;7.42,.02,;6.04,-.68,;4.74,.16,;4.83,1.7,;6.21,2.4,;7.49,1.56,;6.28,3.94,;3.38,-.52,;2.08,.32,;2.17,1.84,;.71,-.38,;.22,1.38,;.4,-1.99,;1.22,-3.34,;.43,-4.64,;1.42,-5.79,;2.83,-5.21,;4.21,-5.86,;5.47,-4.98,;5.34,-3.46,;3.95,-2.81,;2.71,-3.69,;-.58,.46,;-1.96,-.24,;-2.03,-1.78,;-3.24,.6,;-4.62,-.1,;-4.81,-1.62,;-5.97,-2.76,;-7.3,-2.03,;-8.84,-2.26,;-7.5,-1.14,;-6.24,-1.8,;-7.32,.33,;-5.93,.65,;-7.11,-.45,)|
Cc1ccccc1NC(=O)NCCCC[C@@H](CC(O)=O)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(CC(=O)Nc2ccccc2)C1=O)c1ccccc1
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)C1CCCCNC(=O)CCN2C(=O)CC(SC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc3c[nH]cn3)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC3CC(=O)N(CCC(=O)N1)C3=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2=O |r|
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
COc1ccc(cc1)N(C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O
COc1ccc(cc1)N(C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@H](NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@H](NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O
CC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1
CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
CC(=O)N\C(=C\c1ccccc1)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
O=C(N1CCOCC1)c1ccccc1NS(=O)(=O)c1cccc2nsnc12
Fc1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1
C[C@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12
O=C(N1CCCCC1)c1ccc(cc1NS(=O)(=O)c1cccc2nsnc12)-c1ccccc1
Clc1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1
Brc1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
CC1CC(C)CN(C1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
CC(=O)Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
CC1CCCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
Ic1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
OC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
CC(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
Clc1ccc(C(=O)N2CCc3ccccc3C2)c(NS(=O)(=O)c2cccc3nsnc23)c1
FC(F)(F)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12
Clc1ccc(C(=O)N2CCSC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
SCc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
COc1cc(NS(=O)(=O)c2cccc3nsnc23)c(cc1OC)C(=O)N1CCCCC1
COc1cc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)cc1Cl
Fc1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Brc1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1
Clc1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Brc1ccc(C(=O)N2CCCCC2)c(NC(=O)c2cccc3nsnc23)c1
Cc1ccc(c2nsnc12)S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Clc1ccc(C(=O)N2CCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Clc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Clc1ccc(cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCCCC1
Cc1cccc(C(=O)N2CCCCC2)c1NS(=O)(=O)c1cccc2nsnc12
Ic1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
CC1CN(CCN1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
O=C(N1CCCCC1)c1ccc(OC2CCCC2)cc1NS(=O)(=O)c1cccc2nsnc12
CN1CCN(CC1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
COc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
CN(c1cc(Br)ccc1C(=O)N1CCCCC1)S(=O)(=O)c1cccc2nsnc12
Clc1ccc(C(=O)N2CCC(CC2)c2ccccc2)c(NS(=O)(=O)c2cccc3nsnc23)c1
OCC1CCN(CC1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
C[C@H]1C=C[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |c:2|
O=C(N1CCCCC1)c1cc2ccccc2cc1NS(=O)(=O)c1cccc2nsnc12
Clc1cccc(C(=O)N2CCCCC2)c1NS(=O)(=O)c1cccc2nsnc12
OC(=O)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
O=C(N1CCCCC1)c1ccc(cc1NS(=O)(=O)c1cccc2nsnc12)-c1ccco1
Clc1ccc(C(=O)NCc2ccccc2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2ccc3nsnc3c2)c1
Clc1cc(NS(=O)(=O)c2cccc3nsnc23)c(cc1Cl)C(=O)N1CCCCC1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nccnc23)n1
O=C(N1CCCCC1)c1ccc(cc1NS(=O)(=O)c1cccc2nsnc12)-n1cccc1
Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2ccc(Br)c3nsnc23)c1
[O-][N+](=O)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
O=C(N1CCCCC1)C1=C(CC(NCc2ccccc2)C=C1)NS(=O)(=O)c1cccc2nsnc12 |c:22,t:9|
Clc1ccc(C(=O)N2CCCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Fc1ccc2nsnc2c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
Clc1ccc(C(=O)N2CCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12
Clc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1C(=O)N1CCCCC1
Brc1cc(NS(=O)(=O)c2cccc3nsnc23)c(cc1Br)C(=O)N1CCCCC1
C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12
Cc1ccc2nsnc2c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
CCc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
CN(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Clc1ccc(C(=O)N2CCC(CC2)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1
CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CCCC[C@@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Oc1ccc2c(\C=C\c3ccc(cc3)-c3ccccc3)cc3nc4ccccc4n3c2c1CN1C(=O)c2ccccc2C1=O
Oc1ccc(\C=C\c2cc3nc4ccccc4n3c3c(CN4C(=O)c5ccccc5C4=O)c(O)ccc23)cc1
Oc1ccc2c(\C=C\c3ccccc3)cc3nc4ccccc4n3c2c1CN1C(=O)c2ccccc2C1=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)CNC(=O)C(CCNCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:42.43,33.33|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)CNC(=O)[C@H](CCCNCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O |w:73.75,33.33|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)CNC(=O)[C@H](CCCCNCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)N(CCN(CCC(O)=O)CCC(O)=O)CCN(CCC(O)=O)CCC(O)=O)C(=O)NC(CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:80.81|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)CNC(=O)C(CNCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33,42.43|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33|
CC(C)C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O |r|
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(-c2nc(cn2-c2ccc3OCCOc3c2)C(=O)N2CCN(CC2)c2cc(C(O)=O)c3ccccc3c2)c(F)c1
OC(=O)c1cc(cc2ccccc12)N1CCN(CC1)C(=O)c1cn(c(n1)-c1ccc(F)cc1)-c1ccc2OCCOc2c1
Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Fc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccccc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1c(F)cccc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 |(-.9,-39.94,;-2.01,-41,;-3.49,-40.57,;-4.61,-41.64,;-6.09,-41.2,;-7.2,-42.28,;-6.84,-43.77,;-5.36,-44.19,;-4.24,-43.13,;-5,-45.69,;-3.49,-46.03,;-3.36,-47.57,;-4.77,-48.17,;-5.79,-47.01,;-7.3,-47.27,;-7.84,-48.71,;-6.85,-49.89,;-9.35,-48.96,;-10.34,-47.77,;-9.8,-46.33,;-8.28,-46.07,;-7.74,-44.63,;-2.03,-48.36,;-2.06,-49.9,;-.69,-47.61,;.64,-48.4,;1.99,-47.66,;2.02,-46.11,;.69,-45.32,;-.66,-46.07,;3.37,-45.37,;3.39,-43.84,;4.73,-43.09,;6.06,-43.88,;7.4,-43.15,;8.71,-43.94,;8.69,-45.48,;7.34,-46.22,;6.02,-45.42,;4.68,-46.17,)|
CCOc1cccc(c1)-n1cc(nc1-c1ccccc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1cccc(F)c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(CC)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccccc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Cc1ccc(cc1)-c1nc(cn1-c1cccc2OCCOc12)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Cc1ccc(cc1)-c1nc(cn1-c1cccc(OCC(F)(F)F)c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Cc1ccc(cc1)-c1nc(cn1-c1cccc(OC(F)(F)F)c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CC(C)Oc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Cc1ccc(cc1)-c1nc(cn1-c1cccc(O)c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
CCc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1cccc(c1)-c1cc(nn1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
COc1ccc(cc1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc2ccccc2cc1C(O)=O
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2cnccc2c1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ncccc2c1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc2ccccc2cn1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2n1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cccc2ccccc12
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1C(=O)NC(C)C)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1C(=O)NCC(O)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1C(=O)NC(C)C)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1CNS(C)(=O)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1CNC(C)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1COCC(O)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1COC(C)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1C(=O)NC(C)C)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(=O)NC)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNS(C)(=O)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(C)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1COCC(O)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1COC(C)=O)c1cnc2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1C(=O)NC(C)C)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1CNC(=O)NC)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1CNS(C)(=O)=O)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1CNC(C)=O)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1COCC(O)=O)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1C(=O)NC(C)C)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(=O)NC)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNS(C)(=O)=O)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(C)=O)c1cc(C(O)=O)c2ccccc2c1 |r|
CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1COCC(O)=O)c1cc(C(O)=O)c2ccccc2c1 |r|
CSCC[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
CC(C)C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
CSCCC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
CC(C)CC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
CSCCC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2n1C)C(O)=O
CC(C)C(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
OC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
OC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
CSCC[C@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
CC(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
CC(C)C[C@H](NC(=O)N(C(=O)c1cc2ccccc2[nH]1)c1ccccc1)C(O)=O |r|
OC(=O)CNC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
OC(=O)CC(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CCc1nn[nH]n1)c1ccccc1 |wU:1.36,6.6,wD:6.7,1.0,TLB:28:23:31:27.29.26,28:27:22.23.24:31,THB:21:22:31:27.29.26,26:27:22:25.24.31,26:25:22:27.29.28,(14.59,-8.55,;13.05,-8.55,;11.57,-8.13,;10.15,-8.83,;9.76,-7.34,;10.85,-6.25,;8.27,-6.94,;9.17,-5.33,;7.88,-5.46,;8.37,-3.99,;7.46,-2.76,;8.37,-1.51,;9.83,-1.99,;11.15,-1.21,;12.49,-1.98,;12.49,-3.52,;11.15,-4.29,;9.83,-3.52,;6.8,-6.53,;5.71,-7.6,;6.09,-9.09,;4.2,-7.2,;3.13,-8.3,;3.29,-9.81,;1.94,-10.32,;.57,-9.97,;-.48,-11.39,;.96,-10.79,;2.43,-11.2,;.78,-9.22,;1.68,-7.87,;.38,-8.51,;13.44,-10.02,;13.84,-11.51,;12.75,-12.6,;15.32,-11.91,;15.72,-13.4,;17.03,-14.17,;17.17,-15.7,;18.68,-16.03,;19.45,-14.7,;18.45,-13.56,;13.44,-7.06,;12.35,-5.97,;12.74,-4.48,;14.24,-4.06,;15.33,-5.15,;14.93,-6.64,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1 |TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:21:16:19.18.25,20:19:16:21.23.22,15:16:25:21.23.20|
[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CCC(=O)NO)c1ccccc1 |wU:1.36,6.6,wD:6.7,1.0,TLB:28:23:31:27.29.26,28:27:22.23.24:31,THB:21:22:31:27.29.26,26:27:22:25.24.31,26:25:22:27.29.28,(15.78,-7.61,;14.26,-7.61,;12.76,-7.22,;11.43,-7.99,;11.04,-6.49,;12.13,-5.42,;9.24,-6.54,;10.68,-4.57,;9.17,-4.62,;9.64,-3.16,;8.75,-1.91,;9.64,-.66,;11.11,-1.14,;12.44,-.36,;13.77,-1.13,;13.77,-2.68,;12.44,-3.45,;11.11,-2.68,;8.07,-5.69,;6.98,-6.77,;7.37,-8.27,;5.48,-6.38,;4.39,-7.47,;4.56,-8.98,;3.2,-9.48,;1.83,-9.15,;.78,-10.55,;2.22,-9.97,;3.69,-10.37,;2.04,-8.38,;2.94,-7.03,;1.66,-7.68,;14.09,-9.32,;15.03,-10.58,;13.95,-11.67,;16.52,-10.99,;16.92,-12.47,;15.83,-13.56,;14.35,-13.16,;16.22,-15.05,;17.72,-15.45,;15.57,-6.84,;16.92,-7.59,;18.25,-6.82,;18.23,-5.27,;16.88,-4.51,;15.56,-5.3,)|
[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CCC(=O)Nc1nn[nH]n1)c1ccccc1 |wU:1.36,6.6,wD:6.7,1.0,TLB:28:23:31:27.29.26,28:27:22.23.24:31,THB:21:22:31:27.29.26,26:27:22:25.24.31,26:25:22:27.29.28,(14.87,-7.82,;13.33,-7.82,;11.85,-7.43,;10.37,-7.82,;9.99,-6.33,;11.07,-5.26,;8.34,-6.7,;9.89,-4.24,;8.1,-4.46,;8.59,-2.99,;7.68,-1.75,;8.59,-.5,;10.04,-.98,;11.37,-.19,;12.72,-.96,;12.72,-2.52,;11.37,-3.29,;10.04,-2.52,;7.01,-5.53,;5.91,-6.61,;6.31,-8.1,;4.42,-6.21,;3.34,-7.3,;3.48,-8.82,;2.15,-9.32,;.77,-8.99,;-.28,-10.39,;1.17,-9.81,;2.64,-10.2,;.98,-8.22,;1.87,-6.87,;.59,-7.51,;13.01,-9.64,;14.12,-10.8,;13.03,-11.88,;15.61,-11.2,;16.01,-12.69,;14.92,-13.77,;13.42,-13.38,;15.31,-15.27,;16.81,-15.66,;17.34,-17.09,;18.88,-17.02,;19.28,-15.52,;18,-14.68,;14.66,-7.05,;16.01,-7.82,;17.32,-7.03,;17.32,-5.49,;15.97,-4.74,;14.64,-5.51,)|
[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1 |wU:1.36,6.6,wD:6.7,1.0,TLB:28:23:31:27.29.26,28:27:22.23.24:31,THB:26:27:22:25.24.31,26:25:22:27.29.28,21:22:31:27.29.26,(14.08,-8.89,;12.55,-8.89,;11.02,-8.61,;9.54,-9.01,;9.15,-7.52,;10.24,-6.44,;7.66,-7.12,;8.5,-5.14,;7.26,-5.63,;7.75,-4.18,;6.84,-2.92,;7.75,-1.69,;9.22,-2.15,;10.55,-1.38,;11.88,-2.15,;11.88,-3.69,;10.55,-4.46,;9.22,-3.69,;6.18,-6.7,;5.09,-7.79,;5.47,-9.29,;3.59,-7.4,;2.5,-8.48,;2.66,-9.99,;1.31,-10.51,;-.07,-10.17,;-1.12,-11.58,;.33,-10.99,;1.8,-11.39,;.14,-9.41,;1.05,-8.06,;-.26,-8.69,;12.93,-10.37,;13.33,-11.86,;12.25,-12.95,;14.82,-12.26,;15.21,-13.75,;16.71,-14.15,;17.8,-13.07,;17.41,-11.57,;19.28,-13.46,;18.57,-14.4,;18,-15.9,;20.16,-14.66,;19.27,-15.61,;13.87,-8.1,;13.86,-6.58,;15.17,-5.79,;16.53,-6.54,;16.54,-8.08,;15.21,-8.87,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:1.1,30.35,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.16,-4.53,;9.27,-6.4,;8.87,-4.92,;9.36,-3.46,;8.45,-2.22,;9.36,-.96,;10.83,-1.45,;12.16,-.66,;13.49,-1.43,;13.49,-2.99,;12.16,-3.76,;10.83,-2.99,;7.79,-6,;6.7,-7.08,;7.08,-8.57,;5.2,-6.68,;4.09,-7.77,;2.66,-7.33,;1.36,-7.98,;1.54,-9.46,;.49,-10.86,;1.94,-10.27,;1.75,-8.69,;3.41,-10.67,;4.27,-9.29,;2.92,-9.78,;10.76,-6.8,;11.85,-5.72,;11.15,-8.29,;12.74,-8.08,;14.23,-8.48,;14.61,-9.96,;14.21,-11.44,;12.72,-11.83,;15.28,-12.54,;14.87,-14.03,;15.95,-15.13,;17.44,-14.75,;15.54,-16.61,;14.22,-6.94,;12.88,-6.17,;12.87,-4.64,;14.2,-3.86,;15.54,-4.62,;15.55,-6.17,)|
[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CCP(O)(O)=O)c1ccccc1 |wU:1.36,6.6,wD:6.7,1.0,TLB:28:23:31:27.29.26,28:27:22.23.24:31,THB:26:27:22:25.24.31,26:25:22:27.29.28,21:22:31:27.29.26,(15.55,-8.55,;14.01,-8.55,;12.53,-8.15,;11.2,-8.92,;10.81,-7.43,;11.9,-6.35,;9.32,-7.42,;10.1,-5.77,;8.94,-5.55,;9.41,-4.09,;8.52,-2.85,;9.41,-1.59,;10.87,-2.08,;12.2,-1.29,;13.54,-2.06,;13.54,-3.62,;12.2,-4.39,;10.87,-3.62,;7.84,-6.63,;6.74,-7.71,;7.14,-9.2,;5.25,-7.31,;4.16,-8.4,;4.32,-9.92,;2.97,-10.41,;1.59,-10.09,;.54,-11.49,;1.99,-10.9,;3.46,-11.3,;1.8,-9.32,;2.71,-7.96,;1.42,-8.61,;14.4,-10.03,;14.79,-11.53,;13.7,-12.61,;16.29,-11.92,;16.68,-13.42,;15.59,-14.5,;14.1,-14.1,;17.13,-14.5,;15.98,-15.99,;15.34,-7.77,;16.68,-8.54,;18,-7.75,;17.99,-6.21,;16.64,-5.46,;15.31,-6.24,)|
OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1
OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1F
OC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1
OC(=O)[C@H]1CN(C(=O)[C@@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1
OC(=O)[C@H]1CN(C(=O)[C@@H]1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1cnc2ccccc2c1)c1ccccc1F
OC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1NC(=O)c1cc2ccccc2[nH]1
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |r,wU:1.1,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(-14.19,2.72,;-13.77,4.2,;-12.46,3.43,;-12.47,1.89,;-13.72,1,;-13.26,-.48,;-11.72,-.48,;-10.69,-1.62,;-9.18,-1.32,;-8.7,.15,;-9.72,1.29,;-11.23,.99,;-15.28,4.5,;-16.31,3.34,;-15.81,1.89,;-17.82,3.65,;-18.85,2.5,;-20.33,2.7,;-21.49,1.92,;-21.1,.48,;-21.9,-1.04,;-20.57,-.27,;-21,1.25,;-19.08,-.45,;-18.43,1.02,;-19.69,.34,;-12.76,5.36,;-13.26,6.81,;-11.25,5.05,;-10.24,6.2,;-8.71,5.9,;-8.21,4.46,;-6.7,4.14,;-6.22,2.69,;-5.69,5.29,;-4.17,5,;-3.17,6.16,;-1.64,5.85,;-3.65,7.62,;-7.7,7.06,;-8.19,8.54,;-7.18,9.67,;-5.65,9.37,;-5.16,7.91,;-6.19,6.75,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(14.92,-9.95,;14.82,-8.44,;14.8,-6.9,;15.89,-5.82,;14.99,-4.57,;15.89,-3.32,;17.37,-3.8,;18.68,-3.03,;20.03,-3.8,;20.03,-5.34,;18.68,-6.11,;17.37,-5.34,;13.49,-9.22,;12.14,-8.45,;12.14,-6.91,;10.82,-9.24,;9.27,-9.22,;8.58,-10.57,;7.09,-11.24,;6.1,-10.08,;4.57,-9.79,;6.2,-9.19,;6.88,-7.87,;8.29,-8.06,;6.81,-8.67,;7.17,-10.25,;16.15,-9.19,;17.49,-8.41,;16.17,-10.73,;17.52,-11.49,;17.53,-13.03,;16.2,-13.81,;18.84,-10.69,;20.18,-11.46,;20.18,-13,;21.53,-13.76,;22.85,-12.97,;22.82,-11.43,;21.5,-10.68,)|
OCC(Cc1ccccc1)NC(=O)C1(Cc2c[nH]c3ccccc23)CCCN1C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:37:32:40:36.38.35,37:36:31.32.33:40,THB:30:31:40:36.38.35,35:36:31:34.33.40,35:34:31:36.37.38,(9.97,-.12,;8.68,-.96,;8.78,-2.5,;10.15,-3.19,;11.43,-2.34,;12.81,-3.03,;14.09,-2.18,;14,-.64,;12.62,.04,;11.34,-.8,;7.49,-3.36,;6.12,-2.67,;6.05,-1.52,;4.84,-3.52,;4.84,-1.98,;5.23,-.49,;3.86,.23,;4.09,1.74,;5.63,1.97,;6.47,3.24,;8,3.16,;8.68,1.77,;7.84,.51,;6.3,.6,;4.6,-5.05,;3.09,-5.29,;2.39,-3.93,;3.46,-2.83,;2.12,-2.05,;.8,-2.84,;2.08,-.51,;.75,.23,;.61,1.74,;-.97,2.09,;-2.37,1.34,;-3.44,2.49,;-1.75,2.02,;-.44,2.71,;-1.58,.61,;-.62,-.47,;-2.22,-.16,)|
OCC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)C1CCC1 |c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)C1CCCCC1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)C1CCCC1 |c:9|
CCCC1C[C@H](N(C1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](C(=O)N[C@@H](CC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@@H](C(=O)N[C@@H](CC(O)=O)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN
CCCCC(C(=O)OCc1ccccc1)n1nnnc1C(Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)NC(=O)OCc1ccccc1
CCCC[C@@H](C(=O)N[C@@H](CC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(N)=O)n1nnnc1[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |wU:1.0,wD:1.13,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.23.22,20:21:16:19.18.25,15:16:25:21.23.20,(5.32,1.29,;5.32,-.26,;5.74,-1.74,;5.33,-3.23,;4.22,-4.1,;4.45,-5.49,;5.76,-5.99,;5.97,-7.37,;7.27,-7.88,;8.37,-7,;8.14,-5.62,;6.85,-5.12,;3.98,-1.04,;2.65,-.29,;2.64,1.25,;1.32,-1.06,;-.02,-1.83,;-1.35,-1.06,;-1.92,-2.3,;-1.92,-4.71,;-3.5,-4.99,;-2.68,-3.37,;-2.68,-1.83,;-1.35,-4.15,;-.02,-3.37,;-.4,-5.17,;6.67,-1.01,;6.69,-2.56,;8,-.23,;9.34,-.99,;10.67,-.21,;12.02,-.97,;13.34,-.17,;14.67,-.94,;14.69,-2.49,;13.36,-3.27,;12.03,-2.51,)|
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)NCCc1ccccn1)[C@@]([H])(C2)C3 |wU:3.3,6.6,14.16,wD:37.41,1.0,TLB:8:6:40:1.39.2,8:1:40:9.6.5,THB:10:9:40:1.39.2,2:3:9:1.8.39,2:1:9:3.40.5,(9.27,-3.28,;10.78,-3.02,;9.99,-1.76,;10.9,-.65,;10.13,.67,;10.64,-2.25,;11.48,-3.6,;12.2,-4.96,;10.41,-4.75,;12.97,-3.35,;13.98,-4.49,;15.5,-4.18,;15.98,-2.72,;16.54,-5.32,;18.04,-4.99,;19.38,-4.22,;18.9,-2.94,;18.2,-1.17,;19.34,-.14,;18.71,1.27,;17.18,1.11,;16.04,2.14,;14.57,1.66,;14.25,.16,;15.4,-.87,;16.86,-.4,;19.08,-6.13,;18.61,-7.6,;20.59,-5.8,;21.62,-6.94,;23.13,-6.61,;24.17,-7.75,;23.7,-9.22,;24.74,-10.35,;26.24,-10.02,;26.71,-8.56,;25.67,-7.42,;13.18,-1.74,;14.68,-1.42,;12.16,-2.75,;12.39,-.42,)|
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:3.3,6.6,14.16,wD:45.49,1.0,30.41,TLB:8:6:48:1.47.2,8:1:48:9.6.5,THB:10:9:48:1.47.2,2:3:9:1.8.47,2:1:9:3.48.5,(9.27,-3.28,;10.78,-3.02,;9.99,-1.76,;10.9,-.65,;10.13,.67,;10.64,-2.25,;11.48,-3.6,;12.2,-4.96,;10.41,-4.75,;12.97,-3.35,;13.98,-4.49,;15.5,-4.18,;15.98,-2.72,;16.54,-5.32,;18.04,-4.99,;19.38,-4.22,;18.9,-2.94,;18.2,-1.17,;19.34,-.14,;18.71,1.27,;17.18,1.11,;16.04,2.14,;14.57,1.66,;14.25,.16,;15.4,-.87,;16.86,-.4,;19.08,-6.13,;18.61,-7.6,;20.59,-5.8,;21.62,-6.94,;23.13,-6.61,;24.17,-7.75,;25.67,-7.42,;26.14,-5.95,;26.71,-8.56,;28.21,-8.23,;29.25,-9.37,;30.75,-9.04,;28.78,-10.83,;23.59,-5.14,;25.1,-4.81,;25.57,-3.35,;24.53,-2.21,;23.02,-2.54,;22.56,-4,;13.18,-1.74,;14.68,-1.42,;12.16,-2.75,;12.39,-.42,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.13,29.33,21.23,23.26,wD:19.27,17.19,1.0,THB:22:21:16.23.24:18,20:21:16:19.24.18,20:19:16:21.22.25,(9.25,-3.09,;9.25,-4.63,;9.25,-6.16,;8.78,-7.64,;9.69,-8.88,;8.78,-10.13,;7.31,-9.64,;5.97,-10.43,;4.65,-9.67,;4.65,-8.13,;5.97,-7.34,;7.31,-8.11,;7.75,-5.02,;6.69,-3.88,;7.18,-2.41,;5.18,-4.19,;4.19,-3.04,;2.69,-3.3,;1.84,-1.95,;2.1,-.36,;1.19,-1.45,;1.98,-2.72,;3.37,-2.45,;4.4,-1.42,;3.6,-.12,;1.61,-4.44,;10.73,-4.23,;11.13,-2.74,;11.82,-5.3,;13.3,-4.91,;13.7,-3.44,;15.19,-3.02,;15.58,-1.54,;16.28,-4.12,;14.4,-6,;15.86,-5.6,;15.86,-7.15,;17.2,-7.92,;18.53,-7.16,;18.53,-5.6,;17.2,-4.86,)|
COC(=O)CN(CCc1ccccn1)C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:16.30,35.37,wD:37.45,33.36,39.41,16.17,THB:34:35:38:32.33.41,36:37:32:35.34.40,36:35:32:37.38.41,(15.43,-10.41,;14.54,-9.17,;13.01,-9.32,;12.37,-10.72,;11.91,-8.22,;12.31,-6.74,;13.8,-6.35,;14.89,-7.43,;16.37,-7.05,;17.46,-8.13,;18.93,-7.75,;19.33,-6.26,;18.25,-5.16,;16.76,-5.56,;11.22,-5.65,;11.62,-4.16,;9.74,-6.05,;9.73,-4.51,;9.74,-7.59,;9.27,-9.06,;10.17,-10.3,;9.27,-11.56,;7.8,-11.08,;6.46,-11.86,;5.13,-11.09,;5.13,-9.54,;6.46,-8.77,;7.8,-9.54,;8.24,-6.45,;7.19,-5.3,;7.66,-3.83,;5.69,-5.62,;4.67,-4.48,;4.88,-2.85,;3.86,-3.88,;2.47,-4.15,;1.69,-2.88,;2.6,-1.78,;2.34,-3.37,;3.17,-4.72,;2.11,-5.86,;4.09,-1.55,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCCC(O)=O)CCc1ccccc1 |wU:1.13,19.20,wD:21.28,17.19,23.24,1.0,THB:18:19:22:16.17.25,20:21:16:19.18.24,20:19:16:21.22.25,(9.75,-4.52,;9.75,-6.06,;9.75,-7.6,;9.29,-9.08,;10.19,-10.31,;9.29,-11.58,;7.81,-11.1,;6.47,-11.88,;5.14,-11.11,;5.14,-9.56,;6.47,-8.79,;7.81,-9.56,;8.25,-6.46,;7.21,-5.31,;7.67,-3.84,;5.7,-5.63,;4.67,-4.49,;4.88,-2.86,;3.86,-3.89,;2.48,-4.16,;1.69,-2.88,;2.6,-1.78,;2.34,-3.37,;3.18,-4.73,;2.11,-5.87,;4.1,-1.55,;11.24,-5.66,;11.64,-4.17,;12.32,-6.75,;11.93,-8.23,;13.03,-9.33,;14.51,-8.94,;15.6,-10.03,;17.14,-9.98,;14.87,-11.39,;13.82,-6.36,;14.91,-7.44,;16.39,-7.06,;17.49,-8.14,;18.96,-7.76,;19.36,-6.27,;18.28,-5.17,;16.79,-5.57,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(O)=O)CCc1ccccc1 |wU:1.13,21.23,23.26,wD:19.27,17.19,1.0,THB:22:21:18:16.23.24,20:21:16:19.18.24,20:19:16:21.25.22,(9.73,-4.44,;9.74,-5.98,;9.74,-7.52,;9.27,-8.99,;10.17,-10.23,;9.27,-11.49,;7.8,-11.01,;6.46,-11.79,;5.13,-11.02,;5.13,-9.47,;6.46,-8.7,;7.8,-9.47,;8.24,-6.38,;7.19,-5.23,;7.66,-3.76,;5.69,-5.55,;4.67,-4.41,;3.17,-4.65,;2.34,-3.3,;2.6,-1.71,;1.69,-2.81,;2.47,-4.08,;3.86,-3.81,;4.88,-2.78,;4.09,-1.48,;2.11,-5.79,;11.22,-5.58,;11.62,-4.09,;12.3,-6.67,;11.91,-8.15,;13,-9.25,;12.6,-10.74,;13.91,-11.56,;11.23,-11.46,;13.8,-6.28,;14.89,-7.36,;16.36,-6.98,;16.76,-5.49,;18.25,-5.09,;19.33,-6.19,;18.93,-7.68,;17.46,-8.06,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCCCCCC(O)=O)CCc1ccccc1 |wU:19.20,1.0,wD:1.13,21.28,17.19,23.24,THB:18:19:22:16.17.25,20:21:16:19.18.24,20:19:16:21.22.25,(9.73,-1.8,;9.74,-3.34,;9.74,-4.88,;9.27,-6.35,;10.17,-7.58,;9.27,-8.84,;7.8,-8.36,;6.46,-9.15,;5.13,-8.38,;5.13,-6.82,;6.46,-6.05,;7.8,-6.82,;8.24,-3.73,;7.2,-2.59,;7.66,-1.12,;5.69,-2.9,;4.67,-1.76,;4.88,-.14,;3.86,-1.17,;2.47,-1.43,;1.69,-.16,;2.6,.93,;2.34,-.65,;3.17,-2.01,;2.11,-3.15,;4.09,1.17,;11.22,-2.94,;11.62,-1.45,;12.31,-4.02,;11.91,-5.51,;13.01,-6.6,;12.6,-8.1,;13.68,-9.18,;13.29,-10.66,;14.38,-11.76,;13.99,-13.24,;15.18,-14.21,;12.54,-13.79,;13.8,-3.62,;14.89,-4.71,;16.37,-4.32,;16.76,-2.85,;18.25,-2.45,;19.33,-3.55,;18.93,-5.02,;17.46,-5.41,)|
