866 SMILES Strings for Integrin alpha-V/beta-6

Compound Name
SMILES String
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:34|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:37|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)F)=NC1 |r,c:36|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:37|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34|
OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:36|
OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33|
OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=NC1 |r,c:40|
Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
Cc1cc(Cl)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34|
OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Cl)c2)=NC1 |r,c:34|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
CC(C)(C)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
CC(C)(C)OC(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1 |r|
Cc1cccc(C)c1C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
Cc1cccc(C)c1C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1Cl |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cc(cc1Cl)C#N |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cc(cc1Cl)C#N |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1C(F)(F)F |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)C(F)(F)F |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(cc1)C(F)(F)F |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(OC(F)(F)F)ccc1Cl |r|
Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@@H](CCN1CCC(CCc2ccc3CCCNc3n2)CC1)C(O)=O |r|
Cc1cc(C)n(n1)-c1cccc(c1)C(=O)NC(CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1N1CCOCC1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)N1CCOCC1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(cc1)N1CCOCC1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccn1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccncc1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccnc1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cncc1Cl |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cncc1Cl |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCC(F)(F)CC1 |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCC(F)(F)CC1 |r|
CC1(CCOCC1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCN(CC1)C1CC1 |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCN(CC1)C1CC1 |r|
Cn1ncc2ccc(cc12)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
Cn1ncc2cc(ccc12)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc2cn[nH]c12 |r|
Cn1ncc2c(cccc12)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
Cn1ncc2cccc(C(=O)N[C@@H](CCN3CC[C@@H](CCc4ccc5CCCNc5n4)C3)C(O)=O)c12 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc2cnn(C(F)F)c2c1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc2n(ncc2c1)C(F)F |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc2ocnc2c1 |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc2ocnc2c1 |r|
OC(=O)[C@H](CCN1CCC(CC1)NC(=O)c1ccc2CCCNc2n1)NC(=O)C1CCC(F)(F)CC1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc2[nH]ncc12 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 |r|
CC(C)(C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1cccnc1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCOCC1 |r|
OC(=O)[C@H](CCN1CC(CCc2ccc3CCCNc3n2)C(F)(F)C1)NC(=O)c1ccccc1 |r|
CC(C)(C)OC(=O)N[C@@H](CCN1CC(CCc2ccc3CCCNc3n2)CC(F)(F)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC(CCc2ccc3CCCNc3n2)CC(F)(F)C1)NC(=O)c1ccccc1 |r|
Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@@H](CCN1CC(CCc2ccc3CCCNc3n2)CC(F)(F)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1c1ccccc1 |r|
CC(C)(C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r|
