1701 SMILES Strings for Dipeptidyl peptidase 2

Compound Name
SMILES String
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nccn2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nncn2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nccn2n1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nc(C)nn2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1C |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(C)c2ncnn2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|
N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1ccc(F)c(F)c1 |r|
CCc1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1ccc(F)c(F)c1 |r|
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(F)c(F)c1 |r|
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCn2c(CC(F)(F)F)nnc2C1)Cc1cc(F)ccc1F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1 |r|
CCOC(=O)Cn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
CCOC(=O)C(F)(F)n1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(c1)-c1ccc(F)cc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1C |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(Br)c(=O)n(C)c1C |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)c(=O)n(C)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(Br)c(=O)n(C)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1C |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1CO |r|
COc1cc(=O)n(C)cc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)c(Cl)c1F |r|
CCOC(=O)Nc1c(F)c(=O)n(C)cc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CCSC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)CC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
[NH3+][C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
[NH3+][C@@H]([C@@H](CO)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
CN(C)C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
[NH3+][C@@H]([C@@H](CN1CCCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
[NH3+][C@@H]([C@@H](C(O)=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
COC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CNC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
[NH3+][C@@H]([C@@H](c1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
CCNC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CC(C)NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
[NH3+][C@@H]([C@@H](C(=O)NC1CC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
[NH3+][C@@H]([C@@H](C(=O)NCCO)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
[NH3+][C@@H]([C@@H](C(=O)Nc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
CCN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CCN(CC)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
[NH3+][C@@H]([C@@H](C(=O)N1CCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
[NH3+][C@@H]([C@@H](C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
CON(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCSC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCS(=O)(=O)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC[C@H]1C#N)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCOCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1F |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)c(F)c1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)ccc1F |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C#N |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccnc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccncc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccccc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccccc1F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1Cl |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cccc(F)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cccc(Cl)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cc(F)cc(F)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)c(F)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)c(Cl)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Br)cc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1 |r|
CSc1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)C(F)(F)F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)S(C)(=O)=O |r|
COc1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(c(F)c1)-c1ccccc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N1CCCCC1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-n1cccn1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1nccs1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccn1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccnc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccncc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cncnc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1Cl |r|
COc1ccccc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1C |r|
CCOC(=O)c1cccc(c1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C(O)=O |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(NS(=O)(=O)C(F)(F)F)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C(N)=O |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|
COc1ccc(cc1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(C)cc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1 |r|
CCOC(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)cc(F)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)ccc1F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)c(F)c1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-n1cnnn1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnco1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1n[nH]c(=O)[nH]1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1c[nH]c(=O)[nH]1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnc[nH]1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1noc(n1)C1CC1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nc(=O)o[nH]1 |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1 |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)F |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1OC(F)(F)F |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1F |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)(F)F |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1Cl |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cccc(c1)C(F)(F)F |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1 |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(OC(F)(F)F)cc1 |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)C(F)(F)F |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(N)(=O)=O |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1 |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cc(Cl)cc(Cl)c1 |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1Cl |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Br)cc1Cl |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1Cl |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1F)S(C)(=O)=O |r|
C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc(o1)-c1ccc(Cl)cc1Cl |r|
C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1noc(n1)-c1ccc(Cl)cc1Cl |r|
C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nc(co1)-c1ccc(Cl)cc1Cl |r|
C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc([nH]1)-c1ccc(Cl)cc1Cl |r|
C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
C[C@@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|
CC(C)C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CCO)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|
CS(=O)(=O)c1ccc(cc1)-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
Cc1cc(ccc1-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1)S(C)(=O)=O |r|
CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(F)c1 |r|
CC[C@H](C)[C@H](N)C(=O)N1CCSC1 |r|
N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r|
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
O=C(CNCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|
O=C(CNCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|
COc1cc2CCN(Cc2cc1OC)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|
Fc1ccc2CN(CCc2c1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|
O=C(CCNCC(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|
Fc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNCCC(=O)N1CCN(CC1)N1CC=CC(=C1)C#N)N1CCC[C@H]1C#N |r,c:17,19|
O=C(CNCCC(=O)N1CCN(CC1)c1nc2ccccc2s1)N1CCC[C@H]1C#N |r|
O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCc1ccccc1 |r|
[O-][N+](=O)c1ccc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)cc1 |r|
CCC(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
Fc1cc(F)cc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)c1 |r|
CC(C)C(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCCc1ccccc1 |r|
O=C(CCNCC(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|
O=C(CNCCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|
C[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1CCc2cc(F)ccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1CCc2cc(F)cc(F)c2C1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1Cc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
Cc1[nH]nc2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2n[nH]c(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)F |r|
Cn1nc2CCN(Cc2c1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2c(C1)c(nn2CC(F)(F)F)C(F)(F)F)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2nn(CC(F)(F)F)c(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
Cc1nn(c2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)-c1ccc(F)cc1 |r|
Cc1c2CN(CCc2nn1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2n[nH]c(c2C1)C(F)(F)C(F)(F)F)Cc1cc(F)ccc1F |r|
Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)C(F)(F)F |r|
Cn1nc2CCN(Cc2c1C(F)(F)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2[nH]nc(c2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|
Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)-c1ccc(F)cc1 |r|
Cn1nc2CCN(Cc2c1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2noc(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2c(C1)[nH]nc2C(F)(F)F)Cc1cc(F)ccc1F |r|
Cn1nc(c2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)F |r|
N[C@@H](CC(=O)N1CCc2c(C1)n[nH]c2C1CC1)Cc1cc(F)ccc1F |r|
Cn1nc2CN(CCc2c1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2c(C1)noc2C(F)(F)F)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCCc2n[nH]c(c12)C(F)(F)F)Cc1cc(F)ccc1F |r|
Cc1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2nc(sc2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)ccc1F |r|
CSc1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
CS(=O)(=O)c1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2nc(oc2C1)C1CC1)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2sc(nc2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2sc(nc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2sc(nc2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)ccc1F |r|
CS(=O)(=O)c1ccc(cc1)-c1nc2CN(CCc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCc2oc(nc2C1)C1CC1)Cc1cc(F)ccc1F |r|
O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCCC1)N1Cc2ccccc2C1 |r|
Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
Clc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
FC(F)(F)c1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
Cc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
O=C(Nc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
O=C(NCc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
O=C(NCCc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)N1Cc2ccccc2C1 |r|
F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|
F[C@@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|
O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|
CC1(C)N[C@@H](C[C@@H]1C(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
N[C@@H](CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|
N[C@@H](C1CCCCC1)C(=O)N1CCc2ccccc2C1 |r|
N[C@@H](C1CCCCC1)C(=O)N1CCc2ccccc2C1C#N |r|
N[C@H](C(=O)N1CCc2ccccc2C1)c1ccccc1 |r|
Fc1ccc(cc1F)N1CCc2ccccc2C1
O=C(C1CCCN1)N1CCc2ccccc2C1
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 |r|
N[C@@H](C1CCCCC1)C(=O)N1CCCCC1 |r|
N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
N[C@@H](C1CCCCC1)C(=O)N1Cc2ccccc2C1 |r|
NC(CC(=O)N1CCc2ccccc2C1)C(=O)N1Cc2ccccc2C1
COc1cc2CCN(Cc2cc1OC)C(=O)CC(N)C(=O)N1Cc2ccccc2C1
NC(CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1
F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-c1ccccc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
[#6]-[#8]-c1ccc(-[#6]-[#7]-[#6]\[#6](F)=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)cc1
F\[#6](-[#6]-[#7]-[#6]-c1ccc(F)cc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccn1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
[#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#7]-[#6]\[#6](F)=[#6]-1\[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1 |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|
F\[#6](-[#6]-[#7]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]-[#8]-c1ccc(-[#6]-[#7]-[#6]\[#6](F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
F\[#6](-[#6]-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-c1ccc(F)cc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-c1cccc(c1)C(F)(F)F)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#7]-[#6]\[#6](F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
[#6](-[#7]-[#6]-c1ccccc1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
[#6](-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
O=C(CNC1CCCCC1)N1CCCC1
O=C(CNCc1ccccc1)N1CCCC1
O=C(CNCc1ccc2OCOc2c1)N1CCCC1
S=C(CNC1CCCCC1)N1CCCC1
S=C(CNCc1ccccc1)N1CCCC1
S=C(CNCc1ccc2OCOc2c1)N1CCCC1
[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6](-[#7]-[#6]-c1ccccc1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6](-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
O=C(CNC1CCCCC1)N1CCCCC1
O=C(CNCc1ccccc1)N1CCCCC1
O=C(CNCc1ccc2OCOc2c1)N1CCCCC1
O=C(CNC1CCN(Cc2ccccc2)CC1)N1CCCCC1
S=C(CNC1CCCCC1)N1CCCCC1
S=C(CNCc1ccccc1)N1CCCCC1
S=C(CNCc1ccc2OCOc2c1)N1CCCCC1
F\C(CNCCc1ccccc1)=C1\CCCC1C#N
F\C(CNC12CC3CC(CC(C3)C1)C2)=C1\CCCC1C#N |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|
F\C(CNCc1ccc(F)cc1)=C1\CCCC1C#N
F\C(CNCCc1ccccc1)=C1/CCCC1C#N
F\C(CNC12CC3CC(CC(C3)C1)C2)=C1/CCCC1C#N |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|
F\C(CNCc1ccc(F)cc1)=C1/CCCC1C#N
O=C(CNCCc1ccccc1)N1CCC[C@H]1C#N |r|
O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1C#N |r,TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|
Fc1ccc(CNCC(=O)N2CCC[C@H]2C#N)cc1 |r|
N[C@@H](CC(=O)N1CCCNC(=O)C1)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cn1cccn1)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
CCN1CCCN([C@H](C)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
COC(=O)CN1CCCN([C@H](C)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
C[C@H]1N(CCCN(CC(O)=O)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
C[C@H]1N(CCCN(C2CC2)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