COC(=O)CN(CCc1ccccc1)C(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:35.37,16.17,wD:16.30,37.45,33.36,39.41,THB:34:35:38:32.33.41,36:37:32:35.34.40,36:35:32:37.38.41,(15.57,-10.02,;14.49,-8.92,;13,-9.32,;12.6,-10.81,;11.91,-8.22,;12.3,-6.73,;13.8,-6.33,;14.89,-7.43,;16.36,-7.03,;17.46,-8.13,;18.93,-7.73,;19.33,-6.26,;18.25,-5.16,;16.76,-5.56,;11.22,-5.65,;11.62,-4.16,;9.74,-6.05,;9.73,-4.51,;9.74,-7.59,;9.27,-9.06,;10.17,-10.3,;9.27,-11.56,;7.8,-11.07,;6.46,-11.86,;5.13,-11.09,;5.13,-9.55,;6.46,-8.76,;7.8,-9.53,;8.24,-6.45,;7.19,-5.3,;7.68,-3.83,;5.68,-5.61,;4.67,-4.46,;4.88,-2.85,;3.86,-3.88,;2.47,-4.14,;1.69,-2.88,;2.6,-1.78,;2.34,-3.37,;3.17,-4.72,;2.11,-5.86,;4.09,-1.55,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccn1)CC(O)=O |wU:19.20,1.0,wD:1.13,21.28,17.19,23.24,THB:18:19:22:16.17.25,20:21:16:19.18.24,20:19:16:21.22.25,(6.89,-3.2,;6.89,-4.74,;6.89,-6.28,;6.42,-7.75,;7.33,-8.98,;6.42,-10.24,;4.95,-9.76,;3.62,-10.55,;2.29,-9.78,;2.29,-8.22,;3.62,-7.45,;4.95,-8.22,;5.4,-5.13,;4.35,-3.99,;4.81,-2.52,;2.85,-4.3,;1.83,-3.16,;2.04,-1.54,;1.01,-2.57,;-.37,-2.83,;-1.16,-1.56,;-.25,-.47,;-.51,-2.05,;.33,-3.41,;-.74,-4.55,;1.24,-.23,;8.38,-4.34,;8.78,-2.85,;9.46,-5.42,;10.95,-5.02,;12.05,-6.11,;13.52,-5.72,;14.61,-6.81,;16.08,-6.42,;16.48,-4.95,;15.41,-3.85,;13.91,-4.25,;9.06,-6.91,;10.16,-8,;11.7,-7.85,;9.53,-9.4,)|
COC(=O)CCCCCCN(CCc1ccccc1)C(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:40.42,21.22,wD:21.35,42.50,38.41,44.46,THB:39:40:43:37.38.46,41:42:37:40.39.45,41:40:37:42.43.46,(12.5,-14.84,;12.74,-13.31,;11.55,-12.34,;10.1,-12.89,;11.95,-10.85,;10.85,-9.75,;11.25,-8.27,;10.17,-7.18,;10.57,-5.69,;9.47,-4.59,;9.87,-3.11,;11.37,-2.71,;12.46,-3.79,;13.94,-3.41,;14.33,-1.92,;15.82,-1.53,;16.9,-2.63,;16.51,-4.11,;15.04,-4.49,;8.79,-2.02,;9.18,-.52,;7.3,-2.42,;7.29,-.87,;7.3,-3.96,;6.83,-5.43,;7.74,-6.67,;6.83,-7.93,;5.36,-7.46,;4.02,-8.23,;2.69,-7.46,;2.69,-5.91,;4.02,-5.14,;5.36,-5.91,;5.8,-2.81,;4.75,-1.67,;5.22,-.19,;3.25,-1.99,;2.22,-.84,;2.43,.79,;1.41,-.24,;.02,-.51,;-.76,.76,;.15,1.86,;-.11,.27,;.72,-1.08,;-.34,-2.23,;1.64,2.1,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:1.13,19.20,wD:21.28,17.19,23.24,1.0,THB:18:19:22:16.17.25,20:21:16:19.18.24,20:19:16:21.22.25,(9.73,-4.51,;9.74,-6.05,;9.74,-7.59,;9.27,-9.06,;10.17,-10.3,;9.27,-11.56,;7.8,-11.07,;6.46,-11.86,;5.13,-11.09,;5.13,-9.55,;6.46,-8.76,;7.8,-9.53,;8.24,-6.45,;7.19,-5.3,;7.68,-3.83,;5.68,-5.61,;4.67,-4.46,;4.88,-2.85,;3.86,-3.88,;2.47,-4.14,;1.69,-2.88,;2.6,-1.78,;2.34,-3.37,;3.17,-4.72,;2.11,-5.86,;4.09,-1.55,;11.22,-5.65,;11.62,-4.16,;12.3,-6.73,;13.8,-6.33,;14.89,-7.43,;16.36,-7.03,;17.46,-8.13,;18.93,-7.73,;19.33,-6.26,;18.25,-5.16,;16.76,-5.56,;11.91,-8.22,;13,-9.32,;14.49,-8.92,;12.6,-10.81,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:19.20,1.0,wD:1.13,21.28,17.19,23.24,THB:18:19:22:16.17.25,20:21:16:19.18.24,20:19:16:21.22.25,(9.73,-4.51,;9.74,-6.05,;9.74,-7.59,;9.27,-9.06,;10.17,-10.3,;9.27,-11.56,;7.8,-11.07,;6.46,-11.86,;5.13,-11.09,;5.13,-9.55,;6.46,-8.76,;7.8,-9.53,;8.24,-6.45,;7.19,-5.3,;7.68,-3.83,;5.68,-5.61,;4.67,-4.46,;4.88,-2.85,;3.86,-3.88,;2.47,-4.14,;1.69,-2.88,;2.6,-1.78,;2.34,-3.37,;3.17,-4.72,;2.11,-5.86,;4.09,-1.55,;11.22,-5.65,;11.62,-4.16,;12.3,-6.73,;13.8,-6.33,;14.89,-7.43,;16.36,-7.03,;17.46,-8.13,;18.93,-7.73,;19.33,-6.26,;18.25,-5.16,;16.76,-5.56,;11.91,-8.22,;13,-9.32,;14.49,-8.92,;12.6,-10.81,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCC(O)=O)CCc1ccccc1 |wU:21.23,23.26,1.0,wD:1.13,19.27,17.19,THB:22:21:18:16.23.24,20:21:16:19.18.24,20:19:16:21.25.22,(9.73,-4.35,;9.74,-5.89,;9.74,-7.43,;9.27,-8.9,;10.17,-10.13,;9.27,-11.39,;7.8,-10.93,;6.46,-11.7,;5.13,-10.93,;5.13,-9.39,;6.46,-8.62,;7.8,-9.39,;8.24,-6.28,;7.19,-5.14,;7.66,-3.67,;5.69,-5.47,;4.67,-4.32,;3.17,-4.56,;2.34,-3.2,;2.6,-1.62,;1.69,-2.71,;2.47,-4,;3.86,-3.72,;4.88,-2.69,;4.09,-1.38,;2.11,-5.7,;11.22,-5.49,;11.62,-4,;12.3,-6.59,;11.91,-8.06,;13,-9.15,;12.6,-10.65,;13.91,-11.46,;11.23,-11.37,;13.8,-6.19,;14.89,-7.26,;16.36,-6.89,;16.76,-5.4,;18.25,-5,;19.33,-6.1,;18.93,-7.59,;17.46,-7.96,)|
COC(=O)CCN(CCc1ccccc1)C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:17.31,38.41,40.44,wD:36.45,34.37,17.18,THB:39:38:35:33.40.41,37:38:33:36.35.41,37:36:33:38.42.39,(13.84,-13.17,;13.91,-11.63,;12.6,-10.81,;11.23,-11.53,;13,-9.32,;11.91,-8.22,;12.3,-6.74,;13.8,-6.35,;14.89,-7.43,;16.36,-7.05,;16.76,-5.56,;18.25,-5.16,;19.33,-6.26,;18.93,-7.75,;17.46,-8.13,;11.22,-5.65,;11.62,-4.16,;9.74,-6.05,;9.73,-4.51,;9.74,-7.59,;9.27,-9.06,;10.17,-10.3,;9.27,-11.56,;7.8,-11.08,;6.46,-11.86,;5.13,-11.09,;5.13,-9.54,;6.46,-8.77,;7.8,-9.54,;8.24,-6.45,;7.19,-5.3,;7.66,-3.83,;5.69,-5.62,;4.67,-4.48,;3.17,-4.72,;2.34,-3.37,;2.6,-1.78,;1.69,-2.88,;2.47,-4.15,;3.86,-3.88,;4.88,-2.85,;4.09,-1.55,;2.11,-5.86,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@]1(C[C@H]1c1ccccc1)C(O)=O |wU:29.33,31.37,1.0,wD:29.44,1.13,TLB:15:16:19.18.25:21.22.23,15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.22.23,(10.65,-11.93,;11.99,-12.72,;13.33,-11.93,;13.31,-10.38,;12.3,-9.41,;12.63,-8.04,;13.97,-7.65,;14.29,-6.3,;15.63,-5.9,;16.66,-6.86,;16.32,-8.21,;14.99,-8.61,;10.65,-13.49,;9.31,-12.72,;9.31,-11.18,;7.98,-13.49,;6.65,-12.72,;6.65,-14.26,;6.06,-15.65,;4.26,-14.89,;2.88,-15.35,;3.98,-14.26,;5.32,-15.02,;3.98,-12.72,;5.32,-11.93,;4.26,-13.02,;13.33,-13.49,;13.37,-14.73,;14.67,-12.72,;16,-13.49,;17.09,-14.57,;15.99,-15.24,;15.21,-16.58,;15.97,-17.89,;15.2,-19.23,;13.64,-19.23,;12.88,-17.89,;13.66,-16.56,;17.33,-12.72,;18.67,-13.49,;17.33,-11.18,)|
COC(=O)[C@@]1(C[C@H]1c1ccccc1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:4.14,6.7,16.18,wD:4.3,16.31,TLB:38:33:41:37.39.36,38:37:32.33.34:41,THB:31:32:37.38.39:35.34.41,31:32:41:37.39.36,36:35:32:37.38.39,36:37:32:35.34.41,(15.48,-2.01,;14.14,-2.78,;12.81,-2.01,;12.81,-.47,;11.47,-2.78,;12.56,-3.87,;11.47,-4.54,;10.69,-5.87,;9.13,-5.86,;8.36,-7.19,;9.12,-8.53,;10.67,-8.53,;11.44,-7.2,;10.14,-1.99,;8.81,-2.78,;8.85,-4.02,;7.48,-2.01,;6.14,-1.24,;8.81,-1.24,;8.78,.32,;7.69,1.18,;7.89,2.56,;9.18,3.08,;9.39,4.45,;10.67,4.97,;11.77,4.12,;11.57,2.72,;10.28,2.22,;6.14,-2.78,;4.81,-2.01,;4.81,-.47,;3.48,-2.78,;2.13,-2.01,;.8,-1.24,;-.25,-2.32,;-.25,-4.18,;-1.63,-4.64,;-.53,-3.55,;-.53,-2.01,;.8,-4.32,;2.13,-3.55,;1.55,-4.95,)|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
COC(=O)[C@]1(C[C@H]1c1ccccc1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:4.3,6.7,16.18,wD:4.14,16.31,TLB:31:32:35.34.41:37.38.39,31:32:34:37.38.36,THB:39:40:34:37.38.36,39:37:34:32.40.41,36:37:32:35.34.41,36:35:32:37.38.39,(20.02,-13.17,;18.68,-13.94,;17.35,-13.17,;17.35,-11.63,;16,-13.94,;17.1,-15.02,;16,-15.7,;17.34,-16.47,;18.66,-15.7,;19.98,-16.46,;19.99,-18.01,;18.65,-18.78,;17.33,-18.01,;14.67,-13.17,;13.34,-13.94,;13.31,-15.23,;12,-13.17,;10.66,-12.39,;13.34,-12.38,;13.33,-10.83,;12.28,-9.9,;12.56,-8.52,;13.87,-8.08,;14.16,-6.72,;15.46,-6.27,;16.52,-7.2,;16.25,-8.57,;14.93,-9.01,;10.66,-13.94,;9.33,-13.17,;9.33,-11.63,;8,-13.94,;6.65,-13.17,;6.65,-14.72,;6.06,-16.1,;4.26,-15.35,;2.88,-15.81,;3.98,-14.72,;5.32,-15.48,;3.98,-13.17,;5.32,-12.39,;4.26,-13.48,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(=Cc1ccccc1)C(O)=O |w:30.35,wU:1.0,wD:1.13,THB:15:16:21.23.22:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.65,-11.82,;11.99,-12.6,;13.33,-11.82,;13.3,-10.27,;12.35,-9.24,;12.77,-7.89,;14.15,-7.6,;14.57,-6.27,;15.93,-5.97,;16.88,-7,;16.45,-8.33,;15.09,-8.64,;10.65,-13.37,;9.31,-12.6,;9.31,-11.06,;7.98,-13.37,;6.65,-12.6,;5.32,-11.82,;3.98,-12.6,;3.98,-14.15,;2.88,-15.23,;4.26,-14.78,;4.26,-12.91,;6.06,-15.53,;6.65,-14.15,;5.32,-14.9,;13.33,-13.37,;13.33,-14.92,;14.67,-12.56,;16,-13.37,;16,-14.92,;15.6,-16.4,;14.1,-16.77,;13.69,-18.25,;14.76,-19.34,;16.26,-18.96,;16.66,-17.47,;17.33,-12.6,;18.67,-13.37,;17.33,-11.06,)|
C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:29.33,1.1,TLB:12:13:10.11.16:17,9:10:17:13.19.14,THB:12:11:17:13.19.14,14:15:10:13.12.19,14:13:10:15.16.17,(17.69,-2.7,;17.7,-1.17,;16.35,-1.89,;17.77,.37,;16.46,1.21,;15.02,.67,;14.06,1.84,;12.71,1.11,;12.69,-.4,;11.41,1.9,;10.05,1.16,;8.75,1.95,;7.23,1.72,;7,.2,;5.91,-.89,;7.42,-.56,;7.56,.98,;8.77,-1.31,;9.89,-.23,;8.38,-.49,;14.9,3.15,;14.48,4.63,;15.58,5.71,;17.07,5.31,;17.47,3.85,;16.37,2.75,;19,-1.99,;18.93,-3.54,;20.38,-1.28,;21.66,-2.1,;23.03,-1.38,;24.32,-2.2,;25.69,-1.48,;24.26,-3.74,;21.65,-4.65,;22.94,-5.48,;24.3,-4.76,;25.6,-5.57,;25.55,-7.12,;24.18,-7.82,;22.87,-7.02,)|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1
CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS([O-])(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CNN[C@@H](Cc1ccccc1)C(N)=O)CC(O)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)N[C@H](CNN[C@@H](Cc1ccccc1)C(N)=O)CC(O)=O |w:31.33|
Cc1ccccc1NC(=O)NCCCC[C@@H](CNN[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Cc1ccccc1NC(=O)NCCCC[C@H](NNC[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NNC[C@H](CCCCNC(=O)C=Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33|
Cc1ccccc1NC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:30.32|
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NNC[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1ccc(O)cc1)CNN[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:31.33|
CC(C)(C)OC(=O)N[C@H](CNN[C@@H](CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12 |w:21.21|
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33|
Nc1cc2c(c[nH]1)nc1ccccc21
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3n2C)C1=O)c1ccccc1 |c:9|
Clc1ccc(cc1)C(=O)Nc1cc2c(c[nH]1)nc1ccccc21
O=C(Cc1c[nH]c2ccccc12)Nc1cc2c(c[nH]1)nc1ccccc21
O=C(CCc1ccccc1)Nc1cc2c(c[nH]1)nc1ccccc21
COC(=O)c1cc2c(cn1)[nH]c1ccccc21
CN1c2ccccc2C(=N[C@@H](N)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cc3c(c[nH]2)nc2ccccc32)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@H](N)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 |c:9|
Clc1ccc(NC(=O)Nc2cc3c(c[nH]2)nc2ccccc32)cc1
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cc3c(c[nH]2)nc2ccccc32)C1=O)c1ccccc1 |c:9|
O=C(Cc1ccccc1)Nc1cc2c(c[nH]1)nc1ccccc21
O=C(Nc1cc2c(c[nH]1)nc1ccccc21)c1ccccc1
Cn1c(cc2ccccc12)C(=O)Nc1cc2c(c[nH]1)nc1ccccc21
Cc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1
CC(C)(C)OC(=O)CN1c2ccccc2CCC(NC(=O)Nc2ccc(Cl)cc2)C1=O
CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:14|
COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(O)=O)C2=O)c1
COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1
CN1CCN(CC1)C(=O)CN1c2ccccc2CCC(NC(=O)Nc2cccc3ccccc23)C1=O
CC(C)(C)OC(=O)CN1c2ccccc2CCC(NC(=O)Nc2cccc3ccccc23)C1=O
COc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1
Cc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1
O=C(CN1c2ccccc2CCC(NC(=O)Nc2cccc3ccccc23)C1=O)N1CCCC1
CC(C)(C)OC(=O)CN1c2ccccc2CCC(NC(=O)c2ccc3ccccc3c2)C1=O
Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1
CN1CCN(CC1)C(=O)CN1c2ccccc2CCC(NC(=O)Nc2cccc(C)c2)C1=O
COc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N3CCCC3)C2=O)c1
Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1 |t:10|
Cc1cccc(NC(=O)NC2CCc3ccccc3N(CC(O)=O)C2=O)c1
OC(=O)CN1c2ccccc2CCC(NC(=O)Nc2cccc3ccccc23)C1=O
CN1CCN(CC1)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:19|
FC(F)(F)c1cc(NC(=S)N2NC(=O)[C@@H]([C@H]2c2ccccc2)c2ccccc2)ccc1Cl
Brc1ccc(NC(=O)N2NC(=O)[C@H]([C@@H]2c2ccccc2)c2ccccc2)cc1
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
FC(F)(F)c1cc(NC(=S)N2NC(=O)[C@H]([C@@H]2c2ccccc2)c2ccccc2)ccc1Cl
CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.13,29.33,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,29.33,1.0,wD:1.13,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.95,-4.92,;5.95,-3.38,;5.95,-1.84,;7.06,-.78,;6.14,.47,;7.06,1.72,;8.51,1.24,;9.85,2.01,;11.18,1.24,;11.18,-.3,;9.85,-1.07,;8.51,-.3,;4.65,-4.18,;3.3,-3.41,;3.28,-1.87,;1.97,-4.18,;.43,-4.18,;-.28,-5.53,;-1.76,-6.2,;-2.76,-5.05,;-4.29,-4.73,;-2.63,-4.15,;-1.96,-2.83,;-.55,-3.03,;-2.04,-3.64,;-1.69,-5.21,;7.29,-4.15,;7.29,-5.69,;8.63,-3.38,;9.96,-4.15,;9.96,-5.69,;8.63,-6.46,;9.14,-7.9,;10.65,-8.19,;8.15,-9.06,;6.64,-8.8,;5.63,-9.96,;6.14,-11.4,;4.11,-9.67,;11.29,-3.35,;12.62,-4.12,;13.96,-3.35,;15.28,-4.12,;15.3,-5.66,;13.96,-6.43,;12.62,-5.66,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,15:16:21.23.22:19.18.25,20:21:16:19.18.25,20:19:16:21.23.22,(3.3,-9.92,;4.62,-10.71,;5.96,-9.95,;5.97,-8.41,;5.07,-7.17,;5.98,-5.93,;7.45,-6.4,;8.77,-5.63,;10.11,-6.4,;10.11,-7.94,;8.77,-8.71,;7.44,-7.94,;3.27,-11.46,;1.94,-10.69,;1.97,-9.15,;.61,-11.44,;-.93,-11.44,;-.74,-13,;-1.6,-14.43,;-3.12,-14.03,;-4.59,-14.66,;-3.54,-13.21,;-2.12,-13.53,;-3.73,-11.69,;-2.42,-11.04,;-3.33,-12.42,;5.95,-11.48,;5.93,-13.02,;7.28,-10.71,;8.61,-11.48,;8.61,-13.02,;7.28,-13.79,;7.26,-15.33,;5.93,-16.1,;8.61,-16.1,;8.59,-17.64,;9.94,-18.41,;9.92,-19.95,;11.27,-17.64,;9.95,-10.71,;11.28,-11.48,;11.28,-13.02,;12.61,-13.79,;13.94,-13.02,;13.94,-11.46,;12.61,-10.71,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:1.13,30.35,wD:1.0,TLB:18:19:16.17.22:23,15:16:19.18.25:21.22.23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(3.3,-9.92,;4.62,-10.71,;5.96,-9.95,;5.97,-8.41,;5.07,-7.17,;5.98,-5.93,;7.45,-6.4,;8.77,-5.63,;10.11,-6.4,;10.11,-7.94,;8.77,-8.71,;7.44,-7.94,;3.27,-11.46,;1.94,-10.69,;1.97,-9.15,;.61,-11.44,;-.93,-11.44,;-2.42,-11.04,;-3.73,-11.69,;-3.54,-13.21,;-4.59,-14.66,;-3.12,-14.03,;-3.33,-12.42,;-1.6,-14.43,;-.74,-13,;-2.12,-13.53,;5.95,-11.48,;5.93,-13.02,;7.28,-10.71,;8.61,-11.48,;9.95,-10.71,;9.95,-9.17,;11.28,-8.4,;12.61,-9.18,;11.28,-6.86,;12.62,-6.1,;12.62,-4.56,;13.96,-3.79,;11.29,-3.78,;11.28,-11.48,;11.28,-13.02,;12.61,-13.79,;13.94,-13.02,;13.94,-11.46,;12.61,-10.71,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,1.0,wD:1.13,19.20,23.24,29.33,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.56,-4.95,;5.56,-3.41,;5.56,-1.87,;6.65,-.78,;5.72,.44,;6.65,1.69,;8.1,1.21,;9.44,2.01,;10.76,1.24,;10.76,-.33,;9.44,-1.1,;8.1,-.33,;4.25,-4.18,;2.9,-3.44,;2.87,-1.9,;1.55,-4.21,;.01,-4.21,;-.69,-5.56,;-2.17,-6.2,;-3.17,-5.08,;-4.71,-4.76,;-3.04,-4.18,;-2.36,-2.83,;-.95,-3.03,;-2.46,-3.67,;-2.11,-5.21,;6.88,-4.18,;6.88,-5.72,;8.22,-3.38,;9.54,-4.15,;9.54,-5.69,;8.22,-6.46,;8.74,-7.9,;10.25,-8.19,;7.74,-9.09,;6.23,-8.8,;5.21,-9.99,;5.72,-11.43,;3.7,-9.7,;10.89,-3.38,;12.2,-4.15,;13.55,-3.38,;14.87,-4.12,;14.9,-5.69,;13.55,-6.46,;12.2,-5.69,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:1.13,29.33,wD:1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,15:16:21.23.22:19.18.25,20:21:16:19.18.25,20:19:16:21.23.22,(3.3,-9.92,;4.62,-10.71,;5.96,-9.95,;5.97,-8.41,;5.07,-7.17,;5.98,-5.93,;7.45,-6.4,;8.77,-5.63,;10.11,-6.4,;10.11,-7.94,;8.77,-8.71,;7.44,-7.94,;3.27,-11.46,;1.94,-10.69,;1.97,-9.15,;.61,-11.44,;-.93,-11.44,;-.74,-13,;-1.6,-14.43,;-3.12,-14.03,;-4.59,-14.66,;-3.54,-13.21,;-2.12,-13.53,;-3.73,-11.69,;-2.42,-11.04,;-3.33,-12.42,;5.95,-11.48,;5.93,-13.02,;7.28,-10.71,;8.61,-11.48,;8.61,-13.02,;7.28,-13.79,;7.26,-15.33,;5.93,-16.1,;8.61,-16.1,;8.59,-17.64,;9.94,-18.41,;9.92,-19.95,;11.27,-17.64,;9.95,-10.71,;11.28,-11.48,;11.28,-13.02,;12.61,-13.79,;13.94,-13.02,;13.94,-11.46,;12.61,-10.71,)|
OC(=O)C[C@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wD:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.61,.81,;12.26,-.59,;13.77,-.8,;11.3,-1.8,;11.86,-3.24,;13.38,-3.45,;14.8,-2.8,;14.94,-1.29,;16.33,-.64,;17.59,-1.52,;17.45,-3.08,;16.05,-3.71,;10.91,-4.43,;9.39,-4.22,;8.81,-2.78,;8.44,-5.41,;6.92,-5.2,;5.97,-6.41,;6.39,-7.9,;5.08,-8.76,;3.87,-7.79,;2.36,-8.04,;1.38,-6.85,;1.92,-5.41,;3.43,-5.15,;4.41,-6.34,;9,-6.85,;10.44,-7.39,;10.51,-8.93,;11.84,-6.74,;13.1,-7.65,;13.07,-9.35,;14.56,-9.93,;15.84,-9.25,;15.19,-10.58,;13.61,-10.04,;12.42,-10.56,;13.63,-8.09,;14.54,-6.92,;15.84,-7.69,)|
OC(=O)C[C@@H](Cc1ccccc1)NC(=O)C(NC(=O)OC1C2CC3CC(C2)CC1C3)=Cc1c[nH]c2ccccc12 |wU:4.4,TLB:26:21:29:25.27.24,26:25:20.21.22:29,THB:24:25:20:23.22.29,24:23:20:25.27.26,19:20:29:25.27.24,(11.52,-.26,;12.15,-1.68,;13.66,-1.87,;11.19,-2.89,;11.77,-4.31,;13.29,-4.54,;14.68,-3.89,;14.82,-2.36,;16.22,-1.73,;17.5,-2.61,;17.35,-4.15,;15.94,-4.8,;10.81,-5.52,;9.29,-5.29,;8.73,-3.87,;8.35,-6.5,;8.91,-7.94,;10.35,-8.47,;10.6,-9.98,;11.75,-7.82,;13,-8.71,;12.98,-10.43,;14.47,-11.01,;15.74,-10.33,;15.09,-11.64,;13.52,-11.1,;12.33,-11.64,;13.54,-9.17,;14.45,-7.98,;15.75,-8.78,;6.82,-6.29,;5.87,-7.47,;6.29,-8.96,;5.01,-9.82,;3.79,-8.87,;2.26,-9.12,;1.29,-7.91,;1.85,-6.5,;3.36,-6.24,;4.33,-7.43,)|
OC(=O)C[C@@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wU:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.52,-.26,;12.15,-1.68,;13.66,-1.87,;11.19,-2.89,;11.77,-4.31,;13.29,-4.54,;14.68,-3.89,;14.82,-2.36,;16.22,-1.73,;17.5,-2.61,;17.35,-4.15,;15.94,-4.8,;10.81,-5.52,;9.29,-5.29,;8.73,-3.87,;8.35,-6.5,;6.82,-6.29,;5.87,-7.47,;6.29,-8.96,;5.01,-9.82,;3.79,-8.87,;2.26,-9.12,;1.29,-7.91,;1.85,-6.5,;3.36,-6.24,;4.33,-7.43,;8.91,-7.94,;10.35,-8.47,;10.6,-9.98,;11.75,-7.82,;13,-8.71,;12.98,-10.43,;14.47,-11.01,;15.74,-10.33,;15.09,-11.64,;13.52,-11.1,;12.33,-11.64,;13.54,-9.17,;14.45,-7.98,;15.75,-8.78,)|
C\C=C\CC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C(C)(C)C)C(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)c1
Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2)c1
CC(C)NC(=O)CN1[C@H](C[C@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1C)c1ccccc1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccccc3Cl)C2=O)c2ccccc2)c2ccccc2C)c1
Cc1ccc(NC(=O)CN2[C@H](C[C@H](C[C@@H](NC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2C)c2ccccc2)cc1
CCc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC3(C)CCCCC3)C2=O)c2ccccc2)c2ccccc2C)c1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC3(C)CCCCC3)C2=O)c2ccccc2)c2ccccc2C)c1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2cccc(C)c2)c1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2cccc(F)c2)c2ccccc2)c1
Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2cccc(C)c2)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccccc3C)C2=O)c2ccccc2)c2ccccc2C)c1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccc(F)cc2)c2ccccc2)c1
Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(F)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
COc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
Cc1ccc(cc1)[C@H]1C[C@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N1CC(=O)NC(C)(C)C)c1ccccc1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c2ccccc2)c2ccccc2C)c1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3cccc(Cl)c3)C2=O)c2ccccc2)c2ccccc2C)c1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)c1
CCc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccc(F)cc2)c1
Cc1cccc(NC(=O)N[C@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2)c1
COc1ccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)cc1
Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(c2)[N+]([O-])=O)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
O=C1C(Cc2c[nH]c3ccccc23)CN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12
CC(C)(C)OC(=O)n1cc(CC2CN(Cc3ccccc3)CCC2O)c2ccccc12
O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12
CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)CC1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 |t:9|
O=C1[C@@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
O=C(OCc1ccccc1)N1CCC(=O)C(Cc2ccccc2)C1
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](Cc2ccccc2)NC(=O)C1
CC(C)C[C@H](NC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)C1
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CCc2ccccc2)NC(=O)[C@@H]1CC(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](Cc2ccccc2)NC(=O)C1
CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CC(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)C1
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@H]1CC(O)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(O)=O
CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(O)=O
CCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(O)=O
CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)C1
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C=Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)C1 |w:23.25|
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)[C@@H]1CC(O)=O)c1ccccc1
CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(O)=O
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)C1
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)C1
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](Cc2ccccc2)NC(=O)[C@H]1CC(O)=O
CN1c2ccccc2[C@@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1
CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1
CCS(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)c3ccccc3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)c3ccccc3C)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
CC(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Cc1ccc2[C@@H](Cc3ccccc3)C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1
Cc1ccc2[C@@H](CC3CCCCC3)C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(C)(=O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)C(F)(F)F)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)Nc3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(C)(=O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
CCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(CCC)c2)C1=O)N1CCN(C)CC1 |c:11|
CCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)N1CCN(C)CC1 |c:11|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCNCC1 |c:9|
C[C@H]1CN2C(=N1)[C@H](NC(=O)Nc1cccc(C)c1)N=C(c1ccccc1)c1ccccc21 |c:4,t:20|
CCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCN(C)CC1 |c:11|
CCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(CC)c2)C1=O)N1CCN(C)CC1 |c:11|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCN(CC1)C(=O)OC(C)(C)C |c:9|
CCCN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCN(C)CC1 |c:11|
CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCN(C)CC1 |c:11|
CN1CCN(CC1)C1=NC(NC(=O)Nc2cccc(C)c2)C(=O)N(C)c2ccccc12 |t:8|
CCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(F)(F)F)C1=O)N1CCN(C)CC1 |c:11|
CC(C)C[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Cc1cccc(NC(=O)N[C@H](CSCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
CCCC[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
CC(=O)C1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)Nc1cccc(C)c1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Cc1cccc(NC(=O)N[C@H](CCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](CS(=O)Cc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCOCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
CN(C)C(=O)OC[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCCC(C2)C(=O)Nc2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](COC(=O)Nc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](CS(=O)(=O)Cc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(CC1)C(=O)c1ccccc1 |wU:19.20,23.24,wD:21.28,17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(8.81,-8.94,;9.18,-7.46,;9.26,-5.91,;10.31,-4.78,;11.84,-4.96,;12.48,-3.56,;11.34,-2.53,;11.38,-1,;10.06,-.2,;8.73,-.97,;8.71,-2.49,;10.01,-3.27,;7.8,-8.14,;6.52,-7.3,;6.59,-5.76,;5.2,-8.09,;3.84,-7.35,;3.29,-5.95,;2.01,-5.32,;.94,-6.35,;-.8,-6.39,;.54,-7.16,;1.12,-8.57,;2.75,-8.41,;1.53,-7.64,;1.68,-6.06,;10.47,-8.29,;10.38,-9.83,;11.84,-7.59,;12.89,-6.46,;14.33,-7.44,;15.66,-7.31,;14.61,-8.46,;13.09,-7.46,;16.79,-8.38,;16.42,-9.88,;18.25,-7.94,;18.6,-6.45,;20.08,-6,;21.21,-7.07,;20.85,-8.57,;19.37,-9,)|
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)c1ccccc1
CC(C)C[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Cc1cccc(NC(=O)N[C@H](CCC(O)=O)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](CCCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccccc2)CC1
C[C@@H](OCc1ccccc1)[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Cc1cccc(NC(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)c1
Cc1cccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(CC2)NC(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)c1
Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:11|
CCC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:16|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCC3)C2=O)c1 |t:11|
CC(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:14|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)CC3CCCCC3)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCCC3)C2=O)c1 |t:11|
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
Cc1cccc(NCNC2N=C(c3ccn[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:10|
Cc1cccc(NCNC2N=C(c3nccs3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:10|
Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3nccn3C)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3cccnc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3ncc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3cnc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3cnccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OCC(=O)NCCCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6](-[#7]-[#6](=O)-[#7]-c2cccc(-[#6])c2)-[#6]-1=O)-c1cccc(-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c2csc(\[#7]=[#6](/[#7])-[#7])n2)c1 |c:9|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OCC(=O)NCCCCCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9|
[#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]-2-[#7]=[#6](-c3ccccc3)-c3ccccc3-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)-[#6]-2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11|
[#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]-2-[#7]=[#6](-c3ccccc3)-c3ccccc3-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)-[#6]-2=O)c1 |t:11|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6@@H](-[#7]-[#6](=O)-[#7]-c2cccc(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](/[#7])-[#7])n3)c2)-[#6]-1=O)-c1ccccc1 |c:9|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6@@H](-[#7]-[#6](=O)-[#7]-c2cccc(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)c2)-[#6]-1=O)-c1ccccc1 |c:9|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6](-[#7]-[#6](=O)-[#7]-c2cccc(-[#6])c2)-[#6]-1=O)-c1cccc(-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c2csc(\[#7]=[#6](/[#7])-[#7])n2)c1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OCC(=O)NCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6](-[#7]-[#6](=O)-[#7]-c2cccc(-[#6])c2)-[#6]-1=O)-c1cccc(-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c2csc(\[#7]=[#6](/[#7])-[#7])n2)c1 |c:9|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6@@H](-[#7]-[#6](=O)-[#7]-c2cccc(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)c2)-[#6]-1=O)-c1ccccc1 |c:9|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6@@H](-[#7]-[#6](=O)-[#7]-c2cccc(c2)-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c2csc(\[#7]=[#6](\[#7])-[#7])n2)-[#6]-1=O)-c1ccccc1 |c:9|
[#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]-2-[#7]=[#6](-c3ccccc3)-c3ccccc3-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](/[#7])-[#7])n3)-[#6]-2=O)c1 |t:11|
[#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]-2-[#7]=[#6](-c3ccccc3)-c3ccccc3-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)-[#6]-2=O)c1 |t:11|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)C(=O)NCCCOc2cccc(CN3CCCCC3)c2)C1=O)c1ccccc1 |c:9|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6](-[#7]-[#6](=O)-[#7]-c2cccc(-[#6])c2)-[#6]-1=O)-c1cccc(-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c2csc(\[#7]=[#6](\[#7])-[#7])n2)c1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OCC(=O)NCCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9|
[#6]-[#7]-1-c2ccccc2-[#6](=[#7]-[#6@@H](-[#7]-[#6](=O)-[#7]-c2cccc(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](/[#7])-[#7])n3)c2)-[#6]-1=O)-c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9|
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCSCc2csc(CC(N)=N)n2)c1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(CC3)C(=O)CNCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(CC(N)=N)n3)C2=O)c1 |t:11|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(CC3)C(=O)CNCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
[H][C@]12CC[C@@](C)([C@@H](C1)OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)C2(C)C |TLB:8:6:3.2:43|
COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:45:44:47:39.40.41,45:40:47:46.44.43,THB:43:42:39:46.44.45,43:44:39:47.42.41|
COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:45:44:47:39.40.41,45:40:47:46.44.43,THB:43:42:39:46.44.45,43:44:39:47.42.41|
COC(=O)[C@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](CC(O)=O)(C(=O)[C@H](N)Cc1ccccc1)C2=O
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](Cc1ccccc1)(C(N)=O)C2=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@](Cc1ccccc1)(C(N)=O)C2=O
COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@](CC(O)=O)(C(=O)[C@H](N)Cc1ccccc1)C2=O
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1C[C@@](Cc1ccccc1)(C(N)=O)C2=O
CC(Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:31.36,TLB:19:20:17.18.23:24,16:17:24:20.26.21,THB:19:18:24:20.26.21,21:20:17:22.23.24,21:22:17:20.19.26,(2.64,-1.53,;2.65,-3.07,;3.06,-4.55,;2.65,-6.03,;1.61,-6.97,;1.9,-8.32,;3.23,-8.76,;3.51,-10.12,;4.84,-10.56,;5.88,-9.63,;7.2,-10.11,;5.59,-8.27,;4.27,-7.83,;1.32,-3.85,;-.02,-3.09,;-.04,-1.55,;-1.35,-3.88,;-2.69,-4.65,;-4.02,-3.86,;-5.34,-4.65,;-5.34,-6.19,;-6.16,-7.8,;-4.59,-7.52,;-4.59,-5.11,;-3.07,-7.95,;-2.69,-6.19,;-4.02,-6.94,;3.98,-3.83,;4,-5.37,;5.31,-3.04,;6.66,-3.81,;7.99,-3.02,;9.33,-3.78,;10.66,-3,;10.63,-1.46,;12,-3.74,;13.32,-2.97,;14.67,-3.72,;14.67,-5.26,;16,-2.95,;7.97,-1.48,;6.63,-.73,;6.62,.81,;7.95,1.6,;9.28,.83,;9.3,-.7,)|
Fc1ccc2[nH]cc(CC(NC(=O)OC3C4CC5CC(C4)CC3C5)C(=O)NC[C@H](NC(=O)CCC(=O)OCc3ccccc3)c3ccccc3)c2c1 |TLB:13:14:16:19.20.18,THB:21:22:16:19.20.18,21:19:16:14.22.23,18:17:14:19.20.21,18:19:14:17.16.23|
O=C(NC1(CC2(C1)Cc1cccc3cccc(C2)c13)C(=O)NCCc1ccccc1)OC1C2CC3CC(C2)CC1C3 |TLB:30:31:33:36.37.35,THB:38:39:33:36.37.35,38:36:33:31.39.40,35:34:31:36.37.38,35:36:31:34.33.40,(6.59,-4.11,;6.59,-5.65,;7.94,-6.42,;9.27,-5.63,;8.17,-4.53,;9.26,-3.45,;10.36,-4.53,;10.6,-2.69,;10.62,-1.15,;11.95,-.4,;11.98,1.16,;10.62,1.93,;9.29,1.16,;7.99,1.93,;6.66,1.18,;6.66,-.36,;7.96,-1.13,;7.92,-2.64,;9.29,-.36,;10.6,-6.4,;10.62,-7.94,;11.93,-5.61,;13.28,-6.38,;14.59,-5.58,;15.94,-6.35,;17.25,-5.56,;18.6,-6.31,;18.63,-7.87,;17.3,-8.64,;15.94,-7.89,;5.28,-6.45,;3.93,-7.22,;2.6,-6.42,;1.27,-7.22,;1.27,-8.76,;.45,-10.37,;2.04,-10.09,;2.04,-7.68,;3.55,-10.53,;3.93,-8.76,;2.6,-9.5,)|
C[C@](Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:1.14,31.36,wD:1.0,TLB:19:20:17.18.23:24,16:17:24:20.26.21,THB:19:18:24:20.26.21,21:20:17:22.23.24,21:22:17:20.19.26,(4.86,-1.41,;4.86,-2.95,;5.28,-4.44,;4.86,-5.91,;3.81,-6.83,;4.09,-8.2,;5.42,-8.65,;5.68,-10.02,;7,-10.47,;8.06,-9.53,;9.37,-10.04,;7.78,-8.17,;6.45,-7.71,;3.53,-3.74,;2.2,-2.97,;2.18,-1.43,;.87,-3.76,;-.47,-4.53,;-1.8,-3.74,;-3.12,-4.53,;-3.12,-6.07,;-3.94,-7.68,;-2.37,-7.4,;-2.37,-5,;-.86,-7.85,;-.47,-6.07,;-1.8,-6.83,;6.21,-3.71,;6.22,-5.25,;7.53,-2.93,;8.88,-3.69,;10.2,-2.9,;11.54,-3.67,;12.87,-2.88,;12.85,-1.34,;14.22,-3.63,;15.53,-2.86,;16.89,-3.6,;16.89,-5.14,;18.21,-2.83,;10.19,-1.36,;8.85,-.61,;8.83,.93,;10.16,1.72,;11.49,.95,;11.52,-.58,)|
OC(=O)CCC(=O)N[C@@H](CNC(=O)C1(Cc2ccccc2C1)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |wU:8.7,TLB:35:34:32:29.28.30,THB:35:29:26.34.33:32,25:26:32:29.28.30,30:29:26:31.33.32,30:31:26:29.28.35,(19.26,-8.24,;19.26,-6.7,;20.59,-5.93,;17.9,-5.95,;16.6,-6.72,;15.24,-5.97,;15.22,-4.43,;13.91,-6.75,;12.58,-6,;11.25,-6.77,;9.9,-6.02,;8.59,-6.8,;8.59,-8.34,;7.24,-6.03,;8.57,-5.26,;8.24,-3.76,;9.15,-2.5,;8.52,-1.1,;6.98,-.96,;6.09,-2.2,;6.72,-3.6,;6.1,-5,;5.91,-6.82,;4.58,-6.07,;4.56,-4.53,;3.25,-6.84,;1.92,-7.61,;.59,-6.84,;.01,-8.08,;.01,-10.48,;-1.56,-10.76,;-.74,-9.15,;-.74,-7.61,;.59,-9.92,;1.92,-9.15,;1.52,-10.94,;12.56,-4.46,;13.89,-3.67,;13.87,-2.15,;12.54,-1.38,;11.21,-2.17,;11.23,-3.71,)|
CC(Cc1c[nH]c2ccc(F)cc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)OCc1ccccc1)c1ccccc1 |TLB:19:20:17.18.23:24,16:17:24:20.26.21,THB:19:18:24:20.26.21,21:20:17:22.23.24,21:22:17:20.19.26|
OC(=O)CCC(=O)N[C@@H](CNC(=O)C(Cc1c[nH]c2ccc(F)cc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |wU:8.7,TLB:28:29:31:34.35.33,THB:36:37:31:34.35.33,36:34:31:29.37.38,33:32:29:34.35.36,33:34:29:32.31.38,(13.05,-4.33,;13.05,-2.79,;14.36,-2.02,;11.7,-2.04,;10.37,-2.81,;9.03,-2.06,;9.02,-.52,;7.71,-2.85,;6.36,-2.09,;5.04,-2.87,;3.7,-2.11,;2.37,-2.89,;2.39,-4.43,;1.03,-2.13,;1.43,-3.62,;1.03,-5.1,;.02,-6.07,;.36,-7.42,;1.7,-7.8,;2.03,-9.16,;3.37,-9.55,;4.39,-8.57,;5.72,-9.02,;4.05,-7.22,;2.71,-6.85,;-.3,-2.92,;-1.65,-2.16,;-1.65,-.61,;-2.96,-2.94,;-4.31,-3.71,;-5.64,-2.93,;-6.97,-3.71,;-6.97,-5.25,;-7.79,-6.86,;-6.2,-6.58,;-6.2,-4.18,;-4.68,-7.03,;-4.31,-5.25,;-5.64,-6.01,;6.35,-.54,;5,.2,;4.99,1.74,;6.33,2.54,;7.66,1.77,;7.68,.23,)|
CC(Cc1ccc(Oc2ccccc2)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 |wU:33.37,wD:36.41,TLB:19:20:27:23.29.24,22:23:20.21.26:27,THB:24:25:20:23.22.29,24:23:20:25.26.27,22:21:27:23.29.24,(7.63,-1.82,;7.65,-3.37,;8.03,-4.85,;7.63,-6.34,;8.61,-7.3,;8.25,-8.66,;6.91,-9.03,;6.53,-10.38,;5.18,-10.74,;4.82,-12.09,;3.48,-12.45,;2.49,-11.46,;2.85,-10.1,;4.21,-9.75,;5.9,-8.04,;6.27,-6.69,;6.32,-4.15,;4.96,-3.4,;4.96,-1.86,;3.65,-4.17,;2.3,-4.94,;.97,-4.17,;-.37,-4.94,;-.37,-6.48,;-1.18,-8.1,;.41,-7.82,;.41,-5.41,;1.93,-8.28,;2.3,-6.48,;.97,-7.26,;8.99,-4.12,;9.01,-5.67,;10.32,-3.34,;11.67,-4.1,;11.68,-5.64,;13.01,-6.41,;12.98,-3.32,;12.98,-1.78,;14.34,-4.08,;14.34,-5.62,;15.69,-6.38,;17.02,-5.6,;17,-4.05,;15.65,-3.3,)|
CC(Cc1ccc2c(c1)C(C)(C)CCC2(C)C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |TLB:27:22:30:26.28.25,27:26:21.22.23:30,THB:20:21:30:26.28.25,25:24:21:26.28.27,25:26:21:24.23.30,(10.32,.37,;10.32,-1.17,;10.74,-2.67,;10.34,-4.16,;11.67,-4.92,;11.67,-6.47,;10.34,-7.24,;9.01,-6.47,;9.01,-4.93,;7.68,-7.22,;6.91,-5.89,;6.35,-7.99,;7.68,-8.76,;9.01,-9.53,;10.34,-8.77,;11.09,-10.1,;11.81,-8.36,;9.01,-1.97,;7.66,-1.21,;7.65,.33,;6.33,-1.99,;5,-2.76,;3.67,-1.98,;3.1,-3.23,;3.1,-5.63,;1.52,-5.91,;2.34,-4.3,;2.34,-2.76,;3.67,-5.06,;5,-4.3,;4.62,-6.07,;11.67,-1.94,;11.69,-3.48,;13,-1.15,;14.33,-1.92,;15.66,-1.13,;17.01,-1.9,;18.32,-1.1,;19.65,-1.87,;19.68,-3.41,;18.35,-4.18,;17.02,-3.44,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 |wU:29.33,1.0,wD:1.13,32.37,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(9.57,-2.06,;9.57,-3.6,;9.97,-5.08,;9.57,-6.55,;8.49,-7.44,;8.72,-8.82,;10.04,-9.31,;10.26,-10.69,;11.58,-11.18,;12.66,-10.27,;12.42,-8.89,;11.11,-8.42,;8.25,-4.38,;6.91,-3.63,;6.9,-2.09,;5.57,-4.4,;4.24,-5.18,;4.24,-6.72,;3.86,-8.5,;2.34,-8.05,;.76,-8.33,;1.57,-6.72,;2.91,-7.49,;1.57,-5.18,;2.91,-4.4,;2.34,-5.64,;10.93,-4.36,;10.94,-5.9,;12.25,-3.58,;13.59,-4.33,;13.62,-5.88,;14.95,-6.65,;14.93,-3.55,;14.9,-2,;16.27,-4.31,;16.28,-5.85,;17.61,-6.62,;18.95,-5.83,;18.92,-4.29,;17.59,-3.53,)|
CC(=O)Nc1nc(CC(C)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)NCCc2ccccc2)cs1 |TLB:16:17:21:14.15.20,13:14:21:17.23.18,THB:16:15:21:17.23.18,18:17:14:19.21.20,18:19:14:17.16.23,(5.68,-7.68,;7.05,-7.99,;7.47,-9.32,;7.99,-6.95,;7.57,-5.62,;8.5,-4.58,;6.72,-2.96,;7.12,-1.48,;6.7,.02,;6.7,1.56,;5.39,-.78,;4.04,-.02,;4.04,1.52,;2.71,-.8,;1.38,-1.57,;1.38,-3.11,;1,-4.88,;-.51,-4.44,;-2.09,-4.72,;-1.28,-3.11,;.05,-3.87,;-1.28,-1.57,;.05,-.79,;-.51,-2.04,;8.06,-.75,;8.07,-2.29,;9.38,.04,;10.72,-.73,;12.05,.06,;13.39,-.71,;14.71,.09,;16.04,-.68,;16.06,-2.22,;14.73,-2.99,;13.4,-2.25,;5.77,-4,;6.19,-5.33,)|
CC(Cn1nnc2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.23.22,20:21:16:19.18.25,(11.14,-7.78,;11.15,-9.32,;11.56,-10.81,;10.79,-12.14,;9.69,-13.03,;9.92,-14.4,;11.23,-14.89,;11.46,-16.26,;12.77,-16.76,;13.84,-15.87,;13.63,-14.5,;12.32,-14.01,;9.83,-10.11,;8.48,-9.36,;8.48,-7.82,;7.16,-10.13,;5.82,-10.9,;5.82,-12.44,;5.44,-14.22,;3.93,-13.77,;2.34,-14.05,;3.16,-12.44,;4.49,-13.21,;3.16,-10.9,;4.49,-10.13,;3.93,-11.37,;12.49,-10.09,;12.51,-11.63,;13.82,-9.29,;15.17,-10.06,;16.48,-9.27,;17.83,-10.04,;19.14,-9.25,;20.49,-10.01,;20.51,-11.56,;19.16,-12.33,;17.83,-11.58,)|
CN(C)C(=O)c1oc2ccccc2c1CC(C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |TLB:27:22:30:26.28.25,27:26:21.22.23:30,THB:25:26:21:24.23.30,25:24:21:26.28.27,20:21:30:26.28.25|
Cc1noc(C)c1CC(C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |TLB:20:15:23:19.21.18,20:19:14.15.16:23,THB:18:17:14:19.21.20,18:19:14:17.16.23,13:14:23:19.21.18,(13.13,-9.51,;11.66,-9.07,;10.63,-10.02,;9.29,-9.6,;8.99,-8.24,;7.67,-7.81,;10.02,-7.29,;10.8,-5.96,;10.39,-4.48,;10.38,-2.94,;9.07,-5.26,;7.71,-4.51,;7.71,-2.97,;6.4,-5.28,;5.05,-6.06,;3.72,-5.28,;3.16,-6.52,;3.16,-8.93,;1.57,-9.21,;2.39,-7.6,;2.39,-6.06,;3.72,-8.37,;5.05,-7.6,;4.68,-9.37,;11.73,-5.24,;11.75,-6.78,;13.06,-4.46,;14.41,-5.21,;15.72,-4.44,;17.08,-5.19,;18.38,-4.41,;19.73,-5.17,;19.75,-6.71,;18.42,-7.48,;17.08,-6.73,)|
Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F |c:38,(-2.3,-7.31,;-2.28,-8.86,;-3.61,-9.64,;-3.61,-11.2,;-2.28,-11.97,;-.93,-11.18,;-.93,-9.63,;.21,-8.61,;-.44,-7.18,;.47,-5.93,;2.01,-6.09,;-.18,-4.53,;.84,-3.34,;.52,-1.83,;-.86,-1.13,;-2.24,-1.77,;-2.61,-3.26,;-1.14,-3.66,;-.93,-2.15,;-1.69,-4.49,;1.78,-9.01,;2.73,-7.8,;2.46,-10.4,;3.79,-9.62,;5.14,-10.36,;5.14,-11.9,;6.46,-9.59,;8,-9.59,;8.75,-10.91,;10.27,-10.91,;11.04,-9.59,;10.27,-8.24,;11.04,-6.93,;8.73,-8.26,;1.78,-11.8,;.29,-12.13,;-.05,-13.63,;-1.53,-14.12,;-1.88,-15.63,;-.72,-16.68,;.75,-16.19,;1.1,-14.69,;2.55,-14.21,)|
CSc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(8.7,-.09,;7.17,-.12,;6.41,-1.43,;7.17,-2.77,;6.41,-4.09,;4.89,-4.09,;4.13,-2.78,;2.59,-2.78,;1.28,-3.54,;1.29,-5.08,;-.06,-2.8,;-1.4,-3.58,;-2.07,-4.98,;-3.55,-5.3,;-3.9,-6.8,;-5.37,-7.29,;-5.72,-8.79,;-4.58,-9.84,;-3.09,-9.36,;-2.76,-7.86,;-1.3,-7.38,;-4.77,-4.36,;-6.11,-5.15,;-7.45,-4.38,;-7.45,-2.82,;-6.11,-2.05,;-6.13,-.5,;-4.77,-2.82,;-3.65,-1.79,;-4.28,-.37,;-3.39,.88,;-1.85,.72,;-4.03,2.27,;-3.02,3.46,;-3.32,4.97,;-4.69,5.67,;-6.09,5.04,;-6.46,3.54,;-4.98,3.14,;-4.77,4.65,;-5.54,2.32,;-2.07,-2.19,;-1.13,-.99,;4.87,-1.45,)|
Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)C(O)=O)N=C2c1ccccc1F |c:40,(-1.23,-7.79,;-1.21,-9.34,;-2.54,-10.13,;-2.54,-11.67,;-1.21,-12.44,;.15,-11.67,;.15,-10.11,;1.28,-9.08,;.64,-7.66,;1.54,-6.42,;3.08,-6.56,;.89,-5,;-.62,-4.97,;-1.54,-3.74,;-.07,-4.14,;.15,-2.62,;1.59,-2.31,;.22,-1.59,;-1.17,-2.25,;1.91,-3.81,;2.85,-9.48,;3.8,-8.27,;3.52,-10.88,;4.86,-10.09,;6.21,-10.83,;6.21,-12.37,;7.54,-10.06,;9.08,-10.06,;9.83,-11.39,;11.35,-11.39,;12.12,-10.06,;11.35,-8.73,;9.81,-8.75,;12.12,-7.4,;13.66,-7.38,;11.32,-6.07,;2.85,-12.28,;1.36,-12.61,;1.03,-14.11,;-.46,-14.59,;-.81,-16.11,;.35,-17.16,;1.83,-16.67,;2.17,-15.17,;3.62,-14.68,)|
Fc1ccccc1C1=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:11,(11,-6.73,;10.23,-8.06,;11,-9.39,;10.23,-10.71,;8.7,-10.71,;7.96,-9.39,;6.61,-8.62,;5.28,-9.39,;5.3,-10.93,;3.94,-8.64,;2.6,-9.42,;1.92,-10.82,;.44,-11.15,;.1,-12.65,;-1.37,-13.13,;-1.73,-14.65,;-.58,-15.7,;.89,-15.22,;1.24,-13.72,;2.71,-13.24,;-.77,-10.2,;-2.12,-11,;-3.47,-10.23,;-3.47,-8.66,;-2.12,-7.89,;-.77,-8.66,;.36,-7.63,;-.28,-6.21,;.61,-4.95,;2.15,-5.11,;,-3.55,;.99,-2.36,;.68,-.85,;-.7,-.15,;-2.09,-.79,;-2.47,-2.29,;-1,-2.67,;-.77,-1.17,;-1.54,-3.51,;1.92,-8.03,;2.88,-6.82,;8.7,-8.06,)|
Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Br)c1)N=C2c1ccccc1F |c:38,(1.92,-5.86,;1.94,-7.42,;.61,-8.19,;.61,-9.76,;1.94,-10.53,;3.3,-9.73,;3.3,-8.17,;4.42,-7.16,;3.79,-5.74,;4.67,-4.49,;6.21,-4.64,;4.04,-3.09,;5.06,-1.9,;4.74,-.38,;3.37,.32,;1.98,-.33,;1.59,-1.82,;3.08,-2.22,;3.3,-.71,;2.53,-3.04,;6,-7.56,;6.95,-6.35,;6.67,-8.96,;8.01,-8.17,;9.35,-8.92,;9.36,-10.46,;10.68,-8.15,;12.22,-8.15,;12.97,-9.47,;14.49,-9.47,;15.26,-8.14,;14.49,-6.79,;15.25,-5.48,;12.95,-6.82,;6,-10.35,;4.51,-10.68,;4.16,-12.18,;2.69,-12.67,;2.34,-14.18,;3.5,-15.23,;4.98,-14.75,;5.32,-13.25,;6.77,-12.76,)|
COc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(17.75,-5.91,;16.21,-5.93,;15.45,-7.26,;16.22,-8.59,;15.45,-9.92,;13.93,-9.92,;13.16,-8.61,;11.62,-8.61,;10.31,-9.38,;10.32,-10.92,;8.96,-8.63,;7.63,-9.41,;6.95,-10.81,;5.47,-11.13,;5.12,-12.65,;3.65,-13.13,;3.3,-14.63,;4.44,-15.68,;5.92,-15.21,;6.26,-13.7,;7.72,-13.22,;4.24,-10.2,;2.9,-10.99,;1.56,-10.22,;1.56,-8.66,;2.9,-7.87,;2.88,-6.33,;4.24,-8.64,;5.37,-7.61,;4.73,-6.19,;5.63,-4.95,;7.17,-5.09,;4.99,-3.55,;6,-2.36,;5.7,-.85,;4.24,-1.17,;4.04,-2.67,;2.55,-2.27,;2.92,-.78,;4.32,-.14,;3.48,-3.51,;6.95,-8.02,;7.89,-6.81,;13.91,-7.29,)|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:11,(9.11,-4.37,;8.34,-5.7,;9.11,-7.02,;8.37,-8.34,;6.84,-8.37,;6.07,-7.02,;4.53,-7.02,;3.22,-7.79,;3.22,-9.35,;1.87,-7.06,;.52,-7.82,;-.13,-9.24,;-1.62,-9.58,;-1.97,-11.08,;-3.45,-11.55,;-3.79,-13.05,;-2.65,-14.11,;-1.18,-13.62,;-.83,-12.13,;.64,-11.66,;-2.84,-8.63,;-4.19,-9.4,;-5.54,-8.63,;-5.54,-7.09,;-4.19,-6.29,;-4.2,-4.75,;-2.84,-7.06,;-1.72,-6.04,;-2.35,-4.62,;-1.45,-3.36,;.08,-3.53,;-2.07,-1.97,;-1.09,-.8,;-1.4,.71,;-2.84,.39,;-3.05,-1.1,;-4.54,-.71,;-4.16,.77,;-2.77,1.41,;-3.61,-1.93,;-.16,-6.44,;.82,-5.23,;6.83,-5.72,)|
CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:13,(12.91,-6.84,;11.37,-6.87,;10.58,-5.54,;10.6,-8.2,;11.37,-9.53,;10.6,-10.86,;9.08,-10.86,;8.33,-9.54,;6.79,-9.54,;5.47,-10.31,;5.47,-11.85,;4.11,-9.57,;2.78,-10.34,;2.11,-11.74,;.61,-12.07,;.28,-13.59,;-1.21,-14.07,;-1.56,-15.57,;-.4,-16.62,;1.08,-16.14,;1.42,-14.64,;2.88,-14.16,;-.6,-11.14,;-1.95,-11.92,;-3.28,-11.15,;-3.28,-9.6,;-1.95,-8.8,;-1.98,-7.26,;-.6,-9.57,;.54,-8.55,;-.11,-7.12,;.79,-5.89,;2.33,-6.03,;.15,-4.48,;-1.37,-4.44,;-2.29,-3.2,;-1.91,-1.71,;-.53,-1.07,;.85,-1.78,;-.6,-2.1,;-.81,-3.6,;1.17,-3.29,;2.11,-8.96,;3.06,-7.75,;9.06,-8.22,)|
CC(C)Oc1cccc(c1)-n1c(CNC(=O)NCc2ccc(Br)cc2)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(CNC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(CNC(=S)Nc2ccc(Br)cc2)nc2ccccc2c1=O
CCOC(=O)c1cccc(NC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1
CC(C)Oc1cccc(c1)-n1c(CNC(=O)Nc2ccc(cc2)C(F)(F)F)nc2ccccc2c1=O
CC(C)Oc1cccc(c1)-n1c(CNC(=O)NS(=O)(=O)c2ccc(C)cc2)nc2ccccc2c1=O
Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)CC(=O)N\C=C\c1ccccc1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2CCCCc2[nH]1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=NC2CCCC2C1 |t:25|
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccs1
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccccc12
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12
Cn1c(cc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Cc1ccc2[nH]c(cc2c1)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Cc1c([nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Cc1cccc2cc([nH]c12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(c2[nH]1)C(F)(F)F
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(ccc2[nH]1)[N+]([O-])=O
Cn1c(cc2cc(ccc12)[N+]([O-])=O)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1
OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2[nH]1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1
OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1 |r|
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1 |r|
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2s1
CC1=C(Cc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O |t:1|
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nc2ccccc2[nH]1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2C1 |t:25|
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cnc2ccccc2c1
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nccc2ccccc12
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r|
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O |r|
CC(C)N(C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Nc2cccc(c2)C(O)=O)C1=O
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Nc2ccccc2)C1=O
CC(C)N(C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2ccccc2)C1=O)c1ccccc1
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Oc2ccccc2)C1=O
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(c2n[nH]c3ccccc23)C1=O
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@@H](c2c[nH]c3ccccc23)C1=O |r|
COc1cccc(c1)-c1nc(cnc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1cccc(c1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1cccc(c1)-c1cc(cnc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1cccc(c1)-c1ccc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1ccccc1-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
CCOc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
CCOc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1OC)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Cc1ccc(cc1)-c1nc(ncc1-c1ccc(O)c(O)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Cc1ccc(cc1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccccc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccccc1C)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1cccc(C)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccccc1Cl)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1cccc(F)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccccc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc2ccccc2cn1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ncccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccoc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2cc[nH]c2c1
COC(=O)c1cc2ccccc2cc1N1CCN(CC1)C(=O)c1ncc(-c2ccc(OC)cc2)c(n1)-c1ccc(C)cc1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc2ccccc2cc1C(O)=O
COC(=O)c1cc(cc2ccccc12)N1CCN(CC1)C(=O)c1ncc(-c2ccc(OC)cc2)c(n1)-c1ccc(C)cc1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
OC(=O)C(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
OC(=O)C(CCCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
ONC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
OC(=O)C(CCc1ccccc1)C(=O)Nc1ccccc1NC(=O)c1cc2ccccc2[nH]1
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |c:27|
C[C@H](NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)NCCc1ccccc1 |c:20|
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C
CN1CCN(CC1)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Clc1cc(Cl)cc(c1)C(=O)NC(CCC(=O)NCCN1CCOCC1)C(=O)N1CCC2(CCCC2)CC1
CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc2ccccc2c1
CN1CCN(CCNC(=O)CCC(NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1
CN1CCN(CC1)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCCC2)CC1
OC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
CN1CCN(CC1)C(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC(C)(C)C
CCCCCN(CCCCC)C(=O)[C@@H](CCCC(O)=O)NC(=O)c1ccc2ccccc2c1
CCN(CC)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc(Cl)c(Cl)c1
CN(C)CCNC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N)cc1 |wU:1.0,wD:1.13,29.33,TLB:22:17:25:21.23.20,22:21:16.17.18:25,15:16:21.23.22:19.18.25,THB:20:21:16:19.18.25,20:19:16:21.23.22,15:16:25:21.23.20,(3.41,-9.92,;4.74,-10.71,;6.07,-9.95,;6.09,-8.41,;5.19,-7.17,;6.1,-5.93,;7.57,-6.4,;8.89,-5.63,;10.23,-6.4,;10.23,-7.94,;8.89,-8.71,;7.56,-7.94,;3.39,-11.46,;2.06,-10.69,;2.08,-9.15,;.73,-11.44,;-.81,-11.44,;-.62,-13,;-2,-13.53,;-3.42,-13.21,;-4.47,-14.66,;-3,-14.03,;-1.49,-14.43,;-3.21,-12.42,;-2.3,-11.04,;-3.61,-11.69,;6.07,-11.48,;6.05,-13.02,;7.4,-10.71,;8.73,-11.48,;8.73,-13.02,;10.06,-13.79,;10.06,-15.33,;8.73,-14.54,;10.06,-10.71,;11.39,-11.48,;11.39,-13.02,;12.72,-13.79,;14.05,-13.02,;15.38,-13.79,;14.05,-11.46,;12.72,-10.71,)|
OS(=O)(=O)Oc1ccc(CCNC(=O)C(CC(=O)NCCc2ccccc2)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)cc1 |TLB:43:44:48:41.42.47,40:41:48:44.50.45,THB:43:42:48:44.50.45,45:46:41:44.43.50,45:44:41:46.48.47,(14.75,-3.3,;13.26,-3.7,;12.65,-2.28,;13.87,-5.12,;11.94,-4.49,;11.95,-6.03,;10.62,-6.83,;10.64,-8.35,;11.99,-9.1,;12,-10.64,;10.67,-11.44,;10.69,-12.98,;9.36,-13.77,;8.02,-13,;9.37,-15.32,;10.71,-14.55,;12.05,-15.32,;12.05,-16.86,;13.38,-14.55,;14.71,-15.32,;16.06,-14.55,;17.39,-15.31,;18.73,-14.55,;20.06,-15.31,;20.06,-16.84,;18.72,-17.61,;17.39,-16.84,;8.04,-14.55,;6.71,-15.32,;6.53,-16.85,;5.03,-17.18,;4.26,-15.83,;2.77,-15.53,;2.28,-14.07,;3.3,-12.93,;4.82,-13.24,;5.29,-14.7,;9.37,-16.86,;9.37,-18.4,;8.03,-19.18,;10.71,-19.18,;12.25,-19.17,;13.09,-17.89,;14.64,-17.38,;15.51,-18.63,;16.99,-19.1,;15.29,-19.5,;14.45,-18.37,;14.48,-20.76,;13.1,-20.41,;14.64,-19.95,;13.31,-8.33,;13.3,-6.79,)|
O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccccc1 |TLB:17:18:20:23.24.22,THB:25:26:20:23.24.22,25:23:20:18.26.27,22:21:18:23.25.24,22:23:18:21.20.27,(12.05,-14.95,;12.05,-13.41,;10.72,-12.63,;9.38,-13.41,;8.04,-12.63,;6.71,-13.41,;6.53,-14.95,;5.03,-15.28,;4.26,-13.94,;2.77,-13.62,;2.28,-12.17,;3.3,-11.02,;4.82,-11.34,;5.29,-12.8,;9.38,-14.95,;9.38,-16.49,;8.04,-17.26,;10.72,-17.26,;12.25,-17.26,;13.1,-15.99,;14.64,-15.48,;15.51,-16.73,;17,-17.19,;15.3,-17.61,;14.46,-16.47,;14.48,-18.85,;13.1,-18.5,;14.64,-18.05,;9.36,-11.86,;8.02,-11.09,;10.69,-11.07,;10.67,-9.52,;12,-8.74,;11.99,-7.2,;10.65,-6.45,;10.62,-4.92,;11.96,-4.12,;13.3,-4.89,;13.31,-6.41,;13.38,-12.63,;14.71,-13.41,;16.06,-12.63,;17.4,-13.41,;17.4,-14.95,;18.73,-15.72,;20.07,-14.95,;20.06,-13.41,;18.73,-12.63,)|