CC(C)(Cc1ccccc1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@H]1CCN(C1)c1ccccn1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCN(C1)c1ccccn1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)C#N |r|
Cn1nccc1C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cnccn1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccs1 |r|
OC(=O)[C@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1 |r|
Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CCCC(CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cccs1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1ccccc1 |r|
Cn1nccc1-c1cccc(c1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
Cn1cc(cn1)-c1cccc(c1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1ncco1 |r|
CC(C)n1ncc2c(cccc12)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
CC(C)Cn1ncc2c(cccc12)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1Cl |r|
OC(=O)[C@H](CCN1CC[C@@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r|
OC(=O)[C@H](CCN1CC[C@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cscn1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cncs1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1F |r|
CC(C)(C)c1cccc(c1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
Cn1cc(cn1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccncn1 |r|
CC(C)n1cc2c(cccc2n1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
CC(C)Cn1cc2c(cccc2n1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
CCCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)Cc1ccccc1Cl |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(F)cc(c1)C(F)(F)F |r|
CC(C)(O)CN1CCC[C@H]1C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
CCCCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
CC(C)(C)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
COC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCN1Cc1ccccc1 |r|
Cn1nc(-c2ccccc2)c2cccc(C(=O)N[C@@H](CCN3CC[C@@H](CCc4ccc5CCCNc5n4)C3)C(O)=O)c12 |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1ccccc1 |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cncs1 |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cscn1 |r|
Cn1nccc1-c1cccc(c1)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
Cn1cc(cn1)-c1cccc(c1)C(=O)N[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1ncco1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1COCCN1Cc1ccccc1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1Cc1ncccn1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1CC1CC1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1CC1CCC1 |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 |r|
CCC(CC)C(=O)N[C@@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
CCC(CC)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)N1CCOCC1 |r|
OC(=O)[C@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(F)cc(F)c1 |r|
Cc1nn(C)cc1-c1nn(C)c2c(cccc12)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1Cc1cccnc1 |r|
COCCOc1cccc(c1)C(=O)N[C@@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r|
Cn1cc(cn1)-c1nn(C)c2c(cccc12)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1Cl |r|
OC(=O)[C@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(F)cc(F)c1 |r|
OC(=O)[C@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(F)cc(c1)C(F)(F)F |r|
Cn1ncc2ccc(cc12)C(=O)N[C@@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CCC[C@@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCC(F)(F)CC1 |r|
CCC(CC)C(=O)N[C@@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCC(F)(F)CC1 |r|
Cn1ncc2ccc(cc12)C(=O)N[C@@H](CCN1CCC[C@](F)(CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
CC(C)(C)OC(=O)N[C@@H](CCN1CC[C@H](C1)OCc1ccc2CCCNc2n1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@H](C1)OCc1ccc2CCCNc2n1)NC(=O)c1ccccc1 |r|
Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@@H](CCN1CC[C@H](C1)OCc1ccc2CCCNc2n1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl |r|