C[C@H]1N(CCCN(C)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CCCN(CCO)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CCCN(CCOCc2ccccc2)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CCCN(CC(F)(F)F)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CCCN(C2CC2)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CCCN(C1=O)C(C)(C)C)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC1CCNC(=O)CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1CNC(=O)[C@@H](C)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@@H]1CNC(=O)[C@@H](C)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC[C@H]1N(C[C@@H](C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC[C@H]1N(C[C@H](C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1CNC(=O)[C@@H](CC(F)(F)F)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@@H]1CNC(=O)[C@@H](CC(F)(F)F)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CC(C)(C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@@H]1CCN([C@H](CC(F)(F)F)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@@H]1CCN([C@H](Cc2ccccc2C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@@H]1CCN([C@H](Cc2ccccc2F)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@@H]1CCN([C@H](Cc2ccccn2)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CC[C@@H](NC1=O)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC[C@@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1N(CC[C@@H](Cc2ccccc2F)NC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC[C@H](C)[C@H]([NH3+])C(=O)N1CCSC1 |r|
CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCSC1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)S(=O)(=O)c1ccc(C)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(C)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(F)cc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NC(C)=O)cc1 |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NC(C)=O)cc1 |r|
CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(C)=O |r|
C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(C)=O |r|
N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F |r|
N[C@H](CN1C(O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C1CCC1 |r|
N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccncc1 |r|
N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccco1 |r|
COCCc1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1[C@@H](O)C(F)(F)CCC1=O |r|
N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1cccs1 |r|
C[C@H](N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
N[C@@H](CC(N)=O)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
NCC(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
NCCCC[C@H](N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
N[C@@H](Cc1ccccc1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
N[C@@H](CO)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
C[C@H](N)C(=O)NC(C)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)CC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)C1CCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)CN)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)Cc1cnc[nH]1)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(C)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(C)C[C@H](N)C(=O)NC(C)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)CCCCN)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)C1CCCN1)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)CO)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(C)[C@H](N)C(=O)NC(C)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(CC)P(=O)(Oc1ccccc1)Oc1ccccc1
CCCC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
CCCC(NC(=O)[C@@H](N)C(C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1
CCCC(NC(=O)[C@@H](N)CCCCN)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(C(C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(CC(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(C(CC)CC)P(=O)(Oc1ccccc1)Oc1ccccc1
N[C@@H](CC1CCCCC1)C(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
NCC[C@H](N)C(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
N[C@@H](Cc1cnc[nH]1)C(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(CC1C=CC=C1)P(=O)(Oc1ccccc1)Oc1ccccc1 |c:12,14|
CCC(C)[C@H](N)C(=O)NC(c1ccc(cc1)C#N)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)[C@H](N)C(=O)NC(c1cccc(c1)C#N)P(=O)(Oc1ccccc1)Oc1ccccc1
O=C(CNC1CCCC1)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
O=C(CNC1CCCC1)NC(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
O=C(CNC1CCCCC1)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
O=C(CNCc1ccccc1)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
CCC(C)NCC(=O)NC(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
CC(C)CNCC(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
O=C(CNC(=O)c1cccc2ccccc12)N1CCCC1C#N
O=C(CNC(=O)c1cnc2ccccc2c1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCCC1C#N
O=C(CNC(=O)c1c[nH]c2ccccc12)N1CCCC1C#N
O=C(CNC(=O)c1cccc2cccnc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc2ncccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cncc2ccccc12)N1CCCC1C#N
O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2ccccc12)N1CCCC1C#N
O=C(CNC(=O)c1cccc2cnccc12)N1CCCC1C#N
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1 |r|
O=C(CNC(=O)c1ccncc1)N1CCC[C@H]1C#N |r|
Cc1nc2ccccc2c(C(=O)NCC(=O)N2CCC[C@H]2C#N)c1O |r|
Fc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Clc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Clc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Brc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N |r|
COc1ccc(cc1OC)-c1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r|
Cn1cncc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Cc1ncsc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Cc1ncoc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)C1CCNCC1)N1CCC[C@H]1C#N |r|
Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|
O=C(CNC(=O)c1ccnc2cccc(-c3ccccc3)c12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2cc(ccc12)-c1ccccc1)N1CCC[C@H]1C#N |r|
Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1[N+]#[C-] |r|
COc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)C1=CC=NC2=NC=CC12)N1CCC[C@H]1C#N |r,c:8,12,t:6,10|
O=C(CNC(=O)c1ccnc2ncnn12)N1CCC[C@H]1C#N |r|
OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2cnccc12)N1CCC[C@H]1C#N |r|
O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(Cc1c[nH]cn1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1nc[nH]n1)N1CCC[C@H]1C#N |r|
Oc1cnc2ccccc2c1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(C3)C1)C2 |r,TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:1:12:15:18.19.17,20:18:15:21.12.13,20:12:15:18.19.17|
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(Cl)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|
CC1(CCCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|
CC1(CCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)(F)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CN(CB(O)O)C(=O)[C@@H](N)CCC(O)=O |r|
C[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C1(CC1)C(F)(F)F |r|
CC[C@H](N)C(=O)N1CCC[C@H]1B(O)O
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|
N[C@@H](C1CCCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|
N[C@@H](CC(N)=O)C(=O)N1Cc2ccc(F)cc2C1 |r|
CN(C)C(=O)C[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC1(CCCCC1)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2[C@H]1B(O)O |r|
CC(C)(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2[C@H]1B(O)O |r|
Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CCCCN1 |r|
NCCCC[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
N[C@@H](C1CCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|
NC1(CCNCC1)C(=O)N1Cc2ccc(F)cc2C1
NC1(CCNCC1)C(=O)N1Cc2ccccc2C1
NC1(CCNCC1)C(=O)N1CCSC1
CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|
CC(C)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O |r|
CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)CO |r|
CC1(C)CCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
CC1(CC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
CC(C)C[C@H](N)C(=O)N1CCC[C@H]1B(O)O
NCCCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O
OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(F)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|
CC[C@@H](C)C(N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC(C)(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC(C)[C@H](N(C)C)C(=O)N1CCC[C@H]1B(O)O |r|
COC1CCN(CC1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
Cc1cc(cc2c(ccnc12)C(=O)NCC(=O)N1CSC[C@H]1C#N)N1CCOCC1 |r|
CC1(CF)CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
O=C(CNC(=O)c1ccnc2ccc(cc12)N1CCOCC1)N1CSC[C@H]1C#N |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
FC[C@H]1CN(CCO1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
C[C@@H]1CN(C[C@@H](C)O1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
FC[C@@H]1CN(CCO1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
C[C@@H]1CN(CCO1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
C[C@H]1CN(CCO1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
O=C(CNC(=O)c1ccnc2ccc(cc12)N1CCC2(CCCCC2)OC1=O)N1CSC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2ccc(cc12)N1CCC2(CCCC2)OC1=O)N1CSC[C@H]1C#N |r|
COC1(C)CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
O=C(CNC(=O)c1ccnc2ccc(cc12)N1CC2(C1)OCCO2)N1CSC[C@H]1C#N |r|
Cc1nn(C)cc1-c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
FC(F)(F)c1ccc2c(ccnc2c1)C(=O)NCC(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
CC[C@H](C)[C@H](N)C(=O)N1CCCC1 |r|
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCCC1 |wU:1.0,5.8,wD:2.7,(5.83,-7.06,;5.83,-5.5,;4.5,-4.73,;4.5,-3.19,;3.16,-2.42,;1.83,-3.19,;1.83,-4.73,;3.16,-5.5,;.48,-2.39,;-.86,-3.16,;-.07,-4.51,;-2.2,-3.94,;-1.63,-1.81,;-.86,-.48,;-1.63,.86,;-3.18,.86,;-3.97,2.2,;-3.95,-.48,;-3.18,-1.81,;-3.97,-3.14,;7.16,-4.73,;7.16,-3.19,;8.51,-5.5,;9.85,-4.73,;11,-5.78,;10.37,-7.18,;8.84,-7.02,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(NS(=O)(=O)CC(F)(F)F)cc1)C(=O)N1CCCC1 |r,wU:5.8,wD:2.1,1.0,(13.27,5.92,;14.6,5.15,;14.6,3.61,;13.27,2.83,;13.27,1.28,;14.6,.51,;15.95,1.28,;15.95,2.83,;14.6,-1.03,;13.27,-1.79,;14.03,-3.13,;12.5,-.46,;11.93,-2.55,;10.6,-1.76,;9.26,-2.51,;9.25,-4.05,;7.91,-4.81,;7.89,-6.35,;6.35,-6.34,;9.43,-6.37,;7.88,-7.89,;6.54,-8.65,;5.2,-9.4,;7.3,-9.99,;5.78,-7.31,;10.58,-4.84,;11.91,-4.08,;15.93,5.92,;15.93,7.46,;17.27,5.15,;17.43,3.63,;18.93,3.31,;19.7,4.64,;18.67,5.79,)|
CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
C[C@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
O=C(NC1(CC1)C(=O)N1CCC[C@H]1C#N)c1ccnc2ccccc12 |r|
CN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
O=C(CN(C1CC1)C(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
Clc1ccc(CN(CC(=O)N2CCC[C@H]2C#N)C(=O)c2ccnc3ccccc23)cc1 |r|
COCCN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
CC(C)CCN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
COCCN(CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12 |r|
CN(CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12 |r|
CN(CC(=O)N1CCC[C@H]1C#N)CC(=O)N1CCC[C@H]1C#N |r|
O=C(Cn1cc(nn1)-c1ccccc1)N1CCC[C@H]1C#N |r|
Fc1ccc(cc1)-c1cn(CC(=O)N2CCC[C@H]2C#N)nn1 |r|
O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N1Cc2ccccc2C1 |r|
O=C(Cn1cc(nn1)-c1cccc2ccccc12)N1CCC[C@H]1C#N |r|
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
FC1(F)C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|
C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|
Clc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Brc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Nc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnnc1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ncn[nH]1)N1CCC[C@H]1C#N |r|
Nc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
FC(F)(F)C(=O)Nc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2[nH]ccc12)N1CCC[C@H]1C#N |r|
Fc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
COc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
F[C@@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
O=C(CNC(=O)c1ccnc2ccccc12)N1CCCC1
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2cccc(Br)c12 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2cccc(C#N)c12 |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1CCC[C@H]1C#N |r|
O[C@]12C[C@@H]3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:4:3:10:5.7.6,4:5:10:3.9.2,THB:2:1:7:3.9.4,2:3:7:1.10.6|
[O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cnc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.23,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;4.39,-9.99,;3.08,-10.76,;1.73,-9.99,;1.73,-8.45,;3.06,-7.68,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:21.24,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;5.75,-3.09,;4.42,-5.4,;5.75,-4.63,;5.74,-6.16,;7.07,-6.93,;8.4,-6.16,;9.73,-6.93,;11.07,-6.16,;11.06,-4.61,;9.73,-3.86,;8.4,-4.61,;7.07,-3.86,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccc(Cl)c(Cl)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.22,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.45,;7.08,-9.99,;5.74,-10.76,;5.74,-12.3,;4.39,-9.99,;3.06,-10.76,;4.39,-8.45,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(I)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:17.19,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;4.39,-9.99,;3.06,-7.68,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cncc2ccccc12)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.23,(9.96,1.56,;11.3,.8,;9.98,.02,;9.98,-1.53,;11.3,-2.29,;12.63,-1.53,;12.63,.02,;11.3,-3.83,;12.65,-4.61,;13.98,-3.83,;12.65,-6.15,;11.3,-6.91,;11.3,-8.45,;12.63,-9.22,;13.98,-8.43,;15.3,-9.2,;16.63,-8.43,;16.62,-6.88,;15.29,-6.13,;13.97,-6.91,;11.3,2.34,;9.97,3.11,;12.65,3.13,;12.65,4.67,;13.98,2.34,;15.39,2.97,;16.42,1.82,;15.65,.48,;14.15,.81,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(NC(=O)N(C)C)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:23.25,(4.87,-1.51,;6.21,-2.27,;4.88,-3.06,;4.88,-4.6,;6.21,-5.35,;7.54,-4.6,;7.54,-3.06,;6.21,-6.89,;7.54,-7.66,;8.87,-6.89,;7.54,-9.2,;8.87,-8.43,;10.18,-7.66,;11.51,-8.43,;11.51,-9.97,;12.84,-10.74,;14.19,-9.97,;15.52,-10.74,;14.19,-8.43,;15.52,-7.66,;12.84,-7.66,;10.18,-10.74,;8.85,-9.97,;6.21,-.73,;4.88,.04,;7.54,.05,;7.54,1.59,;8.87,-.73,;10.27,-.1,;11.32,-1.24,;10.55,-2.59,;9.04,-2.27,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(F)c(F)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:19.21,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;7.07,-5.39,;8.4,-6.14,;8.41,-7.7,;9.74,-8.47,;7.07,-8.47,;7.07,-10.01,;5.74,-7.7,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1cccc2ccccc12)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.25,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.45,;7.08,-9.99,;5.74,-10.76,;4.39,-9.99,;3.08,-10.76,;1.75,-9.99,;1.75,-8.45,;3.08,-7.68,;4.41,-8.45,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:19.21,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;7.07,-5.39,;8.4,-6.14,;8.41,-7.7,;9.74,-8.47,;7.07,-8.47,;7.07,-10.01,;5.74,-7.7,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1F)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.22,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;4.42,-5.4,;5.75,-3.09,;5.75,-4.63,;7.07,-3.86,;8.4,-4.61,;8.4,-6.17,;9.73,-6.94,;7.07,-6.93,;7.07,-8.47,;5.74,-6.16,;4.4,-6.93,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCSC1 |r,wU:1.0,21.23,4.7,(35.51,-27.56,;36.6,-26.47,;36.6,-28.01,;37.93,-28.77,;39.26,-28.01,;39.26,-26.47,;37.93,-25.69,;40.59,-28.78,;41.93,-28.01,;41.93,-26.47,;43.26,-28.78,;43.25,-30.32,;44.58,-31.09,;45.92,-30.32,;47.25,-31.09,;47.25,-32.63,;48.59,-33.4,;45.92,-33.4,;47.24,-34.17,;45.92,-28.78,;44.59,-28.01,;35.27,-25.7,;35.26,-24.16,;33.93,-26.48,;33.94,-28.02,;32.6,-25.71,;31.19,-26.33,;30.16,-25.19,;30.92,-23.86,;32.43,-24.17,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCSC1 |wU:22.24,4.7,1.0,(4.31,-7.01,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;5.64,-6.24,;5.64,-7.78,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;8.62,-7.74,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(I)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:18.20,(-6.59,8.08,;-5.25,7.31,;-6.57,6.54,;-6.57,5,;-5.25,4.22,;-3.92,5,;-3.92,6.54,;-5.25,2.68,;-3.9,1.91,;-2.57,2.68,;-3.9,.37,;-2.57,1.14,;-1.25,1.91,;.08,1.15,;.08,-.41,;1.41,-1.18,;-1.25,-1.17,;-2.59,-.4,;-5.25,8.85,;-6.59,9.62,;-3.9,9.64,;-3.9,11.18,;-2.57,8.87,;-1.16,9.48,;-.13,8.33,;-.9,7.01,;-2.41,7.33,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(NC(=O)N(C)C)cc1)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:23.25,(10.79,7.46,;12.14,6.7,;10.81,5.91,;10.81,4.36,;12.14,3.6,;13.47,4.36,;13.47,5.91,;12.14,2.06,;13.48,1.29,;13.48,-.26,;14.81,2.06,;14.81,.51,;16.12,1.29,;17.45,.53,;17.45,-1.03,;18.8,-1.8,;20.13,-1.03,;20.13,.51,;21.47,-1.8,;21.46,-3.34,;22.81,-1.03,;16.12,-1.78,;14.79,-1.01,;12.14,8.23,;10.8,9,;13.48,9.01,;13.48,10.55,;14.81,8.24,;14.97,6.7,;16.48,6.38,;17.26,7.72,;16.21,8.85,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccccc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,18.20,1.0,(2.84,-3.3,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-3.86,2.13,;-5.19,2.9,;-6.52,2.13,;-7.87,2.89,;-7.87,4.44,;-6.52,5.21,;-5.19,4.44,;4.17,-2.53,;4.17,-4.08,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;7.18,-4.05,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.25,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;5.75,-3.09,;4.42,-5.4,;5.75,-6.17,;5.75,-7.72,;7.08,-8.47,;7.09,-10.02,;5.75,-10.79,;5.75,-12.32,;4.43,-13.09,;3.09,-12.32,;3.09,-10.79,;4.42,-10.02,;4.42,-8.47,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(I)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:18.20,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.47,;8.41,-7.7,;9.74,-8.47,;8.4,-6.14,;7.07,-5.39,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cccc2ccccc12)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.23,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;3.06,-7.68,;1.75,-8.45,;.42,-7.68,;.42,-6.14,;1.75,-5.39,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cccc2ccccc12)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.23,(12.92,.92,;11.58,.16,;10.25,-.63,;10.25,-2.17,;11.58,-2.92,;12.91,-2.17,;12.91,-.63,;11.58,-4.46,;12.91,-5.23,;14.24,-4.46,;12.91,-6.77,;11.58,-7.54,;11.58,-9.08,;12.91,-9.85,;14.24,-9.06,;15.57,-9.83,;16.89,-9.06,;16.88,-7.52,;15.55,-6.77,;14.24,-7.54,;11.58,1.7,;10.25,2.47,;12.91,2.47,;12.91,4.01,;14.24,1.7,;15.66,2.33,;16.69,1.18,;15.92,-.16,;14.4,.16,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1F)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.22,(19.22,3.49,;17.88,2.72,;16.55,1.94,;16.55,.4,;17.88,-.36,;19.21,.4,;19.21,1.94,;17.88,-1.9,;19.21,-2.67,;20.54,-1.9,;19.21,-4.21,;20.54,-3.44,;21.86,-2.67,;23.19,-3.44,;23.19,-4.98,;24.53,-5.75,;21.86,-5.75,;21.85,-7.29,;20.53,-4.98,;19.2,-5.74,;17.88,4.26,;16.55,5.03,;19.21,5.06,;19.21,6.58,;20.54,4.26,;21.96,4.89,;22.99,3.75,;22.22,2.4,;20.7,2.72,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCCC1 |wU:22.24,4.7,1.0,(4.31,-7.01,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;5.64,-6.24,;5.64,-7.78,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;8.62,-7.74,;10.15,-7.9,;10.79,-6.5,;9.64,-5.47,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccccc1)[C@H](N)C(=O)N1CCCC1 |wU:4.7,18.20,1.0,(2.84,-3.3,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;4.17,-2.53,;4.17,-4.08,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;7.18,-4.05,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,18.20,1.0,(2.09,-2.17,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;3.41,-1.4,;3.41,-2.93,;4.74,-.63,;4.74,.91,;6.07,-1.4,;7.39,-.63,;8.54,-1.67,;7.9,-3.05,;6.39,-2.9,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)[C@H](N)C(=O)N1CCCC1 |wU:4.7,18.20,1.0,(2.09,-2.17,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;3.41,-1.4,;3.41,-2.93,;4.74,-.63,;4.74,.91,;6.07,-1.4,;6.39,-2.9,;7.9,-3.05,;8.54,-1.67,;7.39,-.63,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:18.20,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;4.39,-9.99,;3.06,-7.68,;1.73,-8.45,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1cccc(c1)C#N)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:19.21,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;4.42,-5.4,;5.75,-3.09,;5.75,-4.63,;7.07,-3.86,;8.4,-4.61,;8.4,-6.17,;7.07,-6.93,;5.74,-6.16,;7.07,-8.47,;7.06,-10.02,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.23,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;4.39,-9.99,;3.08,-10.76,;1.73,-9.99,;1.73,-8.45,;3.06,-7.68,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.24,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;7.07,-5.39,;8.4,-6.14,;8.41,-7.7,;9.74,-8.47,;11.07,-7.68,;12.28,-6.98,;12.58,-8.26,;11.32,-6.1,;7.07,-8.47,;5.74,-7.7,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@]12C[C@@H](COC(=O)C3CC3)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|
[H][C@]12C[C@@H](COC(C)=O)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|
[H][C@]12C[C@@H](COC(=O)C3CCC3)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|
[H][C@]12C[C@@H](CNC(C)=O)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|
[H][C@]12C[C@@H](CNS(=O)(=O)c3ccc(C)cc3)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|
[H][C@]12C[C@@H](CNS(=O)(=O)C(F)(F)F)N(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)[C@@]1([H])CCCC2 |r|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1CCCC1 |wU:5.8,1.0,wD:2.7,(4.17,-4.08,;4.17,-2.53,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;7.18,-4.05,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H](F)C1 |wU:5.8,1.0,26.28,wD:2.7,(6.77,-10.92,;6.77,-9.36,;5.44,-8.59,;5.44,-7.05,;4.11,-6.28,;2.78,-7.05,;2.78,-8.59,;4.11,-9.36,;1.43,-6.26,;.1,-7.03,;.1,-8.57,;-1.23,-6.26,;-1.23,-4.71,;-2.56,-3.94,;-3.91,-4.71,;-3.91,-6.26,;-2.57,-7.03,;-2.57,-8.57,;-4.11,-8.57,;-1.03,-8.57,;-2.57,-10.11,;8.1,-8.59,;8.1,-7.05,;9.45,-9.36,;10.79,-8.59,;11.93,-9.64,;11.3,-11.04,;12.07,-12.4,;9.78,-10.88,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(F)(F)C1 |wU:5.8,1.0,wD:2.2,(3.86,-3.65,;3.86,-2.11,;2.53,-1.34,;2.53,.21,;1.2,.98,;-.13,.21,;-.13,-1.34,;1.2,-2.11,;-1.49,1,;-2.82,.23,;-2.82,-1.31,;-4.15,1,;-5.48,.23,;-6.83,1,;-6.83,2.56,;-8.18,3.33,;-5.48,3.33,;-5.46,4.87,;-4.15,2.56,;5.19,-1.34,;5.19,.21,;6.53,-2.11,;7.87,-1.34,;9.01,-2.38,;8.38,-3.76,;9.08,-5.14,;7.54,-5.07,;6.86,-3.62,)|
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N[C@@H](C1CCCCC1)C(=O)N1CCSC1
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)[C@H](N)C(=O)N1CC[C@H](F)C1 |r,wU:4.7,19.21,1.0,wD:1.1,26.28,(1.34,.92,;-.05,.24,;-.05,1.79,;-1.38,2.56,;-2.72,1.79,;-2.72,.24,;-1.38,-.53,;-4.05,2.56,;-5.38,1.78,;-6.47,.7,;-4.29,.7,;-6.72,2.55,;-6.72,4.1,;-8.05,4.87,;-9.38,4.1,;-10.72,4.87,;-9.38,2.55,;-8.05,1.78,;-8.05,.24,;1.29,-.53,;1.29,-2.07,;2.62,.24,;2.62,1.78,;3.95,-.53,;5.2,.38,;6.44,-.53,;5.97,-1.99,;6.87,-3.24,;4.43,-1.99,)|
N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(=O)(=O)C(F)(F)F)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc(F)c1)C(=O)N1CCSC1
COc1ccc(NC(=O)O[C@@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
N[C@@H]([C@H]1CCC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
COc1ccc(NC(=O)O[C@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
COc1ccc(NC(=O)O[C@@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
COc1ccc(NC(=O)O[C@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCCC1
N[C@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc(F)c1)C(=O)N1CCSC1
N[C@@H]([C@@H]1CC[C@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
CO[C@@H]1CCC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCSC1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCCC1
CS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
CS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
COc1ccc(NC(=O)O[C@@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
N[C@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc2ccccc12)C(=O)N1CCSC1
CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
N[C@@H]([C@H]1CCC[C@H](O)C1)C(=O)N1CCCC1
COc1ccc(NC(=O)O[C@@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
N[C@@H]([C@@H]1CC[C@@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCSC1
N[C@@H]([C@H]1CC[C@H](O)C1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)NC(=O)c1cccc2ccccc12)C(=O)N1CCSC1
N[C@@H]([C@H]1CC[C@H](C1)NC(=O)c1cccc2ccccc12)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](O)C1)C(=O)N1CCCC1
COc1ccc(NC(=O)O[C@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccccc1-c1ccccc1)C(=O)N1CCCC1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
N[C@@H]([C@H]1CCC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
N[C@@H](CCNC(=O)c1ccccc1)C(=O)N1CCCCC1
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC(O)CC1
CC1CCCN(C1)C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1
N[C@@H](CCNCc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1
COc1cccc(CNCC[C@H](N)C(=O)N2CCCCC2)c1
N[C@@H](CCNCC1CCCCC1)C(=O)N1CCCCC1
CC1CCN(CC1)C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1
N[C@@H](CCNCc1ccccc1)C(=O)N1CCCCC1C#N
NCC[C@H](NC1CCNCC1)C(=O)N1CCCCC1
N[C@@H](CCNCc1cccc(Cl)c1)C(=O)N1CCCCC1
N[C@@H](CCNc1ncccc1[N+]([O-])=O)C(=O)N1CCCCC1
N[C@@H](CCNCCCc1ccccc1)C(=O)N1CCCCC1
N[C@@H](CCNCCc1ccccc1)C(=O)N1CCCCC1
N[C@@H](CCNCc1ccncc1)C(=O)N1CCCCC1
N[C@@H](CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC=CC1 |c:19|
N[C@@H](CCNCc1ccccc1OCc1ccccc1)C(=O)N1CCCCC1
N[C@@H](CCNCc1cccc(c1)C#N)C(=O)N1CCCCC1
NCC[C@H](N)C(=O)N1CCCC[C@H]1C#N
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC(F)CC1
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 |r|
N[C@@H](CCNCc1cccs1)C(=O)N1CCCCC1
N[C@@H](CCNCc1ccccc1)C(=O)N1CCCCC1
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCC(O)C1
N[C@@H](CCNCc1cccc2ccccc12)C(=O)N1CCCCC1
N[C@@H](CCNC(N)=N)C(=O)N1CCCCC1
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1C#N
N[C@@H](CCNc1ccccc1)C(=O)N1CCCCC1
COc1ccc(CNCC[C@H](N)C(=O)N2CCCCC2)cc1
N[C@@H](CCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1
CN[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
COc1ccccc1CNCC[C@H](N)C(=O)N1CCCCC1
CC(=O)NCC[C@H](N)C(=O)N1CCCCC1
CN(CC[C@H](N)C(=O)N1CCCCC1)Cc1ccc(Cl)cc1
N[C@@H](CCNC1CCNCC1)C(=O)N1CCCCC1
NCC[C@H](NCc1ccccc1)C(=O)N1CCCCC1
CC1CCCCN1C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCC(F)C1
COc1ccc(CNCC[C@H](N)C(=O)N2CCCCC2)c(OC)c1
N[C@@H](CCNC1CCCCC1)C(=O)N1CCCCC1
N[C@@H](CCNCc1ccccc1Cl)C(=O)N1CCCCC1
N[C@@H](CCNCc1ccc2ccccc2c1)C(=O)N1CCCCC1
[#7]-[#6]-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
N[C@@H](CCNc1ccc(cn1)C#N)C(=O)N1CCCCC1
NCC[C@H](N)C(=O)N1CCCCC1 |r|
N[C@@H](CC(=O)N1CCSC1)Cc1cccc(c1)C#N
N[C@@H](CC(=O)N1CCSC1)Cc1ccc(F)cc1F
N[C@@H](CC(=O)N1CCSC1)Cc1ccc(Cl)c(Cl)c1
N[C@@H](CC(=O)N1CCSC1)Cc1ccccc1
N[C@@H](CC(=O)N1CCSC1)Cc1ccc(F)c(F)c1
N[C@@H](CC(=O)N1CCSC1)Cc1ccc(I)cc1
N[C@@H](CC(=O)N1CCSC1)Cc1ccccc1C(F)(F)F
N[C@@H](CC(=O)N1CCSC1)Cc1ccc(cc1)[N+]([O-])=O
N[C@@H](CC(=O)N1CCSC1)Cc1cc(F)ccc1F |r|
N[C@@H](CC(=O)N1CCSC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCSC1)Cc1ccccc1C#N
N[C@@H](CC(=O)N1CCSC1)Cc1ccc(F)cc1
Cc1ccccc1C[C@@H](N)CC(=O)N1CCSC1
N[C@@H](CC(=O)N1CCSC1)Cc1ccc(Cl)cc1
N[C@@H](CC(=O)N1CCSC1)Cc1cccc(F)c1
N[C@@H](CC(=O)N1CCSC1)Cc1ccccc1F
N[C@@H](CC(=O)N1CCSC1)Cc1cccc(c1)C(F)(F)F
N[C@@H](CC(=O)N1CCNCC1)Cc1ccccc1F
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(Cc3ccccc3)C2)C(=O)C[C@@H](N)Cc2ccccc2)c1
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN([C@@H](Cc3ccccc3)C2)C(=O)C[C@H](N)Cc2ccccc2F)c1
C[C@@H]1CNCCN1C(=O)C[C@H](N)Cc1ccccc1F
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN([C@H](Cc3ccccc3)C2)C(=O)C[C@H](N)Cc2ccccc2F)c1
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN([C@@H](Cc3ccccc3)C2)C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)c1
N[C@@H](CC(=O)N1CCOC[C@H]1Cc1ccccc1)Cc1ccccc1F
N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccc(F)cc1)Cc1ccccc1F
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(Cc3ccccc3)C2)C(=O)C[C@H](N)Cc2ccccc2F)c1
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(Cc3ccccc3)C2)C(=O)C[C@@H](N)Cc2ccccc2F)c1
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(Cc3ccccc3)C2)C(=O)C[C@H](N)Cc2ccccc2)c1
N[C@@H](CC(=O)N1CCN(CC(N)=O)C[C@H]1Cc1ccccc1)Cc1ccccc1F
N[C@@H](CC(=O)N1CCNC[C@H]1Cc1cccnc1)Cc1ccccc1F
N[C@@H](CC(=O)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccccc1)Cc1ccccc1F
CC(C)[C@@H]1CNCCN1C(=O)C[C@H](N)Cc1ccccc1F
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(Cc3ccccc3)C2)C(=O)C[C@@H](N)Cc2ccc(F)c(F)c2)c1
CN1CCN([C@H](Cc2ccccc2)C1)C(=O)C[C@H](N)Cc1ccccc1F
N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCNC[C@H]1Cc1cscn1)Cc1ccccc1F
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(Cc3ccccc3)C2)C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)c1
N[C@@H](CC(=O)N1CCNC[C@H]1c1ccc(F)cc1)Cc1ccccc1F
N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F |r|
CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN([C@H](Cc3ccccc3)C2)C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)c1
N[C@@H](CC(=O)N1CCCC[C@H]1Cc1ccccc1)Cc1ccccc1F
N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1cc(F)ccc1F
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2cc(F)ccc2F)cc1)C(O)=O
COC(=O)Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)CC([NH3+])Cc2ccccc2F)cc1
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(O)=O
[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(O)=O)Cc1ccc(F)c(F)c1
[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCCCCc1nnn[nH]1)Cc1ccccc1F
[NH3+]C(CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(CC(O)=O)cc1)Cc1ccccc1F
[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(F)(F)F)Cc1ccccc1F
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C([NH3+])C2CCCCC2)cc1)C(O)=O
COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
CCCC[C@@H](NC(=O)[C@@H](N)CCC)B(O)O
CCCC[C@@H](NC(=O)[C@H](C)N)B(O)O
CCCC[C@@H](NC(=O)[C@@H](N)CCCN)B(O)O
CCCCCNC(=O)[C@@H](N)CCN
CCCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O
CCCC[C@@H](NC(=O)[C@@H](N)CC)B(O)O
CCCC[C@@H](NC(=O)[C@@H](N)CCCCN)B(O)O
N[C@H](CC(N)C(O)=O)N1CCCCC1
CCCC[C@@H](NC(=O)[C@@H](N)CCN)B(O)O
CCCC[C@@H](NC(=O)[C@@H]1CCCN1)B(O)O
NCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O
CC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O
CCCC[C@H](N)C(=O)N[C@H](CCCC)B(O)O
CCCC[C@@H](NC(=O)[C@@H](N)C(C)C)B(O)O