Oc1ccc(CCNC(=O)CC(Cc2c[nH]c3ccccc23)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)NCCc2ccccc2)cc1 |TLB:25:26:28:31.32.30,THB:33:34:28:31.32.30,33:31:28:26.34.35,30:29:26:31.33.32,30:31:26:29.28.35,(20.72,-15.7,;19.37,-14.93,;18.04,-15.71,;16.7,-14.94,;16.7,-13.41,;15.37,-12.63,;14.03,-13.41,;12.7,-12.63,;11.35,-13.41,;11.35,-14.95,;10.02,-12.63,;8.68,-13.41,;7.35,-12.63,;6.02,-13.41,;5.85,-14.95,;4.33,-15.28,;3.56,-13.94,;2.07,-13.62,;1.59,-12.17,;2.62,-11.02,;4.12,-11.34,;4.59,-12.8,;8.68,-14.95,;8.68,-16.49,;7.35,-17.26,;10.02,-17.26,;11.56,-17.26,;12.4,-15.99,;13.96,-15.48,;14.82,-16.73,;16.3,-17.19,;14.6,-17.61,;13.77,-16.47,;13.8,-18.85,;12.42,-18.5,;13.96,-18.05,;8.67,-11.86,;7.33,-11.09,;9.99,-11.07,;9.98,-9.52,;11.32,-8.74,;11.3,-7.2,;9.95,-6.45,;9.94,-4.92,;11.27,-4.12,;12.61,-4.89,;12.63,-6.41,;18.04,-12.63,;19.37,-13.41,)|
Oc1ccc(CCNC(=O)C(CC(=O)NCCc2ccccc2)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)cc1 |TLB:36:37:39:42.43.41,THB:44:45:39:42.43.41,44:42:39:37.45.46,41:40:37:42.44.43,41:42:37:40.39.46,(9.63,-1.36,;9.64,-2.9,;10.99,-3.65,;11,-5.2,;9.68,-5.97,;9.69,-7.51,;8.35,-8.31,;8.38,-9.85,;7.04,-10.64,;5.7,-9.87,;7.06,-12.19,;8.4,-11.42,;9.73,-12.19,;9.73,-13.73,;11.07,-11.42,;12.4,-12.19,;13.75,-11.42,;15.08,-12.18,;16.42,-11.42,;17.74,-12.18,;17.75,-13.71,;16.41,-14.48,;15.08,-13.71,;5.73,-11.42,;4.4,-12.19,;4.22,-13.72,;2.72,-14.05,;1.95,-12.7,;.45,-12.4,;-.04,-10.94,;.99,-9.8,;2.5,-10.11,;2.98,-11.57,;7.06,-13.73,;7.06,-15.27,;5.73,-16.05,;8.4,-16.05,;9.94,-16.04,;10.79,-14.76,;12.33,-14.25,;13.19,-15.5,;14.68,-15.97,;12.98,-16.37,;12.14,-15.24,;12.16,-17.63,;10.79,-17.28,;12.33,-16.82,;8.33,-5.22,;8.31,-3.69,)|
O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)OCc1ccccc1 |TLB:17:18:20:23.24.22,THB:25:26:20:23.24.22,25:23:20:18.26.27,22:21:18:23.25.24,22:23:18:21.20.27,(12.03,-16.84,;12.03,-15.3,;10.7,-14.53,;9.36,-15.3,;8.03,-14.53,;6.7,-15.3,;6.52,-16.84,;5.03,-17.16,;4.26,-15.82,;2.76,-15.51,;2.27,-14.06,;3.3,-12.91,;4.81,-13.22,;5.29,-14.69,;9.36,-16.84,;9.36,-18.39,;8.02,-19.16,;10.7,-19.16,;12.24,-19.15,;13.08,-17.87,;14.63,-17.36,;15.49,-18.61,;16.98,-19.08,;15.27,-19.48,;14.44,-18.35,;14.46,-20.74,;13.08,-20.39,;14.63,-19.93,;9.35,-13.75,;8.01,-12.99,;10.68,-12.97,;10.66,-11.43,;11.99,-10.63,;11.98,-9.09,;13.29,-8.32,;13.29,-6.78,;11.94,-6.02,;10.61,-6.82,;10.63,-8.34,;13.36,-14.53,;14.7,-15.3,;16.04,-14.53,;17.37,-15.3,;18.7,-14.53,;18.7,-12.99,;17.36,-12.22,;16.03,-12.99,)|
OS(=O)(=O)Oc1ccc(CCNC(=O)CC(Cc2c[nH]c3ccccc23)(NC(=O)OC2C3CC4CC(C3)CC2C4)C(=O)NCCc2ccccc2)cc1 |TLB:32:33:37:30.31.36,29:30:37:33.39.34,THB:32:31:37:33.39.34,34:35:30:33.32.39,34:33:30:35.37.36,(19.93,-18.54,;19.94,-17,;21.49,-17,;18.4,-16.98,;19.94,-15.46,;18.6,-14.68,;18.6,-13.15,;17.26,-12.39,;15.93,-13.15,;14.6,-12.39,;13.26,-13.16,;11.92,-12.39,;10.58,-13.16,;10.58,-14.71,;9.24,-12.39,;7.91,-13.16,;6.58,-12.39,;5.25,-13.16,;5.07,-14.69,;3.56,-15.02,;2.79,-13.69,;1.29,-13.37,;.82,-11.91,;1.85,-10.76,;3.35,-11.09,;3.82,-12.54,;7.91,-14.71,;7.91,-16.25,;6.58,-17.02,;9.24,-17.02,;10.79,-17.01,;11.63,-15.74,;13.17,-15.23,;14.05,-16.47,;15.53,-16.94,;13.83,-17.36,;12.98,-16.21,;13.02,-18.6,;11.64,-18.26,;13.19,-17.8,;7.9,-11.61,;6.55,-10.85,;9.22,-10.83,;9.21,-9.28,;10.55,-8.5,;10.53,-6.95,;9.17,-6.2,;9.17,-4.66,;10.5,-3.87,;11.84,-4.64,;11.85,-6.17,;15.93,-14.69,;17.26,-15.46,)|
O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCc1ccccc1 |TLB:17:18:20:23.24.22,THB:25:26:20:23.24.22,25:23:20:18.26.27,22:21:18:23.25.24,22:23:18:21.20.27,(11.37,-14.95,;11.37,-13.41,;10.04,-12.63,;8.71,-13.41,;7.37,-12.63,;6.04,-13.41,;5.87,-14.95,;4.36,-15.28,;3.59,-13.94,;2.09,-13.62,;1.61,-12.17,;2.64,-11.02,;4.15,-11.34,;4.61,-12.8,;8.71,-14.95,;8.71,-16.49,;7.37,-17.26,;10.04,-17.26,;11.58,-17.26,;12.42,-15.99,;13.97,-15.48,;14.85,-16.73,;16.33,-17.19,;14.62,-17.61,;13.78,-16.47,;13.82,-18.85,;12.44,-18.5,;13.98,-18.05,;8.7,-11.86,;7.35,-11.09,;10.02,-11.07,;10.01,-9.52,;11.34,-8.74,;11.32,-7.2,;12.65,-6.41,;12.63,-4.89,;11.29,-4.12,;9.96,-4.92,;9.97,-6.45,;12.72,-12.63,;14.05,-13.41,;15.39,-12.63,;16.73,-13.41,;18.06,-12.63,;19.39,-13.41,;20.72,-12.65,;20.72,-11.09,;19.39,-10.32,;18.06,-11.11,)|
O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)Nc1ccccc1 |TLB:20:21:25:18.19.24,17:18:25:21.27.22,THB:20:19:25:21.27.22,22:21:18:23.25.24,22:23:18:21.20.27,(10.64,-10.93,;10.64,-9.38,;9.31,-8.61,;7.96,-9.38,;6.62,-8.61,;5.29,-9.38,;5.13,-10.93,;3.62,-11.25,;2.85,-9.92,;1.36,-9.59,;.87,-8.14,;1.9,-7,;3.4,-7.33,;3.87,-8.78,;7.96,-10.93,;7.96,-12.47,;6.62,-13.24,;9.29,-13.24,;10.83,-13.24,;11.68,-11.98,;13.23,-11.44,;14.1,-12.7,;15.58,-13.17,;13.87,-13.59,;13.05,-12.45,;13.08,-14.83,;11.69,-14.48,;13.23,-14.04,;7.96,-7.84,;6.6,-7.07,;9.28,-7.05,;9.27,-5.5,;10.6,-4.73,;10.58,-3.19,;9.24,-2.44,;9.22,-.9,;10.55,-.1,;11.89,-.87,;11.91,-2.39,;11.98,-8.61,;13.31,-9.38,;14.64,-8.61,;15.98,-9.38,;15.98,-10.93,;14.64,-11.7,;13.31,-10.93,)|
Clc1ccccc1NC(=O)NCCCCNC(=O)CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |TLB:40:35:43:39.41.38,40:39:34.35.36:43,THB:38:37:34:39.40.41,38:39:34:37.36.43,33:34:43:39.41.38,(16.48,3.44,;15.71,4.78,;16.5,6.1,;15.71,7.43,;14.15,7.43,;13.4,6.1,;14.15,4.78,;13.39,3.45,;11.83,3.45,;11.06,4.78,;11.06,2.11,;9.51,2.11,;8.73,.78,;7.2,.78,;6.42,-.55,;4.87,-.55,;3.3,-.9,;2.31,.04,;2.59,-2.41,;3.08,-4.15,;2.79,-5.76,;3.61,-7.11,;2.8,-8.42,;3.82,-9.57,;5.23,-8.99,;6.62,-9.63,;7.86,-8.76,;7.75,-7.24,;6.35,-6.58,;5.1,-7.45,;1.8,-3.33,;.42,-4.02,;.34,-5.56,;-.87,-3.18,;-2.27,-3.89,;-3.58,-3.13,;-4.77,-4.23,;-4.95,-5.81,;-6.51,-6.05,;-5.16,-4.92,;-4.98,-3.46,;-3.9,-5.58,;-2.46,-5.4,;-3.62,-6.53,;4.48,-3.46,;4.56,-1.94,;5.78,-4.31,;7.14,-3.62,;8.45,-4.46,;9.83,-3.76,;11.14,-4.59,;12.52,-3.89,;12.58,-2.36,;11.29,-1.52,;9.91,-2.23,)|
O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCc1ccccc1 |TLB:17:18:20:23.24.22,THB:25:26:20:23.24.22,25:23:20:18.26.27,22:21:18:23.25.24,22:23:18:21.20.27,(8.74,-8.37,;8.74,-6.83,;7.41,-6.06,;6.06,-6.83,;4.73,-6.06,;3.4,-6.83,;3.23,-8.36,;1.73,-8.68,;.96,-7.35,;-.54,-7.04,;-1.02,-5.57,;.01,-4.43,;1.5,-4.75,;1.99,-6.2,;6.06,-8.37,;6.06,-9.91,;4.73,-10.69,;7.41,-10.69,;8.94,-10.67,;9.8,-9.41,;11.34,-8.89,;12.21,-10.13,;13.69,-10.6,;11.99,-11.02,;11.15,-9.87,;11.18,-12.26,;9.8,-11.92,;11.35,-11.46,;6.06,-5.27,;4.71,-4.51,;7.39,-4.49,;7.37,-2.95,;8.71,-2.16,;8.68,-.62,;10.02,.16,;9.99,1.7,;8.66,2.47,;7.33,1.68,;7.34,.13,;10.09,-6.06,;11.42,-6.83,;12.75,-6.06,;14.08,-6.83,;15.42,-6.06,;15.43,-4.51,;14.08,-3.74,;12.75,-4.52,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N)c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(8.02,-5.46,;9.37,-6.2,;10.7,-5.42,;10.68,-3.88,;11.96,-4.76,;13.17,-3.83,;12.66,-2.38,;13.41,-1.04,;12.62,.28,;11.08,.25,;10.33,-1.09,;11.13,-2.4,;9.4,-7.74,;8.09,-8.54,;8.12,-10.08,;6.74,-7.8,;5.46,-8.64,;5.45,-10.17,;4.05,-10.52,;2.72,-10.03,;1.53,-11.3,;3.03,-10.88,;4.43,-11.45,;3.02,-9.29,;4.06,-8.06,;2.72,-8.54,;10.47,-7.28,;12.01,-7.27,;10.51,-8.82,;11.86,-9.56,;11.89,-11.1,;10.57,-11.9,;10.61,-13.44,;9.22,-11.17,;13.17,-8.76,;14.52,-9.5,;14.55,-11.04,;15.9,-11.78,;17.22,-10.99,;18.57,-11.73,;17.18,-9.44,;18.5,-8.64,;15.83,-8.7,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N=[N+]=[N-])c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(7.11,-5.46,;8.46,-6.2,;9.79,-5.42,;9.77,-3.88,;11.05,-4.76,;12.26,-3.83,;11.76,-2.38,;12.5,-1.04,;11.71,.28,;10.17,.25,;9.42,-1.09,;10.22,-2.4,;8.5,-7.74,;7.18,-8.54,;7.21,-10.08,;5.83,-7.8,;4.55,-8.64,;4.54,-10.17,;3.14,-10.52,;1.81,-10.03,;.62,-11.31,;2.12,-10.89,;3.52,-11.45,;2.11,-9.29,;3.15,-8.07,;1.81,-8.54,;9.57,-7.28,;11.1,-7.28,;9.6,-8.82,;10.95,-9.56,;10.98,-11.1,;9.67,-11.9,;9.7,-13.44,;8.31,-11.17,;12.27,-8.76,;13.62,-9.5,;13.64,-11.04,;14.99,-11.79,;16.31,-10.99,;17.66,-11.73,;18.98,-10.93,;20.3,-10.13,;16.28,-9.44,;17.59,-8.64,;14.93,-8.7,)|
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@@H]1C(O)=O
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(O)=O
CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCCC1
OC(=O)[C@@H]1CCCN1C(=O)CN(CCC1CCCCC1)C(=O)[C@H](CCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1CCc2ccccc2C1
CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(O)=O
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1CC(O)=O
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O
OC(=O)[C@@H]1CCCN1C(=O)CN(CCC1CCCCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12
CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CC1CCCCC1)CC(=O)N1CCC[C@H]1C(O)=O
CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@H]1C(O)=O
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
CC(C)N(C(=O)CN(C(=O)CNC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1
[H][C@](CCC(O)=O)(NC(=O)Nc1ccccc1)C(=O)N(CC(=O)N(C(C)C)c1ccccc1)c1ccccc1
[H][C@](CCC(O)=O)(NC(=O)Nc1ccccc1)C(=O)N(CC(=O)N(C(C)C)c1ccc(OC)cc1)c1ccccc1
NC(=O)[C@H](Cc1ccccc1)N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
NC(=O)[C@H](Cc1ccccc1)N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N
NC(=O)C(Cc1ccccc1)NC(=O)C[C@@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(O)=O
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(O)=O
CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(O)=O
CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N
COc1ccc(cc1)N(C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CN(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O)c1ccccc1
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CN(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C2(N=N2)C(F)(F)F)C1=O)c1ccccc1 |c:36|
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C2(N=N2)C(F)(F)F)C1=O |c:47|
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C2(N=N2)C(F)(F)F)C1=O)c1ccccc1 |c:38|
COc1ccc(cc1)N(C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O
COc1ccc(cc1)N(C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C2(N=N2)C(F)(F)F)C1=O |c:45|
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O)c1ccccc1
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccc(F)cc1 |wD:29.34,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.23.22,20:21:16:19.18.25,(7.6,-.86,;7.7,-2.9,;7.7,-4.44,;6.91,-5.77,;7.73,-7.1,;6.7,-8.26,;5.28,-7.66,;3.9,-8.29,;2.62,-7.43,;2.76,-5.89,;4.18,-5.23,;5.41,-6.12,;6.37,-2.13,;5.02,-2.9,;5.02,-4.44,;3.69,-2.12,;2.36,-2.89,;2.36,-4.43,;1.57,-5.75,;.24,-4.98,;-1.39,-5.51,;-.3,-4.43,;1.03,-5.19,;-.3,-2.89,;1.03,-2.11,;.26,-3.44,;9.03,-2.13,;9.03,-.59,;10.36,-2.9,;11.7,-2.12,;11.7,-.58,;13.03,.19,;14.52,.6,;13.03,1.73,;13.03,-2.89,;14.37,-2.12,;15.7,-2.89,;17.03,-2.12,;17.03,-.58,;18.36,.2,;15.68,.19,;14.35,-.59,)|
Cc1ccccc1NC(=O)NCCCC[C@@H](CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:23.37,wD:15.20,23.24,TLB:45:40:48:44.46.43,45:44:39.40.41:48,THB:43:44:39:42.41.48,43:42:39:44.45.46,38:39:48:44.46.43,(23.16,-12.59,;23.12,-11.05,;24.42,-10.25,;24.39,-8.71,;23.02,-7.97,;21.72,-8.78,;21.76,-10.32,;20.46,-11.12,;19.1,-10.39,;19.06,-8.85,;17.79,-11.19,;16.41,-10.5,;15.13,-11.35,;13.73,-10.67,;12.45,-11.52,;11.07,-10.83,;10.98,-9.3,;12.26,-8.43,;12.17,-6.89,;13.66,-9.13,;9.79,-11.68,;8.41,-11,;8.32,-9.46,;7.13,-11.84,;7.13,-10.3,;7.13,-13.64,;8.67,-14.53,;8.15,-15.99,;9.37,-16.93,;10.64,-16.04,;12.12,-16.42,;13.2,-15.31,;12.75,-13.83,;11.27,-13.48,;10.21,-14.57,;5.75,-11.17,;4.47,-12.01,;4.56,-13.55,;3.09,-11.33,;1.81,-12.17,;.4,-11.6,;-.63,-12.84,;-.62,-14.41,;-2.12,-14.83,;-.93,-13.56,;-.93,-12.08,;.4,-14.05,;1.8,-13.71,;.78,-14.99,)|
CCCCCNC(=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Fc1ccccc1C1=NC(c2ccsc2)C(=O)Nc2ccccc12 |t:8|
Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(CCC#N)c2ccccc12 |r,t:8|
OC(=O)CCN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |r,c:13|
CN1c2ccccc2C(N([C@H](Cc2cn(C)c3ccccc23)C1=O)C(=O)c1ccc(Cl)cc1)c1ccccc1F |r|
CN1c2ccccc2C(=N[C@H](Cc2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)C1=O)c1ccccc1F |r,c:9|
CN1CC(CC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c2ccccc12 |t:6|
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CC2N=C(c3ccccc3F)c3ccccc3NC2=O)c2ccccc12 |r,t:20|
Clc1ccc2NC(=O)[C@@H](CC3C(=O)Nc4ccccc34)N=C(c3ccccc3)c2c1 |r,t:22|
CN1c2ccccc2C(=N[C@H](Cc2cn(C)c3ccccc23)C1=O)c1ccccc1 |r,c:9|
NC(=O)CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |r,c:12|
Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(c3ccccc3)c2c1 |r|
CN1c2ccc(Cl)cc2C(=N[C@H](Cc2cn(Cc3ccccc3)c3ccccc23)C1=O)c1ccccc1 |r,c:10|
OC(=O)CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:12|
CN1c2ccccc2C(=N[C@H](Cc2cn(C)c3ccccc23)C1=O)c1ccccc1F |r,c:9|
CN(C)CCN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |r,c:13|
Clc1ccc2NC(=O)[C@@H](Cc3ccc(OCc4ccccc4)cc3)N=C(c3ccccc3)c2c1 |r,t:26|
CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 |r,c:9|
CCOC(=O)CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |r,c:14|
Clc1ccc2N(Cc3ccccc3)C(=O)[C@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |r,t:29|
Fc1ccccc1C1=N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |r,t:8|
Clc1ccc2NC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21|
Clc1ccc2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(c3ccccc3)c2c1 |r|
Fc1ccc2[nH]cc(CC3N=C(c4ccccc4F)c4ccccc4NC3=O)c2c1 |t:10|
CC(C)C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O |r,t:5|
Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(CC2CC2)c2ccccc12 |r,t:8|
Clc1ccc2NC(=O)[C@@H](COCc3ccccc3)N=C(c3ccccc3)c2c1 |r,t:19|
OC(=O)c1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |r,t:10|
Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)CNc2ccccc12 |r,t:8|
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl
Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3Cl)c2c1 |r,t:21|
CCN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |r,c:10|
Clc1ccc2NC(=S)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |r,t:21|
CC1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |r,t:1|
O=C1Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1 |c:10|
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CC(CC2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc12 |t:20|
CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
[H][C@]1(Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O |r,t:14|
CN1c2ccccc2C(=N\C(=C/c2ccsc2)C1=O)c1ccccc1 |c:9|
[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11|
Clc1ccc2NC(=O)C(Cc3cccc4ccccc34)N=C(c3ccccc3)c2c1 |t:22|
CC(C)CC(N)C(=O)N1CC(CC2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc12 |t:13|
Clc1ccc2NC(=O)C(Cc3ccc4ccccc4c3)N=C(c3ccccc3)c2c1 |t:22|
Fc1ccccc1C1=NC(Cc2ccsc2)C(=O)Nc2ccccc12 |t:8|
CN1c2ccccc2C(=N\C(=C\c2ccsc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2[C@@H](N(C(Cc2cn(C)c3ccccc23)C1=O)C(C)=O)c1ccccc1F |r|
Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21|
Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(CC(F)(F)F)c2ccccc12 |r,t:8|
CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9|
Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8|
CCCCCN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |r,c:13|
Clc1ccc2NC(=O)[C@@H](Cc3ccccc3)N=C(c3ccccc3)c2c1 |r,t:17|
Clc1ccc2N(Cc3ccccc3)C(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |r,t:29|
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CC2N=C(c3ccccc3F)c3ccccc3NC2=O)c2ccccc12 |r,t:20|
[H][C@@]1(CC2N=C(c3ccccc3F)c3ccccc3NC2=O)CN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c2ccccc12 |r,t:4|
Fc1ccccc1C1=NC(C[C@@H]2CNc3ccccc23)C(=O)Nc2ccccc12 |r,t:8|
CN1C[C@@H](CC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c2ccccc12 |r,t:6|
O=C1Nc2ccccc2C(=NC1C[C@H]1CNc2ccccc12)c1ccccc1 |r,c:10|
Fc1ccccc1C1=NC(C[C@H]2CNc3ccccc23)C(=O)Nc2ccccc12 |r,t:8|
O=C1Nc2ccccc2C(=NC1C[C@@H]1CNc2ccccc12)c1ccccc1 |r,c:10|
CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccccc2Br)C1=O)c1ccccc1F |r,c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccccc2I)C1=O)c1ccccc1F |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |r,c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccccc2Cl)C1=O)c1ccccc1 |r,c:9|
[H][C@]1(NC(=O)c2ccc(CCCCC)cc2)N=C(c2ccccc2)c2ccccc2N(C)C1=O |r,t:17|
CN1c2ccccc2C(=NC(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1F |c:9|
Fc1ccccc1C1=NC(NC(=O)c2ccsc2)C(=O)Nc2ccccc12 |t:8|
NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:2|
CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](N)Cc2ccccc2)C1=O)c1ccccc1 |c:9|
CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |c:14|
CCOC(=O)CN1c2ccccc2C(=NC(NC=O)C1=O)c1ccccc1 |c:14|
Fc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:12|
CN1c2ccccc2C(=N[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C1=O)c1ccccc1 |c:9|
Cc1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:12|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2N)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)C2CCCCC2)C1=O)c1ccccc1 |r,c:9|
Fc1ccccc1C1=NC(NC(=O)c2ccccc2)C(=O)Nc2ccccc12 |t:8|
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1c[nH]c2ccccc12 |t:4|
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12 |t:4|
Fc1ccccc1C1=NC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
COc1ccc2[nH]c(cc2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:17|
CCCc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:14|
Fc1ccccc1C1=NC(NCc2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
CN(C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1 |t:6|
CN1c2ccccc2C(=N[C@@H](NC(=O)C2CCCCC2)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=NC(N)C1=O)c1ccccc1F |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 |r,c:9|
CC(C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |r,t:7|
CCCCCc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:16|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccccc2Br)C1=O)c1ccccc1F |r,c:9|
Clc1cc(Cl)cc(c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:13|
OC(C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1 |t:6|
CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |r,c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1F |r,c:9|
CCCCCc1ccc(cc1)C(=O)N[C@H]1N=C(c2ccccc2F)c2ccccc2N(C)C1=O |r,t:16|
Cn1c(cc2ccccc12)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16|
CN(C)c1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:14|
CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14|
Oc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:12|
CN(C1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(=O)c1ccccc1Cl |t:3|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1F |c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccccc2Cl)C1=O)c1ccccc1 |r,c:9|
Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
[O-][N+](=O)c1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:14|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2cccc(I)c2)C1=O)c1ccccc1F |r,c:9|
Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3o2)C(=O)Nc2ccccc12 |t:8|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(I)cc2)C1=O)c1ccccc1F |r,c:9|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:25|
Clc1cccc(c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:12|
OC(=O)CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:12|
O=C(CCc1c[nH]c2ccccc12)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:17|
CN1c2ccccc2C(=NCC1=O)c1ccccc1 |c:9|
OC(=O)CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |c:12|
Fc1ccccc1C1=NC(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc12 |t:8|
COc1ccc(cc1OC)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:15|
Fc1ccccc1C1=NC(NC(=O)c2c(F)c(F)c(F)c(F)c2F)C(=O)Nc2ccccc12 |t:8|
CN1c2ccccc2C(=N[C@H](NC(=O)C(C)(C)C)C1=O)c1ccccc1 |r,c:9|
O=C(CCCc1c[nH]c2ccccc12)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:18|
Fc1ccccc1C1=NC(NC(=O)c2ncc3ccccc3n2)C(=O)Nc2ccccc12 |t:8|
Fc1ccccc1C1=NC(NC(=O)c2ccc[nH]2)C(=O)Nc2ccccc12 |t:8|
COc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 |r,t:12|
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(cc1)-c1ccccc1 |t:4|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1F |r,c:9|
Fc1ccccc1C1=NC(NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc2ccccc12 |t:8|
N[C@H](Cc1ccccc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:14|
CN1c2ccccc2C(=NC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccccc2Cl)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccccc2Cl)C1=O)c1ccccc1F |r,c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(cc2)C#N)C1=O)c1ccccc1F |r,c:9|
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(cc1)C#N |t:4|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1F |c:9|
COc1cccc(CC(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 |r,t:12|
Fc1ccccc1C1=NC(NC(=O)c2ccc(Cl)cc2)C(=O)N(C(=O)c2ccc(Cl)cc2)c2ccccc12 |t:8|
FC(F)(F)Sc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:16|
CN1c2ccccc2C(c2ccccc2F)=[N+]([O-])C(NC(=O)c2ccc(Cl)cc2)C1=O |t:17|
Oc1ccc2[nH]c(cc2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16|
NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:2|
Fc1ccccc1C1=NC(NC(=O)c2ccccc2Cl)C(=O)Nc2ccccc12 |t:8|
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc2ccccc2c1 |t:4|
Fc1ccccc1C1=NC(NC(=O)Cc2cccc3sccc23)C(=O)Nc2ccccc12 |t:8|
Fc1ccccc1C1=NC(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)Nc2ccccc12 |t:8|
CN1c2ccccc2C(=NC(NC(=O)c2cccc(I)c2)C1=O)c1ccccc1F |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |c:9|
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 |t:4|
CC(C)(C)c1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:15|
CN1c2ccccc2C(=N[C@H](NC(=O)c2cccc(Br)c2)C1=O)c1ccccc1F |r,c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3n2C)C1=O)c1ccccc1F |c:9|
CC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:5|
CN1c2ccccc2C(=N[C@H](NC(=O)\C=C\c2ccccc2)C1=O)c1ccccc1 |r,c:9|
CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)c2ccccc2Cl)C1=O)c1ccccc1F |c:14|
CCCCCc1ccc(cc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |r,t:16|
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:21|
Clc1ccccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:12|
O=C(Cc1c[nH]c2ccccc12)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:16|
CN1c2ccccc2C(=NC(NC(=O)c2ccsc2)C1=O)c1ccccc1F |c:9|
CC1(C=Cc2ccccc12)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |c:2,t:16|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccccc2I)C1=O)c1ccccc1 |r,c:9|
CSc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:13|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |r,c:9|
Clc1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:12|
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)C1Cc2ccccc2N1 |t:4|
Fc1ccc2[nH]c(cc2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16|
Fc1ccccc1C1=NC(NC(=O)c2cc3cc(Br)ccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
CCCCCc1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2N(C)C1=O |t:16|
COc1ccc(cc1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:13|
FC(F)(F)c1ccc(cc1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:15|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccccc2I)C1=O)c1ccccc1F |r,c:9|
O=C1Nc2ccccc2C(=NC1NCCc1c[nH]c2ccccc12)c1ccccc1 |c:10|
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:25|
CN1c2ccccc2C(=NCC1=O)c1ccccc1F |c:9|
Clc1ccc(cc1Cl)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:13|
Fc1ccccc1C1=NC(NC(=O)\C=C\c2ccccc2)C(=O)Nc2ccccc12 |t:8|
CN1c2ccccc2C(=NC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1F |c:9|
OC(=O)CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |c:12|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |r,c:9|
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cnccn1 |t:4|
CC(C)CCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |r,t:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
CN(C1N=C(c2ccccc2)c2ccccc2NC1=O)C(=O)c1cc2ccccc2[nH]1 |t:3|
CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1F |r,c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14|
Fc1ccccc1C1=NC(NC(=O)Nc2ccc(Cl)cc2)C(=O)Nc2ccccc12 |t:8|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
O=C(CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N(C1CCCCC1)C1CCCCC1)OCc1ccccc1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)Nc1cccc(OC)c1
CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)N1CCCC1)NC(=O)Nc1cccc(OC)c1
CCCCCN(CCCCC)C(=O)C(CCC(O)=O)NC(=O)Nc1ccc(Cl)cc1
CCCCCN(CCCCC)C(=O)[C@H](CCC(O)=O)NC(=O)Nc1cccc(OC)c1
CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC)NC(=O)Nc1ccc(Cl)cc1
CCCN(CCC)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc2ccccc2[nH]1
CCCCCN(CCCCC)C(=O)C(CCC(=O)OCc1ccccc1)NC(=O)Nc1ccc(Cl)cc1
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)N1CCCC1)NC(=O)Nc1cccc(OC)c1
CCCCCN(CCCCC)C(=O)C(CCC(=O)N1CCCC1)NC(=O)Nc1ccc(Cl)cc1
CCCN(CCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1cc2ccccc2[nH]1
OC(=O)CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N(C1CCCCC1)C1CCCCC1
CCCN(CCC)C(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
O.[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@@]2([H])C[C@]3([H])C[C@@]([H])(C[C@@]1([H])C3)C2)(NC(=O)CC(O)=O)c1ccccc1 |wU:7.6,24.25,30.31,2.0,wD:2.40,33.35,27.28,TLB:22:23:26:30.36.29,THB:32:33:26:30.36.29,32:30:23.33.35:26,29:30:23:27.35.26,29:27:23:30.36.32,(21.23,-10.12,;15.18,-14.74,;15.19,-16.28,;13.87,-17.07,;12.52,-16.31,;12.51,-14.77,;13.84,-13.99,;11.18,-14,;11.27,-15.53,;11.17,-12.48,;12.26,-11.4,;11.34,-10.15,;12.26,-8.9,;13.71,-9.38,;15.05,-8.61,;16.37,-9.38,;16.37,-10.92,;15.05,-11.69,;13.71,-10.92,;9.85,-14.8,;8.5,-14.03,;8.48,-12.49,;7.17,-14.82,;5.63,-14.8,;4.65,-13.65,;5.37,-12.3,;3.24,-13.45,;2.57,-14.77,;1.55,-13.61,;.91,-15.37,;2.45,-15.67,;1.67,-17,;3.44,-16.82,;4.92,-16.15,;5.98,-17.27,;3.51,-15.83,;3.16,-14.26,;16.52,-15.5,;18.06,-15.5,;18.04,-13.96,;19.38,-14.73,;20.73,-15.48,;22.05,-14.69,;20.74,-17.02,;16.53,-17.05,;17.85,-16.27,;19.19,-17.02,;19.2,-18.56,;17.88,-19.35,;16.53,-18.59,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCCC(O)=O)c1ccccc1 |TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:19:16:21.25.22|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25|
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NCC(OC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:14.15,1.0,6.6,wD:3.3,45.49,TLB:10:9:5:1.8.2,THB:47:45:5:1.8.2,47:1:5:9.45.48,2:3:9:1.8.47,2:1:9:3.5.48,(-2.04,-16.44,;-1.27,-15.12,;-2.79,-14.8,;-1.14,-14.22,;-2.15,-13.07,;-.47,-12.9,;.94,-13.09,;1.67,-11.75,;-.55,-13.71,;1.92,-14.26,;3.46,-14.26,;4.79,-13.49,;4.78,-11.95,;6.14,-14.24,;7.45,-13.45,;7.55,-14.96,;7.44,-11.91,;8.54,-10.84,;7.64,-9.6,;8.54,-8.35,;10.01,-8.83,;11.34,-8.05,;12.67,-8.82,;12.67,-10.37,;11.34,-11.14,;10.01,-10.37,;8.8,-14.21,;10.12,-13.42,;8.8,-15.75,;10.15,-16.5,;11.21,-15.35,;12.8,-14.95,;14.13,-14.16,;14.12,-12.62,;15.47,-14.92,;16.79,-14.13,;18.14,-14.89,;19.45,-14.1,;18.16,-16.43,;12.81,-16.49,;14.13,-15.7,;15.47,-16.46,;15.5,-18.01,;14.16,-18.78,;12.81,-18.03,;1.22,-15.6,;2.26,-16.73,;-.28,-16.27,;-.19,-15.27,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(16.6,-9.44,;16.5,-7.94,;16.49,-6.4,;17.58,-5.3,;16.66,-4.07,;17.58,-2.82,;19.04,-3.3,;20.37,-2.51,;21.7,-3.28,;21.7,-4.84,;20.37,-5.61,;19.04,-4.84,;15.18,-8.71,;13.83,-7.96,;13.81,-6.42,;12.49,-8.74,;10.95,-8.71,;10.25,-10.07,;8.77,-10.73,;7.78,-9.59,;6.24,-9.28,;7.89,-8.69,;8.57,-7.36,;9.98,-7.55,;8.48,-8.18,;8.83,-9.73,;17.84,-8.67,;19.16,-7.9,;17.85,-10.21,;19.2,-10.98,;19.2,-12.52,;17.88,-13.29,;17.88,-14.83,;19.23,-15.6,;16.57,-15.62,;15.22,-14.87,;13.9,-15.66,;12.56,-14.9,;13.9,-17.2,;20.51,-10.2,;21.86,-10.95,;23.18,-10.18,;24.51,-10.92,;24.52,-12.48,;23.21,-13.26,;21.86,-12.49,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,29.33,wD:19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(13.68,-12.84,;13.68,-11.3,;13.68,-9.76,;14.77,-8.69,;13.86,-7.45,;14.77,-6.2,;16.23,-6.68,;17.56,-5.9,;18.9,-6.67,;18.9,-8.22,;17.56,-8.99,;16.23,-8.22,;12.36,-12.1,;11.02,-11.34,;11,-9.8,;9.69,-12.11,;8.15,-12.11,;7.44,-13.45,;5.95,-14.12,;4.95,-12.97,;3.43,-12.65,;5.08,-12.07,;5.75,-10.75,;7.17,-10.92,;5.68,-11.56,;6.03,-13.12,;15.02,-12.07,;15.02,-13.61,;16.34,-11.29,;17.68,-12.06,;17.68,-13.6,;16.34,-14.37,;16.85,-15.83,;18.36,-16.11,;15.86,-16.98,;14.35,-16.72,;13.35,-17.88,;13.86,-19.33,;11.82,-17.59,;19,-11.27,;20.34,-12.04,;21.67,-11.27,;23,-12.03,;23.01,-13.58,;21.67,-14.35,;20.34,-13.58,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:35.40,wU:19.27,17.29,23.24,29.33,1.0,wD:1.13,21.23,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:21:16:19.18.24,(21.99,-13.05,;21.9,-11.54,;21.87,-10,;22.97,-8.93,;22.07,-7.68,;22.97,-6.43,;24.44,-6.91,;25.76,-6.13,;27.11,-6.9,;27.11,-8.45,;25.76,-9.23,;24.44,-8.45,;20.56,-12.33,;19.21,-11.57,;19.21,-10.03,;17.89,-12.34,;16.34,-12.33,;15.36,-11.17,;13.94,-10.98,;13.27,-12.31,;11.63,-12.89,;13.16,-13.21,;14.16,-14.35,;15.65,-13.69,;14.23,-13.36,;13.88,-11.79,;23.22,-12.3,;24.56,-11.5,;23.24,-13.84,;24.59,-14.59,;24.6,-16.13,;23.28,-16.92,;23.29,-18.46,;24.63,-19.21,;21.96,-19.24,;20.62,-18.49,;19.3,-19.27,;17.95,-18.5,;19.31,-20.82,;25.92,-13.82,;27.26,-14.58,;28.57,-13.78,;29.9,-14.54,;29.93,-16.1,;28.61,-16.87,;27.26,-16.12,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCCC(O)=O)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(11.41,-8.37,;11.31,-6.86,;11.29,-5.31,;12.38,-4.24,;11.48,-3,;12.38,-1.75,;13.86,-2.23,;15.18,-1.45,;16.53,-2.22,;16.53,-3.77,;15.18,-4.54,;13.86,-3.77,;9.97,-7.65,;8.62,-6.89,;8.62,-5.35,;7.31,-7.66,;5.75,-7.65,;5.06,-9.01,;3.57,-9.67,;2.57,-8.53,;1.04,-8.21,;2.68,-7.63,;3.35,-6.3,;4.77,-6.49,;3.29,-7.11,;3.64,-8.68,;12.64,-7.62,;13.98,-6.82,;12.66,-9.16,;14.01,-9.91,;14.02,-11.45,;12.7,-12.25,;12.71,-13.79,;14.05,-14.54,;11.38,-14.57,;10.04,-13.82,;8.71,-14.6,;7.36,-13.83,;6.02,-14.62,;7.34,-12.29,;15.34,-9.14,;16.68,-9.9,;16.68,-11.42,;18.03,-12.19,;19.36,-11.42,;19.33,-9.87,;18,-9.11,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |TLB:25:21:24:16.17.18,THB:20:21:16:19.24.18,20:19:16:21.22.25|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(O)=O)Cc1ccccc1 |wU:19.27,17.29,29.33,1.0,wD:1.13,21.23,23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(17.95,-9.98,;17.85,-8.45,;17.85,-6.93,;18.94,-5.85,;18.03,-4.6,;18.94,-3.35,;20.41,-3.83,;21.73,-3.06,;23.07,-3.83,;23.07,-5.37,;21.73,-6.14,;20.41,-5.37,;16.53,-9.25,;15.19,-8.48,;15.18,-6.94,;13.86,-9.27,;12.32,-9.25,;11.34,-8.1,;9.92,-7.9,;9.25,-9.22,;7.6,-9.82,;9.12,-10.12,;10.12,-11.27,;11.61,-10.6,;10.2,-10.28,;9.85,-8.71,;19.2,-9.22,;20.51,-8.44,;19.2,-10.76,;20.54,-11.52,;20.57,-13.06,;19.23,-13.84,;19.25,-15.38,;20.58,-16.14,;17.91,-16.15,;16.59,-15.41,;15.25,-16.18,;16.57,-13.87,;21.88,-10.73,;23.21,-11.5,;23.21,-13.04,;24.55,-13.8,;25.87,-13,;25.87,-11.46,;24.52,-10.72,)|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,wD:19.20,23.24,29.33,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(13.83,-9.63,;13.84,-8.09,;13.83,-6.56,;14.92,-5.47,;14,-4.24,;14.92,-2.98,;16.37,-3.47,;17.71,-2.67,;19.04,-3.44,;19.04,-5.01,;17.71,-5.78,;16.37,-5.01,;12.51,-8.87,;11.17,-8.12,;11.14,-6.58,;9.83,-8.9,;8.29,-8.89,;7.58,-10.23,;6.11,-10.89,;5.11,-9.75,;3.57,-9.44,;5.23,-8.86,;5.9,-7.52,;7.32,-7.71,;5.82,-8.34,;6.17,-9.89,;15.15,-8.86,;15.15,-10.4,;16.49,-8.06,;17.82,-8.83,;17.82,-10.37,;16.5,-11.14,;17.02,-12.61,;18.52,-12.88,;16.01,-13.77,;14.5,-13.49,;13.49,-14.66,;14,-16.12,;11.98,-14.38,;19.15,-8.06,;20.48,-8.83,;21.82,-8.05,;23.14,-8.8,;23.16,-10.36,;21.83,-11.14,;20.48,-10.37,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:19.20,23.24,wD:31.36,21.28,17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(6.19,-9.8,;6.2,-8.26,;6.19,-6.74,;7.28,-5.66,;6.36,-4.41,;7.28,-3.15,;8.74,-3.64,;10.07,-2.87,;11.4,-3.64,;11.4,-5.18,;10.07,-5.95,;8.74,-5.18,;4.88,-9.06,;3.53,-8.29,;3.51,-6.75,;2.19,-9.08,;.65,-9.06,;-.32,-7.9,;-1.73,-7.71,;-2.41,-9.03,;-4.06,-9.62,;-2.52,-9.92,;-1.53,-11.08,;-.05,-10.41,;-1.46,-10.08,;-1.82,-8.51,;7.52,-9.03,;7.52,-10.57,;8.85,-8.26,;10.18,-9.03,;10.18,-10.57,;11.53,-11.33,;12.87,-10.56,;14.19,-11.33,;14.19,-12.87,;15.53,-10.53,;16.85,-11.3,;18.2,-10.53,;19.52,-11.3,;18.19,-8.99,;11.53,-12.87,;10.2,-13.64,;10.21,-15.18,;11.55,-15.95,;12.88,-15.15,;12.88,-13.61,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1 |w:35.40,wU:21.28,17.19,1.0,wD:1.13,30.35,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(7.42,-12.42,;7.33,-10.91,;7.31,-9.36,;8.4,-8.29,;7.5,-7.05,;8.4,-5.8,;9.88,-6.28,;11.19,-5.5,;12.54,-6.27,;12.54,-7.82,;11.19,-8.59,;9.88,-7.82,;5.99,-11.7,;4.64,-10.94,;4.64,-9.4,;3.32,-11.71,;1.78,-11.71,;1.07,-13.06,;-.42,-13.72,;-1.41,-12.58,;-2.95,-12.26,;-1.31,-11.68,;-.63,-10.35,;.78,-10.54,;-.7,-11.16,;-.34,-12.73,;8.66,-11.67,;9.99,-10.87,;8.68,-13.21,;10.03,-13.96,;11.36,-13.19,;12.67,-12.38,;14.22,-12.38,;14.22,-10.84,;15.53,-11.61,;16.88,-12.37,;18.22,-11.58,;19.55,-12.35,;18.2,-10.04,;12.69,-13.95,;14.01,-13.16,;15.34,-13.92,;15.37,-15.47,;14.04,-16.24,;12.69,-15.49,)|
OC(=O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 |r|
CC(C)(C)CCNC(=O)[C@H](CCC(O)=O)NC(=O)c1cccc(Cl)c1 |r|
OC(=O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |r,TLB:28:27:30:23.22.24,28:23:30:27.29.26,24:25:29:23.22.28,THB:24:23:29:25.30.26|
OC(=O)CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 |r|
OC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 |r|
CCCCC(CC)CNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1ccccc1
OC(=O)CCC(NC(=O)c1cnc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1
Cc1cccc(c1)C(=O)NC(CCC(O)=O)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1
CC(C)(C)CCCNC(=O)C(CCC(O)=O)NC(=O)c1cnc2ccccc2c1
Cc1cc(C)cc(c1)C(=O)NC(CCC(O)=O)C(=O)NN1CCC2(CCCC2)CC1
CC(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
OC(=O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCCC2)CC1
CCC(CC)(CC)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
CCCCCNC(=O)C(CCC(O)=O)NC(=O)c1ccccc1
CC1(C)CCC(CC1)NC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
OC(=O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:24.23.29,THB:25:24:30:26.31.27,27:28:23:26.31.25,27:26:23:28.30.29|
CCCCCNC(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)cc1
CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1Cl
CCCCCNC(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
OC(=O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1
CC1(C)CCN(CC1)NC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
OC(=O)CCC(NC(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cccc(Br)c1)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cnc2ccccc2c1)C(=O)NN1CCC2(CCCCC2)CC1
OC(=O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)C1CC2CCCCC2CN1
COc1cccc(c1)C(=O)NC(CCC(O)=O)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cccc(c1)C(F)(F)F)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1CCC2(CCCCC2)CC1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(C1)CCCCC2
CCCCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
CCc1cccc(c1)C(=O)NC(CCC(O)=O)C(=O)NN1CCC2(CCCC2)CC1
CCCCCN(CCCCC)C(=O)C(CCC(O)=O)NC(=O)c1cc(Cl)cc(Cl)c1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCC2CCCCC2C1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCC1
CCC1(CC)CCC(CC1)NC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
CCCCCCCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cc2ccccc2[nH]1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCCCC1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |TLB:28:27:30:23.22.24,28:23:30:27.29.26,24:25:29:23.22.28,THB:24:23:29:25.30.26|
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCC1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NN1CCC2(CCCC2)CC1
CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1ccc2ccccc2c1
OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1
CCCCCCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NN1CCC2(C1)CCCCC2
CCC(C)(CC)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
OC(=O)CCC(NC(=O)c1cccc(c1)C#N)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)C1
CC(C)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NN1CCC2(CCCC2)CC1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CCC2(CCCCC2)CC1
CCCCCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1
CC(C)(C)CCCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cc(Cl)cc(Cl)c1
CCCCCN(CCCCC)C(=O)C(CCC(O)=O)NC(=O)c1ccc2ccccc2c1
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33|
COc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33|
COc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1OC
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1cccnc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)c1ccc2cc(OC(C)=O)ccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
COc1ccc2[nH]c(cc2c1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
COc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(OC)c1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2cc(O)ccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
COc1ccc(CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccccc1O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1cccc(O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1cccc(O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1cccs1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:31.33|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:31.33|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1cccnc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:31.33|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2cc(O)ccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccc(CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33|
CC(=O)Oc1ccc2cc(ccc2c1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc2cc(OS(O)(=O)=O)ccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2cccc(O)c2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1cccc(OS(O)(=O)=O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Cc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)c1ccc2cc(O)ccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(O)c(O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1cccc(OS(O)(=O)=O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN(C)c1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(Br)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(F)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1nc[nH]n1)c1ccccc1 |TLB:15:16:23:19.25.20,18:19:16.17.22:23,THB:20:19:16:21.22.23,20:21:16:19.18.25,18:17:23:19.25.20|
[H][C@](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccccc1 |wU:1.36,wD:6.7,1.0,TLB:21:22:24:27.28.26,THB:26:25:22:27.29.28,26:27:22:25.24.31,29:30:24:27.28.26,29:27:24:22.30.31,(14.15,-7.57,;12.83,-8.34,;11.5,-9.12,;10.17,-8.37,;8.85,-9.14,;8.85,-10.68,;7.52,-8.37,;7.52,-9.91,;7.52,-6.84,;6.63,-5.56,;5.11,-5.79,;4.43,-4.41,;5.51,-3.33,;5.46,-1.8,;6.74,-.97,;8.11,-1.69,;8.18,-3.22,;6.88,-4.04,;6.18,-9.13,;4.85,-8.37,;4.85,-6.82,;3.51,-9.12,;2.19,-8.34,;2.19,-6.8,;.87,-6.03,;-.47,-6.79,;-2.44,-6.85,;-1.1,-7.62,;.87,-7.93,;-.69,-9.11,;.84,-9.11,;-.48,-8.32,;12.82,-6.81,;14.15,-6.03,;14.13,-4.48,;15.49,-6.77,;16.82,-6,;18.16,-6.77,;18.34,-8.29,;19.86,-8.6,;20.61,-7.26,;22.15,-7.08,;19.58,-6.12,;14.17,-9.11,;14.17,-10.64,;15.51,-11.41,;16.84,-10.63,;16.82,-9.09,;15.49,-8.32,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCn1nn[nH]c1=S)c1ccccc1 |TLB:25:24:22:19.18.20,THB:15:16:22:19.18.20,20:19:16:21.23.22,20:21:16:19.18.25,25:19:16.24.23:22|
[H][C@](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1 |wU:1.36,wD:6.7,1.0,TLB:21:22:24:27.28.26,THB:26:25:22:27.29.28,26:27:22:25.24.31,29:30:24:27.28.26,29:27:24:22.30.31,(5.59,-7.16,;4.27,-7.93,;2.94,-8.7,;1.6,-7.94,;.28,-8.71,;.28,-10.24,;-1.05,-7.94,;-1.06,-9.47,;-1.04,-6.39,;-1.93,-5.12,;-3.45,-5.35,;-4.13,-3.97,;-3.05,-2.89,;-3.1,-1.35,;-1.81,-.52,;-.44,-1.24,;-.37,-2.78,;-1.67,-3.6,;-2.39,-8.69,;-3.72,-7.93,;-3.71,-6.39,;-5.07,-8.67,;-6.39,-7.9,;-6.39,-6.36,;-7.71,-5.57,;-9.05,-6.32,;-11.02,-6.39,;-9.68,-7.16,;-7.82,-7.41,;-9.28,-8.64,;-7.74,-8.65,;-9.07,-7.87,;4.26,-6.39,;5.6,-5.61,;5.58,-4.07,;6.93,-6.37,;8.27,-5.59,;8.27,-4.05,;9.61,-6.36,;9.79,-7.88,;11.3,-8.21,;12.07,-6.85,;11.03,-5.72,;5.6,-8.69,;5.61,-10.24,;6.94,-11.01,;8.28,-10.22,;8.26,-8.67,;6.93,-7.92,)|
[H][C@](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)Cc1cc(O)no1)c1ccccc1 |wU:1.36,wD:6.7,1.0,TLB:21:22:29:25.31.26,24:25:22.23.28:29,THB:26:25:22:27.28.29,26:27:22:25.24.31,24:23:29:25.31.26,(18.39,-8.83,;17.06,-9.61,;15.75,-10.38,;14.41,-9.63,;13.08,-10.4,;13.08,-11.93,;11.76,-9.63,;11.74,-11.17,;11.76,-8.09,;10.87,-6.81,;9.34,-7.05,;8.66,-5.68,;9.75,-4.6,;9.68,-3.05,;10.97,-2.22,;12.35,-2.94,;12.41,-4.48,;11.11,-5.3,;10.42,-10.38,;9.09,-9.63,;9.09,-8.09,;7.74,-10.37,;6.42,-9.61,;5.07,-10.36,;3.54,-10.36,;3.12,-8.88,;1.79,-8.11,;3.75,-8.04,;3.75,-9.59,;5.09,-7.28,;6.42,-8.06,;4.61,-8.74,;17.05,-8.06,;18.38,-7.28,;18.37,-5.75,;19.7,-8.04,;21.05,-7.26,;21.2,-5.71,;22.7,-5.39,;23.33,-3.97,;23.5,-6.71,;22.47,-7.85,;18.39,-10.36,;19.73,-9.59,;21.06,-10.34,;21.08,-11.88,;19.75,-12.67,;18.41,-11.9,)|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCS([O-])(=O)=O)c1ccccc1 |TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,18:17:23:19.25.20|
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1c[nH]nn1)c1ccccc1 |TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1 |wU:30.35,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(9.64,-6.1,;9.64,-4.56,;9.66,-3.02,;8.75,-1.74,;7.23,-1.98,;6.55,-.59,;7.64,.48,;7.58,2.02,;8.87,2.85,;10.24,2.13,;10.3,.6,;9.01,-.22,;8.31,-5.32,;6.97,-4.56,;6.97,-3.01,;5.63,-5.31,;4.3,-4.53,;2.96,-5.3,;1.63,-4.51,;1.65,-2.98,;-.32,-3.03,;1.02,-3.81,;1.41,-5.3,;2.49,-3.4,;4.3,-2.98,;2.98,-2.21,;10.98,-5.33,;10.98,-6.87,;12.31,-4.56,;13.64,-5.31,;14.96,-4.53,;14.96,-3,;16.28,-2.21,;16.27,-.66,;17.61,-2.96,;18.95,-2.19,;20.3,-2.95,;21.64,-2.16,;21.62,-.62,;22.98,-2.93,;24.32,-2.14,;21.89,-4.03,;23,-4.48,;16.3,-5.3,;17.63,-4.52,;18.96,-5.27,;18.97,-6.82,;17.65,-7.6,;16.3,-6.83,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nnc[nH]1)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(12.99,-8.61,;12.99,-7.06,;12.99,-5.53,;12.1,-4.25,;10.58,-4.49,;9.9,-3.1,;10.98,-2.02,;10.92,-.49,;12.21,.34,;13.58,-.38,;13.65,-1.91,;12.35,-2.73,;11.65,-7.83,;10.32,-7.06,;10.32,-5.52,;8.98,-7.81,;7.65,-7.04,;7.65,-5.49,;6.33,-4.72,;4.99,-5.49,;3.02,-5.54,;4.34,-6.31,;5.84,-5.91,;4.77,-7.81,;6.31,-7.81,;4.98,-7.02,;14.32,-7.84,;14.32,-9.38,;15.64,-7.06,;16.98,-7.81,;18.31,-7.04,;18.29,-5.51,;19.63,-4.72,;19.6,-3.17,;20.96,-5.47,;22.3,-4.7,;23.65,-5.45,;25,-6.22,;25.18,-7.74,;26.68,-8.05,;27.45,-6.71,;26.4,-5.56,;19.64,-7.81,;19.65,-9.34,;20.99,-10.11,;22.32,-9.33,;22.3,-7.78,;20.96,-7.03,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(9.64,-6.92,;9.64,-5.38,;9.66,-3.84,;8.75,-2.56,;7.23,-2.8,;6.55,-1.41,;7.64,-.34,;7.58,1.2,;8.87,2.03,;10.24,1.31,;10.3,-.22,;9.01,-1.04,;8.31,-6.14,;6.97,-5.38,;6.97,-3.83,;5.63,-6.13,;4.3,-5.35,;4.3,-3.81,;2.98,-3.03,;1.65,-3.8,;-.32,-3.85,;1.02,-4.63,;2.49,-4.22,;1.41,-6.12,;2.96,-6.12,;1.63,-5.33,;10.98,-6.15,;10.98,-7.69,;12.31,-5.38,;13.64,-6.13,;14.96,-5.35,;14.96,-3.82,;16.28,-3.03,;16.27,-1.48,;17.61,-3.78,;18.95,-3.01,;20.3,-3.77,;21.64,-2.98,;20.53,-1.88,;22.72,-1.88,;22.98,-3.75,;23,-5.3,;24.32,-2.96,;21.89,-4.85,;16.3,-6.12,;16.3,-7.65,;17.65,-8.42,;18.97,-7.63,;18.96,-6.09,;17.63,-5.34,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(O)(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(8.8,-9.36,;8.82,-7.82,;8.83,-6.28,;7.93,-5,;6.4,-5.23,;5.72,-3.86,;6.81,-2.78,;6.75,-1.24,;8.03,-.4,;9.41,-1.13,;9.48,-2.67,;8.17,-3.48,;7.47,-8.59,;6.14,-7.82,;6.14,-6.28,;4.81,-8.57,;3.48,-7.8,;3.48,-6.25,;2.15,-5.47,;.82,-6.24,;-1.16,-6.3,;.19,-7.07,;1.66,-6.66,;.59,-8.56,;2.13,-8.56,;.8,-7.78,;10.15,-8.59,;10.15,-10.13,;11.48,-7.82,;12.82,-8.57,;14.14,-7.8,;14.12,-6.26,;15.45,-5.47,;15.43,-3.93,;16.78,-6.23,;18.11,-5.44,;19.21,-6.53,;19.44,-4.67,;17.34,-4.11,;15.48,-8.56,;15.48,-10.1,;16.82,-10.86,;18.15,-10.09,;18.14,-8.54,;16.8,-7.78,)|
CCOP(O)(=O)CC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |wU:10.9,TLB:30:31:33:36.37.35,THB:38:39:33:36.37.35,38:36:33:31.39.40,35:34:31:36.38.37,35:36:31:34.33.40,(26.18,-4.98,;24.95,-4.04,;23.53,-4.63,;22.31,-3.69,;23.53,-2.75,;21.37,-2.46,;20.98,-4.48,;19.65,-3.72,;19.63,-2.18,;18.32,-4.51,;18.34,-6.05,;17.02,-6.82,;15.68,-6.07,;14.35,-6.84,;14.35,-8.38,;13.02,-6.07,;13,-7.61,;13.03,-4.53,;12.13,-3.25,;10.6,-3.48,;9.92,-2.11,;11.01,-1.03,;10.95,.51,;12.23,1.35,;13.61,.62,;13.68,-.92,;12.37,-1.73,;11.67,-6.84,;10.34,-6.07,;10.34,-4.53,;9.01,-6.82,;7.68,-6.05,;7.68,-4.5,;6.35,-3.72,;5.02,-4.49,;3.04,-4.55,;4.39,-5.32,;5.86,-4.91,;4.79,-6.81,;6.33,-6.81,;5,-6.03,;19.68,-6.81,;21,-6.03,;22.34,-6.79,;22.35,-8.34,;21.02,-9.11,;19.68,-8.35,)|
CONC(=O)CCC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |wU:10.9,TLB:30:31:33:36.37.35,THB:38:39:33:36.37.35,38:36:33:31.39.40,35:34:31:36.38.37,35:36:31:34.33.40,(24.33,-6.87,;24.3,-5.33,;22.97,-4.55,;21.63,-5.35,;21.65,-6.9,;20.29,-4.58,;18.95,-5.36,;17.62,-4.6,;17.6,-3.07,;16.28,-5.4,;16.29,-6.93,;14.98,-7.71,;13.64,-6.94,;12.31,-7.72,;12.31,-9.26,;10.99,-6.96,;10.97,-8.49,;11,-5.42,;10.1,-4.13,;8.57,-4.37,;7.9,-3,;8.98,-1.92,;8.91,-.38,;10.2,.46,;11.58,-.27,;11.64,-1.8,;10.34,-2.62,;9.64,-7.72,;8.32,-6.94,;8.32,-5.41,;6.97,-7.71,;5.65,-6.93,;5.65,-5.39,;4.32,-4.6,;2.98,-5.37,;1.02,-5.44,;2.35,-6.19,;3.83,-5.79,;2.76,-7.69,;4.3,-7.69,;2.98,-6.91,;17.63,-7.69,;18.96,-6.92,;20.3,-7.67,;20.3,-9.22,;18.98,-9.99,;17.64,-9.23,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NO)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(9.29,-10.11,;9.29,-8.57,;9.29,-7.02,;8.4,-5.75,;6.88,-5.98,;6.2,-4.6,;7.28,-3.53,;7.22,-1.98,;8.51,-1.15,;9.88,-1.86,;9.95,-3.41,;8.65,-4.23,;7.95,-9.32,;6.62,-8.56,;6.62,-7.02,;5.28,-9.31,;3.95,-8.54,;3.95,-7,;2.63,-6.21,;1.29,-6.97,;-.68,-7.04,;.66,-7.81,;2.13,-7.4,;1.06,-9.29,;2.6,-9.29,;1.27,-8.52,;10.62,-9.33,;10.62,-10.87,;11.94,-8.56,;13.28,-9.32,;14.61,-8.54,;14.6,-7,;15.93,-6.21,;15.91,-4.67,;17.27,-6.97,;18.61,-6.19,;19.94,-6.95,;19.97,-8.5,;21.28,-6.17,;22.63,-6.93,;15.95,-9.29,;15.96,-10.84,;17.29,-11.61,;18.63,-10.82,;18.61,-9.27,;17.27,-8.52,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCc1nnn[nH]1)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(10.08,-15.84,;10.09,-14.29,;10.1,-12.76,;9.2,-11.48,;7.68,-11.72,;7,-10.34,;8.09,-9.26,;8.02,-7.73,;9.31,-6.89,;10.69,-7.61,;10.75,-9.14,;9.45,-9.96,;8.76,-15.06,;7.42,-14.29,;7.42,-12.75,;6.07,-15.04,;4.75,-14.27,;4.75,-12.73,;3.43,-11.95,;2.09,-12.72,;.13,-12.77,;1.46,-13.55,;2.95,-13.14,;1.87,-15.04,;3.4,-15.04,;2.08,-14.25,;11.41,-15.07,;11.41,-16.61,;12.75,-14.29,;14.08,-15.04,;15.4,-14.27,;15.39,-12.74,;16.72,-11.95,;16.71,-10.41,;18.06,-12.7,;19.39,-11.93,;20.74,-12.69,;22.28,-12.65,;22.8,-14.11,;21.58,-15.04,;20.29,-14.17,;16.73,-15.04,;16.75,-16.57,;18.09,-17.34,;19.42,-16.56,;19.4,-15.01,;18.07,-14.26,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccccc1 |wU:30.35,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:20:21:16:19.18.25,20:19:16:21.23.22,18:17:23:19.25.20,(8.47,-8.68,;8.47,-7.15,;8.48,-5.61,;7.58,-4.32,;6.05,-4.55,;5.37,-3.19,;6.47,-2.11,;6.4,-.57,;7.69,.27,;9.07,-.45,;9.12,-1.99,;7.83,-2.81,;7.13,-7.9,;5.8,-7.13,;5.8,-5.6,;4.46,-7.9,;3.12,-7.12,;3.12,-5.58,;1.81,-4.79,;.48,-5.56,;-1.49,-5.62,;-.16,-6.38,;1.32,-5.98,;.24,-7.88,;1.79,-7.88,;.45,-7.1,;9.8,-7.9,;9.8,-9.45,;11.13,-7.13,;12.47,-7.9,;13.79,-7.12,;13.78,-5.58,;15.1,-4.79,;15.09,-3.26,;16.43,-5.55,;17.77,-4.76,;19.12,-5.54,;20.45,-4.74,;19.35,-3.64,;21.54,-3.64,;21.8,-5.51,;21.8,-7.06,;23.15,-7.83,;24.49,-7.04,;24.47,-5.48,;23.13,-4.72,;15.12,-7.88,;16.45,-7.11,;17.78,-7.86,;17.79,-9.4,;16.47,-10.18,;15.12,-9.42,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)Nc1nnn[nH]1)c1ccccc1 |wU:30.35,TLB:25:24:22:19.18.20,THB:15:16:22:19.18.20,20:19:16:21.22.23,20:21:16:19.18.25,25:19:22:16.24.23,(5.37,-5.89,;5.39,-4.34,;5.4,-2.81,;4.5,-1.53,;2.98,-1.76,;2.3,-.38,;3.38,.69,;3.31,2.23,;4.6,3.06,;5.98,2.34,;6.04,.81,;4.74,-.01,;4.05,-5.11,;2.72,-4.33,;2.72,-2.8,;1.37,-5.09,;.05,-4.32,;.05,-2.77,;-1.76,-3.17,;-3.25,-3.58,;-4.58,-2.82,;-2.62,-2.76,;-1.28,-2,;-2.62,-4.29,;-1.3,-5.08,;-2.83,-5.08,;6.71,-5.11,;6.71,-6.65,;8.04,-4.33,;9.38,-5.09,;10.69,-4.32,;10.68,-2.79,;12.02,-2,;12,-.45,;13.35,-2.75,;14.69,-1.98,;16.03,-2.74,;16.05,-4.29,;17.37,-1.95,;18.7,-2.72,;20.12,-2.07,;21.16,-3.21,;20.4,-4.55,;18.89,-4.25,;12.02,-5.08,;12.04,-6.61,;13.38,-7.39,;14.71,-6.61,;14.7,-5.06,;13.36,-4.31,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1ccccc1O)c1ccccc1 |TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(C)(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(11.35,-13.19,;11.36,-11.65,;11.37,-10.11,;10.48,-8.83,;8.94,-9.06,;8.27,-7.68,;9.36,-6.61,;9.29,-5.07,;10.58,-4.23,;11.95,-4.95,;12.02,-6.49,;10.72,-7.31,;10.02,-12.41,;8.69,-11.64,;8.69,-10.1,;7.35,-12.4,;6.02,-11.63,;6.02,-10.08,;4.7,-9.29,;3.36,-10.06,;1.38,-10.13,;2.73,-10.9,;4.21,-10.48,;3.13,-12.39,;4.67,-12.39,;3.34,-11.6,;12.69,-12.42,;12.69,-13.96,;14.02,-11.64,;15.36,-12.4,;16.68,-11.63,;16.67,-10.09,;18,-9.29,;17.97,-7.75,;19.33,-10.06,;20.66,-9.27,;21.59,-10.51,;21.87,-8.33,;19.72,-8.03,;18.02,-12.39,;18.02,-13.93,;19.37,-14.68,;20.7,-13.91,;20.68,-12.37,;19.34,-11.6,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(O)(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(11.9,-7.66,;11.91,-6.12,;11.91,-4.58,;11.02,-3.31,;9.5,-3.55,;8.8,-2.17,;9.9,-1.08,;9.83,.46,;11.13,1.28,;12.51,.58,;12.56,-.96,;11.27,-1.8,;10.57,-6.89,;9.22,-6.12,;9.22,-4.58,;7.89,-6.88,;6.56,-6.1,;6.56,-4.56,;5.23,-3.78,;3.9,-4.53,;1.94,-4.6,;3.27,-5.37,;4.76,-4.97,;3.67,-6.87,;5.21,-6.87,;3.88,-6.07,;13.24,-6.89,;13.24,-8.43,;14.57,-6.12,;15.9,-6.88,;17.23,-6.1,;17.22,-4.56,;18.53,-3.78,;18.52,-2.24,;19.86,-4.53,;21.21,-3.74,;22.55,-4.5,;23.91,-5.23,;22.2,-6,;23.29,-3.13,;18.56,-6.87,;18.57,-8.41,;19.91,-9.17,;21.24,-8.38,;21.22,-6.84,;19.89,-6.09,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(C)(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(13.35,-7.14,;13.36,-5.6,;13.37,-4.06,;12.48,-2.78,;10.95,-3.02,;10.27,-1.64,;11.36,-.56,;11.3,.98,;12.58,1.81,;13.96,1.1,;14.03,-.44,;12.72,-1.27,;12.02,-6.35,;10.69,-5.58,;10.69,-4.04,;9.35,-6.35,;8.02,-5.57,;8.02,-4.02,;6.7,-3.25,;5.36,-4.01,;3.39,-4.07,;4.73,-4.84,;6.21,-4.44,;5.14,-6.33,;6.68,-6.33,;5.35,-5.55,;14.69,-6.37,;14.69,-7.91,;16.02,-5.58,;17.36,-6.35,;18.68,-5.57,;18.67,-4.04,;20,-3.25,;19.97,-1.71,;21.33,-4,;22.66,-3.22,;24,-3.97,;23.19,-5.29,;25.31,-4.77,;24.8,-2.64,;20.02,-6.33,;21.34,-5.56,;22.68,-6.31,;22.69,-7.86,;21.37,-8.64,;20.02,-7.87,)|