OC(=O)[C@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl |r|
CC(=O)N1CCN(CC[C@H](NC(=O)c2ccccc2)C(O)=O)C[C@@H]1CCc1ccc2CCCNc2n1 |r|
OC(=O)[C@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)NC(=O)C1CCOCC1 |r|
CC(C)(C(=O)N[C@@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)C(O)=O)c1ccccc1 |r|
CC(C)(Cc1ccccc1)C(=O)N[C@@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)C(O)=O |r|
CC(C)(C(=O)N[C@@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)C(O)=O)c1ccccc1 |r|
OC(=O)[C@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 |r|
CC(C)(C(=O)N[C@@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)C(O)=O)c1cccnc1 |r|
OC(=O)[C@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 |r|
OC(=O)[C@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)NC(=O)C1CCOCC1 |r|
OC(=O)[C@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@@H]1CCN(C1)c1ccccn1 |r|
OC(=O)[C@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@H]1CCN(C1)c1ccccn1 |r|
OC(=O)[C@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@@H]1CCCN1c1ccccc1 |r|
CC(C)(C(=O)N[C@@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)C(O)=O)c1cccnc1 |r|
OC(=O)[C@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1c1ccccc1 |r|
CC(C)(Cc1ccccc1)C(=O)N[C@@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)C(O)=O |r|
OC(=O)[C@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@@H]1CCN(C1)c1ccccn1 |r|
OC(=O)[C@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@H]1CCN(C1)c1ccccn1 |r|
OC(=O)[C@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)NC(=O)[C@@H]1CCCN1c1ccccc1 |r|
CC(C)(O)CC1NCCC1C(=O)N[C@@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)C(O)=O |r|
OC(=O)[C@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCCN1Cc1ccccc1 |r|
CC(C)(C(=O)N[C@@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r|
CC(C)(Cc1ccccc1)C(=O)N[C@@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)NC(=O)[C@H]1CCN(C1)c1ccccn1 |r|
OC(=O)[C@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r|
OC(=O)[C@H](CCN1C2CCC1C(CCc1ccc3CCCNc3n1)C2)NC(=O)c1cc(F)cc(c1)C(F)(F)F |r,THB:12:11:6:8.9|
CC(C)(O)CN1CCC[C@H]1C(=O)N[C@@H](CCN1CC[C@H](C1)OCCc1ccc2CCCNc2n1)C(O)=O |r|
OC(=O)[C@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCNC1Cc1ccccc1 |r|
CC(C)(C(=O)N[C@@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)C(O)=O)c1cccnc1 |r|
CCC(CC)C(=O)N[C@@H](CCN1C2CCC1C(CCc1ccc3CCCNc3n1)C2)C(O)=O |r,THB:17:16:11:13.14|
OC(=O)[C@H](CCN1CC[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r|
OC(=O)[C@@H](CCN1CC[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(Cl)cccc1Cl |r|
OC(=O)[C@H](CCOCCCCc1ccc2CCCNc2n1)NC(=O)c1cccc(F)c1Cl
Cn1ncc2c(cccc12)C(=O)NC(CCOCCCCc1ccc2CCCNc2n1)C(O)=O
CCC(CC)C(=O)NC(CCOCCCCc1ccc2CCCNc2n1)C(O)=O
OC(=O)C(CCOCCCCc1ccc2CCCNc2n1)NC(=O)c1ccccc1
OC(=O)C(CCOCCCCc1ccc2CCCNc2n1)NC(=O)C1CCC(F)(F)CC1
CCCCC(=O)NC(CCOCCCCc1ccc2CCCNc2n1)C(O)=O
OC(=O)C(CCOCCCCc1ccc2CCCNc2n1)NC(=O)c1cc(F)cc(c1)C(F)(F)F
OC(=O)C(CCOC1CC(CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(F)cc(c1)C(F)(F)F |(-6.28,-4.55,;-4.94,-3.78,;-3.61,-4.55,;-4.94,-2.24,;-3.61,-1.47,;-2.28,-2.24,;-.94,-1.47,;.39,-2.24,;.79,-3.73,;2.28,-3.33,;3.61,-4.1,;4.94,-3.33,;6.28,-4.1,;6.28,-5.64,;7.61,-6.41,;8.95,-5.64,;10.28,-6.41,;11.61,-5.64,;11.61,-4.1,;10.28,-3.33,;8.95,-4.1,;7.61,-3.33,;1.88,-1.84,;-6.28,-1.47,;-6.28,.07,;-4.94,.84,;-7.61,.84,;-8.95,.07,;-10.28,.84,;-11.61,.07,;-10.28,2.38,;-8.94,3.2,;-7.61,2.38,;-8.95,4.74,;-8.95,6.28,;-7.41,4.74,;-10.49,4.74,)|
CCCCC(=O)NC(CCOC1CC(CCc2ccc3CCCNc3n2)C1)C(O)=O |(-11.61,2.85,;-10.28,3.62,;-8.95,2.85,;-7.61,3.62,;-6.28,2.85,;-4.94,3.62,;-6.28,1.31,;-4.94,.54,;-3.61,1.31,;-2.28,.54,;-.94,1.31,;.39,.54,;.79,-.94,;2.28,-.54,;3.61,-1.31,;4.94,-.54,;6.28,-1.31,;6.28,-2.85,;7.61,-3.62,;8.95,-2.85,;10.28,-3.62,;11.61,-2.85,;11.61,-1.31,;10.28,-.54,;8.95,-1.31,;7.61,-.54,;1.88,.94,;-4.94,-1,;-6.28,-1.77,;-3.61,-1.77,)|