CCCCCNC(=O)[C@@H](N)CCCC
CCCC[C@@H](NC(=O)[C@@H](N)CN)B(O)O
CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
OB(O)[C@H]1CCCN1C(=O)CNC1C2CC3CC(C2)CC1C3 |wU:3.2,TLB:11:12:19:15.21.16,14:15:19:13.12.18,THB:16:17:12:15.14.21,16:15:12:17.19.18,14:13:19:15.21.16,(14.33,-8.43,;13.44,-7.16,;14.08,-5.74,;11.88,-7.31,;11.1,-8.65,;9.61,-8.32,;9.44,-6.8,;10.85,-6.16,;11.13,-4.63,;12.58,-4.12,;9.96,-3.64,;8.51,-4.15,;7.17,-4.92,;7.17,-6.47,;6.14,-7.73,;4.74,-7.17,;3.24,-7.59,;4.43,-6.32,;5.77,-6.81,;4.43,-4.83,;5.77,-4.35,;4.74,-5.58,)|
B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O
OB(O)[C@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:15:16:20:14.13.19,THB:17:18:13:16.21.15,17:16:13:18.20.19,15:14:20:16.21.17|
OB(O)[C@@H]1CCCN1C(=O)CNC1CCCCCC1
CN(CC(=O)N1CCC[C@@H]1B(O)O)C1C2CC3CC(C2)CC1C3 |wU:9.10,TLB:1:13:15:18.19.17,THB:17:18:13:16.15.22,17:16:13:18.19.20,20:21:15:18.19.17,20:18:15:13.21.22,(7.42,-3.05,;8.52,-4.15,;9.97,-3.63,;11.14,-4.63,;12.59,-4.12,;10.83,-6.16,;9.45,-6.79,;9.59,-8.31,;11.11,-8.64,;11.89,-7.3,;13.43,-7.15,;14.34,-8.42,;14.08,-5.74,;7.19,-4.92,;5.78,-4.35,;4.43,-4.82,;4.44,-6.31,;3.23,-7.58,;4.75,-7.16,;4.75,-5.57,;6.16,-7.72,;7.18,-6.46,;5.78,-6.8,)|
CC12CC3(C)CC(C)(C1)CC(C2)(C3)NCC(=O)N1CCC[C@@H]1B(O)O |TLB:0:1:9:3.12.5,4:3:9:1.11.8,4:3:11:6.9.8,5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8,5:6:11:3.12.2|
OB(O)[C@@H]1CCCN1C(=O)CNC1CCCCC1
OB(O)[C@@H]1CCCN1C(=O)CNC1CCC1
OB(O)[C@@H]1CCCN1C(=O)CNC1CCCC1
CCCCCC12CCC(CC1)(CC2)NCC(=O)N1CCC[C@H]1B(O)O
OC(O)[C@@H]1CCCN1C(=O)CNC1CC2CC1CCC2 |TLB:11:12:15:17.18.19|
C[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
OB(O)[C@@H]1CCCN1C(=O)CNC1CCCCCCC1
OB(O)[C@@H]1CCCN1C(=O)CNC1CC1
OB(O)[C@@H]1CCCN1C(=O)CNC1CCCCCCCCC1
COc1ccc(CS(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
COc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 |r|
CC(C)(SCc1ccncc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(F)cc1
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)S(C)(=O)=O
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)CCCc1ccccc1
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(OCc2ccccc2)cc1
CC(=O)NCSC(C)(C)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)(SCc1ccc(cc1)C(F)(F)F)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
COc1ccccc1CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1csc2ccc(Cl)cc12
COc1cccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)c1
CC(C)(SCc1cccnc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)(SCc1ccccn1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(O)(=O)=O
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)C#N
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)-c1ccccc1
Cc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
CC(C)(SCc1cccc(Oc2ccccc2)c1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccncc1
COc1ccc(CSC(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
CC(C)(SCCCc1ccc(F)cc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccccc1
CC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
CC(C)(SCCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)(SCCCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1cccc(Oc2ccccc2)c1
B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O
O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
CCCCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N
O=C(CNC12CC3CC(CC(C3)C1)C2)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:3:4:11:7.8.9,13:4:11:7.8.9,THB:13:8:5.4.12:11,9:8:5:12.10.11,9:10:5:7.13.8|
COCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:6:1:9:7.5.4,0:1:9:7.5.4,4:3:10:7.5.6,4:5:10:2.9.3,THB:6:5:10.1.2:9|
CCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
C[C@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
N[C@@H](C[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1)C(=O)N1CCCCC1
N[C@@H](C[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1)C(=O)N1CCCCC1
CC[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
CCC(C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
CC(C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(Cl)c(Cl)c1 |r|
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(Cl)cc1Cl |r|
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(I)cc1 |r|
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(F)cc1 |r|
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1cccc(F)c1 |r|
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccccc1Cl |r|
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1ccc(F)cc1 |r|
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1ccc(Cl)cc1Cl |r|
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(C)(CC(=O)Nc1ccccc1)NCC(=O)N1CCC[C@H]1C#N
COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)c(OC)c1OC
CC(C)(CC(=O)NCCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)NC(C)(C)Cc1ccccc1)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)NCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N
Cc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1C
COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC
CC(C)(CC(=O)NCCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N
Cc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1
C[C@@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)NCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)Nc1ccc(F)cc1)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)NCCc1ccccc1C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)NCCc1ccc(Cl)c(Cl)c1)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)Nc1ccc(cc1)-c1ccccc1)NCC(=O)N1CCC[C@H]1C#N
C[C@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)Nc1ccc(F)c(F)c1)NCC(=O)N1CCC[C@H]1C#N
COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC
COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1
CC(C)(CC(=O)NCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)NCCc1cccc(c1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)NCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N
N[C@H]1C[C@H](CCC1c1cc(F)c(F)cc1F)N1CCn2c(C1)ncc2C(F)(F)F |w:6.7|
N[C@H]1C[C@@H](CCC1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F |w:6.7|
N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2ccccc2C1
N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cncnc2C1
N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F
CC(C)(C)NCC(=O)N1CCC[C@H]1C(=O)c1nnc(o1)C1(C)CCCCC1
CC(C)(C)NCC(=O)N1CCC[C@H]1C(=O)c1nnc(o1)C(C)(C)C
Cc1nnc(o1)C(=O)[C@@H]1C[C@H](F)CN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
CC(C)(CO)NCC(=O)N1CCC[C@H]1C(=O)c1nnc(o1)C(C)(C)C
CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1noc(n1)C(C)(C)C
CC(C)(Cc1ccc(F)cc1)NCC(=O)N1CCC[C@H]1C(=O)c1ncon1
Cc1nc(no1)C(=O)[C@@H]1CCCN1C(=O)CNC(C)(C)CO
Cc1nnc(o1)C(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CC(C)(Cc1ccc(F)cc1)NCC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1nnc(o1)C(C)(C)C
Cc1nnc(o1)C(=O)[C@@H]1CC(F)(F)CN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Cc1nnc(o1)C(=O)[C@@H]1CSCN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CCC(C)(C)c1nnc(o1)C(=O)[C@@H]1C[C@H](F)CN1C(=O)CNC(C)(C)C
Cc1nnc(o1)C(=O)[C@@H]1CCCN1C(=O)CNC(C)(C)CO
CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1nnc(o1)C(C)(C)C
CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1noc(n1)C(C)(C)C
CC(C)(CO)NCC(=O)N1CCC[C@H]1C(=O)c1noc(n1)C(C)(C)C
Cc1nnc(o1)C(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 |TLB:27:17:25:20.21.22,THB:18:19:22:26.17.27,18:17:25.19.20:22,27:21:25:26.18.17,16:17:25:20.21.22|
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccccc1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2ccccc2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccncn1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(cn2n1)C(F)(F)F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2cccnc2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cccnc1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ccn1)C(F)(F)F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccn2cnnc2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2ccccc2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnccn1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2nccnc2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)C#N
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1nccc2ccccc12
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2ncnc(C3CC3)c2n1
Cc1nnc2ccc(nn12)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2cncnc2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nccnc2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(=O)ccn2n1
Cn1nc2ccc(nn2c1=O)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F
Cc1cc(=O)n2nc(ccc2n1)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F
Cn1c(nc2ccc(nc12)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F)C1CC1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nnc(n2n1)C(F)(F)F
CCc1nnc2ccc(nn12)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(nn2n1)C(F)(F)F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nncn2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccccn1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ncccn1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cccc(n1)C(F)(F)F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ncccc1C(F)(F)F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cccnn1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nnc(-c3ccc(F)cc3)n2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)C(F)(F)F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccncc1
Cc1nc2ccc(nc2c(=O)[nH]1)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F
NC(CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:1.0,14.16|
N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1CC1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2nc(nc2C1)C1CC1)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(cc1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
C[C@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2ncnc2C1)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cccn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1ccnc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2N(Cc3ccccc23)C(=O)[C@@H](N)CCCCN)cc1
CC[C@H](C)[C@H](N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2N(Cc3ccccc23)C(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2)cc1
CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCC(=O)OCC)C2CCCN2C(=O)C2CCCN2)cc1
NCC[C@H](N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
N[C@@H](CC(O)=O)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccccc1)Oc1ccccc1
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2)cc1
NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccccc1)Oc1ccccc1
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
CC(C)[C@H](N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)[C@@H](N)CCCCN)cc1
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)C2CCCN2)cc1
O=C([C@@H]1C[C@H](CN1)Nc1ccc2ccccc2c1)N1Cc2ccccc2C1 |r|
O=C([C@@H]1C[C@H](CN1)N(Cc1ccccc1)Cc1ccccc1)N1Cc2ccccc2C1 |r|
O=C([C@@H]1C[C@H](CN1)NCc1ccccc1)N1Cc2ccccc2C1 |r|
N[C@H]1CN[C@@H](C1)C(=O)N1Cc2ccccc2C1 |r|
O=C([C@@H]1C[C@@H](CN1)N(c1ccc2ccccc2c1)c1ccc2ccccc2c1)N1Cc2ccccc2C1 |r|
O=C([C@@H]1C[C@@H](CN1)Nc1ccc2ccccc2c1)N1Cc2ccccc2C1 |r|
O=C([C@@H]1C[C@@H](CN1)N(c1cccc2ccccc12)c1cccc2ccccc12)N1Cc2ccccc2C1 |r|
O=C([C@@H]1C[C@@H](CN1)Nc1cccc2ccccc12)N1Cc2ccccc2C1 |r|
O=C([C@@H]1C[C@@H](CN1)NCc1ccccc1)N1Cc2ccccc2C1 |r|
N[C@@H](CCCCN(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CCCCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CCCCNCc1ccccc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2C1 |r|
NCCCC[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)C(F)(F)F |r|
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccc(C)cc2C1 |r|
CC[C@@H](C)[C@H](N)C(=O)N1Cc2cccc(F)c2C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2cccnc2C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)N=[N+]=[N-] |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)[N+]([O-])=O |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(I)cc2C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(Br)cc2C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)C(F)(F)F |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(cc2C1)C(C)(C)C |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(C)cc2C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2cccc(C)c2C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2cccc(F)c2C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
CC(C)[C@H](N)C(=O)N1CCCC1 |r|
N[C@@H](CCCCN(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
N[C@@H](CCCCN(c1cccc2ccccc12)c1cccc2ccccc12)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H](C[C@H]1C#N)N=[N+]=[N-] |r|
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
NCCCC[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
CC[C@@H](C)[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
CC[C@H](C)[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCCc2ccccc12 |r|
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCSC1 |r|
NCCCC[C@H](N)C(=O)N1CCCc2ccccc12 |r|
NCCCC[C@H](N)C(=O)N1CCCC[C@H]1C#N |r|
NCCCC[C@H](N)C(=O)N1CCC[C@H]1C#N |r|
NCCCC[C@H](N)C(=O)N1CCC(C1)N=[N+]=[N-] |r|
NCCCC[C@H](N)C(=O)N1CCC(O)C1 |r|
NCCCC[C@H](N)C(=O)N1CCSC1 |r|
NCCCC[C@H](N)C(=O)N1CCCCC1 |r|
CC[C@H](C)[C@H](N)C(=O)NC1CCCC1 |r|
CC[C@H](C)[C@H](N)C(=O)N1CCC(Cl)C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1CCC(F)C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1CCC(C1)N=[N+]=[N-] |r|
CC[C@H](C)[C@H](N)C(=O)N1CCC(O)C1 |r|
CC[C@H](C)[C@H](N)C(=O)N1CCC=CC1 |r,c:11|
CC[C@H](C)[C@H](N)C(=O)N1CC=CC1 |r,c:10|
CC[C@H](C)[C@H](N)C(=O)N1CCCCCC1 |r|
CC[C@H](C)[C@H](N)C(=O)N1CCCCC1 |r|
CC[C@H](C)[C@H](N)C(=O)N1CCC1 |r|
CCCC[C@H](N)C(=O)N1CCCC1 |r|
N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1 |r|
NC(NC(=O)OCc1ccccc1)=NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1 |r,w:13.14|
[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |r|
N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
NCCC[C@H](N)C(=O)N1CCCC1 |r|
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
NCCCC[C@H](N)C(=O)N1CCCC1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1 |r|
N[C@@H](CO)C(=O)N1CCCC1 |r|
N[C@@H](CS)C(=O)N1CCCC1 |r|
C[C@@H](O)[C@H](N)C(=O)N1CCCC1 |r|
N[C@@H](CC(N)=O)C(=O)N1CCCC1 |r|
C1CCN(C1)C(=O)[C@H](CC(=O)O)N
N[C@@H](CCC(O)=O)C(=O)N1CCCC1 |r|
N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 |r|
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1 |r|
N[C@@H](CC1CCCCC1)C(=O)N1CCCC1 |r|
CC(C)C[C@H](N)C(=O)N1CCCC1 |r|
CC[C@@H](C)[C@H](N)C(=O)N1CCCC1 |r|
O=C([C@@H]1CCCN1)N1CCCC1 |r|
C[C@H](N)C(=O)N1CCCC1 |r|
NCC(=O)N1CCCC1
CC(C)[C@H](N)C(=O)N1CSC[C@H]1B(O)O |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1)C#N |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccc1C#N |r|
[O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C(F)(F)F |r|
[O-][N+](=O)c1ccc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(Cl)cn1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccn1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nc2ccccc2o1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1c(F)cccc1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccc1C#N |r|