O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.37,wD:31.41,35.38,29.43,t:18,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:33:28:31.36.30,(5.05,-4.21,;5.78,-5.56,;7.35,-5.59,;8.13,-4.24,;6.88,-3.35,;7.04,-1.81,;5.88,-.81,;6.49,.6,;8.03,.47,;9.15,1.5,;10.63,1.05,;10.95,-.49,;9.82,-1.52,;8.35,-1.04,;9.6,-4.66,;10.15,-6.07,;11.69,-6.01,;12.07,-4.5,;13.61,-4.41,;14.48,-5.69,;15.85,-4.95,;17.14,-5.78,;18.49,-5.08,;18.57,-3.54,;17.26,-2.71,;15.89,-3.44,;10.79,-3.67,;5.01,-6.88,;3.47,-6.84,;3.47,-8.38,;2.45,-9.63,;1.06,-9.09,;-.44,-9.51,;.75,-8.22,;.75,-6.75,;2.1,-6.27,;1.04,-7.48,;2.06,-8.7,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 |wU:21.23,wD:19.27,23.24,17.29,TLB:15:16:18:21.25.20,THB:20:21:16:19.24.18,22:23:18:21.25.20,22:21:16.23.24:18,(8.5,-3.74,;7.75,-2.42,;6.5,-1.52,;6.66,.02,;5.48,1.05,;6.12,2.47,;7.65,2.3,;8.79,3.34,;10.26,2.88,;10.59,1.37,;9.43,.32,;7.99,.79,;6.96,-3.74,;5.41,-3.73,;4.67,-2.38,;4.64,-5.05,;3.1,-5.02,;3.1,-6.54,;2.07,-7.82,;.65,-7.25,;-.84,-7.66,;.36,-6.4,;.35,-4.92,;1.7,-4.44,;.65,-5.67,;1.68,-6.89,;9.27,-2.29,;9.95,-.91,;10.14,-3.58,;11.67,-3.47,;12.54,-4.74,;13.9,-4.03,;13.97,-2.49,;15.32,-1.78,;16.64,-2.6,;16.57,-4.15,;15.21,-4.87,)|
CCOC(=O)CCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:40.48,wD:38.40,42.44,36.49,TLB:34:35:41:38.43.39,THB:37:36:41:38.43.39,37:38:41:35.36.44,39:40:35:38.43.37,(17.79,-15.28,;17.38,-13.79,;15.9,-13.4,;15.51,-11.91,;16.6,-10.82,;14.01,-11.51,;13.62,-10.02,;12.14,-9.61,;11.05,-10.7,;11.73,-8.13,;12.82,-7.04,;14.3,-7.43,;15.39,-6.34,;14.97,-4.86,;16.05,-3.77,;17.54,-4.15,;17.96,-5.63,;16.87,-6.72,;10.86,-6.85,;9.35,-6.98,;10.11,-8.29,;8.1,-6.08,;8.26,-4.54,;7.11,-3.51,;7.72,-2.1,;9.26,-2.26,;10.38,-1.22,;11.86,-1.68,;12.18,-3.19,;11.05,-4.24,;9.58,-3.77,;8.57,-8.29,;7.03,-8.28,;6.27,-6.94,;6.24,-9.6,;4.7,-9.57,;4.7,-11.09,;3.67,-12.37,;2.28,-11.79,;.78,-12.21,;1.97,-10.93,;1.97,-9.45,;3.32,-8.99,;2.26,-10.22,;3.29,-11.44,)|
OCC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:31.33,35.37,wD:33.41,29.32,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.63,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.34,-8.02,;19.8,-8.13,;15.22,-8.47,;14.54,-9.86,;14.35,-7.2,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)|
COC(=O)CCC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 |wU:33.34,37.38,wD:9.8,35.42,31.33,TLB:29:30:36:33.38.34,THB:32:31:36:33.38.34,32:33:36:30.31.39,(24.56,-12.48,;23.08,-12.88,;21.98,-11.81,;22.34,-10.31,;20.48,-12.24,;19.39,-11.15,;17.92,-11.56,;17.53,-13.07,;16.79,-10.5,;17.18,-9.02,;16.31,-7.74,;14.77,-7.84,;13.9,-6.58,;14.58,-5.2,;12.4,-6.69,;13.16,-8.02,;11.15,-5.79,;11.31,-4.25,;10.15,-3.24,;10.76,-1.83,;12.3,-1.97,;13.42,-.94,;14.9,-1.39,;15.22,-2.92,;14.09,-3.96,;12.62,-3.48,;11.62,-8.02,;10.08,-8,;9.32,-6.65,;9.28,-9.32,;7.74,-9.28,;6.36,-8.71,;5.02,-9.19,;5.02,-10.66,;3.83,-11.94,;5.31,-11.52,;6.72,-12.08,;7.74,-10.81,;6.33,-11.15,;5.31,-9.93,;18.55,-8.29,;19.84,-9.12,;21.21,-8.42,;21.27,-6.88,;19.96,-6.04,;18.59,-6.77,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=S)NCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.61,;13.1,-7.28,;11.85,-6.38,;12.01,-4.84,;10.85,-3.83,;11.49,-2.42,;13,-2.57,;14.15,-1.52,;15.6,-1.99,;15.95,-3.51,;14.8,-4.53,;13.35,-4.07,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.52,;6.04,-12.11,;7.44,-12.67,;8.47,-11.4,;7.06,-11.74,;6.03,-10.52,;14.63,-7.17,;15.3,-5.79,;15.5,-8.44,;17.01,-8.32,;17.88,-9.6,;19.26,-8.89,;19.31,-7.36,;20.67,-6.64,;21.99,-7.45,;21.92,-8.99,;20.54,-9.72,)|
OCC(Cc1ccccc1)NCC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:30.39,28.41,34.36,wD:32.35,TLB:26:27:29:32.36.31,THB:31:32:27:30.29.35,33:34:29:32.36.31,33:32:29:27.34.35,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)|
OCC(Cc1ccccc1)OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.41,35.39,29.32,wD:31.33,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)|
CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.41,35.39,29.32,wD:31.33,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,32:31:28:33.34.37,(14.82,-9.82,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,;14.63,-7.15,;15.3,-5.77,;13.1,-7.26,;13.87,-8.6,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,)|
CN(C(CO)Cc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:32.34,36.38,wD:34.42,30.33,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(14.54,-9.86,;15.22,-8.47,;16.76,-8.35,;17.43,-6.97,;18.97,-6.87,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;14.35,-7.2,;15.02,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)|
CC(CN(CCc1ccccc1)C(=O)CCC(O)=O)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:36.45,wD:38.41,34.37,40.44,TLB:32:33:35:38.42.37,THB:39:40:35:38.42.37,39:38:35:33.40.41,37:36:33:38.42.39,(13.58,-7.52,;12.82,-6.21,;14.33,-6.08,;15.2,-7.36,;16.68,-6.91,;17.8,-7.96,;19.28,-7.51,;19.62,-6.02,;21.07,-5.57,;22.22,-6.61,;21.88,-8.12,;20.4,-8.55,;15.2,-8.91,;13.85,-9.67,;16.52,-9.68,;16.52,-11.22,;17.83,-11.99,;17.83,-13.53,;19.18,-11.24,;11.57,-5.31,;11.73,-3.77,;10.57,-2.74,;11.18,-1.33,;12.73,-1.49,;13.85,-.45,;15.33,-.91,;15.65,-2.42,;14.51,-3.47,;13.05,-3,;12.04,-7.52,;10.5,-7.51,;9.74,-6.17,;9.71,-8.83,;8.17,-8.8,;6.79,-8.22,;5.44,-8.68,;5.44,-10.18,;4.25,-11.44,;5.75,-11.02,;7.14,-11.6,;8.17,-10.32,;6.75,-10.67,;5.73,-9.45,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)SCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.51,;6.04,-12.09,;7.44,-12.65,;8.47,-11.39,;7.06,-11.72,;6.03,-10.5,;14.63,-7.15,;15.3,-5.77,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;19.31,-7.35,;20.67,-6.62,;21.98,-7.45,;21.92,-8.99,;20.54,-9.7,)|
OCC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:33.41,31.33,35.39,wD:29.32,TLB:27:28:37.33.32:30,THB:34:33:28.36.35:30,34:35:37.33.32:30,(-1.5,-4.52,;-2.98,-4.08,;-3.35,-2.59,;-4.82,-2.15,;-5.94,-3.22,;-5.57,-4.71,;-6.69,-5.78,;-8.17,-5.34,;-8.53,-3.85,;-7.42,-2.78,;-2.23,-1.52,;-3.41,-.53,;-.75,-1.96,;.36,-.89,;-0,.6,;-1.48,1.04,;-2.7,.1,;-3.97,.96,;-3.54,2.44,;-4.35,3.75,;-3.62,5.11,;-2.08,5.15,;-1.27,3.84,;-2,2.49,;1.84,-1.33,;2.95,-.26,;2.59,1.23,;4.43,-.7,;5.54,.37,;6.92,1.06,;8.29,.37,;9.13,1.84,;9.13,3.24,;7.76,3.93,;6.38,3.24,;6.38,1.84,;7.76,1.14,;6.92,2.46,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C1SC(CCc2ccccc2)C=N1 |wU:19.27,wD:21.23,17.19,23.26,c:43,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:19:16:21.25.22,(.45,-8.95,;.06,-7.45,;-1.19,-6.55,;-1.03,-5.01,;-2.18,-4.02,;-1.57,-2.61,;-.03,-2.73,;1.09,-1.71,;2.56,-2.16,;2.88,-3.7,;1.74,-4.72,;.29,-4.24,;-.73,-8.79,;-2.26,-8.76,;-3.01,-7.41,;-3.04,-10.07,;-4.58,-10.04,;-5.96,-9.46,;-7.31,-9.95,;-7.31,-11.42,;-8.49,-12.7,;-7.01,-12.28,;-5.61,-12.83,;-4.58,-11.58,;-5.99,-11.9,;-7.02,-10.68,;1.54,-7.86,;2.72,-6.87,;4.01,-7.7,;5.54,-7.61,;6.41,-8.89,;7.77,-8.15,;7.82,-6.64,;9.18,-5.91,;10.49,-6.74,;10.42,-8.28,;9.07,-8.98,;3.62,-9.21,;2.08,-9.27,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)\C=C\CCc1ccccc1 |wU:21.28,wD:19.20,23.24,17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:21:16:19.24.18,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,;14.63,-7.15,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,)|
CC(CNCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.38,wD:31.34,27.30,33.37,TLB:25:26:28:31.35.30,THB:32:33:28:31.35.30,32:31:28:26.33.34,30:29:26:31.35.32,(13.64,-8.63,;12.89,-7.3,;14.42,-7.18,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;6.85,-9.3,;5.48,-9.79,;5.51,-11.27,;4.31,-12.55,;5.8,-12.13,;7.21,-12.7,;8.24,-11.43,;6.83,-11.77,;5.8,-10.55,)|
CC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:34.42,30.33,wD:32.34,36.38,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(15.35,-10.75,;14.04,-9.98,;12.69,-10.73,;14.04,-8.44,;15.51,-7.99,;16.64,-9.03,;18.11,-8.58,;18.46,-7.09,;19.91,-6.64,;21.06,-7.68,;20.71,-9.19,;19.24,-9.64,;13.17,-7.17,;11.66,-7.29,;12.42,-8.61,;10.41,-6.39,;10.57,-4.85,;9.42,-3.83,;10.02,-2.42,;11.57,-2.57,;12.69,-1.52,;14.17,-1.99,;14.49,-3.51,;13.35,-4.54,;11.89,-4.08,;10.88,-8.6,;9.34,-8.58,;8.58,-7.23,;8.55,-9.9,;7.01,-9.86,;7.01,-11.41,;5.98,-12.68,;4.59,-12.11,;3.09,-12.53,;4.28,-11.24,;4.28,-9.77,;5.63,-9.29,;4.57,-10.53,;5.6,-11.75,)|
COC(=O)C=CC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 |w:4.3,wU:33.34,31.43,37.38,wD:9.8,35.42,TLB:29:30:36:33.38.34,THB:34:35:30:33.32.38,32:31:36:33.38.34,32:33:30.31.39:36,(24.56,-12.48,;23.08,-12.88,;21.98,-11.81,;22.34,-10.31,;20.48,-12.24,;19.39,-11.15,;17.92,-11.56,;17.53,-13.07,;16.79,-10.5,;17.18,-9.02,;16.31,-7.74,;14.77,-7.84,;13.9,-6.58,;14.58,-5.2,;12.4,-6.69,;13.16,-8.02,;11.15,-5.79,;11.31,-4.25,;10.15,-3.24,;10.76,-1.83,;12.3,-1.97,;13.42,-.94,;14.9,-1.39,;15.22,-2.92,;14.09,-3.96,;12.62,-3.48,;11.62,-8.02,;10.08,-8,;9.32,-6.65,;9.28,-9.32,;7.74,-9.28,;6.36,-8.71,;5.02,-9.19,;5.02,-10.66,;3.83,-11.94,;5.31,-11.52,;6.72,-12.08,;7.74,-10.81,;6.33,-11.15,;5.31,-9.93,;18.55,-8.29,;19.84,-9.12,;21.21,-8.42,;21.27,-6.88,;19.96,-6.04,;18.59,-6.77,)|
CC(CCCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:31.39,wD:29.31,33.35,27.40,TLB:25:26:32:29.34.30,THB:28:27:32:29.34.30,28:29:32:26.27.35,30:31:26:29.34.28,(13.87,-8.6,;13.1,-7.26,;14.63,-7.15,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,)|
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)OCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.51,;6.04,-12.09,;7.44,-12.65,;8.47,-11.39,;7.06,-11.72,;6.03,-10.5,;14.63,-7.15,;15.3,-5.77,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;19.31,-7.35,;20.67,-6.62,;21.98,-7.45,;21.92,-8.99,;20.54,-9.7,)|
OCC(Cc1ccccc1)NC(=S)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;19.81,-8.13,;21.35,-8.02,;22.21,-9.28,;21.54,-10.68,;20.02,-10.79,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)|
CCOC(=O)CCCCCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:43.51,39.42,wD:41.43,45.47,TLB:37:38:44:41.46.42,THB:40:39:44:41.46.42,40:41:44:38.39.47,(15.82,-18.44,;14.48,-17.65,;14.5,-16.11,;13.16,-15.34,;11.84,-16.1,;13.18,-13.8,;11.85,-13.02,;11.87,-11.48,;10.53,-10.69,;10.55,-9.15,;9.22,-8.38,;7.87,-9.15,;9.24,-6.84,;10.69,-6.39,;11.81,-7.45,;13.29,-7,;14.41,-8.05,;15.89,-7.61,;16.24,-6.11,;15.11,-5.05,;13.64,-5.5,;8.37,-5.58,;6.84,-5.69,;7.61,-7.02,;5.59,-4.79,;5.75,-3.25,;4.6,-2.25,;5.23,-.83,;6.75,-.97,;7.89,.05,;9.35,-.4,;9.69,-1.92,;8.54,-2.96,;7.09,-2.48,;6.07,-7,;4.53,-7,;3.79,-5.66,;3.75,-8.32,;2.21,-8.29,;2.21,-9.82,;1.19,-11.08,;-.21,-10.52,;-1.72,-10.92,;-.51,-9.67,;-.53,-8.18,;.81,-7.71,;-.22,-8.93,;.8,-10.15,)|
CN([C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C1CCCCC1
CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1
CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1
CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12
CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C1CCCCC1
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C=C)c2)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(O)c2)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CN)c2)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(I)c2)C1=O)c1ccccc1 |r,c:9|
COc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:12|
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c1 |r,t:11|
COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:12|
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(Br)c2)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1 |r,c:9|
Clc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1 |r,t:10|
CN1c2ccccc2C(=N[C@@H](NC(=O)NCc2cccc(O)c2)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(OC(C)=O)c2)C1=O)c1ccccc1 |r,c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(N)c2)C1=O)c1ccccc1 |r,c:9|
CN1CCN(CC1)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:19|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:9|
CN1c2ccncc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)-c2ccccc2)C1=O)c1ccccc1 |c:9|
Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3nnn[nH]3)C2=O)cc1 |t:10|
COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCC(O)=O)C2=O)c1 |t:12|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1cccnc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C#N)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)C1=O)c1ccccc1 |c:9|
CCN(CC)CC(=O)OCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:19|
CN(C)CCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:13|
CN1c2ccccc2C(=NC(NC(=O)Nc2cc(C)cc(C)c2)C1=O)c1ccccc1 |c:9|
Cc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)Nc3ccncc3)C2=O)cc1 |t:10|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc3CCCc3c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccncc1 |c:9|
COC(=O)[C@H]1CCCN1OC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1 |c:22|
COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC[N+](C)(C)C)C2=O)c1 |t:12|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccnc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1 |c:9|
CN1c2cnccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
OC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:12|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(O)=O)C2=O)c1 |t:11|
Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)OCc3ccccc3)C2=O)cc1 |t:10|
Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 |t:10|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(N)nc2)C1=O)c1ccccc1 |c:9|
CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |c:16|
CN1c2ccccc2C(=NC(NC(=O)NCc2ccccc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |c:9|
CCOC(=O)CCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:15|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(Nc3ccccc3)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccccc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccncc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)NC(C)(C)C)C1=O)c1ccccc1 |c:9|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CC[N+](C)(C)CC3)C2=O)c1 |t:11|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C#C)C1=O)c1ccccc1 |c:9|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3ncc[nH]3)C2=O)c1 |t:11|
COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 |t:12|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(Cc3cnc[nH]3)C2=O)c1 |t:11|
Clc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1 |r,t:10|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(Br)c2)C1=O)c1ccccc1 |c:9|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)CCC(O)=O)C2=O)c1 |t:11|
C[C@H](NC(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O)c1ccccc1 |t:7|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(F)cc2)C1=O)c1ccccc1 |c:9|
COC(=O)Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |t:15|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(F)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc3ccccc3n2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc3ncccc3c2)C1=O)c1ccccc1 |c:9|
COc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cn1 |t:11|
COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCN(C)C)C2=O)c1 |t:12|
CCNC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:14|
CCOC(=O)CCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1 |c:15|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCO)C2=O)c1 |t:11|
CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1 |c:16|
COc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 |t:11|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccccn2)C1=O)c1ccccc1 |c:9|
COc1ccccc1NC(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:14|
CN1c2ccccc2C(=NC(NC(=O)NC2CCCCC2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 |c:9|
CCN(CC)C(=O)C(C)N1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:17|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9|
CN1c2ncccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Br)cc2)C1=O)c1ccccc1 |c:9|
Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCc3ccccc3)C2=O)cc1 |t:10|
Cc1nnc(CN2c3ccccc3C(=NC(NC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2)[nH]1 |c:14|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(C)=O)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(N)=O)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(C)c(C)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)NCc2cccc(c2)C(C)(C)O)C1=O)c1ccccc1 |c:9|
COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 |t:12|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(CC(O)=O)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2ccccc2[N+]([O-])=O)C1=O)c1ccccc1 |c:9|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)Nc3ccncc3)C2=O)c1 |t:11|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |c:9|
Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)ON3CCC[C@@H]3C(O)=O)C2=O)c1 |t:11|
COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |t:12|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)[N+]([O-])=O)C1=O)c1ccccc1 |c:9|
COc1cc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc(OC)c1 |t:10|
CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:16|
CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)N[C@@H](C)c2ccccc2)C1=O)c1ccccc1 |c:14|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)N[C@H](CO)Cc1ccccc1
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1F)C(=O)N[C@H](CO)Cc1ccccc1
CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:3.3,6.6,14.16,29.32,wD:41.45,1.0,TLB:8:6:44:1.43.2,8:1:44:9.6.5,THB:10:9:44:1.43.2,2:3:9:1.8.43,2:1:9:3.44.5,(9.27,-3.28,;10.78,-3.02,;9.99,-1.76,;10.9,-.65,;10.13,.67,;10.64,-2.25,;11.48,-3.6,;12.2,-4.96,;10.41,-4.75,;12.97,-3.35,;13.98,-4.49,;15.5,-4.18,;15.98,-2.72,;16.54,-5.32,;18.04,-4.99,;19.38,-4.22,;18.9,-2.94,;18.2,-1.17,;19.34,-.14,;18.71,1.27,;17.18,1.11,;16.04,2.14,;14.57,1.66,;14.25,.16,;15.4,-.87,;16.86,-.4,;19.08,-6.13,;18.61,-7.6,;20.59,-5.8,;21.62,-6.94,;21.16,-8.41,;22.19,-9.54,;23.7,-9.22,;21.73,-11.01,;23.13,-6.61,;23.59,-5.14,;25.1,-4.81,;25.57,-3.35,;24.53,-2.21,;23.02,-2.54,;22.56,-4,;13.18,-1.74,;14.68,-1.42,;12.16,-2.75,;12.39,-.42,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1Cl)C2)C(=O)N[C@H](CO)Cc1ccccc1 |TLB:19:20:24:17.18.23,25:24:26.20.21:17.18.23,THB:19:18:24:26.20.21|
C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:32.35|
CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:20:15:18.17.24,19:18:15:20.21.22,(4.56,-2.63,;5.88,-3.4,;5.9,-1.86,;6.38,-.4,;5.47,.83,;6.38,2.09,;7.84,1.6,;9.18,2.4,;10.5,1.63,;10.5,.06,;9.18,-.71,;7.84,.06,;4.79,-4.47,;3.3,-4.07,;2.92,-2.58,;1.9,-4.75,;.46,-3.99,;-1.03,-4.3,;-1.34,-5.79,;-.6,-7.01,;.87,-6.71,;1.09,-5.3,;2.35,-7.61,;1.65,-6.23,;.08,-6.56,;7.22,-4.17,;8.53,-3.4,;7.2,-5.71,;8.53,-6.48,;9.86,-5.69,;11.2,-6.45,;12.52,-5.68,;12.51,-4.14,;13.86,-6.42,;15.19,-5.65,;16.53,-6.4,;17.87,-5.61,;16.56,-7.94,;8.53,-8.02,;9.86,-8.79,;11.23,-7.99,;12.51,-8.79,;12.51,-10.33,;11.18,-11.08,;9.85,-10.33,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C(=O)NCCc1ccccc1 |THB:21:20:17:22.24.23,21:22:17:20.25.19|
C[C@@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:32.35|
C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1 |w:32.35|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1Cl)C(=O)NCCc1ccccc1
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:29.34,1.0,wD:1.13,TLB:24:23:21:18.17.19,THB:13:15:21:18.17.19,24:18:21:15.23.22,19:20:15:18.17.24,19:18:15:20.21.22,(7.9,-1.29,;9.25,-2.06,;9.25,-.52,;9.73,.93,;8.83,2.18,;9.73,3.43,;11.21,2.95,;12.52,3.72,;13.87,2.95,;13.87,1.41,;12.52,.64,;11.21,1.41,;8.16,-3.14,;6.67,-2.74,;6.27,-1.25,;5.26,-3.38,;4.94,-4.86,;3.37,-5.11,;1.99,-4.3,;2.67,-5.55,;4.14,-5.29,;5.59,-6.27,;4.41,-3.89,;3.83,-2.58,;2.32,-2.82,;10.57,-2.83,;11.9,-2.06,;10.57,-4.37,;11.9,-5.14,;11.88,-6.67,;10.56,-7.45,;10.56,-8.99,;11.88,-9.76,;9.22,-9.75,;7.89,-8.98,;6.56,-9.75,;6.54,-11.29,;5.21,-8.98,;13.23,-7.45,;14.58,-6.65,;15.88,-7.45,;15.88,-8.99,;14.54,-9.76,;13.22,-8.99,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCCC1)C(=O)NCCc1ccccc1
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:18:15:20.21.22,19:20:15:18.17.24,(4.56,-2.64,;5.89,-3.41,;5.91,-1.86,;6.4,-.4,;5.48,.84,;6.4,2.09,;7.85,1.61,;9.19,2.4,;10.52,1.63,;10.52,.06,;9.19,-.71,;7.85,.06,;4.8,-4.48,;3.31,-4.08,;2.92,-2.58,;2,-4.9,;.46,-4.32,;-.99,-4.79,;-1.11,-6.3,;-.25,-7.44,;1.17,-6.98,;1.23,-5.56,;2.74,-7.73,;1.9,-6.41,;.39,-6.91,;7.23,-4.18,;8.55,-3.41,;7.21,-5.72,;8.55,-6.49,;9.88,-5.7,;11.22,-6.46,;12.55,-5.69,;12.54,-4.15,;13.89,-6.43,;15.21,-5.66,;16.56,-6.41,;17.9,-5.62,;16.59,-7.95,;8.55,-8.04,;9.88,-8.81,;11.25,-8,;12.54,-8.81,;12.54,-10.35,;11.2,-11.1,;9.87,-10.35,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:24:23:21:18.17.19,THB:13:15:21:18.17.19,24:18:15.23.22:21,19:18:15:20.22.21,19:20:15:18.17.24,(4.56,-2.64,;5.89,-3.41,;5.91,-1.86,;6.4,-.4,;5.48,.84,;6.4,2.09,;7.85,1.61,;9.19,2.4,;10.52,1.63,;10.52,.06,;9.19,-.71,;7.85,.06,;4.8,-4.48,;3.31,-4.08,;2.92,-2.58,;2,-4.9,;.46,-4.32,;1.23,-5.56,;1.17,-6.98,;-.25,-7.44,;-1.11,-6.3,;-.99,-4.79,;.39,-6.91,;1.9,-6.41,;2.74,-7.73,;7.23,-4.18,;8.55,-3.41,;7.21,-5.72,;8.55,-6.49,;9.88,-5.7,;11.22,-6.46,;12.55,-5.69,;12.54,-4.15,;13.89,-6.43,;15.21,-5.66,;16.56,-6.41,;17.9,-5.62,;16.59,-7.95,;8.55,-8.04,;9.88,-8.81,;11.25,-8,;12.54,-8.81,;12.54,-10.35,;11.2,-11.1,;9.87,-10.35,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 |wU:29.34,1.0,wD:1.13,TLB:21:16:24:20.22.19,21:20:15.16.17:24,THB:13:15:24:20.22.19,19:18:15:20.22.21,19:20:15:18.17.24,(7.9,-1.29,;9.25,-2.06,;9.25,-.52,;9.73,.93,;8.83,2.18,;9.73,3.43,;11.21,2.95,;12.52,3.72,;13.87,2.95,;13.87,1.41,;12.52,.64,;11.21,1.41,;8.16,-3.14,;6.67,-2.74,;6.27,-1.25,;5.26,-3.38,;3.83,-2.58,;4.41,-3.89,;4.14,-5.29,;2.67,-5.55,;1.99,-4.3,;2.32,-2.82,;3.37,-5.11,;4.94,-4.86,;5.59,-6.27,;10.57,-2.83,;11.9,-2.06,;10.57,-4.37,;11.9,-5.14,;11.88,-6.67,;10.56,-7.45,;10.56,-8.99,;11.88,-9.76,;9.22,-9.75,;7.89,-8.98,;6.56,-9.75,;6.54,-11.29,;5.21,-8.98,;13.23,-7.45,;14.58,-6.65,;15.88,-7.45,;15.88,-8.99,;14.54,-9.76,;13.22,-8.99,)|