NC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CCOC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C(F)(F)F)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(Cl)c1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1Cl)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)c(C#N)c(F)c1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(F)c1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1F)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nc2ccccc2s1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cnc2ccccc2n1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccs1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccn1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(c1)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(F)cc1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C#N)C(F)(F)F |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(F)c1C#N |r|
N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1cncc(c1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1F)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cc(F)cc(F)c1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccc(F)c(F)c1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(c1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(OC(F)(F)F)c1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccc(Cl)cc1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)NCC(=O)N1CCC[C@H]1C#N |r|
COc1ccc(cc1OC)[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccnc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(C)(CC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
COc1ccc(cc1)[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
COc1cccc(c1)[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CCOc1cccc(c1)[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(OC(F)(F)F)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
CC[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
N[C@@H](CC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
N[C@@H](CCCC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
N[C@@H](CCC(=O)N1Cc2ccccc2C1)C(=O)N1CCSC1 |r|
C[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1Cc2ccccc2C1)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1CCc2ccccc2C1)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
CC(C)(CC(=O)N1CCc2ccsc2C1)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
COC[C@@H]1CCCN1C(=O)CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
C[C@@H]1CCCN1C(=O)CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
N[C@@H](CCC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
COc1cc2CCN(C(C(C)C)c2cc1OC)C(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCc2ccsc2C1)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCn2cnnc2C1)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCn2c(C1)nnc2C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCn2nc(nc2C1)C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCn2cc(nc2C1)C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCCC1)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCSC1)C(=O)N1CCC[C@H]1C#N |r|
COC[C@H]1CCCN1C(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
COC[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C#N |r|
CCOC(=O)N1CCN(CC1)C(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCN(CC1)C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)N1CCN(CC1)c1ccncc1)C(=O)N1CCC[C@H]1C#N |r|
[NH3+][C@@H](CCC(=O)NC1CCCC1)C(=O)N1CCC[C@H]1C#N |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1noc2ccccc12 |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccccc2o1 |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccncc2o1 |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cnccc2o1 |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1cnccn1 |r|
FC(F)(F)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCC(F)(F)C1 |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccc1C#N |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cccnc2o1 |r|
O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1)N1CCCC1 |r|
F[C@@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
F[C@H]1CN(C[C@H]1F)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
FC1(F)CN(CC1(F)F)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
FC1CN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
Cc1cc2ncc(C(=O)N3CCC(CC3)[C@H](N)Cc3cc(F)c(F)cc3F)c(C)n2n1 |r|
N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1ccc(F)cc1F |r|
N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cc2ccccc2cn1 |r|
N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1nccnc1N |r|
Cc1ncc(C)c(n1)C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Cc1nccnc1C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cnc2ncccn12 |r|
CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3F)c1c2=O |r|
CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C(F)(F)F)c1c2=O |r|
CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3F)c1c2=O |r|
CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C(F)(F)F)c1c2=O |r|
CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O
CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c1c2=O |r|
CC#CCn1c(nc2nc3N(C)C(=O)Cn3c(=O)c12)N1CCC[C@@H](N)C1 |r|
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|
CS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1 |r|
CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1 |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1)Cc1cccc(Cl)c1 |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)c1ccccc1)Cc1ccccc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)c1ccccc1)Cc1cccc(Cl)c1 |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)C1CC1)Cc1cccc(Cl)c1 |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(cc21)C(F)(F)F |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1ncccc21 |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(Cl)cc21 |r|
Cc1cc2[n+]3C[C@H]([NH3+])[C@H](Cc3[nH]c2cn1)c1cc(F)c(F)cc1F |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(F)cc21 |r|
N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnccc21 |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1ccncc21 |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cccnc21 |r|
CC(=O)Nc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
CS(=O)(=O)Nc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
CN(C)C(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cc(ccc21)C(O)=O |r|
CS(=O)(=O)c1ccc2nc3C[C@@H]([C@@H]([NH3+])Cn3c2c1)c1cc(F)c(F)cc1F |r|
CCS(=O)(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
CS(=O)(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccc(cc21)C(F)(F)F |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cc(ccc21)C(F)(F)F |r|
Cc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccc(OC(F)(F)F)cc21 |r|
COc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1c(F)c(F)c(F)cc21 |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1c(F)cc(F)cc21 |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccc(F)cc21 |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cc(F)ccc21 |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1c(F)cccc21 |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccccc21 |r|
N[C@@H](CC(=O)N1CCC[C@H]1CN(C1CC1)S(=O)(=O)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)S(=O)(=O)C(F)(F)F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
CS(=O)(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(F)F |r|
CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(C)C |r|
CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C1CC1 |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F |r|
CC(F)(F)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(C)(F)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCCC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1COCC1CC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1COc1ccnc(n1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1COc1cc(ccn1)C#N)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1COc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNc1nccc(n1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncc(F)cn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(nc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(F)cn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccc1C#N)Cc1cc(F)c(F)cc1F |r|
CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)c1ccc(cn1)C#N |r|
N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1CC1)Cc1cc(F)c(F)cc1F |r|
CC(C)(C)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(CC2CC2)no1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCOCC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCCC1)Cc1cc(F)c(F)cc1F |r|
CS(=O)(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ccccn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1cnccn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncccn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncc(F)cc1F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1CC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(O)CC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|
CC(C)(F)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC1(COC1)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(C)(C)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
NN(CC(=O)N1CSC[C@H]1C#N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 |r|
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C |r|
CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r|
CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r,wU:8.9,2.1,wD:5.4,(39.99,-12.62,;40,-11.08,;38.67,-10.31,;37.33,-11.07,;36,-10.31,;36.01,-8.77,;37.33,-7.99,;38.67,-8.77,;34.67,-8,;34.67,-6.46,;33.34,-8.77,;32,-8.01,;32,-6.46,;30.66,-5.69,;30.66,-4.15,;29.34,-6.46,;29.33,-8.01,;30.67,-8.78,;30.67,-10.32,;41.33,-10.32,;40.55,-8.98,;42.09,-8.98,;42.66,-11.08,;42.65,-12.62,;43.98,-13.39,;45.31,-12.62,;46.65,-13.39,;47.98,-12.62,;49.31,-13.39,;47.98,-11.08,;49.3,-11.84,;45.31,-11.08,;43.98,-10.32,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C(N)=O |r,wU:8.9,2.1,wD:5.4,(-.09,-22.06,;-.09,-20.52,;-1.42,-19.75,;-2.76,-20.52,;-4.09,-19.75,;-4.08,-18.21,;-2.76,-17.43,;-1.42,-18.21,;-5.41,-17.44,;-5.42,-15.9,;-6.75,-18.22,;-8.08,-17.45,;-8.09,-15.9,;-9.42,-15.13,;-9.43,-13.59,;-10.75,-15.91,;-10.75,-17.45,;-9.42,-18.22,;-9.42,-19.76,;1.25,-19.76,;.47,-18.42,;2.01,-18.42,;2.57,-20.53,;2.57,-22.06,;3.89,-22.83,;5.23,-22.06,;5.22,-20.52,;3.89,-19.76,;6.55,-19.75,;7.89,-20.52,;6.55,-18.21,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)C(N)=O |r,wU:8.9,2.1,wD:5.4,(21.75,-22.38,;21.75,-20.84,;20.42,-20.07,;19.08,-20.84,;17.75,-20.07,;17.76,-18.53,;19.08,-17.75,;20.42,-18.53,;16.43,-17.76,;16.42,-16.22,;15.09,-18.54,;13.76,-17.77,;13.75,-16.22,;12.42,-15.45,;12.41,-13.91,;11.09,-16.22,;11.09,-17.77,;12.42,-18.54,;12.42,-20.08,;23.09,-20.08,;22.31,-18.74,;23.85,-18.74,;24.41,-20.84,;24.41,-22.38,;25.73,-23.15,;27.07,-22.38,;27.06,-20.84,;25.73,-20.08,;28.4,-23.15,;29.73,-22.38,;28.4,-24.69,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1F |r,wU:8.9,2.1,wD:5.4,(43.28,-22.27,;43.28,-20.73,;41.95,-19.95,;40.61,-20.72,;39.28,-19.95,;39.29,-18.42,;40.61,-17.64,;41.95,-18.41,;37.95,-17.65,;37.95,-16.11,;36.62,-18.42,;35.29,-17.65,;35.28,-16.1,;33.95,-15.34,;33.94,-13.8,;32.62,-16.11,;32.62,-17.65,;33.95,-18.42,;33.95,-19.96,;44.62,-19.96,;43.84,-18.62,;45.38,-18.62,;45.94,-20.73,;45.94,-22.26,;47.26,-23.03,;48.59,-22.27,;49.93,-23.04,;48.59,-20.72,;47.26,-19.96,;47.26,-18.42,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)-c1cnco1 |r,wU:8.9,2.1,wD:5.4,(.18,-28.73,;.18,-27.19,;-1.15,-26.42,;-2.49,-27.18,;-3.81,-26.41,;-3.81,-24.88,;-2.48,-24.1,;-1.15,-24.88,;-5.14,-24.11,;-5.14,-22.57,;-6.47,-24.88,;-7.81,-24.11,;-7.82,-22.56,;-9.15,-21.8,;-9.16,-20.26,;-10.48,-22.57,;-10.48,-24.12,;-9.15,-24.89,;-9.15,-26.43,;1.52,-26.42,;.42,-25.32,;2.28,-25.08,;2.85,-27.2,;2.84,-28.73,;4.17,-29.51,;5.51,-28.74,;5.5,-27.19,;4.17,-26.42,;6.84,-29.51,;7,-31.04,;8.51,-31.36,;9.28,-30.03,;8.25,-28.88,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)-c1csnn1 |r,wU:8.9,2.1,wD:5.4,(37.01,-20.6,;37.01,-19.06,;35.68,-18.29,;34.34,-19.05,;33.01,-18.29,;33.02,-16.75,;34.34,-15.97,;35.68,-16.75,;31.69,-15.98,;31.68,-14.44,;30.35,-16.75,;29.02,-15.99,;29.01,-14.44,;27.68,-13.67,;27.67,-12.13,;26.35,-14.44,;26.35,-15.99,;27.68,-16.76,;27.68,-18.3,;38.35,-18.3,;37.25,-17.2,;39.11,-16.96,;39.68,-19.07,;39.67,-20.61,;41,-21.38,;42.33,-20.61,;42.33,-19.06,;41,-18.3,;43.67,-21.38,;43.83,-22.91,;45.33,-23.23,;46.1,-21.9,;45.07,-20.75,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cn[nH]c1C |r,wU:8.9,2.1,wD:5.5,(.53,-31.97,;.53,-30.43,;-.8,-29.66,;-2.14,-30.43,;-3.46,-29.66,;-3.46,-28.12,;-2.13,-27.34,;-.8,-28.12,;-4.79,-27.35,;-4.79,-25.81,;-6.12,-28.13,;-7.46,-27.36,;-7.47,-25.81,;-8.8,-25.04,;-8.81,-23.5,;-10.13,-25.81,;-10.13,-27.36,;-8.8,-28.13,;-8.8,-29.67,;1.87,-29.67,;1.09,-28.33,;2.63,-28.33,;3.2,-30.43,;4.61,-29.81,;5.63,-30.95,;4.86,-32.28,;3.36,-31.96,;2.22,-32.99,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cn(C)cn1 |r,wU:8.9,2.1,wD:5.5,(17.5,-32.78,;17.5,-31.24,;16.17,-30.47,;14.84,-31.23,;13.51,-30.47,;13.51,-28.93,;14.84,-28.15,;16.17,-28.93,;12.18,-28.16,;12.18,-26.62,;10.85,-28.93,;9.51,-28.17,;9.51,-26.62,;8.17,-25.85,;8.17,-24.31,;6.84,-26.62,;6.84,-28.17,;8.17,-28.94,;8.17,-30.48,;18.84,-30.48,;18.06,-29.14,;19.6,-29.14,;20.17,-31.24,;20.34,-32.77,;21.84,-33.09,;22.46,-34.5,;22.6,-31.76,;21.58,-30.62,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cnoc1C |r,wU:8.9,2.1,wD:5.5,(34.53,-33.65,;34.53,-32.11,;33.2,-31.34,;31.86,-32.11,;30.53,-31.34,;30.54,-29.8,;31.86,-29.02,;33.2,-29.8,;29.2,-29.03,;29.2,-27.49,;27.87,-29.81,;26.54,-29.04,;26.53,-27.49,;25.2,-26.72,;25.19,-25.18,;23.87,-27.49,;23.87,-29.04,;25.2,-29.81,;25.2,-31.35,;35.87,-31.35,;35.09,-30.01,;36.63,-30.01,;37.19,-32.11,;38.6,-31.49,;39.63,-32.63,;38.86,-33.96,;37.36,-33.64,;36.22,-34.67,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1sc(NC(C)=O)nc1C |r,wU:8.9,2.1,wD:5.4,(51.57,-31.88,;51.57,-30.34,;50.24,-29.57,;48.9,-30.33,;47.57,-29.56,;47.58,-28.03,;48.9,-27.25,;50.24,-28.03,;46.25,-27.26,;46.24,-25.72,;44.91,-28.03,;43.58,-27.26,;43.57,-25.71,;42.24,-24.95,;42.23,-23.41,;40.91,-25.72,;40.91,-27.27,;42.24,-28.04,;42.24,-29.58,;52.91,-29.57,;52.13,-28.23,;53.67,-28.23,;54.23,-30.34,;54.4,-31.87,;55.9,-32.19,;56.53,-33.59,;55.62,-34.84,;54.09,-34.68,;56.25,-36.25,;56.67,-30.86,;55.64,-29.72,;55.97,-28.21,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccnc1 |r,wU:8.9,2.1,wD:5.5,(.5,-42.99,;.5,-41.45,;-.83,-40.68,;-2.17,-41.45,;-3.49,-40.68,;-3.49,-39.14,;-2.16,-38.36,;-.83,-39.14,;-4.82,-38.37,;-4.83,-36.83,;-6.16,-39.15,;-7.49,-38.38,;-7.5,-36.83,;-8.83,-36.06,;-8.84,-34.52,;-10.16,-36.84,;-10.16,-38.38,;-8.83,-39.15,;-8.83,-40.69,;1.84,-40.69,;1.06,-39.35,;2.6,-39.35,;3.17,-41.46,;4.49,-40.69,;5.81,-41.45,;5.82,-42.99,;4.49,-43.76,;3.16,-42.99,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.4,(1.4,-50.59,;1.4,-49.05,;.07,-48.27,;-1.26,-49.04,;-2.59,-48.27,;-2.59,-46.73,;-1.26,-45.95,;.07,-46.73,;-3.92,-45.97,;-3.92,-44.43,;-5.25,-46.74,;-6.59,-45.97,;-6.59,-44.42,;-7.93,-43.66,;-7.93,-42.12,;-9.26,-44.43,;-9.26,-45.97,;-7.93,-46.74,;-7.93,-48.28,;2.74,-48.28,;1.96,-46.94,;3.5,-46.94,;4.07,-49.05,;5.48,-48.42,;5.8,-46.92,;6.5,-49.56,;5.74,-50.89,;4.24,-50.57,;3.09,-51.6,)|
CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1c(C)noc1C |r,wU:9.10,3.2,wD:6.5,(16.93,-43.94,;18.26,-43.17,;18.27,-41.63,;16.93,-40.86,;15.6,-41.63,;14.27,-40.86,;14.28,-39.32,;15.6,-38.54,;16.94,-39.32,;12.94,-38.55,;12.94,-37.01,;11.61,-39.33,;10.27,-38.56,;10.27,-37.01,;8.93,-36.24,;8.93,-34.7,;7.6,-37.01,;7.6,-38.56,;8.94,-39.33,;8.94,-40.87,;19.6,-40.87,;18.82,-39.53,;20.36,-39.53,;20.93,-41.63,;22.34,-41.01,;22.66,-39.51,;23.37,-42.15,;22.6,-43.48,;21.1,-43.16,;19.95,-44.19,)|
Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:18.19,24.27,wD:21.22,(43.17,-42.6,;42.85,-44.11,;43.88,-45.25,;43.11,-46.58,;41.61,-46.25,;40.46,-47.29,;41.44,-44.73,;40.11,-43.96,;39.33,-42.62,;40.87,-42.62,;38.78,-44.73,;38.77,-46.27,;37.44,-47.04,;36.11,-46.26,;34.78,-47.02,;34.77,-48.56,;36.11,-49.34,;37.44,-48.57,;37.44,-43.96,;36.11,-44.72,;34.78,-43.95,;34.79,-42.42,;36.11,-41.64,;37.45,-42.41,;33.45,-41.65,;33.45,-40.11,;32.12,-42.42,;30.78,-41.65,;30.78,-40.1,;29.44,-39.34,;29.44,-37.8,;28.11,-40.11,;28.11,-41.65,;29.45,-42.43,;29.45,-43.97,)|
Cc1noc(C)c1S(=O)(=O)N(CCCC(F)(F)F)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:18.18,24.26,wD:21.21,(59.62,-41.5,;59.29,-43,;60.32,-44.14,;59.55,-45.47,;58.05,-45.15,;56.91,-46.18,;57.88,-43.63,;56.55,-42.86,;55.77,-41.52,;57.31,-41.52,;55.22,-43.62,;55.22,-45.16,;53.88,-45.93,;53.88,-47.47,;52.54,-48.24,;52.54,-49.78,;51.21,-47.47,;51.2,-49,;53.89,-42.85,;52.55,-43.62,;51.22,-42.85,;51.23,-41.31,;52.55,-40.53,;53.89,-41.31,;49.89,-40.54,;49.89,-39,;48.56,-41.32,;47.23,-40.55,;47.22,-39,;45.89,-38.23,;45.88,-36.69,;44.56,-39.01,;44.55,-40.55,;45.89,-41.32,;45.89,-42.86,)|
CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(C)(=O)=O |r,wU:9.10,3.2,wD:6.6,(-1.29,-2.34,;.05,-1.58,;.05,-.04,;-1.28,.74,;-2.62,-.03,;-3.95,.74,;-3.94,2.27,;-2.62,3.05,;-1.28,2.28,;-5.27,3.04,;-5.28,4.58,;-6.61,2.27,;-7.94,3.04,;-7.95,4.59,;-9.28,5.35,;-9.29,6.89,;-10.61,4.58,;-10.61,3.04,;-9.28,2.27,;-9.28,.73,;1.39,.73,;2.71,-.04,;.61,2.07,;2.15,2.07,)|
CS(=O)(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:18.20,12.12,wD:15.15,(17.28,.05,;15.95,.81,;15.17,2.15,;16.71,2.15,;14.62,.05,;14.62,-1.49,;13.28,-2.26,;11.95,-1.48,;10.62,-2.25,;10.62,-3.79,;11.96,-4.56,;13.29,-3.79,;13.29,.82,;11.95,.06,;10.62,.82,;10.63,2.36,;11.95,3.14,;13.29,2.36,;9.29,3.13,;9.29,4.67,;7.96,2.36,;6.63,3.12,;6.62,4.67,;5.29,5.44,;5.28,6.98,;3.96,4.67,;3.95,3.12,;5.29,2.35,;5.29,.81,)|
CS(=O)(=O)N(CCCC(F)(F)F)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:18.19,12.11,wD:15.14,(31.86,.28,;30.53,1.05,;29.75,2.39,;31.29,2.39,;29.19,.28,;29.19,-1.26,;30.52,-2.03,;30.52,-3.57,;31.85,-4.34,;31.85,-5.88,;33.19,-3.58,;33.18,-5.11,;27.86,1.05,;26.53,.29,;25.2,1.06,;25.2,2.59,;26.53,3.37,;27.86,2.6,;23.87,3.36,;23.87,4.9,;22.54,2.59,;21.2,3.36,;21.2,4.91,;19.86,5.67,;19.86,7.21,;18.53,4.9,;18.53,3.36,;19.86,2.58,;19.86,1.04,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(C)=O |r,wU:8.9,2.1,wD:5.4,(44.08,-2.89,;44.08,-1.35,;42.75,-.58,;41.41,-1.34,;40.08,-.58,;40.09,.96,;41.41,1.74,;42.75,.96,;38.76,1.73,;38.75,3.27,;37.42,.96,;36.09,1.72,;36.08,3.27,;34.75,4.04,;34.74,5.58,;33.42,3.27,;33.42,1.72,;34.75,.95,;34.75,-.59,;45.42,-.59,;46.75,-1.36,;45.42,.95,)|
CN([C@@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(C)=O |r,wU:8.9,wD:5.4,2.1,(48.85,-2.14,;48.85,-.6,;47.52,.18,;46.18,-.59,;44.85,.18,;44.86,1.71,;46.18,2.49,;47.52,1.72,;43.52,2.48,;43.52,4.02,;42.19,1.71,;40.86,2.48,;40.85,4.03,;39.52,4.79,;39.51,6.33,;38.19,4.02,;38.18,2.48,;39.52,1.71,;39.52,.17,;50.18,.17,;51.52,-.6,;50.19,1.71,)|
CC(C)C(=O)N(C)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:13.14,7.6,wD:10.10,(2.91,-12.9,;2.91,-11.36,;4.25,-10.59,;1.58,-10.59,;1.58,-9.05,;.25,-11.35,;.24,-12.89,;-1.09,-10.58,;-2.42,-11.35,;-3.75,-10.58,;-3.75,-9.04,;-2.42,-8.26,;-1.08,-9.04,;-5.08,-8.27,;-5.08,-6.73,;-6.41,-9.05,;-7.75,-8.28,;-7.75,-6.73,;-9.09,-5.96,;-9.09,-4.42,;-10.42,-6.74,;-10.42,-8.28,;-9.08,-9.05,;-9.09,-10.59,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)C(C)(C)C |r,wU:8.9,2.1,wD:5.5,(17.52,-13.31,;17.52,-11.77,;16.19,-10.99,;14.85,-11.76,;13.52,-10.99,;13.53,-9.46,;14.85,-8.68,;16.19,-9.45,;12.19,-8.69,;12.19,-7.15,;10.86,-9.46,;9.53,-8.69,;9.52,-7.14,;8.19,-6.38,;8.18,-4.84,;6.86,-7.15,;6.86,-8.69,;8.19,-9.46,;8.19,-11,;18.86,-11,;18.86,-9.46,;20.19,-11.77,;20.18,-13.31,;21.52,-11.01,;21.51,-12.54,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)CCN |r,wU:8.9,2.1,wD:5.5,(34.63,-13.84,;34.63,-12.3,;33.3,-11.53,;31.96,-12.3,;30.63,-11.53,;30.64,-9.99,;31.96,-9.21,;33.3,-9.99,;29.31,-9.22,;29.3,-7.68,;27.97,-10,;26.64,-9.23,;26.63,-7.68,;25.3,-6.91,;25.29,-5.37,;23.97,-7.68,;23.97,-9.23,;25.3,-10,;25.3,-11.54,;35.97,-11.54,;35.97,-10,;37.3,-12.31,;38.63,-11.54,;39.97,-12.31,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)CCC(O)=O |r,wU:8.9,2.1,wD:5.5,(52.14,-13.08,;52.14,-11.54,;50.81,-10.77,;49.47,-11.53,;48.14,-10.77,;48.15,-9.23,;49.47,-8.45,;50.81,-9.23,;46.81,-8.46,;46.81,-6.92,;45.48,-9.23,;44.15,-8.47,;44.14,-6.92,;42.81,-6.15,;42.8,-4.61,;41.48,-6.92,;41.47,-8.47,;42.81,-9.24,;42.81,-10.78,;53.47,-10.77,;53.48,-9.23,;54.81,-11.55,;56.14,-10.78,;57.47,-11.55,;57.47,-13.09,;58.81,-10.79,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1cccnc1 |r,wU:8.9,2.1,wD:5.5,(.25,-21.74,;.25,-20.2,;-1.08,-19.42,;-2.42,-20.19,;-3.74,-19.42,;-3.74,-17.89,;-2.41,-17.11,;-1.08,-17.88,;-5.07,-17.12,;-5.07,-15.58,;-6.4,-17.89,;-7.74,-17.12,;-7.75,-15.57,;-9.08,-14.81,;-9.09,-13.27,;-10.41,-15.58,;-10.41,-17.12,;-9.08,-17.89,;-9.08,-19.43,;1.59,-19.43,;1.59,-17.89,;2.92,-20.2,;4.24,-19.43,;5.57,-20.2,;5.58,-21.75,;4.24,-22.51,;2.91,-21.74,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1csnn1 |r,wU:8.9,2.1,wD:5.5,(17.41,-23.01,;17.41,-21.47,;16.08,-20.69,;14.74,-21.46,;13.41,-20.69,;13.42,-19.15,;14.74,-18.37,;16.08,-19.15,;12.09,-18.39,;12.08,-16.85,;10.75,-19.16,;9.42,-18.39,;9.41,-16.84,;8.08,-16.08,;8.07,-14.54,;6.75,-16.85,;6.75,-18.39,;8.08,-19.16,;8.08,-20.7,;18.75,-20.7,;18.75,-19.16,;20.08,-21.47,;20.24,-23,;21.75,-23.32,;22.52,-21.99,;21.49,-20.84,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1 |r,wU:8.9,2.1,wD:5.5,(34.24,-23.67,;34.24,-22.13,;32.91,-21.35,;31.57,-22.12,;30.25,-21.35,;30.25,-19.82,;31.58,-19.04,;32.91,-19.81,;28.92,-19.05,;28.91,-17.51,;27.58,-19.82,;26.25,-19.05,;26.24,-17.5,;24.91,-16.74,;24.9,-15.2,;23.58,-17.51,;23.58,-19.05,;24.91,-19.82,;24.91,-21.36,;35.58,-21.36,;35.58,-19.82,;36.91,-22.13,;37.07,-23.66,;38.58,-23.98,;39.35,-22.65,;38.32,-21.5,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1c[nH]c2ccccc12 |r,wU:8.9,2.1,wD:5.4,(52.49,-23.15,;52.49,-21.61,;51.16,-20.83,;49.82,-21.6,;48.49,-20.83,;48.5,-19.29,;49.82,-18.51,;51.16,-19.29,;47.16,-18.53,;47.16,-16.99,;45.83,-19.3,;44.5,-18.53,;44.49,-16.98,;43.16,-16.22,;43.15,-14.68,;41.83,-16.99,;41.82,-18.53,;43.16,-19.3,;43.16,-20.84,;53.82,-20.84,;53.83,-19.3,;55.16,-21.61,;55.32,-23.14,;56.82,-23.46,;57.59,-22.13,;59.09,-21.82,;59.57,-20.36,;58.54,-19.22,;57.05,-19.53,;56.57,-20.98,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.5,(.68,-31.13,;.68,-29.59,;-.65,-28.81,;-1.99,-29.58,;-3.32,-28.81,;-3.31,-27.27,;-1.99,-26.49,;-.65,-27.27,;-4.64,-26.51,;-4.65,-24.97,;-5.98,-27.28,;-7.31,-26.51,;-7.32,-24.96,;-8.65,-24.2,;-8.66,-22.66,;-9.98,-24.97,;-9.98,-26.51,;-8.65,-27.28,;-8.65,-28.82,;2.02,-28.82,;2.02,-27.28,;3.35,-29.59,;4.76,-28.96,;5.08,-27.46,;5.79,-30.11,;5.02,-31.44,;3.51,-31.12,;2.37,-32.15,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccn(C)n1 |r,wU:8.9,2.1,wD:5.5,(50.48,-32.21,;50.48,-30.67,;49.15,-29.9,;47.81,-30.67,;46.49,-29.9,;46.49,-28.36,;47.82,-27.58,;49.15,-28.36,;45.16,-27.59,;45.15,-26.05,;43.82,-28.37,;42.49,-27.6,;42.48,-26.05,;41.15,-25.28,;41.14,-23.74,;39.82,-26.06,;39.82,-27.6,;41.15,-28.37,;41.15,-29.91,;51.82,-29.91,;51.82,-28.37,;53.15,-30.68,;53.31,-32.21,;54.82,-32.53,;55.59,-31.2,;57.12,-31.04,;54.56,-30.05,)|
CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(C)=O |r,wU:9.10,3.2,wD:6.6,(35.87,-35.57,;37.21,-34.8,;37.21,-33.26,;35.88,-32.49,;34.54,-33.26,;33.22,-32.49,;33.22,-30.95,;34.55,-30.17,;35.88,-30.95,;31.89,-30.18,;31.89,-28.64,;30.56,-30.96,;29.22,-30.19,;29.21,-28.64,;27.88,-27.87,;27.87,-26.33,;26.55,-28.65,;26.55,-30.19,;27.88,-30.96,;27.88,-32.5,;38.55,-32.5,;39.88,-33.27,;38.55,-30.96,)|
CC(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.19,11.11,wD:14.15,(24.49,-30.59,;23.16,-29.81,;23.16,-28.27,;21.82,-30.58,;21.82,-32.12,;20.48,-32.89,;19.16,-32.11,;17.82,-32.87,;17.82,-34.42,;19.16,-35.19,;20.49,-34.42,;20.49,-29.81,;19.15,-30.57,;17.82,-29.81,;17.83,-28.27,;19.15,-27.49,;20.49,-28.27,;16.5,-27.5,;16.49,-25.96,;15.16,-28.27,;13.83,-27.51,;13.82,-25.96,;12.49,-25.19,;12.48,-23.65,;11.16,-25.96,;11.16,-27.51,;12.49,-28.28,;12.49,-29.82,)|
CC(=O)N(CCCC(F)(F)F)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.18,11.10,wD:14.14,(2.61,-39.48,;1.28,-38.71,;1.28,-37.17,;-.06,-39.48,;-.06,-41.02,;-1.4,-41.79,;-1.4,-43.33,;-2.74,-44.09,;-2.74,-45.63,;-4.07,-43.32,;-3.83,-45.18,;-1.39,-38.71,;-2.73,-39.47,;-4.05,-38.7,;-4.05,-37.17,;-2.72,-36.39,;-1.39,-37.16,;-5.38,-36.4,;-5.39,-34.86,;-6.72,-37.17,;-8.05,-36.4,;-8.06,-34.85,;-9.39,-34.09,;-9.4,-32.55,;-10.72,-34.86,;-10.72,-36.4,;-9.39,-37.18,;-9.39,-38.72,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](CC1)N1CCC(F)(F)C1 |r,wU:1.0,wD:11.17,14.18,(7.57,-45.26,;7.57,-46.8,;6.24,-47.57,;4.91,-46.8,;4.9,-45.25,;3.57,-44.49,;3.56,-42.95,;2.24,-45.26,;2.24,-46.8,;3.57,-47.57,;3.57,-49.11,;8.91,-47.57,;8.9,-49.1,;10.23,-49.87,;11.57,-49.1,;11.57,-47.56,;10.23,-46.79,;12.9,-49.88,;14.31,-49.25,;15.34,-50.4,;14.57,-51.73,;14.56,-53.26,;16.05,-52.12,;13.06,-51.4,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC(F)(F)C1 |r,wU:1.0,14.18,wD:11.17,(10.19,-36.27,;10.19,-37.81,;8.86,-38.58,;7.52,-37.81,;7.51,-36.26,;6.18,-35.5,;6.17,-33.96,;4.85,-36.27,;4.85,-37.81,;6.18,-38.58,;6.18,-40.12,;11.52,-38.58,;11.52,-40.11,;12.84,-40.88,;14.18,-40.11,;14.18,-38.57,;12.85,-37.8,;15.51,-40.89,;16.93,-40.26,;17.96,-41.4,;17.18,-42.74,;17.17,-44.27,;18.67,-43.13,;15.68,-42.41,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](CC1)N1CCn2c(C1)nnc2C(F)(F)F |r,wU:1.0,wD:14.18,11.12,(47.67,-40.49,;47.68,-42.03,;46.34,-42.8,;45.01,-42.03,;45,-40.48,;43.67,-39.72,;43.66,-38.18,;42.34,-40.49,;42.34,-42.04,;43.67,-42.81,;43.67,-44.35,;49.01,-42.8,;49.01,-44.33,;50.33,-45.1,;51.67,-44.34,;51.67,-42.8,;50.34,-42.02,;53,-45.11,;52.99,-46.64,;54.31,-47.42,;55.66,-46.65,;55.66,-45.11,;54.33,-44.33,;57.12,-44.64,;58.03,-45.88,;57.12,-47.13,;57.6,-48.59,;56.57,-49.74,;59.1,-48.91,;57.99,-50.07,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCn2c(C1)nnc2C(F)(F)F |r,wU:1.0,14.18,wD:11.12,(29.74,-39.82,;29.74,-41.36,;28.41,-42.13,;27.07,-41.37,;27.07,-39.82,;25.73,-39.05,;25.73,-37.51,;24.4,-39.82,;24.4,-41.37,;25.74,-42.14,;25.74,-43.68,;31.08,-42.13,;31.07,-43.67,;32.4,-44.43,;33.73,-43.67,;33.74,-42.13,;32.4,-41.35,;35.07,-44.44,;35.05,-45.98,;36.38,-46.75,;37.72,-45.98,;37.73,-44.45,;36.39,-43.66,;39.19,-43.97,;40.09,-45.22,;39.19,-46.46,;39.66,-47.92,;38.63,-49.07,;41.17,-48.24,;40.06,-49.4,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](CC1)N1CCCCC1 |r,wU:1.0,wD:11.17,14.18,(-5.2,4.68,;-5.2,3.14,;-6.53,2.36,;-7.86,3.13,;-7.87,4.68,;-9.2,5.45,;-9.21,6.99,;-10.53,4.67,;-10.54,3.13,;-9.2,2.36,;-9.2,.82,;-3.86,2.37,;-3.87,.83,;-2.54,.06,;-1.2,.83,;-1.2,2.37,;-2.54,3.15,;.13,.06,;.12,-1.48,;1.44,-2.25,;2.79,-1.49,;2.79,.05,;1.46,.83,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCCCC1 |r,wU:1.0,14.18,wD:11.17,(10.08,4.56,;10.08,3.02,;8.75,2.25,;7.41,3.01,;7.41,4.56,;6.07,5.33,;6.07,6.87,;4.74,4.56,;4.74,3.01,;6.07,2.24,;6.07,.7,;11.41,2.25,;11.41,.71,;12.74,-.05,;14.07,.71,;14.07,2.25,;12.74,3.03,;15.4,-.06,;15.39,-1.6,;16.72,-2.37,;18.06,-1.6,;18.06,-.07,;16.73,.72,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@H](CC1)N1CCCC(C1)C(N)=O |r,wU:1.0,wD:11.17,14.18,(24.54,4.65,;24.55,3.11,;23.21,2.34,;21.88,3.11,;21.87,4.66,;20.54,5.42,;20.53,6.96,;19.21,4.65,;19.21,3.11,;20.54,2.34,;20.54,.8,;25.88,2.34,;25.87,.81,;27.2,.04,;28.54,.81,;28.54,2.35,;27.2,3.12,;29.87,.03,;31.2,.81,;32.53,.03,;32.53,-1.51,;31.18,-2.28,;29.86,-1.5,;31.17,-3.81,;32.5,-4.59,;29.84,-4.58,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCCC(C1)C(N)=O |r,wU:1.0,14.18,wD:11.17,(39.76,4.71,;39.77,3.17,;38.43,2.4,;37.1,3.17,;37.09,4.72,;35.76,5.48,;35.75,7.02,;34.43,4.71,;34.43,3.17,;35.76,2.4,;35.76,.86,;41.1,2.41,;41.1,.87,;42.42,.1,;43.76,.87,;43.76,2.41,;42.43,3.19,;45.09,.09,;46.42,.87,;47.75,.09,;47.75,-1.45,;46.4,-2.21,;45.08,-1.44,;46.4,-3.75,;47.73,-4.53,;45.06,-4.52,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@@H](C1)C(N)=O |r,wU:1.0,14.18,wD:11.17,21.25,(-5.48,-4.14,;-5.48,-5.68,;-6.81,-6.45,;-8.14,-5.68,;-8.15,-4.13,;-9.48,-3.37,;-9.49,-1.83,;-10.81,-4.14,;-10.82,-5.68,;-9.48,-6.45,;-9.48,-7.99,;-4.14,-6.45,;-4.15,-7.98,;-2.82,-8.75,;-1.48,-7.98,;-1.48,-6.44,;-2.82,-5.67,;-.15,-8.76,;1.18,-7.98,;2.51,-8.76,;2.51,-10.3,;1.16,-11.06,;-.16,-10.29,;1.15,-12.6,;2.48,-13.38,;-.19,-13.37,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@H](C1)C(N)=O |r,wU:1.0,14.18,21.25,wD:11.17,(9.64,-4.77,;9.64,-6.31,;8.31,-7.09,;6.98,-6.32,;6.97,-4.77,;5.64,-4,;5.63,-2.46,;4.31,-4.78,;4.3,-6.32,;5.64,-7.09,;5.64,-8.63,;10.98,-7.08,;10.97,-8.62,;12.3,-9.39,;13.64,-8.62,;13.64,-7.08,;12.3,-6.3,;14.97,-9.39,;16.3,-8.62,;17.63,-9.4,;17.63,-10.94,;16.28,-11.7,;14.96,-10.93,;16.27,-13.24,;17.6,-14.02,;14.93,-14,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@H](C1)OC(N)=O |r,wU:1.0,14.18,21.25,wD:11.17,(24.9,-6.17,;24.9,-7.71,;23.57,-8.49,;22.24,-7.72,;22.23,-6.17,;20.9,-5.4,;20.89,-3.86,;19.57,-6.18,;19.56,-7.72,;20.9,-8.49,;20.9,-10.03,;26.24,-8.48,;26.23,-10.02,;27.56,-10.79,;28.9,-10.02,;28.9,-8.48,;27.56,-7.7,;30.23,-10.79,;31.56,-10.02,;32.89,-10.8,;32.89,-12.34,;31.54,-13.1,;30.22,-12.33,;31.53,-14.64,;30.19,-15.4,;28.87,-14.63,;30.19,-16.94,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@@H](O)C1 |r,wU:1.0,14.18,21.23,wD:11.17,(41.86,-7.7,;41.86,-9.24,;40.53,-10.01,;39.19,-9.24,;39.19,-7.69,;37.85,-6.93,;37.85,-5.39,;36.52,-7.7,;36.52,-9.24,;37.85,-10.02,;37.85,-11.56,;43.19,-10.01,;43.19,-11.54,;44.52,-12.31,;45.85,-11.55,;45.85,-10,;44.52,-9.23,;47.18,-12.32,;48.51,-11.54,;49.84,-12.32,;49.84,-13.86,;48.5,-14.63,;48.49,-16.17,;47.17,-13.85,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)NCCCC(F)(F)F |r,wU:14.18,1.0,wD:11.12,(10.38,-8.06,;10.38,-9.6,;9.05,-10.38,;7.71,-9.61,;7.71,-8.06,;6.37,-7.3,;6.37,-5.76,;5.05,-8.07,;5.04,-9.61,;6.38,-10.38,;6.38,-11.92,;11.72,-10.37,;11.71,-11.91,;13.04,-12.68,;14.38,-11.91,;14.38,-10.37,;13.04,-9.59,;15.71,-12.68,;15.7,-14.22,;17.02,-14.99,;17.01,-16.53,;18.34,-17.31,;18.34,-18.85,;19.68,-16.54,;19.67,-18.08,)|
CN(Cc1ccc(cc1)C#N)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.19,11.11,wD:14.14,(5.73,-15.95,;5.74,-14.42,;7.08,-13.66,;8.41,-14.43,;8.39,-15.97,;9.72,-16.75,;11.06,-15.98,;11.07,-14.43,;9.74,-13.67,;12.39,-16.75,;13.72,-17.53,;4.41,-13.65,;3.08,-14.41,;1.75,-13.64,;1.75,-12.11,;3.08,-11.33,;4.41,-12.1,;.42,-11.34,;.42,-9.8,;-.91,-12.11,;-2.25,-11.34,;-2.25,-9.79,;-3.59,-9.03,;-3.59,-7.49,;-4.92,-9.8,;-4.92,-11.34,;-3.59,-12.12,;-3.59,-13.66,)|
CN(Cc1cccc(c1)C#N)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.19,11.11,wD:14.14,(12.51,-10.37,;12.52,-8.83,;13.86,-8.07,;15.19,-8.85,;16.51,-8.08,;17.84,-8.85,;17.84,-10.4,;16.5,-11.16,;15.17,-10.39,;16.49,-12.7,;16.48,-14.24,;11.19,-8.06,;9.85,-8.83,;8.52,-8.06,;8.53,-6.52,;9.85,-5.74,;11.19,-6.52,;7.19,-5.75,;7.19,-4.21,;5.86,-6.53,;4.53,-5.76,;4.52,-4.21,;3.19,-3.44,;3.18,-1.9,;1.86,-4.22,;1.85,-5.76,;3.19,-6.53,;3.19,-8.07,)|
CCN(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:16.18,10.10,wD:13.13,(14.43,-8.02,;15.77,-7.26,;15.79,-5.72,;17.12,-4.96,;18.45,-5.74,;18.44,-7.27,;19.76,-8.05,;21.1,-7.29,;21.11,-5.74,;19.78,-4.97,;14.45,-4.95,;13.12,-5.72,;11.79,-4.95,;11.79,-3.41,;13.12,-2.63,;14.46,-3.41,;10.46,-2.64,;10.46,-1.1,;9.13,-3.42,;7.79,-2.65,;7.79,-1.1,;6.45,-.33,;6.45,1.21,;5.12,-1.1,;5.12,-2.65,;6.46,-3.42,;6.45,-4.96,)|
N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N(CCCC(F)(F)F)Cc1ccccc1 |r,wU:1.0,14.18,wD:11.12,(4.17,-2.53,;4.17,-4.07,;2.84,-4.85,;1.5,-4.08,;1.49,-2.53,;.16,-1.76,;.15,-.22,;-1.17,-2.54,;-1.17,-4.08,;.16,-4.85,;.16,-6.39,;5.5,-4.84,;5.5,-6.38,;6.82,-7.15,;8.16,-6.38,;8.16,-4.84,;6.83,-4.06,;9.49,-7.15,;10.83,-6.39,;12.16,-7.17,;12.15,-8.71,;13.48,-9.48,;13.48,-11.02,;14.82,-8.72,;14.81,-10.25,;9.48,-8.69,;8.14,-9.45,;6.82,-8.67,;5.48,-9.43,;5.47,-10.97,;6.8,-11.75,;8.14,-10.98,)|
CC(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
CS(=O)(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ccccn1 |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1 |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ccncc1 |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N |r|
Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1 |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ccc(F)nc1 |r|
CCOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ncccn1 |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncnc1 |r|
COc1ncc(cn1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cnc(=O)[nH]c1 |r|
COC(=O)C1CCCC(C1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O |r|
N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(N)=O |r|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1 |r,wU:1.0,5.8,wD:2.1,(35.26,-24.16,;35.27,-25.7,;36.6,-26.47,;36.6,-28.01,;37.93,-28.77,;39.26,-28.01,;39.26,-26.47,;37.93,-25.69,;40.59,-28.78,;41.93,-28.01,;41.93,-26.47,;43.26,-28.78,;43.25,-30.32,;44.58,-31.09,;45.92,-30.32,;47.25,-31.09,;47.25,-32.63,;48.59,-33.4,;45.92,-33.4,;47.24,-34.17,;45.92,-28.78,;44.59,-28.01,;33.93,-26.48,;33.94,-28.02,;32.6,-25.71,;31.19,-26.33,;30.16,-25.19,;30.92,-23.86,;32.43,-24.17,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccccc1 |r,wU:8.9,2.1,wD:5.5,(17.38,-2.57,;17.38,-1.03,;16.05,-.25,;14.71,-1.02,;13.38,-.25,;13.39,1.29,;14.71,2.07,;16.05,1.29,;12.05,2.05,;12.05,3.59,;10.72,1.28,;9.39,2.05,;9.38,3.6,;8.05,4.36,;8.04,5.9,;6.72,3.59,;6.72,2.05,;8.05,1.28,;8.05,-.26,;18.72,-.26,;17.94,1.08,;19.48,1.08,;20.04,-1.03,;20.04,-2.56,;21.36,-3.33,;22.69,-2.57,;22.69,-1.02,;21.36,-.26,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccccc1C(F)(F)F |r,wU:8.9,2.1,wD:5.4,(33.93,-2.3,;33.93,-.76,;32.6,.01,;31.26,-.75,;29.93,.01,;29.94,1.55,;31.26,2.33,;32.6,1.55,;28.61,2.32,;28.6,3.86,;27.27,1.55,;25.94,2.31,;25.93,3.86,;24.6,4.63,;24.59,6.17,;23.27,3.86,;23.27,2.31,;24.6,1.54,;24.6,0,;35.27,.01,;34.49,1.35,;36.03,1.35,;36.59,-.76,;36.59,-2.3,;37.91,-3.07,;39.25,-2.3,;39.24,-.76,;37.91,0,;37.91,1.54,;39.24,2.32,;36.58,2.31,;37.9,3.09,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C#N |r,wU:8.9,2.1,wD:5.4,(52,-2.08,;52.01,-.54,;50.67,.23,;49.34,-.54,;48.01,.23,;48.02,1.77,;49.34,2.55,;50.68,1.77,;46.68,2.54,;46.68,4.08,;45.35,1.76,;44.01,2.53,;44.01,4.08,;42.67,4.85,;42.67,6.39,;41.34,4.08,;41.34,2.53,;42.68,1.76,;42.68,.22,;53.34,.22,;52.56,1.56,;54.1,1.56,;54.67,-.54,;54.66,-2.08,;55.99,-2.85,;57.32,-2.08,;57.32,-.54,;55.99,.22,;58.64,.23,;59.98,1,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)C#N |r,wU:8.9,2.1,wD:5.4,(.58,-11.88,;.58,-10.34,;-.75,-9.56,;-2.09,-10.33,;-3.42,-9.56,;-3.41,-8.02,;-2.09,-7.24,;-.75,-8.02,;-4.75,-7.26,;-4.75,-5.72,;-6.08,-8.03,;-7.41,-7.26,;-7.42,-5.71,;-8.75,-4.95,;-8.76,-3.41,;-10.08,-5.72,;-10.08,-7.26,;-8.75,-8.03,;-8.75,-9.57,;1.92,-9.57,;1.14,-8.23,;2.68,-8.23,;3.24,-10.34,;3.24,-11.87,;4.56,-12.64,;5.89,-11.88,;5.89,-10.33,;4.56,-9.57,;7.23,-12.64,;8.56,-13.41,)|
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(N)cc1 |r,wU:8.9,2.1,wD:5.4,(20.29,-13.03,;20.29,-11.49,;18.96,-10.71,;17.62,-11.48,;16.29,-10.71,;16.3,-9.18,;17.62,-8.4,;18.96,-9.17,;14.96,-8.41,;14.96,-6.87,;13.63,-9.18,;12.3,-8.41,;12.29,-6.86,;10.96,-6.1,;10.95,-4.56,;9.63,-6.87,;9.62,-8.41,;10.96,-9.18,;10.96,-10.72,;21.62,-10.72,;20.84,-9.38,;22.38,-9.38,;22.95,-11.49,;22.95,-13.02,;24.27,-13.79,;25.6,-13.03,;26.94,-13.8,;25.6,-11.48,;24.27,-10.72,)|
COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)N1CCCCC1=O |r|
N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)-c1ccccc1 |r|
N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O
N[C@@H](CC(=O)NC1CCN(C1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)N1Cc2ccccc2C1 |r|
COc1ccc2ccccc2c1CN[C@@H]1CN[C@@H](C1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)C1c2ccccc2-c2ccccc12)C(=O)N1Cc2ccccc2C1 |r|
O=C([C@@H]1C[C@@H](CN1)NCc1ccnc2ccccc12)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CCC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)NC12CC3CC(CC(O)(C3)C1)C2)C(=O)N1Cc2ccccc2C1 |r,TLB:5:6:9:14.12.11,THB:7:8:11:16.6.15,7:6:9.8.14:11,5:6:9.8.14:11,15:6:9:14.12.11,15:12:9:16.7.6,13:12:9:16.7.6|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
c1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N
Fc1ccc(cc1)C(N1CCN(CC1)C(=O)CCC(=O)N1Cc2ccccc2C1)c1ccc(F)cc1
N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccc(F)cc2C1 |r|
N[C@@H](CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N1Cc2ccc(F)cc2C1 |r|
N[C@@H](CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCN(Cc2ccc3ccccc3c2)CC1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCN(Cc2ccc(cc2)-c2ccccc2C#N)CC1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1C[C@H]2C[C@@H]1CN2C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r,TLB:3:5:11.10:8|
N[C@@H](CC(=O)N1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 |r|
C[C@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
C[C@@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)C(=O)C1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1ccccc1)C(=O)N1Cc2ccccc2C1 |r|
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N1CCN(CC1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)C(=O)N1Cc2ccccc2C1 |r|
Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N
NC[C@H](N)C(=O)N1CCCCC1
C[C@H](N)C(=S)N1CCSC1
C[C@H](N)C(=O)N1CCC[C@H]1C#N
NC(Cc1cnc[nH]1)C(=O)N1CCCC1
NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCCCC1
NCCCC(N)C(=O)N1CCCCC1
NC(Cc1cnc[nH]1)C(=O)N1CCCCC1
C[C@H](N)C(=S)N1CCCC1
CCC(C)C(N)C(=O)N1CCCCC1
NCCCCC(N)C(=O)N1CCCC1
NC(CC(N)=O)C(=O)N1CCCC1
NC(CO)C(=O)N1CCCC1
N[C@@H](CC1CCCCC1)C(=O)N1CCCCC1
NCCCCC(N)C(=O)N1CCCCC1
NC(Cc1ccc(O)cc1)C(=O)N1CCCC1
NC(Cc1ccccc1)C(=O)N1CCCC1
S=C(C1CCCN1)N1CCCC1
CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
CCC(C)C(N)C(=O)N(C)C
CC(O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1)C(O)=O
CC(C)[C@@H](C(=O)N1CCCC1)N
CCC(C)C(N)C(=O)N1CCCCCC1
NC(C1CCCCC1)C(=O)N1CCCC1
CC(N)C(=O)N1CCCC1
NCCC(N)C(=O)N1CCNCC1
NCCCCC(N)C(=O)N1CCC1
CCC(C)C(N)C(=O)N1CCSC1
CCC(C)C(N)C(=O)N(CC)CC
NC(CC(O)=O)C(=O)N1CCCC1
NCCCCC(N)C(=O)N1CCSC1
CCCCC(N)C(=O)N1CCCCC1
NCCCCC(N)C(=O)N1CCC(C1)OC(=O)c1ccccc1
CCC(C)C(N)C(=O)N1CCCC1
NCCCCC(N)C(=O)N1CCCCC1C#N
CCC(C)C(N)C(=O)N1CCC(C1)OC(=O)c1ccccc1
NC(CO)C(=O)N1CCCCC1
NCCCCC(N)C(=O)N1CCC=CC1 |c:12|
NCCCCC(N)C(=O)N1CCC(O)C1
CCC(C)C(N)C(=O)N1CC=CC1 |c:10|
NC(C1CCCCC1)C(=O)N1CCCCC1
NCCC(N)C(=O)N1CCSC1
CCCN(C)C(=O)C(N)C(C)CC
NCCC(N)C(=O)N1CCCC[C@H]1C#N
CCC(C)C(N)C(=O)NC1CCCC1
CCC(C)C(N)C(=O)N1CCC1
CCC(C)C(N)C(=O)N1CCC(F)C1
NCC[C@@H](N)C(=O)N1CCCCC1
O=C(C1CCCS1)N1CCCC1
O=C(C1CCCN1)N1CCCC1
C1CCN(CC1)C(=O)[C@H](CCN)N
NCC(N)C(=O)N1CCCCC1
NC(CCCNC(N)=N)C(=O)N1CCCCC1
CCC(N)C(=O)N1CCCCC1
CCC(C)C(N)C(=O)N1CCC(O)C1
NCC[C@H](N)C(=S)N1CCCCC1
NCCCCC(N)C(=O)N1CCCCCC1
CCC(C)C(N)C(=O)N1CCC=CC1 |c:11|
NCCCC[C@@H](N)C(=S)N1CCCCC1
CCC(C)C(N)C(=O)N(C)CC
CCC(C)C(N)C(=O)N1CCC(C1)N=[N+]=[N-]
NCCCC(N)C(=O)N1CCSC1
NCCC[C@H](N)C(=S)N1CCCCC1
CCCC(N)C(=O)N1CCCCC1
NCCCCC(N)C(=O)N1CCC(C1)N=[N+]=[N-]
NCCCCC(N)C(=O)N1CCC[C@H]1C#N
NCCC(N)C(=O)N1CCOCC1
N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r|
N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(F)c1
COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F
c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N
N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCc2nc([nH]c2C1)-c1ccccc1)Cc1cc(F)ccc1F
Cn1c2CCN(C(C3CC3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
CC1N(CCc2c1nc(C1CC1)n2C)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
CC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |w:1.0|
Cn1c2CCN(Cc2nc1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F
CC(C)Cn1c2CN(CCc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F
CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
CC1N(CCc2c1nc(n2C)C(C)(C)C)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0|
N[C@@H](CC(=O)N1CCc2c(C1)nc(n2Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)ccc1F
CC1N(CCc2c1nc(C1CC1)n2C)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0|
Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Cn1c2CCN(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)C(C)(C)c2nc1C(F)(F)F
Cn1c2CCN(C(Cc3ccccc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
CC(C)Cn1c2CCN(Cc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F
N[C@@H](CC(=O)N1CCc2nc(n(Cc3ccc(F)cc3)c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
CCn1c2CCN(Cc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F
N[C@@H](CC(=O)N1CCc2nc([nH]c2C1)C(F)(F)F)Cc1cc(F)ccc1F
CC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0|
Cn1c2CCN(Cc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F
Cn1c2CN(CCc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F
CCn1c2CN(CCc2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F
C[C@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC=C)Cc1cc(F)c(F)cc1F |w:17.19|
C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
C[C@@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F
CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4|
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F |w:17.19|
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20|
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F |w:17.19|
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19|
CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F |w:17.19|
COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |w:7.6|
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19|
CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.5|
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19|
CC1(C)N(CCn2c(nnc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
CC1(C)CN(Cc2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F
[#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6@H](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r|
[#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6@H](-[#6]-[#6]-[#8])-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r|
[#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6@@H](-[#6]-[#6]-[#8])-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r|
[#6]-[#6](-[#6]-c1nc(no1)-c1ccc(cc1Cl)S([#6])(=O)=O)-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
[#6]-[#6](-[#6@H](-[#7])-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)-c1nc(no1)-c1ccc(cc1Cl)S([#6])(=O)=O |r|
[#6]-[#6](-[#6@H](-[#7])-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)-c1nc(no1)-c1ccc(-[#7]S([#6])(=O)=O)cc1Cl |r|
[#6]-[#6](-[#6@H](-[#7])-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)-c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F |r|
[#6]-[#6](-[#6@H](-[#7])-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)-c1nc(no1)-c1ccc(Br)cc1Cl |r|
[#6]-[#6](-[#6@H](-[#7])-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)-c1nc(no1)-c1ccc(cc1Cl)C(F)(F)F |r|
[#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r|
[#6]-[#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6](-[#6])-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r|
[#6]-[#6](-[#6@H](-[#7])-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)-c1nc(no1)-c1ccc(cc1)S([#6])(=O)=O |r|
[#6]-[#6](-[#6@H](-[#7])-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)-c1nc(no1)-c1ccc(Cl)cc1Cl |r|
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)C1=CN2N=CNC2C=C1 |r,c:27,32,t:24|
OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |r,TLB:11:12:15.14.19:17,THB:11:12:15:19.18.17,13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(O)=O |r|
N[C@@H](C1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCCC1 |r,wU:1.0,wD:5.8,(27.95,-4.24,;28,-2.7,;26.69,-1.89,;25.33,-2.62,;24.02,-1.8,;24.08,-.26,;25.44,.46,;26.74,-.35,;22.77,.55,;21.41,-.17,;20.67,1.18,;22.15,-1.52,;20.07,-.93,;18.74,-.13,;17.4,-.89,;17.38,-2.43,;16.04,-3.19,;18.72,-3.22,;20.05,-2.46,;21.38,-3.24,;29.35,-1.97,;29.4,-.43,;30.66,-2.78,;31.13,-4.25,;32.67,-4.25,;33.15,-2.78,;31.9,-1.87,)|
COc1ccc(cc1OC)N1CCN(CCNCC(=O)N2CCCC2C#N)C1=O
OB(O)[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O
N[C@@H](CCCN1Cc2ccccc2C1=O)C(=O)N1CCC[C@H]1C#N |r|
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc2ccccc12 |r|
O=C(CNC(=O)c1cccc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|
O=C(C[C@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|
Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Fc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccccc2C1 |r|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccsc2C1 |r|
FC(F)(F)c1cn2CCN(Cc2n1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Fc1ccc(cc1)N1CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCN(CC1)c1ccncc1 |r|
Clc1ccc(cc1)C1=CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r,t:8|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCCC1 |r|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCCCC1 |r|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1 |r|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCSC1)N1Cc2ccccc2C1 |r|
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCCC1)N1Cc2ccccc2C1 |r|
OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|
NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|
CC(C)Cc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN
CC(C)Cc1nc(C)c(CC(O)=O)c(-c2ccc(C)cc2)c1CN
CC(C)Cc1nc(C)c(CCC(O)=O)c(-c2ccc(C)cc2)c1CN
CCCCc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN
Cc1ccc(cc1)-c1c(CN)c(CC(C)(C)C)nc(C)c1C(O)=O
CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O
CCCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O
CC(C)c1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O
CC(C)Cc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O
Cc1ccc(cc1)-c1c(CN)c(CC(C)(C)C)nc(Cc2ccccc2)c1C(O)=O
CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(O)=O
CC(C)CC(=O)NCC(=O)N1CCC[C@H]1C#N |r|
C=C1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
O=C(CCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(Cc1cccs1)NCC(=O)N1CCC[C@H]1C#N |r|
Clc1ccc(CC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
Clc1ccc(cc1)C(C(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(Cl)cc1 |r|
FC(F)(F)Oc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
COc1ccc(cc1OC1CCCC1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Clc1cccc(Cl)c1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccc(cc1)-c1cccs1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc(c1)-c1ccccc1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC[C@H]1C#N |r|
COc1cccc(c1)S(=O)(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Fc1ccc(cc1)C(N1CCN(CC(=O)NCC(=O)N2CCC[C@H]2C#N)CC1)c1ccc(F)cc1 |r|
Fc1ccc(CNC(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
Fc1ccc(cc1)C(NC(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(F)cc1 |r|
Fc1ccc(CN2CCN(CC2)C(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
Fc1ccc(cc1)C(N1CCN(CC1)C(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(F)cc1 |r|
Fc1ccc(cc1F)-c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r|
CC(C)(C)OC(=O)N1CCN(CC1)c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r|
O=C(CNC(=O)c1ccccc1)N1CCCC1
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1 |r|
[N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
[N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
[N-]=[N+]=N[C@@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
CC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
CCC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
FC(F)(F)[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
O=C(CNC(=O)c1cccc2ccccc12)N1CCCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccccc1)N1CCCC[C@H]1C#N |r|
O=C(CCCc1ccccc1)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccccc1)N1CCC[C@H]1C#N |r|
COc1cccc(c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
CC(C)(C)OC(=O)NCc1cn(nn1)[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
O=C(CCCc1ccccc1)N1C[C@@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
[N-]=[N+]=N[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCNCC2)nn1 |r|
CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)CC1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCOCC2)nn1 |r|
CN(C)Cc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(COCc2ccccc2)nn1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Brc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Clc1ccccc1-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Fc1ccc(cc1F)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1 |r|
c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CCCCC1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CC1 |r|
C[Si](C)(C)c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1ccnn1 |r|
[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccc(F)cc1)Cc1ccccc1F |r|
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1ccccc1F |r|
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1ccccc1F |r|
COc1cccc(c1)-c1csc(n1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-n1ccnc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cncs1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nccs1)Cc1ccccc1F |r|
Cc1sc(nc1-c1ccccc1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Cn1cncc1-c1cccc(c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
CC(C)[C@H](N)C(=O)N1CCCC1B(O)O |r|
B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O
CC#CCn1c(nc2n(C)c(=O)n(CC3=NC4C=CC=CC4C(C)=N3)c(=O)c12)N1CCC[C@@H](N)C1 |r,c:17,19,24,t:14|
CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N
NC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1Cc2ccccc2C1
NC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1Cc2ccc(F)cc2C1 |TLB:0:1:4:7.8.9,6:1:4.5.7:9,THB:10:1:4:7.8.9,10:8:4:2.6.1,11:8:4:2.6.1,6:5:9:2.1.10|
CC(C)[C@H](NC12CC3CC(CC(N)(C3)C1)C2)C(=O)N1Cc2ccccc2C1 |r,TLB:12:11:8:15.5.6,THB:14:11:8:15.5.6,14:5:8:13.10.11,4:5:8:13.10.11,10:9:6:13.11.14,10:11:8.9.15:6|
CCCCNC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1Cc2ccccc2C1 |TLB:4:5:8:11.12.13,10:5:8.9.11:13,THB:14:5:8:11.12.13,14:12:8:6.10.5,15:12:8:6.10.5,10:9:13:6.5.14|
O=C(CNC12CC3CC(CC(C3)(C1)NCCCCC#N)C2)N1Cc2ccccc2C1 |TLB:13:10:7:20.4.5,THB:12:10:7:20.4.5,12:4:7:11.9.10,3:4:7:11.9.10,9:8:5:11.10.12,9:10:7.8.20:5|
O=C(CNC12CC3CC(C1)CC(C3)(C2)NCc1cccc(c1)C#N)N1Cc2ccccc2C1 |TLB:14:11:7:5.4.9,12:11:7.6.5:9,THB:13:11:7:5.4.9,13:4:7:10.12.11,3:4:7:10.12.11,12:6:9:10.11.13|
O=C(CNC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1Cc2ccccc2C1)N1Cc2ccccc2C1 |TLB:14:11:7:5.4.9,12:11:7.6.5:9,THB:13:11:7:5.4.9,13:4:7:10.12.11,3:4:7:10.12.11,12:6:9:10.11.13|
CCCCNC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:7:8:11:15.14.13,THB:16:8:11:15.14.13,16:14:11:30.9.8,17:14:11:30.9.8,9:10:13:30.8.16,9:8:11.10.15:13|
CC(C)CCNC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:8:9:12:16.15.14,THB:17:9:12:16.15.14,17:15:12:31.10.9,18:15:12:31.10.9,10:11:14:31.9.17,10:9:12.11.16:14|
CCC(C)(C)NC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:8:9:12:16.15.14,THB:17:9:12:16.15.14,17:15:12:31.10.9,18:15:12:31.10.9,10:11:14:31.9.17,10:9:12.11.16:14|
CC(C)(C)NC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:7:8:11:15.14.13,THB:16:8:11:15.14.13,16:14:11:30.9.8,17:14:11:30.9.8,9:10:13:30.8.16,9:8:11.10.15:13|
FCCNC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:6:7:10:14.13.12,THB:15:7:10:14.13.12,15:13:10:29.8.7,16:13:10:29.8.7,8:9:12:29.7.15,8:7:10.9.14:12|
[N-]=[N+]=NCCCNC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:32.11.10,19:16:13:32.11.10,11:12:15:32.10.18,11:10:13.12.17:15|
OCCCCNC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:8:9:12:16.15.14,THB:17:9:12:16.15.14,17:15:12:31.10.9,18:15:12:31.10.9,10:11:14:31.9.17,10:9:12.11.16:14|
O[C@H]1CC[C@@H](CC1)NC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |r,wU:4.7,wD:1.0,TLB:10:11:14:18.17.16,THB:19:11:14:18.17.16,19:17:14:33.12.11,20:17:14:33.12.11,12:13:16:33.11.19,12:11:14.13.18:16,(6.23,-4.67,;4.74,-5.07,;3.65,-3.98,;2.15,-4.38,;1.75,-5.87,;2.85,-6.96,;4.34,-6.56,;.26,-6.27,;-.83,-5.18,;-.43,-3.68,;-2.32,-5.58,;-3.41,-4.48,;-4.45,-4.97,;-5.16,-4.18,;-6.23,-3.98,;-5.08,-3.55,;-4.62,-2.61,;-3.63,-2.73,;-4.66,-3.18,;-2.93,-3.53,;-2.29,-1.96,;-2.29,-.42,;-.96,.35,;.38,-.42,;-.96,1.9,;.27,2.78,;-.2,4.28,;.57,5.63,;-.21,6.96,;-1.74,6.96,;-2.51,5.62,;-1.75,4.28,;-2.21,2.82,;-4.4,-4.27,)|
NCCNC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:6:7:10:14.13.12,THB:15:7:10:14.13.12,15:13:10:29.8.7,16:13:10:29.8.7,8:9:12:29.7.15,8:7:10.9.14:12|
NCCCCNC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:8:9:12:16.15.14,THB:17:9:12:16.15.14,17:15:12:31.10.9,18:15:12:31.10.9,10:11:14:31.9.17,10:9:12.11.16:14|
NCCCN1CCN(CCCNC(=O)OC23CC4CC(CC(C4)(C2)NCC(=O)N2Cc4ccccc4C2)C3)CC1 |TLB:14:15:18:22.21.20,THB:23:15:18:22.21.20,23:21:18:37.16.15,24:21:18:37.16.15,16:17:20:37.15.23,16:15:18.17.22:20|
O=C(CNC12CC3CC(C1)CC(C3)(C2)OC(=O)N1CCNCC1)N1Cc2ccccc2C1 |TLB:14:11:7:5.4.9,12:11:7.6.5:9,THB:13:11:7:5.4.9,13:4:7:10.12.11,3:4:7:10.12.11,12:6:9:10.11.13|
O=C(NCc1ccccc1)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:10:11:14:18.17.16,THB:19:11:14:18.17.16,19:17:14:33.12.11,20:17:14:33.12.11,12:13:16:33.11.19,12:11:14.13.18:16|
Fc1ccc(CNC(=O)OC23CC4CC(CC(C4)(C2)NCC(=O)N2Cc4ccccc4C2)C3)c(F)c1 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:32.11.10,19:16:13:32.11.10,11:12:15:32.10.18,11:10:13.12.17:15|
O=C(NCc1ccncc1)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:10:11:14:18.17.16,THB:19:11:14:18.17.16,19:17:14:33.12.11,20:17:14:33.12.11,12:13:16:33.11.19,12:11:14.13.18:16|
O=C(NCc1ccccn1)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:10:11:14:18.17.16,THB:19:11:14:18.17.16,19:17:14:33.12.11,20:17:14:33.12.11,12:13:16:33.11.19,12:11:14.13.18:16|
O=C(NCCc1ccccc1)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:11:12:15:19.18.17,THB:20:12:15:19.18.17,20:18:15:34.13.12,21:18:15:34.13.12,13:14:17:34.12.20,13:12:15.14.19:17|
O=C(NCCCc1ccccc1)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:12:13:16:20.19.18,THB:21:13:16:20.19.18,21:19:16:35.14.13,22:19:16:35.14.13,14:15:18:35.13.21,14:13:16.15.20:18|
O=C(NC(c1ccccc1)c1ccccc1)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:16:17:20:24.23.22,THB:25:17:20:24.23.22,25:23:20:39.18.17,26:23:20:39.18.17,18:19:22:39.17.25,18:17:20.19.24:22|
Fc1ccc(cc1)C(NC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2)c1ccc(F)cc1 |TLB:11:12:15:19.18.17,THB:20:12:15:19.18.17,20:18:15:34.13.12,21:18:15:34.13.12,13:14:17:34.12.20,13:12:15.14.19:17|
O=C(NC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:13:14:17:21.20.19,THB:22:14:17:21.20.19,22:20:17:36.15.14,11:9:6:12.3.4,11:3:6:10.8.9,23:20:17:36.15.14,15:16:19:36.14.22,15:14:17.16.21:19,8:7:4:10.9.11,8:9:6.7.12:4|
OC12CC3CC(C1)CC(C3)(C2)NC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2
NC12CC3CC(C1)CC(C3)(C2)NC(=O)OC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2
Fc1ccc(COC23CC4CC(CC(C4)(C2)NC(=O)OC24CC5CC(CC(C5)(C2)NCC(=O)N2Cc5ccccc5C2)C4)C3)c(F)c1 |TLB:19:20:23:27.26.25,6:7:10.9.14:12,THB:28:20:23:27.26.25,28:26:23:42.21.20,15:7:10:14.13.12,15:13:10:43.8.7,6:7:10:14.13.12,29:26:23:42.21.20,21:22:25:42.20.28,21:20:23.22.27:25,8:9:12:43.7.15,8:7:10.9.14:12|
O=C(NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2)OCC1c2ccccc2-c2ccccc12 |TLB:2:3:6:10.9.8,THB:11:3:6:10.9.8,11:9:6:25.4.3,12:9:6:25.4.3,4:5:8:25.3.11,4:3:6.5.10:8|
CC(C)(OC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2)C(Cl)(Cl)Cl |TLB:6:7:10:14.13.12,THB:15:7:10:14.13.12,15:13:10:29.8.7,16:13:10:29.8.7,8:9:12:29.7.15,8:7:10.9.14:12|
CC(C)(C)OC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:7:8:11:15.14.13,THB:16:8:11:15.14.13,16:14:11:30.9.8,17:14:11:30.9.8,9:10:13:30.8.16,9:8:11.10.15:13|
CC(C)(C)OC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccc(F)cc3C1)C2 |TLB:7:8:11:15.14.13,THB:16:8:11:15.14.13,16:14:11:31.9.8,17:14:11:31.9.8,9:10:13:31.8.16,9:8:11.10.15:13|
CC(C)(C)OC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3cc(F)c(F)cc3C1)C2 |TLB:7:8:11:15.14.13,THB:16:8:11:15.14.13,16:14:11:32.9.8,17:14:11:32.9.8,9:10:13:32.8.16,9:8:11.10.15:13|
CC(C)[C@H](NC12CC3CC(C1)CC(C3)(C2)NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C1 |r,TLB:15:12:8:6.5.10,13:12:8.7.6:10,THB:14:12:8:6.5.10,14:5:8:11.13.12,4:5:8:11.13.12,13:7:10:11.12.14|
CC(C)(C)COC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:8:9:12:16.15.14,THB:17:9:12:16.15.14,17:15:12:31.10.9,18:15:12:31.10.9,10:11:14:31.9.17,10:9:12.11.16:14|
ClC(Cl)(Cl)COC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:8:9:12:16.15.14,THB:17:9:12:16.15.14,17:15:12:31.10.9,18:15:12:31.10.9,10:11:14:31.9.17,10:9:12.11.16:14|
CC(C)(C)NC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:7:8:11:15.14.13,THB:16:8:11:15.14.13,16:14:11:30.9.8,17:14:11:30.9.8,9:10:13:30.8.16,9:8:11.10.15:13|
CC(C)(C)NC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccc(F)cc3C1)C2 |TLB:7:8:11:15.14.13,THB:16:8:11:15.14.13,16:14:11:31.9.8,17:14:11:31.9.8,9:10:13:31.8.16,9:8:11.10.15:13|
CC(C)(C)NC(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3cc(F)c(F)cc3C1)C2 |TLB:7:8:11:15.14.13,THB:16:8:11:15.14.13,16:14:11:32.9.8,17:14:11:32.9.8,9:10:13:32.8.16,9:8:11.10.15:13|
O=C(CNC12CC3CC(C1)CC(C3)(C2)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1 |TLB:14:11:7:5.4.9,12:11:7.6.5:9,21:22:19.20.25:26,THB:13:11:7:5.4.9,13:4:7:10.12.11,23:22:19:25.24.26,23:24:19:27.21.22,3:4:7:10.12.11,12:6:9:10.11.13,21:20:26:27.22.23|
O=C(CNC12CC3CC(C1)CC(C3)(C2)NC(=O)NCc1ccccc1)N1Cc2ccccc2C1 |TLB:14:11:7:5.4.9,12:11:7.6.5:9,THB:13:11:7:5.4.9,13:4:7:10.12.11,3:4:7:10.12.11,12:6:9:10.11.13|
CC(C)(C)C(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:6:7:10:14.13.12,THB:15:7:10:14.13.12,15:13:10:29.8.7,16:13:10:29.8.7,8:9:12:29.7.15,8:7:10.9.14:12|
O=C(CNC12CC3CC(C1)CC(C3)(C2)NC(=O)C12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1 |TLB:14:11:7:5.4.9,15:17:20:24.22.23,12:11:7.6.5:9,THB:13:11:7:5.4.9,13:4:7:10.12.11,25:23:20:26.17.18,25:17:20:24.22.23,3:4:7:10.12.11,12:6:9:10.11.13,22:21:18:24.23.25,22:23:20.21.26:18|
Fc1ccc2CN(Cc2c1)C(=O)CNC12CC3CC(C1)CC(C3)(C2)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:21:17:15.14.19,25:27:30:34.32.33,22:21:17.16.15:19,THB:23:21:17:15.14.19,23:14:17:20.22.21,35:33:30:36.27.28,35:27:30:34.32.33,13:14:17:20.22.21,22:16:19:20.21.23,32:31:28:34.33.35,32:33:30.31.36:28|
OC12CC3CC(C1)CC(CC(=O)NC14CC5CC(CC(C5)(C1)NCC(=O)N1Cc5ccccc5C1)C4)(C3)C2 |TLB:12:13:16:20.19.18,6:1:4.5.7:36,THB:21:13:16:20.19.18,21:19:16:35.14.13,37:1:4:7.8.36,37:8:4:2.6.1,0:1:4:7.8.36,0:1:4.5.7:36,22:19:16:35.14.13,14:15:18:35.13.21,14:13:16.15.20:18,6:5:36:2.1.37|
O=C(CCc1ccc(cc1)C#N)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:12:13:16:20.19.18,THB:21:13:16:20.19.18,21:19:16:35.14.13,22:19:16:35.14.13,14:15:18:35.13.21,14:13:16.15.20:18|
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |r,TLB:18:19:22:26.25.24,THB:27:19:22:26.25.24,27:25:22:41.20.19,28:25:22:41.20.19,20:21:24:41.19.27,20:19:22.21.26:24|
N[C@@H](C1CC[C@H](O)CC1)C(=O)N1Cc2ccccc2C1 |r,wU:5.5,wD:1.0,(-2.06,.15,;-.72,-.61,;-.7,-2.15,;-2.03,-2.93,;-2.02,-4.47,;-.67,-5.23,;-.67,-6.77,;.65,-4.44,;.64,-2.9,;.61,.18,;1.95,-.58,;.59,1.72,;-.67,2.61,;-.23,4.08,;-1.02,5.41,;-.26,6.75,;1.28,6.77,;2.06,5.44,;1.31,4.11,;1.8,2.61,)|
CCCCOC12CC3CC(CC(C3)(C1)NCC(=O)N1Cc3ccccc3C1)C2 |TLB:4:5:8:12.11.10,THB:13:5:8:12.11.10,13:11:8:27.6.5,14:11:8:27.6.5,6:7:10:27.5.13,6:5:8.7.12:10|
O=C(NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2)OCCOCCNc1ccc([N+](=O)[O-])c2nonc12
O=C(NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2)OCCOCCNc1ccc([N+](=O)[O-])c2nonc12
CN(C)c1cccc2c(S(=O)(=O)NCCOCCOC(=O)NC34CC5CC(CC(NCC(=O)N6Cc7ccc(F)cc7C6)(C5)C3)C4)cccc12
CN(C)c1cccc2c(S(=O)(=O)NCCOCCOC(=O)NC34CC5CC(CC(NCC(=O)N6Cc7cc(F)c(F)cc7C6)(C5)C3)C4)cccc12
CC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)NC34CC5CC(CC(NCC(=O)N6Cc7cc(F)c(F)cc7C6)(C5)C3)C4)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCNC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCNC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5ccc(F)cc5C4)(C3)C1)C2
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCNC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCNC(=O)NC12CC3CC(CC(NCC(=O)N4Cc5cc(F)c(F)cc5C4)(C3)C1)C2
COC(CF)COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1
N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCC(O)CF)cc12
CC1(C)O[C@@H](CF)[C@H](COc2ccc3nccc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)c3c2)O1
N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OC[C@H](O)[C@@H](O)CF)cc12
C[N+](C)(CF)CCCOc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C
CN1[C@@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:5|