C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:14.16,29.32,41.45,1.0,wD:14.15,6.6,3.3,TLB:8:6:44:1.43.2,8:1:9.6.5:44,10:9:1.8.43:3.5.44,THB:2:3:9:1.8.43,2:1:9:3.5.44,(.78,-3.99,;.75,-5.53,;-.6,-6,;-.58,-7.49,;-2.01,-6.93,;.74,-7.97,;2.13,-7.64,;3.09,-4.97,;2.15,-6.11,;1.12,-8.9,;2.61,-9.32,;3.7,-8.22,;3.41,-6.97,;5.18,-8.64,;6.27,-7.55,;4.94,-6.78,;6.3,-6.01,;6.78,-4.56,;5.87,-3.32,;6.78,-2.06,;8.25,-2.55,;9.57,-1.76,;10.91,-2.53,;10.91,-4.09,;9.57,-4.86,;8.25,-4.09,;7.6,-8.32,;8.93,-7.55,;7.6,-9.86,;8.93,-10.63,;10.25,-9.86,;11.79,-9.85,;12.56,-11.18,;12.56,-8.5,;8.93,-12.17,;10.27,-12.94,;10.25,-14.48,;11.58,-15.25,;12.91,-14.48,;12.91,-12.94,;11.59,-12.17,;-.28,-8.34,;-.37,-9.86,;-.29,-6.75,;-1.79,-8.77,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C(=O)N[C@H](CO)Cc1ccccc1 |TLB:19:20:24:18.17.23,THB:19:18:24:20.25.21|
C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:22:18.24.19,17:18:22:15.16.21,THB:17:16:22:18.24.19,19:20:15:18.17.24,19:18:15:20.22.21,(4.56,-2.63,;5.88,-3.4,;5.9,-1.86,;6.38,-.4,;5.47,.83,;6.38,2.09,;7.84,1.6,;9.18,2.4,;10.5,1.63,;10.5,.06,;9.18,-.71,;7.84,.06,;4.79,-4.47,;3.3,-4.07,;2.92,-2.58,;2,-4.89,;1.89,-6.4,;2.74,-7.71,;1.17,-6.96,;-.25,-7.42,;-1.11,-6.29,;.39,-6.9,;-.98,-4.78,;.46,-4.31,;1.23,-5.55,;7.22,-4.17,;8.53,-3.4,;7.2,-5.71,;8.53,-6.48,;9.86,-5.69,;11.4,-5.69,;12.17,-4.36,;12.17,-7.03,;8.53,-8.02,;9.86,-8.79,;9.85,-10.33,;11.18,-11.08,;12.51,-10.33,;12.51,-8.79,;11.23,-7.99,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:20:15:18.17.24,19:18:15:20.21.22,(7.54,-2.58,;8.87,-3.35,;8.89,-1.81,;9.37,-.36,;8.45,.89,;9.37,2.14,;10.82,1.66,;12.16,2.43,;13.49,1.66,;13.49,.12,;12.16,-.65,;10.82,.12,;7.77,-4.44,;6.27,-4.02,;5.9,-2.55,;4.88,-4.65,;3.44,-3.86,;1.92,-4.09,;1.57,-5.56,;2.26,-6.81,;3.73,-6.58,;4.01,-5.18,;5.2,-7.55,;4.53,-6.14,;2.95,-6.4,;10.2,-4.12,;11.52,-3.35,;10.18,-5.66,;11.52,-6.43,;12.84,-5.66,;14.18,-6.4,;11.52,-7.97,;12.84,-8.74,;12.83,-10.28,;14.16,-11.05,;15.5,-10.28,;15.5,-8.74,;14.21,-7.94,)|
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1cccnc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33|
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC(C)(C)C
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1
CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC12CC3CC(CC(C3)C1)C2 |TLB:60:61:65:59.58.64,THB:62:61:58:63.65.64,62:63:58:61.66.60,60:59:65:61.66.62|
CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:15.20,42.56,wD:2.1,23.40,TLB:66:65:63:60.59.61,THB:66:60:57.65.64:63,56:57:63:60.59.61,61:62:57:60.59.66,61:60:57:62.64.63,(21.52,-7.7,;20.99,-9.32,;22.2,-10.21,;22.2,-11.76,;23.53,-12.53,;23.53,-14.07,;24.87,-14.84,;26.2,-14.07,;26.2,-12.53,;24.89,-11.6,;23.48,-9.35,;25.02,-9.35,;23.48,-7.8,;19.63,-10.04,;19.63,-11.59,;18.35,-9.18,;18.35,-7.63,;19.68,-6.86,;21.02,-7.63,;19.68,-5.32,;17.14,-10.06,;15.78,-9.35,;15.78,-7.8,;14.5,-10.21,;14.5,-11.76,;15.84,-12.53,;15.84,-14.07,;17.17,-14.84,;17.17,-16.37,;18.5,-17.14,;19.84,-16.37,;18.5,-18.68,;19.84,-19.45,;19.83,-20.99,;21.16,-21.76,;22.48,-20.99,;22.48,-19.44,;21.16,-18.68,;21.15,-17.14,;13.29,-9.32,;11.93,-10.04,;11.94,-11.59,;10.65,-9.18,;10.65,-7.63,;11.99,-6.86,;13.48,-7.21,;14.27,-5.88,;13.26,-4.73,;13.45,-3.19,;12.22,-2.27,;10.8,-2.87,;10.62,-4.4,;11.85,-5.32,;9.44,-10.06,;9.6,-11.57,;10.98,-12.17,;8.39,-12.45,;6.93,-13.32,;6.85,-15.01,;5.29,-15.31,;3.86,-14.71,;2.47,-16.04,;4.16,-15.66,;5.67,-16.35,;4.22,-13.91,;5.42,-12.62,;3.92,-13.08,)|
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O
COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)(C)C
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)C
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(C)(=O)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(c1ccccc1)c1ccccc1
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F
CN(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:60:61:65:59.58.64,THB:62:63:58:61.66.60,62:61:58:63.65.64,60:59:65:61.66.62|
CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1C(O)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)OC(C)(C)C
CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)OC(C)(C)C
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN(CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)Nc1ccccc1C
CN([C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |wD:10.11,c:9,(7.22,-6.97,;7.67,-8.45,;6.69,-9.39,;5.36,-8.63,;4.02,-9.39,;4.02,-10.93,;5.36,-11.69,;6.71,-10.96,;7.63,-11.85,;9.14,-11.6,;9.86,-10.19,;11.4,-10.21,;12.13,-11.53,;11.35,-12.86,;13.67,-11.57,;14.48,-10.26,;13.72,-8.91,;14.5,-7.6,;16.04,-7.62,;16.81,-8.95,;18.33,-8.98,;16.01,-10.29,;9.18,-8.72,;10.1,-7.49,;7.17,-13.34,;5.55,-13.5,;4.73,-14.54,;5.14,-16.05,;6.65,-16.64,;8.09,-15.8,;7.22,-14.74,;6.1,-14.2,;8.22,-14.23,)|
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |wU:10.11,c:9,(7.22,-6.97,;7.67,-8.45,;6.69,-9.39,;5.36,-8.63,;4.02,-9.39,;4.02,-10.93,;5.36,-11.69,;6.71,-10.96,;7.63,-11.85,;9.14,-11.6,;9.86,-10.19,;11.4,-10.21,;12.13,-11.53,;11.35,-12.86,;13.67,-11.57,;14.48,-10.26,;13.72,-8.91,;14.5,-7.6,;16.04,-7.62,;16.81,-8.95,;18.33,-8.98,;16.01,-10.29,;9.18,-8.72,;10.1,-7.49,;7.17,-13.34,;5.55,-13.5,;4.73,-14.54,;5.14,-16.05,;6.65,-16.64,;8.09,-15.8,;7.22,-14.74,;6.1,-14.2,;8.22,-14.23,)|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCC1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |c:9,(7.22,-6.97,;7.67,-8.45,;6.69,-9.39,;5.36,-8.63,;4.02,-9.39,;4.02,-10.93,;5.36,-11.69,;6.71,-10.96,;7.63,-11.85,;9.14,-11.6,;9.86,-10.19,;11.4,-10.21,;12.13,-11.53,;11.35,-12.86,;13.67,-11.57,;14.48,-10.26,;13.72,-8.91,;14.5,-7.6,;16.04,-7.62,;16.81,-8.95,;18.33,-8.98,;16.01,-10.29,;9.18,-8.72,;10.1,-7.49,;7.17,-13.34,;5.55,-13.5,;4.73,-14.54,;5.14,-16.05,;6.65,-16.64,;8.09,-15.8,;7.22,-14.74,;6.1,-14.2,;8.22,-14.23,)|
OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12
CN([C@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
CCCCC(N(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@@H](NC1=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,28:29:35:33.32,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:25:21.23.20,(1.87,-7.07,;1.89,-8.44,;1.96,-10,;3.35,-10.7,;2.1,-11.62,;2.58,-13.11,;4.13,-13.1,;5.16,-14.25,;6.68,-13.93,;7.15,-12.45,;6.11,-11.31,;4.6,-11.62,;.49,-7.92,;-.8,-8.79,;-.78,-10.26,;-2.21,-8.09,;-3.5,-8.95,;-4.9,-8.37,;-5.95,-9.61,;-5.95,-11.21,;-7.46,-11.64,;-6.26,-10.35,;-6.26,-8.86,;-4.92,-10.85,;-3.5,-10.49,;-4.54,-11.79,;3.18,-7.76,;3.17,-6.37,;4.44,-8.49,;5.78,-7.73,;6.6,-6.67,;8.03,-6.27,;9.07,-7.24,;8.16,-8.37,;7.17,-7.54,;7.99,-4.93,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCC[C@@H]1O |wU:34.40,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.89,-10.78,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-4.51,-11.72,;-5.92,-9.55,;-4.87,-8.32,;-6.22,-8.8,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |r,wU:1.13,wD:1.0,TLB:15:16:18:20.22.21,22:21:25:18.17.16,22:17:25:20.23.21,THB:23:21:18:25.24.16,23:24:18:20.22.21,15:16:25:20.23.21,(6.03,-6.13,;5.44,-7.56,;4.85,-8.98,;3.32,-9.18,;2.26,-8.06,;.87,-8.72,;1.07,-10.25,;.07,-11.42,;.58,-12.87,;2.1,-13.15,;3.1,-11.98,;2.59,-10.53,;4.02,-6.97,;3.82,-5.44,;5.04,-4.5,;2.32,-4.82,;2.43,-3.02,;1.06,-2.32,;.22,-3.79,;1.59,-3.1,;1.59,-1.7,;2.43,-.23,;1.06,-.92,;3.8,-.92,;3.8,-2.32,;2.96,-3.79,;6.86,-8.15,;8.09,-7.21,;7.06,-9.67,;8.48,-10.27,;8.68,-11.79,;10.11,-12.38,;10.31,-13.91,;11.73,-14.5,;12.95,-13.56,;12.75,-12.04,;11.33,-11.45,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-8.98,;-.02,-10.34,;.05,-11.88,;1.42,-12.58,;.17,-13.49,;.65,-14.96,;2.19,-14.95,;3.2,-16.09,;4.71,-15.77,;5.18,-14.3,;4.16,-13.18,;2.67,-13.49,;-1.41,-9.83,;-2.7,-10.68,;-2.67,-12.13,;-4.07,-9.99,;-5.36,-10.84,;-5.36,-12.37,;-6.76,-12.72,;-8.08,-12.23,;-9.28,-13.5,;-7.78,-13.08,;-6.38,-13.65,;-7.79,-11.5,;-6.75,-10.27,;-8.11,-10.75,;1.24,-9.66,;1.24,-8.29,;2.62,-10.35,;3.9,-9.5,;3.81,-7.96,;4.58,-6.63,;5.28,-10.19,;6.56,-9.34,;6.48,-7.96,;7.74,-6.96,;9.13,-7.63,;9.22,-9.17,;7.94,-10.03,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CC2CCC(CC2)C1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.12,-6.79,;1.13,-8.18,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.79,;4.38,-13.93,;5.88,-13.62,;6.37,-12.15,;5.34,-11.01,;3.85,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.98,;-2.93,-7.82,;-4.21,-8.67,;-5.61,-8.08,;-6.97,-8.57,;-6.95,-10.06,;-8.16,-11.33,;-6.65,-10.91,;-6.66,-9.32,;-5.24,-11.49,;-4.23,-10.21,;-5.63,-10.55,;2.42,-7.5,;2.39,-6.12,;3.66,-8.22,;4.95,-7.37,;6.28,-8.17,;7.73,-7.61,;8.2,-6.14,;7.33,-4.85,;5.79,-4.73,;5.79,-6.27,;6.55,-7.61,;4.74,-5.85,)|
COC(=O)C1(CCCCC1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:13.27,wD:13.14,TLB:35:30:38:34.36.33,35:34:29.30.31:38,THB:33:32:29:34.35.36,33:34:29:32.31.38,28:29:38:34.36.33,(7.67,-10.77,;7.65,-9.57,;6.15,-9.17,;5.05,-10.27,;5.75,-7.69,;5.75,-6.14,;7.09,-5.38,;8.44,-6.15,;8.42,-7.7,;7.09,-8.45,;4.41,-8.45,;3.16,-7.72,;3.15,-6.34,;1.88,-8.4,;1.86,-7.03,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-5.92,-9.56,;-5.92,-11.16,;-7.42,-11.58,;-6.23,-10.3,;-6.23,-8.81,;-4.89,-10.79,;-3.48,-10.44,;-4.52,-11.73,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCC[C@H]1O |wU:1.13,29.33,wD:34.40,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(8.08,-2.21,;8.11,-3.57,;8.18,-5.11,;9.56,-5.81,;8.32,-6.72,;8.78,-8.2,;10.33,-8.2,;11.36,-9.35,;12.86,-9.02,;13.32,-7.54,;12.29,-6.42,;10.8,-6.72,;6.72,-3.05,;5.44,-3.92,;5.46,-5.37,;4.03,-3.21,;2.75,-4.08,;2.75,-5.6,;1.34,-5.95,;.01,-5.46,;-1.19,-6.75,;.31,-6.33,;1.72,-6.89,;.31,-4.74,;1.37,-3.49,;.01,-3.99,;9.39,-2.89,;9.37,-1.51,;10.63,-3.61,;11.97,-2.86,;13.3,-3.61,;14.63,-2.86,;14.66,-1.32,;13.3,-.55,;11.97,-1.32,;10.87,-.22,)|
COC[C@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:11.25,wD:11.12,3.2,TLB:36:35:33:30.29.31,THB:36:30:27.35.34:33,31:32:27:30.29.36,31:30:27:32.34.33,26:27:33:30.29.31,(8.73,-11.26,;8.31,-9.76,;6.82,-9.39,;6.39,-7.89,;7.35,-6.69,;6.5,-5.4,;5.01,-5.81,;4.94,-7.37,;3.66,-8.22,;2.42,-7.49,;2.39,-6.11,;1.13,-8.17,;1.12,-6.79,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.78,;4.38,-13.93,;5.88,-13.62,;6.36,-12.15,;5.33,-11,;3.84,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.97,;-2.92,-7.82,;-4.21,-8.66,;-4.23,-10.21,;-5.63,-10.55,;-6.95,-10.06,;-8.16,-11.33,;-6.64,-10.91,;-5.24,-11.49,;-6.66,-9.32,;-5.61,-8.08,;-6.96,-8.57,)|
CC1CCCCC1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:10.24,wD:10.11,TLB:35:34:32:29.28.30,THB:35:29:26.34.33:32,30:31:26:29.28.35,30:29:26:31.33.32,25:26:32:29.28.30,(4.64,-5.03,;5.74,-6.13,;7.08,-5.37,;8.43,-6.14,;8.41,-7.69,;7.08,-8.44,;5.74,-7.68,;4.41,-8.44,;3.16,-7.71,;3.15,-6.33,;1.88,-8.39,;1.86,-7.02,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.89,-10.78,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-4.51,-11.72,;-5.92,-9.55,;-4.87,-8.32,;-6.22,-8.8,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCCC[C@H]1O |wU:1.13,29.33,wD:35.41,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(9.7,-1.95,;9.72,-3.31,;9.79,-4.86,;11.17,-5.56,;9.92,-6.47,;10.4,-7.95,;11.95,-7.95,;12.96,-9.1,;14.48,-8.77,;14.95,-7.29,;13.92,-6.17,;12.42,-6.47,;8.32,-2.8,;7.04,-3.66,;7.06,-5.11,;5.65,-2.96,;4.34,-3.83,;4.34,-5.35,;2.95,-5.7,;1.62,-5.21,;.42,-6.5,;1.92,-6.08,;3.33,-6.64,;1.92,-4.48,;2.96,-3.24,;1.62,-3.73,;10.99,-2.63,;10.99,-1.25,;12.25,-3.36,;13.59,-2.61,;14.86,-3.47,;16.34,-3.01,;16.9,-1.58,;16.14,-.24,;14.6,-.01,;13.47,-1.04,;12.04,-.48,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)CNC1CCCCC1 |wU:1.13,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.22.23,(2.27,-7.88,;2.28,-9.27,;2.37,-10.83,;3.75,-11.54,;2.49,-12.46,;2.97,-13.95,;4.53,-13.94,;5.57,-15.11,;7.09,-14.78,;7.58,-13.29,;6.53,-12.15,;5.03,-12.46,;.88,-8.74,;-.42,-9.61,;-.39,-11.09,;-1.82,-8.91,;-3.13,-9.78,;-4.54,-9.19,;-5.91,-9.68,;-5.9,-11.18,;-7.12,-12.48,;-5.59,-12.05,;-5.6,-10.44,;-4.17,-12.63,;-3.14,-11.32,;-4.56,-11.68,;3.58,-8.58,;3.56,-7.18,;4.84,-9.33,;6.12,-8.6,;6.14,-7.13,;4.86,-6.4,;4.89,-4.93,;6.18,-4.21,;7.43,-4.97,;7.42,-6.42,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccccc1)Cc1ccccc1 |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-9,;-.02,-10.36,;.05,-11.9,;1.43,-12.61,;.17,-13.52,;.65,-14.99,;2.2,-14.98,;3.21,-16.13,;4.72,-15.81,;5.2,-14.34,;4.17,-13.21,;2.67,-13.52,;-1.42,-9.85,;-2.7,-10.7,;-2.68,-12.16,;-4.08,-10.01,;-5.37,-10.87,;-5.38,-12.4,;-6.78,-12.75,;-8.1,-12.26,;-9.3,-13.53,;-7.8,-13.11,;-6.4,-13.68,;-7.81,-11.52,;-6.77,-10.29,;-8.13,-10.77,;1.25,-9.68,;1.24,-8.3,;2.63,-10.38,;3.91,-9.52,;5.29,-10.21,;6.79,-9.8,;7.16,-8.33,;8.63,-7.91,;9.73,-9,;9.35,-10.48,;7.86,-10.89,;3.82,-7.98,;5.1,-7.13,;6.48,-7.81,;7.77,-6.97,;7.67,-5.43,;6.27,-4.74,;5,-5.59,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C(O)=O |wU:1.13,wD:1.0,TLB:15:16:23:19.25.20,18:19:23:16.17.22,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.23.22,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.51,-11.72,;-5.92,-11.15,;-7.41,-11.57,;-6.22,-10.29,;-4.89,-10.78,;-6.22,-8.8,;-4.87,-8.32,;-5.92,-9.55,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;5.04,-3.54,;3.15,-5.42,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.15,;2.34,-10.7,;3.7,-11.4,;2.46,-12.31,;2.93,-13.79,;4.48,-13.78,;5.51,-14.93,;7,-14.61,;7.49,-13.13,;6.46,-12,;4.97,-12.31,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.8,;-3.09,-9.66,;-4.48,-9.08,;-5.84,-9.57,;-5.83,-11.05,;-7.03,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.19,;-4.51,-11.54,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;6.14,-6.81,;7.63,-6.39,;8.48,-7.68,;7.52,-8.89,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.16,;2.34,-10.7,;3.71,-11.41,;2.47,-12.32,;2.93,-13.79,;4.48,-13.79,;5.51,-14.93,;7.01,-14.61,;7.49,-13.14,;6.46,-12.01,;4.97,-12.32,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.81,;-3.09,-9.67,;-4.49,-9.09,;-5.84,-9.57,;-5.83,-11.05,;-7.04,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.2,;-4.51,-11.55,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;7.4,-9.16,;8.85,-8.6,;9.32,-7.14,;8.46,-5.85,;6.91,-5.72,;5.86,-6.84,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(CC(O)=O)CC(O)=O |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:15:16:25:21.23.20,20:19:16:21.22.23,20:21:16:19.18.25,(-.04,-8.99,;-.02,-10.36,;.05,-11.9,;1.43,-12.6,;.17,-13.51,;.65,-14.98,;2.2,-14.98,;3.21,-16.12,;4.72,-15.8,;5.19,-14.33,;4.17,-13.2,;2.67,-13.51,;-1.42,-9.84,;-2.7,-10.7,;-2.68,-12.16,;-4.08,-10.01,;-5.37,-10.86,;-6.77,-10.29,;-7.8,-11.52,;-7.8,-13.11,;-9.3,-13.53,;-8.1,-12.25,;-8.12,-10.77,;-6.78,-12.74,;-5.37,-12.39,;-6.39,-13.67,;1.25,-9.68,;1.24,-8.3,;2.62,-10.37,;3.91,-9.52,;5.29,-10.21,;6.78,-9.8,;7.87,-10.89,;7.17,-8.3,;3.82,-7.97,;5.1,-7.13,;5.01,-5.59,;6.48,-7.81,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCCC[C@@H]1O |wU:1.13,35.41,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.61,-3.24,;10.63,-4.59,;10.7,-6.14,;12.08,-6.84,;10.84,-7.75,;11.31,-9.23,;12.86,-9.23,;13.89,-10.38,;15.38,-10.05,;15.85,-8.57,;14.82,-7.45,;13.32,-7.75,;9.25,-4.08,;7.97,-4.95,;7.99,-6.4,;6.56,-4.24,;5.27,-5.11,;5.27,-6.63,;3.87,-6.98,;2.54,-6.49,;1.34,-7.78,;2.84,-7.36,;4.24,-7.92,;2.84,-5.77,;3.89,-4.52,;2.54,-5.02,;11.92,-3.92,;11.9,-2.54,;13.16,-4.64,;14.49,-3.89,;15.78,-4.76,;17.26,-4.29,;17.82,-2.86,;17.05,-1.53,;15.52,-1.3,;14.38,-2.32,;12.95,-1.76,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C#N |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-4.87,-8.32,;-6.22,-8.8,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-5.92,-9.55,;-4.51,-11.72,;-3.48,-10.43,;-4.89,-10.78,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;3.54,-3.93,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1O |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.96,-3.48,;10.98,-4.85,;11.05,-6.4,;12.43,-7.1,;11.18,-8.02,;11.66,-9.49,;13.21,-9.48,;14.23,-10.63,;15.74,-10.31,;16.21,-8.84,;15.17,-7.7,;13.67,-8.02,;9.59,-4.34,;8.3,-5.19,;8.32,-6.66,;6.9,-4.5,;5.61,-5.35,;5.61,-6.89,;4.2,-7.24,;2.87,-6.75,;1.67,-8.02,;3.17,-7.6,;4.58,-8.18,;3.17,-6.01,;4.22,-4.78,;2.87,-5.26,;12.26,-4.17,;12.24,-2.79,;13.51,-4.9,;14.85,-4.13,;16.18,-4.9,;17.52,-4.15,;17.53,-2.6,;16.18,-1.83,;14.85,-2.59,;13.74,-1.48,)|
COC[C@@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:11.25,3.2,wD:11.12,TLB:36:35:33:30.29.31,THB:36:30:27.35.34:33,31:32:27:30.29.36,31:30:27:32.34.33,26:27:33:30.29.31,(8.73,-11.26,;8.31,-9.76,;6.82,-9.39,;6.39,-7.89,;7.35,-6.69,;6.5,-5.4,;5.01,-5.81,;4.94,-7.37,;3.66,-8.22,;2.42,-7.49,;2.39,-6.11,;1.13,-8.17,;1.12,-6.79,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.78,;4.38,-13.93,;5.88,-13.62,;6.36,-12.15,;5.33,-11,;3.84,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.97,;-2.92,-7.82,;-4.21,-8.66,;-4.23,-10.21,;-5.63,-10.55,;-6.95,-10.06,;-8.16,-11.33,;-6.64,-10.91,;-5.24,-11.49,;-6.66,-9.32,;-5.61,-8.08,;-6.96,-8.57,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.86,-7.03,;1.88,-8.4,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-6.23,-8.81,;-6.23,-10.3,;-7.42,-11.58,;-5.92,-11.16,;-5.92,-9.56,;-4.52,-11.73,;-3.48,-10.44,;-4.89,-10.79,;3.16,-7.72,;3.15,-6.34,;4.41,-8.45,;5.75,-7.69,;6.15,-9.17,;7.65,-9.57,;5.75,-6.14,;7.09,-5.38,;8.44,-6.15,;8.42,-7.7,;7.09,-8.45,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.16,;2.34,-10.7,;3.71,-11.41,;2.47,-12.32,;2.93,-13.79,;4.48,-13.78,;5.51,-14.93,;7.01,-14.61,;7.49,-13.14,;6.46,-12.01,;4.97,-12.32,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.81,;-3.09,-9.67,;-4.49,-9.09,;-5.84,-9.57,;-5.83,-11.05,;-7.04,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.19,;-4.51,-11.55,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;5.97,-6.82,;7.26,-5.98,;8.64,-6.67,;8.74,-8.2,;7.45,-9.06,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CCCCC1)C(O)=O |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:25:21.23.20,(1.86,-7.03,;1.88,-8.4,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-5.92,-9.56,;-5.92,-11.16,;-7.42,-11.58,;-6.23,-10.3,;-6.23,-8.81,;-4.89,-10.79,;-3.48,-10.44,;-4.52,-11.73,;3.16,-7.72,;3.15,-6.34,;4.41,-8.45,;5.75,-7.69,;7.09,-8.45,;8.42,-7.7,;8.44,-6.15,;7.09,-5.38,;5.75,-6.14,;6.15,-9.17,;7.65,-9.57,;5.05,-10.27,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.12,-6.8,;1.13,-8.18,;1.22,-9.73,;2.58,-10.43,;1.34,-11.35,;1.81,-12.81,;3.36,-12.8,;4.39,-13.95,;5.89,-13.63,;6.37,-12.17,;5.34,-11.02,;3.85,-11.35,;-.25,-7.67,;-1.54,-8.51,;-1.51,-9.99,;-2.93,-7.83,;-4.22,-8.68,;-5.61,-8.09,;-6.97,-8.58,;-6.96,-10.07,;-8.17,-11.35,;-6.65,-10.92,;-6.67,-9.33,;-5.25,-11.5,;-4.23,-10.22,;-5.64,-10.57,;2.42,-7.5,;2.4,-6.12,;3.66,-8.23,;5.01,-7.46,;6.29,-8.32,;7.76,-7.86,;8.32,-6.43,;7.54,-5.09,;6.02,-4.87,;4.9,-5.93,)|
COC(=O)CC(CC(=O)OC)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:14.27,wD:14.14,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:29:30:39:35.37.34,34:33:30:35.36.37,34:35:30:33.32.39,(6.29,-4.73,;5.01,-5.59,;5.1,-7.13,;6.48,-7.81,;3.82,-7.97,;3.91,-9.52,;5.29,-10.21,;6.78,-9.8,;7.17,-8.3,;7.87,-10.89,;7.48,-12.37,;2.62,-10.37,;1.25,-9.68,;1.24,-8.3,;-.02,-10.36,;-.04,-8.99,;.05,-11.9,;1.43,-12.6,;.17,-13.51,;.65,-14.98,;2.2,-14.98,;3.21,-16.12,;4.72,-15.8,;5.19,-14.33,;4.17,-13.2,;2.67,-13.51,;-1.42,-9.84,;-2.7,-10.7,;-2.68,-12.16,;-4.08,-10.01,;-5.37,-10.86,;-6.77,-10.29,;-7.8,-11.52,;-7.8,-13.11,;-9.3,-13.53,;-8.1,-12.25,;-8.12,-10.77,;-6.78,-12.74,;-5.37,-12.39,;-6.39,-13.67,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1 |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(2.24,-7.79,;2.25,-9.15,;2.34,-10.69,;3.7,-11.4,;2.46,-12.31,;2.93,-13.78,;4.47,-13.77,;5.5,-14.92,;7,-14.6,;7.48,-13.13,;6.45,-12,;4.97,-12.31,;.87,-8.64,;-.41,-9.49,;-.39,-10.95,;-1.8,-8.8,;-3.09,-9.66,;-3.1,-11.19,;-4.51,-11.54,;-5.82,-11.05,;-7.03,-12.32,;-5.52,-11.9,;-4.12,-12.47,;-5.53,-10.31,;-4.48,-9.08,;-5.84,-9.56,;3.54,-8.47,;3.52,-7.09,;4.92,-9.17,;6.2,-8.31,;6.1,-6.77,;7.37,-5.92,;8.77,-6.6,;8.87,-8.15,;7.58,-9,)|
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.86,-7.02,;1.88,-8.39,;1.95,-9.93,;3.33,-10.63,;2.08,-11.55,;2.56,-13.02,;4.1,-13.01,;5.13,-14.16,;6.63,-13.84,;7.1,-12.36,;6.07,-11.23,;4.57,-11.55,;.49,-7.87,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.89,;-4.87,-8.32,;-6.22,-8.8,;-6.22,-10.28,;-7.41,-11.56,;-5.91,-11.14,;-5.91,-9.55,;-4.51,-11.71,;-3.48,-10.42,;-4.88,-10.77,;3.16,-7.71,;3.14,-6.33,;4.41,-8.43,;5.74,-7.68,;6.14,-9.16,;7.64,-9.56,;5.91,-6.14,;7.42,-5.81,;8.19,-7.15,;7.16,-8.29,)|
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)N[C@H](CN[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O)Cc1c[nH]c2ccccc12
CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
O=C(N[C@@H](Cc1c[nH]c2ccccc12)[C@H](N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O)C#N)OCc1ccccc1
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
O=C(N[C@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O)c1cc2ccccc2[nH]1
CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
O=C(N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:43:38:45:44.42.41,43:42:45:37.38.39,39:40:44:37.38.43,THB:39:38:44:45.40.41|
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
O=C(N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O)C#N)OCc1ccccc1
CCCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCC)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCC)C(=O)N(C)C(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,29.33,TLB:15:16:23:19.25.20,18:19:17.16.22:23,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(8.71,-2.48,;8.72,-4.02,;8.72,-5.57,;7.62,-6.66,;8.65,-7.83,;7.85,-9.15,;6.36,-8.79,;5.1,-9.68,;3.71,-9.02,;3.58,-7.48,;4.84,-6.61,;6.22,-7.26,;7.39,-3.25,;6.06,-4.02,;6.06,-5.57,;4.72,-3.25,;3.39,-4.02,;1.99,-3.44,;.64,-3.93,;.64,-5.42,;-.55,-6.69,;.94,-6.27,;.94,-4.68,;2.36,-6.83,;3.37,-5.56,;1.97,-5.91,;10.05,-3.25,;10.05,-1.71,;11.4,-4.02,;12.73,-3.25,;14.06,-4.02,;14.06,-5.57,;15.4,-6.34,;12.73,-6.34,;12.73,-1.71,;14.06,-.94,;15.4,-1.71,;16.73,-.94,;16.73,.6,;15.39,1.37,;14.06,.58,)|
OC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCN2C1CC(=O)N(C2=O)c1cccc(O)c1
COc1ccc(cc1)N1C(=O)CC2C(CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCN2C1CC(=O)N(C2=O)c1cccc(c1)C(O)=O
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCN2C1CC(=O)N(C(Cc1ccccc1)C(O)=O)C2=O
COC(=O)C(Cc1ccccc1)N1C(=O)CC2C(CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=S)N(Cc1ccccc1)C2=S
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2CN(Cc3ccccc3)CC[C@@H]12
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=S)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=S)N(Cc1ccccc1)C2=S
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CCN(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2CN(Cc3ccccc3)C(=O)C[C@H]12
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=S)N(Cc1ccccc1)C2=O
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2CN(Cc3ccccc3)C(=O)C[C@@H]12
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=S
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=S
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
COC1C[C@H]2[C@@H](CCCN2C(=O)N1Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
CC(C)C[C@]1(C)N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
O=C(OC1C2CC3CC(C2)CC1C3)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O |wD:25.29,13.28,TLB:9:4:12:8.10.7,9:8:3.4.5:12,THB:2:3:6.5.12:8.9.10,2:3:12:8.10.7,7:6:3:8.9.10,7:8:3:6.5.12,(1.06,-3.69,;-.32,-2.89,;-1.69,-3.68,;-1.69,-5.28,;-1.71,-6.8,;-3.11,-7.15,;-4.41,-6.66,;-5.62,-7.92,;-4.11,-7.52,;-2.72,-8.08,;-4.14,-5.94,;-3.09,-4.7,;-4.44,-5.19,;-.32,-1.3,;-1.69,-.49,;-2.99,-1.16,;-3.47,-2.54,;-4.93,-2.5,;-5.33,-1.1,;-6.65,-.49,;-6.77,.95,;-5.56,1.77,;-4.25,1.14,;-4.14,-.29,;1.06,-.51,;1.06,1.09,;-.34,1.89,;-.34,3.48,;1.06,4.28,;2.43,3.48,;2.43,1.89,;3.8,1.09,;5.18,1.89,;6.57,1.07,;5.18,3.48,;6.57,4.28,;6.57,5.82,;7.92,6.6,;7.92,8.11,;6.59,8.88,;5.24,8.11,;5.24,6.6,;3.8,4.28,;3.8,5.87,)|
C[C@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
C[C@@H]1C2[C@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)|
CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
C[C@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CN(C)c1ccc(cc1)N1C(=O)CC2[C@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
C[C@H]1C2[C@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CC1C2C(CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)|
CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O
C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.22,21.23,1.0,TLB:37:38:35.36.41:42,34:35:38.37.44:40.41.42,34:35:42:38.44.39,THB:37:36:42:38.44.39,39:38:35:40.41.42,39:40:35:38.37.44,(3.63,-.44,;3.63,1.06,;2.28,1.84,;.94,1.06,;-.4,1.84,;-.4,3.41,;.94,4.18,;2.28,3.41,;3.63,4.18,;3.63,5.73,;4.99,3.41,;6.36,4.18,;6.33,5.75,;4.99,6.52,;4.99,8.06,;6.33,8.84,;7.68,8.08,;7.7,6.52,;4.99,1.84,;6.36,1.05,;.94,-.51,;-.4,-1.27,;-1.74,-.49,;-3,-1.15,;-3.47,-2.48,;-4.89,-2.44,;-5.29,-1.08,;-6.57,-.49,;-6.68,.93,;-5.52,1.72,;-4.25,1.12,;-4.13,-.28,;-.4,-2.83,;.94,-3.6,;-1.74,-3.6,;-1.74,-5.17,;-1.74,-6.65,;-2.75,-7.9,;-4.11,-7.35,;-5.57,-7.74,;-4.41,-6.52,;-3.11,-6.99,;-4.41,-5.07,;-3.11,-4.6,;-4.13,-5.81,)|
C[C@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
CCCC[C@H](N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:58.71,74.80,8.20,87.93,69.75,wD:48.59,22.31,4.4,33.48,95.101,(27.14,-11.6,;25.81,-10.83,;25.81,-9.29,;24.47,-8.52,;24.47,-6.97,;23.14,-6.2,;21.8,-6.97,;21.8,-8.5,;20.47,-6.2,;20.47,-4.66,;21.89,-4.07,;23.12,-5,;24.38,-4.1,;23.93,-2.63,;24.71,-1.31,;23.96,.04,;22.43,.05,;21.64,-1.26,;22.38,-2.61,;19.13,-6.97,;17.8,-6.2,;17.8,-4.66,;16.46,-6.97,;16.46,-8.51,;17.8,-9.28,;17.8,-10.82,;19.14,-11.58,;19.13,-13.12,;17.8,-13.89,;20.46,-13.9,;15.12,-6.21,;13.78,-6.97,;13.78,-8.51,;12.45,-6.2,;12.42,-4.66,;13.74,-3.87,;15.09,-4.61,;16.4,-3.81,;16.37,-2.28,;17.69,-1.49,;17.67,.05,;16.32,.8,;15,.01,;15.03,-1.52,;13.71,-2.32,;11.12,-6.97,;9.78,-6.21,;9.78,-4.66,;8.44,-6.98,;8.44,-8.51,;9.78,-9.29,;11.18,-8.65,;12.21,-9.8,;11.45,-11.14,;9.94,-10.82,;7.1,-6.21,;5.76,-6.97,;5.76,-8.5,;4.43,-6.2,;4.43,-4.66,;5.76,-3.89,;7.1,-4.65,;8.42,-3.88,;8.42,-2.34,;7.09,-1.57,;5.75,-2.34,;3.1,-6.99,;1.76,-6.22,;1.76,-4.68,;.42,-6.99,;.42,-8.53,;-.9,-6.21,;-2.25,-6.97,;-2.25,-8.51,;-3.58,-6.2,;-4.91,-6.98,;-3.58,-4.66,;-2.25,-3.89,;-.92,-4.66,;.41,-3.89,;.4,-2.35,;1.77,-1.59,;-.92,-1.58,;-2.25,-2.35,;25.81,-6.21,;25.81,-4.67,;27.15,-6.98,;28.48,-6.21,;28.48,-4.66,;29.82,-3.89,;31.15,-4.66,;29.82,-2.35,;29.82,-6.97,;29.82,-8.51,;31.15,-6.2,;32.49,-6.97,;32.49,-8.5,;33.83,-9.28,;35.16,-8.5,;36.5,-9.28,;36.5,-10.82,;35.16,-11.58,;33.83,-10.81,;33.83,-6.2,;35.15,-6.96,;33.83,-4.65,)|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:8.20,58.71,93.99,78.84,wD:73.79,48.59,22.31,33.48,4.4,101.107,(24.59,-5.48,;25.93,-4.72,;25.93,-3.18,;24.59,-2.4,;24.59,-.86,;23.26,-.1,;21.93,-.87,;21.93,-2.41,;20.59,-.11,;20.59,1.44,;22,2.07,;23.25,1.19,;24.48,2.12,;23.98,3.58,;24.73,4.92,;23.94,6.24,;22.4,6.22,;21.65,4.87,;22.44,3.55,;19.25,-.87,;17.91,-.12,;17.91,1.43,;16.57,-.89,;16.57,-2.43,;17.91,-3.2,;17.91,-4.73,;19.24,-5.51,;19.24,-7.05,;17.93,-7.8,;20.61,-7.81,;15.25,-.1,;13.92,-.87,;13.92,-2.41,;12.59,-.1,;12.6,1.44,;13.92,2.21,;15.26,1.44,;16.59,2.21,;16.6,3.75,;17.93,4.53,;17.92,6.07,;16.58,6.84,;15.25,6.06,;15.26,4.52,;13.92,3.75,;11.26,-.86,;9.92,-.1,;9.92,1.45,;8.58,-.87,;8.58,-2.41,;9.92,-3.18,;11.32,-2.55,;12.36,-3.69,;11.59,-5.03,;10.08,-4.71,;7.25,-.09,;5.91,-.85,;5.91,-2.39,;4.58,-.08,;4.58,1.46,;5.91,2.23,;7.25,1.47,;8.58,2.24,;8.58,3.78,;7.24,4.55,;5.91,3.78,;3.25,-.85,;1.92,-.07,;1.92,1.47,;.58,-.85,;-.75,-.07,;-2.08,-.85,;-2.08,-2.38,;-3.41,-.07,;-3.41,1.47,;-4.75,-.84,;-6.09,-.08,;-6.09,1.47,;-7.42,-.86,;-7.4,-2.4,;-8.75,-.1,;-10.08,-.88,;-10.06,-2.42,;-8.72,-3.17,;-11.4,-3.2,;-12.73,-2.44,;-14.07,-3.22,;-12.76,-.9,;-11.41,-.13,;-11.43,1.41,;25.93,-.09,;25.93,1.45,;27.26,-.87,;28.59,-.09,;28.59,1.45,;29.93,2.21,;31.25,1.45,;29.93,3.76,;29.93,-.87,;29.93,-2.4,;31.26,-.1,;32.6,-.87,;32.6,-2.4,;33.93,-3.17,;35.28,-2.4,;36.61,-3.17,;36.61,-4.71,;35.27,-5.48,;33.94,-4.71,;33.93,-.1,;35.27,-.86,;33.93,1.45,)|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:69.75,8.20,58.71,89.95,wD:48.59,22.31,33.48,4.4,97.103,74.80,(28.82,-7.95,;30.15,-7.19,;30.15,-5.65,;28.82,-4.88,;28.82,-3.34,;27.48,-2.57,;26.15,-3.35,;26.15,-4.89,;24.82,-2.58,;24.82,-1.03,;26.22,-.4,;27.48,-1.28,;28.71,-.35,;28.21,1.11,;28.95,2.45,;28.16,3.77,;26.62,3.74,;25.87,2.4,;26.66,1.08,;23.48,-3.34,;22.13,-2.59,;22.13,-1.04,;20.8,-3.36,;20.8,-4.9,;22.13,-5.67,;22.13,-7.21,;23.47,-7.98,;23.47,-9.52,;22.16,-10.27,;24.84,-10.28,;19.47,-2.57,;18.15,-3.35,;18.15,-4.88,;16.82,-2.57,;16.82,-1.03,;18.15,-.26,;19.48,-1.03,;20.81,-.26,;20.82,1.28,;22.15,2.06,;22.15,3.6,;20.8,4.36,;19.47,3.58,;19.48,2.05,;18.14,1.28,;15.48,-3.33,;14.14,-2.57,;14.14,-1.02,;12.8,-3.34,;12.8,-4.88,;14.14,-5.65,;15.55,-5.02,;16.59,-6.17,;15.81,-7.5,;14.31,-7.18,;11.47,-2.57,;10.13,-3.32,;10.13,-4.86,;8.81,-2.55,;8.81,-1.01,;10.13,-.25,;11.47,-1.01,;12.81,-.24,;12.8,1.31,;11.47,2.07,;10.14,1.3,;7.47,-3.33,;6.13,-2.55,;6.13,-1.01,;4.8,-3.33,;4.8,-4.87,;3.47,-2.56,;2.12,-3.32,;2.13,-4.86,;.8,-2.54,;.81,-1,;-.54,-3.3,;-1.86,-2.52,;-1.85,-.98,;-.51,-.23,;-3.18,-.2,;-4.52,-.96,;-5.84,-.18,;-4.53,-2.49,;-3.2,-3.27,;-3.21,-4.81,;30.15,-2.57,;30.15,-1.03,;31.49,-3.34,;32.82,-2.57,;32.82,-1.02,;34.15,-.26,;35.48,-1.03,;34.15,1.29,;34.15,-3.34,;34.15,-4.88,;35.49,-2.57,;36.82,-3.34,;36.82,-4.88,;38.16,-5.65,;39.5,-4.87,;40.83,-5.65,;40.84,-7.18,;39.5,-7.95,;38.16,-7.19,;38.16,-2.57,;39.49,-3.33,;38.16,-1.02,)|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:33.48,22.31,4.4,48.59,93.100,wD:70.77,58.62,8.20,85.92,(16.65,-3.98,;15.32,-4.75,;15.32,-6.29,;13.98,-7.06,;13.98,-8.6,;12.65,-9.36,;11.32,-8.59,;11.32,-7.05,;9.99,-9.35,;9.99,-10.9,;11.32,-11.67,;12.72,-11.05,;13.76,-12.19,;12.98,-13.52,;13.46,-14.99,;12.42,-16.14,;10.92,-15.81,;10.44,-14.35,;11.48,-13.21,;8.66,-8.59,;7.33,-9.38,;7.33,-10.92,;6,-8.61,;6,-7.07,;7.33,-6.3,;7.33,-4.76,;8.66,-3.97,;8.68,-2.43,;7.33,-1.66,;10,-1.66,;4.65,-9.35,;3.32,-8.59,;3.32,-7.05,;1.99,-9.36,;1.76,-10.89,;2.96,-11.84,;2.73,-13.37,;3.92,-14.33,;5.36,-13.77,;6.57,-14.74,;8.01,-14.17,;8.23,-12.64,;7.03,-11.68,;5.59,-12.24,;4.39,-11.29,;.66,-8.58,;-.66,-9.38,;-.66,-10.92,;-2,-8.61,;-2,-7.07,;-.66,-6.29,;.75,-6.93,;1.79,-5.78,;1.01,-4.45,;-.5,-4.76,;-3.33,-9.38,;-4.67,-8.61,;-4.67,-7.07,;-6,-9.38,;-7.33,-8.62,;-8.66,-9.39,;-9.99,-8.62,;-11.33,-9.39,;-11.33,-10.93,;-9.99,-11.69,;-8.66,-10.92,;-7.33,-11.7,;-6,-10.91,;-4.66,-11.68,;-3.33,-10.91,;-4.66,-13.22,;-5.99,-13.99,;-3.32,-13.99,;-3.32,-15.53,;-4.65,-16.3,;-5.98,-15.53,;-4.65,-17.84,;-3.31,-18.61,;-3.31,-20.15,;-1.98,-17.84,;-1.98,-16.29,;-.65,-15.52,;15.32,-9.37,;15.32,-10.91,;16.65,-8.59,;17.98,-9.36,;17.98,-10.91,;19.32,-11.67,;20.64,-10.9,;19.32,-13.21,;19.32,-8.59,;19.32,-7.05,;20.65,-9.36,;21.98,-8.59,;21.98,-7.05,;23.31,-6.28,;24.65,-7.06,;25.98,-6.29,;25.99,-4.75,;24.65,-3.98,;23.32,-4.75,;23.31,-9.36,;24.65,-8.59,;23.31,-10.91,)|
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC[C@@H](N)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:10.11,65.79,85.90,29.31,wD:19.20,70.75,40.43,77.82,51.54,(-6.99,1.44,;-8.33,2.2,;-9.67,1.43,;-11.01,2.2,;-12.34,1.43,;-11,3.74,;-9.66,4.51,;-9.66,6.05,;-8.33,3.74,;-7,4.51,;-5.67,3.75,;-5.66,2.21,;-4.33,4.52,;-4.34,6.06,;-3,3.75,;-2.4,2.34,;-3.33,1.11,;-4.86,1.3,;-2.73,-.31,;-3.66,-1.53,;-5,-.77,;-6.33,-1.54,;-7.73,-.92,;-8.76,-2.06,;-7.99,-3.4,;-6.48,-3.07,;-3.66,-3.08,;-5,-3.85,;-2.33,-3.85,;-2.33,-5.39,;-3.66,-6.16,;-3.66,-7.7,;-5,-8.46,;-5,-10,;-3.67,-10.77,;-2.33,-10,;-2.34,-8.46,;-1,-6.16,;-1,-7.7,;.34,-5.39,;1.67,-6.16,;1.67,-7.7,;.34,-8.47,;.34,-10.01,;-1,-10.78,;-1,-12.32,;-2.33,-13.09,;.34,-13.09,;3,-5.39,;4.34,-6.16,;3,-3.85,;4.34,-3.08,;5.67,-3.85,;7.01,-3.08,;7.16,-1.56,;8.67,-1.24,;9.44,-2.57,;10.95,-2.88,;11.43,-4.34,;10.4,-5.5,;8.89,-5.18,;8.41,-3.71,;4.34,-1.54,;3,-.77,;5.67,-.77,;5.67,.77,;4.34,1.54,;4.34,3.08,;1.59,3.18,;.06,3.38,;-.54,4.79,;.39,6.02,;-2.07,4.99,;-2.66,6.41,;7.01,1.54,;8.34,.77,;7.01,3.08,;8.34,3.85,;9.67,3.08,;11.01,3.85,;11.01,5.39,;12.34,3.08,;8.34,5.39,;7.01,6.16,;9.67,6.16,;9.67,7.7,;8.34,8.47,;8.34,10.01,;9.68,10.78,;9.68,12.32,;8.34,13.09,;7.01,12.31,;7.01,10.77,;11.01,8.47,;11.01,10.01,;12.34,7.7,)|
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCC1c1ccccc1
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccccn1
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccncc1
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2n[nH]c3ccccc23)C1=O |r|
COCCC1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2n[nH]c3ccccc23)C1=O |r|
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2n[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccccc1 |r|
Cc1cccc(CC2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r|
Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r|
COCCC1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O
CCC1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCC(Cc2ccccc2)C1
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCC1Cc1ccccn1
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1c1ccccc1
CC(C)C1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1Cc1ccccc1
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1CC1CCCCC1
CN1c2ccccc2C(=NC(NC(=O)c2cccc(Br)c2)C1=O)c1ccccc1F |c:9|
FC(F)(F)Sc1cccc(c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:16|
CN1c2ccccc2C(=NC(NC(=O)c2ccccc2Br)C1=O)c1ccccc1F |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(I)cc2)C1=O)c1ccccc1F |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C#N)C1=O)c1ccccc1F |c:9|
Fc1ccccc1C1=NC(NC(=O)CNc2ccccc2)C(=O)Nc2ccccc12 |t:8|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1F |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccccc2I)C1=O)c1ccccc1F |c:9|
CN1c2ccccc2C(=NC(NC(=O)c2ccccc2I)C1=O)c1ccccc1 |c:9|
Fc1ccccc1C1=NC(NC(=O)\C=C/c2ccccc2)C(=O)Nc2ccccc12 |t:8|
CC1C(=Cc2ccccc12)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |c:2,t:16|
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(C)cc1)C(N)=O
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2c[nH]c3ccccc23)C1=O
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2nn(C)c3ccccc23)C1=O
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2n[nH]c3ccccc23)C1=O
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2c[nH]c3ccccc23)C1=O
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1
COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2nn(Cc3ccccc3)c3ccccc23)C1=O
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2c[nH]c3ccccc23)C1=O)c1ccccc1
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(CCC(O)=O)c2)C1=O)C1CCCCC1 |c:15|
CN(CC(O)=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:16|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nnn[nH]2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(Cc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:15|
CC1CCCC1C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:18|
OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1 |t:13|
CN(c1nnn[nH]1)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:18|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(OCC(O)=O)c2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)S(=O)(=O)CC(O)=O)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(=O)NS(C)(=O)=O)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(SCC(O)=O)c2)C1=O)C1CCCCC1 |c:15|
Cl.CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2cn(CC(O)=O)cn2)C1=O)C1CCCCC1 |c:15|
CC(C)C1=NN(CC(=O)Nc2cccc(c2)C(O)=O)C(=O)N(CC(=O)C(C)(C)C)c2ccccc12 |t:3|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCCC1 |c:15|
Cl.CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3ncn(CC(O)=O)c3c2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C12CC3CC(CC(C3)C1)C2 |c:15,TLB:14:32:35:39.38.37,THB:33:34:37:41.32.40,33:32:35.34.39:37,40:32:35:39.38.37,40:38:35:41.33.32,14:32:35.34.39:37|
CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:9|
CC(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:12|
CC(C)CCN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:13|
OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 |t:13|
OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 |t:13,TLB:34:35:33.32.38:39,THB:34:33:35.40.36:39,36:35:32:38.37.39,36:37:34.35.40:32|
Cc1ccccc1C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:19|
OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:13|
OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:14|
OC(=O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:15|
O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |t:4|
OC(=O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:15|
OC(=O)C(F)(F)F.CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc3n(CC(O)=O)ncc23)C1=O)C1CCCCC1 |c:21|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(SCc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(co2)C(O)=O)C1=O)C1CCCCC1 |c:15|
Cl.CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(NCC(O)=O)c2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2csc(n2)C(O)=O)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2ccc(o2)C(O)=O)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3n(CC(O)=O)ncc3c2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc3n(CC(O)=O)ccc23)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3cnn(CC(O)=O)c3c2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3ccn(CC(O)=O)c3c2)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1 |c:15|
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3n(CC(O)=O)ccc3c2)C1=O)C1CCCCC1 |c:15|
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(I)c2)C1=O)c1ccccc1 |r,c:9|
C[C@@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 |r|
Clc1ccc(cc1)C(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1
CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)c(Cl)c1
C[C@@H]([C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(O)=O)c1ccc(Cl)c(Cl)c1 |r|
C[C@@H]([C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(O)=O)c1ccc(Cl)c(Cl)c1 |r|
CC(C)([C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(O)=O)c1ccc(Cl)cc1 |r|
OC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r|
C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)[C@@H](O)c1cccc(Br)c1 |r|
Clc1ccc(C(=O)NCCc2ccccc2)c(NS(=O)(=O)c2cccc3nsnc23)c1
Clc1ccc(CCNC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccc3nsnc23)cc1
Clc1ccc(C(=O)NCCc2ccc(Cl)c(Cl)c2)c(NS(=O)(=O)c2cccc3nsnc23)c1
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Clc1ccc(C(=O)NCCCc2ccccc2)c(NS(=O)(=O)c2cccc3nsnc23)c1
CN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1
CC(C)(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1
Brc1ccc(C(=O)NCCc2ccccc2)c(NS(=O)(=O)c2cccc3nsnc23)c1
C[C@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 |r|
COC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
OC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r|
OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 |r|
Fc1ccc(NC(=O)NC2C(=O)N(CCN3CCOCC3)c3ccccc3N(CC34CC5CC(CC(C5)C3)C4)C2=O)cc1 |TLB:38:29:36:33.32.34,28:29:32:36.35.34,THB:38:33:36:29.37.30,37:35:32:38.29.30,37:29:32:36.35.34|
Fc1ccc2N(CC34CC5CC(CC(C5)C3)C4)C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(CCN3CCOCC3)c2c1 |TLB:16:7:14:11.10.12,6:7:10:14.13.12,THB:16:11:14:7.15.8,15:13:10:16.7.8,15:7:10:14.13.12|
O=C(NC1C(=O)N(CCN2CCOCC2)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O)Nc1ccccc1 |TLB:32:23:30:27.26.28,22:23:26:30.29.28,THB:32:27:30:23.31.24,31:29:26:32.23.24,31:23:26:30.29.28|
CCN(CC)CCN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)Nc2ccc(F)cc2)C1=O |TLB:25:16:23:20.19.21,15:16:19:23.22.21,THB:25:20:23:16.24.17,24:22:19:25.16.17,24:16:19:23.22.21|
CN(C)CCCN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)Nc2ccccc2)C1=O |TLB:24:15:22:19.18.20,14:15:18:22.21.20,THB:24:19:22:15.23.16,23:21:18:24.15.16,23:15:18:22.21.20|
CN(C)CCN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)Nc2ccccc2)C1=O |TLB:23:14:21:18.17.19,13:14:17:21.20.19,THB:23:18:21:14.22.15,22:20:17:23.14.15,22:14:17:21.20.19|
O=C(NC1C(=O)N(CCN2CCOCC2)c2ccccc2N(CC2CCCCC2)C1=O)Nc1ccccc1
COc1ccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(CCN(C)C)C2=O)cc1
CC(C)CCN1c2ccccc2N(CCN(C)C)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2ccccc2N(CCN2CCCCC2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
COc1ccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(CCN3CCOCC3)C2=O)cc1
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2c(C)cccc2Cl)C1=O
COc1ccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(CCN3CCOCC3)C2=O)c(C)c1
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccc(Br)cc2C)C1=O
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccc(F)cc2)C1=O
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2cccc(C)c2)C1=O
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccc(Cl)cc2)C1=O
CCOc1ccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(CCN3CCOCC3)C2=O)cc1
CCN(CC)CCN1c2ccccc2N(CC2CCCCC2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccc(Br)cc2)C1=O
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CCN(CC)CCN1c2ccccc2N(CCC(C)C)C(=O)C(NC(=O)Nc2ccccc2)C1=O
O=C(NC1C(=O)N(CCN2CCCC2)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O)Nc1ccccc1 |TLB:31:22:29:26.25.27,21:22:25:29.28.27,THB:31:26:29:22.30.23,30:28:25:31.22.23,30:22:25:29.28.27|
Cc1cccc(NC(=O)NC2C(=O)N(CCN3CCOCC3)c3ccccc3N(CC3CCCCC3)C2=O)c1
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccc(O)cc2)C1=O
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccccc2C(C)C)C1=O
CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O
Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(O)=O |wU:20.21,wD:20.22,15.51,TLB:45:44:42:39.38.40,THB:40:41:36:39.38.45,40:39:36:41.43.42,45:39:36.44.43:42,35:36:39.38.45:41.43.42,(18.57,-5.24,;18.57,-6.78,;19.91,-7.55,;19.91,-9.1,;18.57,-9.87,;17.23,-9.1,;17.24,-7.56,;15.9,-6.79,;14.57,-7.56,;14.57,-9.1,;13.22,-6.79,;13.22,-5.25,;11.89,-4.47,;11.89,-2.93,;10.55,-2.16,;10.55,-.62,;9.22,.16,;7.88,-.62,;6.55,.16,;6.55,1.7,;5.2,-.62,;6.3,-1.69,;4.43,-1.94,;5.18,-3.27,;3.87,-4.1,;4.26,-5.6,;5.78,-5.69,;6.73,-6.91,;8.25,-6.69,;8.82,-5.26,;7.88,-4.05,;6.37,-4.26,;3.87,.16,;2.53,-.62,;2.53,-2.16,;1.2,.16,;-.13,-.62,;-1.75,-1.33,;-2.77,-.36,;-4.2,-.15,;-4.81,-1.55,;-3.73,-2.63,;-2.31,-2.7,;-2.29,-1.88,;-1.68,-.41,;-2.77,.65,;11.89,.16,;13.22,-.62,;13.22,-2.16,;14.57,.16,;15.9,-.62,;17.24,.16,;18.57,-.62,;17.24,1.7,)|
Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(O)=O |wU:20.22,wD:15.51,20.21,TLB:45:44:42:39.38.40,THB:40:41:36:39.38.45,40:39:36:41.43.42,45:39:36.44.43:42,35:36:39.38.45:41.43.42,(18.57,-5.24,;18.57,-6.78,;19.91,-7.55,;19.91,-9.1,;18.57,-9.87,;17.23,-9.1,;17.24,-7.56,;15.9,-6.79,;14.57,-7.56,;14.57,-9.1,;13.22,-6.79,;13.22,-5.25,;11.89,-4.47,;11.89,-2.93,;10.55,-2.16,;10.55,-.62,;9.22,.16,;7.88,-.62,;6.55,.16,;6.55,1.7,;5.2,-.62,;6.3,-1.69,;4.43,-1.94,;5.18,-3.27,;6.48,-4.1,;6.1,-5.6,;4.57,-5.69,;3.62,-6.91,;2.1,-6.69,;1.53,-5.26,;2.48,-4.05,;3.98,-4.26,;3.87,.16,;2.53,-.62,;2.53,-2.16,;1.2,.16,;-.13,-.62,;-1.75,-1.33,;-2.77,-.36,;-4.2,-.15,;-4.81,-1.55,;-3.73,-2.63,;-2.31,-2.7,;-2.29,-1.88,;-1.68,-.41,;-2.77,.65,;11.89,.16,;13.22,-.62,;13.22,-2.16,;14.57,.16,;15.9,-.62,;17.24,.16,;18.57,-.62,;17.24,1.7,)|
Cc1ccccc1NC(=O)NCCCC[C@@H](CNC(=O)CCC(O)=O)NC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:15.25,28.29,wD:28.30,TLB:53:52:50:47.46.48,THB:48:49:44:47.46.53,48:47:44:49.51.50,53:47:44.52.51:50,43:44:47.46.53:49.51.50,(17.87,-.17,;17.87,1.37,;19.2,2.14,;19.2,3.69,;17.86,4.46,;16.54,3.69,;16.54,2.15,;15.21,1.38,;13.87,2.15,;13.87,3.69,;12.53,1.38,;12.53,-.16,;11.18,-.94,;11.18,-2.48,;9.85,-3.25,;9.85,-4.79,;11.18,-5.56,;12.53,-4.79,;13.87,-5.56,;13.87,-7.11,;15.21,-4.79,;16.54,-5.56,;17.87,-4.79,;19.2,-5.56,;17.87,-3.25,;8.52,-5.56,;7.19,-4.79,;7.19,-3.25,;5.85,-5.56,;6.93,-6.65,;5.06,-6.9,;5.46,-8.38,;4.5,-9.59,;5.33,-10.88,;6.81,-10.47,;8.1,-11.3,;9.47,-10.62,;9.55,-9.08,;8.26,-8.24,;6.91,-8.94,;4.51,-4.79,;3.16,-5.56,;3.16,-7.11,;1.83,-4.79,;.5,-5.56,;-1.1,-6.29,;-2.14,-5.32,;-3.57,-5.11,;-4.16,-6.51,;-3.1,-7.58,;-1.66,-7.65,;-1.65,-6.84,;-1.04,-5.38,;-2.13,-4.31,)|
Cc1ccccc1NC(=O)NCCCC[C@@H](CNC(=O)CCC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:28.30,15.25,wD:28.29,TLB:46:47:44.45.50:51,43:44:47.46.53:49.50.51,43:44:51:47.53.48,THB:48:47:44:49.50.51,48:49:44:47.46.53,46:45:51:47.53.48,(17.87,-.45,;17.87,1.09,;19.2,1.86,;19.2,3.41,;17.86,4.18,;16.54,3.41,;16.54,1.86,;15.21,1.09,;13.87,1.86,;13.87,3.41,;12.53,1.09,;12.53,-.45,;11.18,-1.22,;11.18,-2.77,;9.85,-3.54,;9.85,-5.08,;11.18,-5.85,;12.53,-5.08,;13.87,-5.85,;13.87,-7.4,;15.21,-5.08,;16.54,-5.85,;17.87,-5.08,;19.2,-5.85,;17.87,-3.54,;8.52,-5.85,;7.19,-5.08,;7.19,-3.54,;5.85,-5.85,;6.93,-6.94,;5.06,-7.19,;5.81,-8.52,;7.12,-9.34,;6.74,-10.83,;5.2,-10.94,;4.26,-12.14,;2.74,-11.93,;2.17,-10.51,;3.12,-9.31,;4.63,-9.52,;4.51,-5.08,;3.16,-5.85,;3.16,-7.4,;1.83,-5.08,;.5,-5.85,;-1.1,-6.58,;-1.66,-7.95,;-3.1,-7.88,;-4.16,-6.8,;-3.57,-5.39,;-2.14,-5.61,;-2.13,-4.61,;-1.04,-5.67,;-1.65,-7.13,)|
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(CC(=O)Nc2ccccc2)(Cc2ccccc2)C1=O)c1ccccc1
CCC1(CC(=O)Nc2ccccc2)C(=O)N(CC(=O)N(C(C)C)c2ccccc2)c2ccccc2N(c2ccccc2)C1=O
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)N(C)C
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)N1CCOCC1
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(O)cc1
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)C(O)=O
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(F)cc1
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
COC(=O)n1c(cc2ccccc12)C(=O)NC1C(=O)N(CC(=O)N(C(C)C)c2ccccc2)c2ccccc2N(c2ccccc2)C1=O
c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl
O=C(CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)Nc1ccccc1
CC(C)CCN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2cc(Cl)ccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2ccc(F)cc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2cc(Cl)c(Cl)cc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2cc(F)ccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)Oc2ccccc2)C1=O |TLB:21:20:23:16.15.17,21:16:23:20.22.19,THB:19:18:15:20.22.21,19:20:15:18.23.17|
CC(C)CCN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)Nc2cccc(c2)N(C)C)C1=O |TLB:17:18:22:16.15.21,21:20:23:16.15.17,21:16:23:20.22.19,THB:17:16:22:18.23.19|
Clc1cccc(NC(=O)NC2C(=O)N(CC34CC5CC(CC(C5)C3)C4)c3ccccc3N(C3CCCCC3)C2=O)c1 |TLB:22:21:24:17.16.18,22:17:24:21.23.20,THB:20:19:16:21.23.22,20:21:16:19.24.18|
O=C(NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O)Nc1ccccc1 |TLB:33:32:35:28.27.29,33:28:35:32.34.31,11:12:16:10.9.15,THB:31:30:27:32.34.33,31:32:27:30.35.29,13:12:9:14.16.15,13:14:9:12.17.11,11:10:16:12.17.13|
O=C(N[C@@H]1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:13:12:9:14.16.15,13:14:9:12.17.11|
O=C(NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O)Nc1ccccc1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:13:12:9:14.16.15,13:14:9:12.17.11|
CC(C)CCN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)Oc2cccc(c2)N(C)C)C1=O |TLB:17:18:22:16.15.21,21:20:23:16.15.17,21:16:23:20.22.19,THB:17:16:22:18.23.19|
O=C(NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O)Oc1ccccc1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:13:12:9:14.16.15,13:14:9:12.17.11|
O=C(NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:13:12:9:14.16.15,13:14:9:12.17.11|
CC(C)CCN1c2ccccc2N(CCC(C)C)C(=O)C(NC(=O)Oc2cccc(c2)N(C)C)C1=O
CC(CC1CCCC1)N1c2ccccc2N(C(C)CC2CCCC2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2ccccc2N(Cc2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2ccccc2N(CCC(C)C)C(=O)C(NC(=O)Nc2cccc(c2)N(C)C)C1=O
CC(C)CCN1c2ccccc2N(CCC(C)C)C(=O)C(NC(=O)Nc2ccccc2)C1=O
CC(C)CCN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)Nc2ccccc2)C1=O |TLB:21:20:23:16.15.17,21:16:23:20.22.19,THB:19:18:15:20.22.21,19:20:15:18.23.17|
Fc1ccc(NC(=O)N[C@H]2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(C3CCCCC3)C2=O)cc1
Fc1ccc(NC(=O)NC2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(c3ccccc3F)C2=O)cc1
Fc1ccc(NC(=O)N[C@H]2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(C3CCCCCC3)C2=O)cc1
Fc1ccc(NC(=O)NC2C(=O)N(CC(=O)N3CC4CCC(CC4)C3)c3ccccc3N(c3ccccc3F)C2=O)cc1 |(7.19,-15.84,;7.2,-14.3,;8.53,-13.53,;8.53,-12,;7.2,-11.23,;7.2,-9.69,;5.87,-8.92,;5.87,-7.39,;4.55,-9.69,;3.22,-8.92,;3.15,-7.36,;4.49,-6.61,;1.79,-6.46,;2.01,-4.83,;.72,-3.83,;-.79,-4.45,;.94,-2.22,;2.59,-1.75,;3.29,-.52,;2.59,.99,;.89,1.35,;-.46,.21,;.64,-.87,;1.72,.22,;-.32,-1.45,;.22,-6.97,;-.84,-5.83,;-2.37,-6.17,;-2.83,-7.67,;-1.77,-8.81,;-.25,-8.47,;.57,-9.58,;-.2,-10.9,;.57,-12.23,;-.2,-13.56,;-1.74,-13.56,;-2.49,-12.24,;-1.74,-10.92,;-2.51,-9.58,;2.17,-9.76,;2.57,-11.24,;5.87,-12,;5.87,-13.53,)|