CC(C)(C)OC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,wU:14.14,wD:12.11,(-10.95,3.62,;-9.61,2.85,;-9.61,1.31,;-10.95,2.08,;-8.28,3.62,;-6.94,2.85,;-5.61,3.62,;-6.94,1.31,;-5.61,.54,;-4.28,1.31,;-2.94,.54,;-1.61,1.31,;-.28,.54,;.12,-.94,;1.61,-.54,;2.94,-1.31,;4.28,-.54,;5.61,-1.31,;5.61,-2.85,;6.94,-3.62,;8.28,-2.85,;9.61,-3.62,;10.95,-2.85,;10.95,-1.31,;9.61,-.54,;8.28,-1.31,;6.94,-.54,;1.21,.94,;-5.61,-1,;-6.94,-1.77,;-4.28,-1.77,)|
CC(C)(C)OC(=O)NC(CCOCCCCc1ccc2CCCNc2n1)C(O)=O
OC(=O)C(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1Cl |r,wU:9.9,7.6,(-6.94,-3.69,;-5.61,-2.92,;-4.28,-3.69,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-6.94,-.61,;-6.94,.93,;-5.61,1.7,;-8.28,1.7,;-9.61,.93,;-10.95,1.7,;-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-8.28,3.24,;-6.94,4.01,)|
OC(=O)C(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(F)cc1 |r,wU:9.9,7.6,(-6.28,-2.92,;-4.94,-2.15,;-3.61,-2.92,;-4.94,-.61,;-3.61,.16,;-2.28,-.61,;-.94,.16,;.39,-.61,;.79,-2.1,;2.28,-1.7,;3.61,-2.47,;4.94,-1.7,;6.28,-2.47,;6.28,-4.01,;7.61,-4.78,;8.94,-4.01,;10.28,-4.78,;11.61,-4.01,;11.61,-2.47,;10.28,-1.7,;8.94,-2.47,;7.61,-1.7,;1.88,-.21,;-6.28,.16,;-6.28,1.7,;-4.94,2.47,;-7.61,2.47,;-7.61,4.01,;-8.94,4.78,;-10.28,4.01,;-11.61,4.78,;-10.28,2.47,;-8.94,1.7,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(F)cc1 |r,wU:9.9,wD:7.6,(-6.28,-2.92,;-4.94,-2.15,;-3.61,-2.92,;-4.94,-.61,;-3.61,.16,;-2.28,-.61,;-.94,.16,;.39,-.61,;.79,-2.1,;2.28,-1.7,;3.61,-2.47,;4.94,-1.7,;6.28,-2.47,;6.28,-4.01,;7.61,-4.78,;8.94,-4.01,;10.28,-4.78,;11.61,-4.01,;11.61,-2.47,;10.28,-1.7,;8.94,-2.47,;7.61,-1.7,;1.88,-.21,;-6.28,.16,;-6.28,1.7,;-4.94,2.47,;-7.61,2.47,;-7.61,4.01,;-8.94,4.78,;-10.28,4.01,;-11.61,4.78,;-10.28,2.47,;-8.94,1.7,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(Cl)cc1 |r,wU:9.9,wD:7.6,(-6.28,-2.92,;-4.94,-2.15,;-3.61,-2.92,;-4.94,-.61,;-3.61,.16,;-2.28,-.61,;-.94,.16,;.39,-.61,;.79,-2.1,;2.28,-1.7,;3.61,-2.47,;4.94,-1.7,;6.28,-2.47,;6.28,-4.01,;7.61,-4.78,;8.94,-4.01,;10.28,-4.78,;11.61,-4.01,;11.61,-2.47,;10.28,-1.7,;8.94,-2.47,;7.61,-1.7,;1.88,-.21,;-6.28,.16,;-6.28,1.7,;-4.94,2.47,;-7.61,2.47,;-7.61,4.01,;-8.94,4.78,;-10.28,4.01,;-11.61,4.78,;-10.28,2.47,;-8.94,1.7,)|
CC(C)(C)OC(=O)NC(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:8.7,wU:14.14,12.11,(-10.95,3.62,;-9.61,2.85,;-9.61,1.31,;-10.95,2.08,;-8.28,3.62,;-6.94,2.85,;-5.61,3.62,;-6.94,1.31,;-5.61,.54,;-4.28,1.31,;-2.94,.54,;-1.61,1.31,;-.28,.54,;.12,-.94,;1.61,-.54,;2.94,-1.31,;4.28,-.54,;5.61,-1.31,;5.61,-2.85,;6.94,-3.62,;8.28,-2.85,;9.61,-3.62,;10.95,-2.85,;10.95,-1.31,;9.61,-.54,;8.28,-1.31,;6.94,-.54,;1.21,.94,;-5.61,-1,;-6.94,-1.77,;-4.28,-1.77,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1 |r,wU:9.9,wD:7.6,(-6.94,-3.69,;-5.61,-2.92,;-4.28,-3.69,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-6.94,-.61,;-6.94,.93,;-5.61,1.7,;-8.28,1.7,;-9.61,.93,;-10.95,1.7,;-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-8.28,3.24,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(Cl)c1 |r,wU:9.9,wD:7.6,(-6.94,-3.69,;-5.61,-2.92,;-4.28,-3.69,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-6.94,-.61,;-6.94,.93,;-5.61,1.7,;-8.28,1.7,;-9.61,.93,;-10.95,1.7,;-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-8.28,3.24,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1Cl |r,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-9.61,1.7,;-10.95,2.47,;-10.95,4.01,;-9.61,4.78,;-8.28,4.01,;-6.94,4.78,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1F |r,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-9.61,1.7,;-10.95,2.47,;-10.95,4.01,;-9.61,4.78,;-8.28,4.01,;-6.94,4.78,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(F)c1F |r,wU:9.9,wD:7.6,(-6.94,-3.69,;-5.61,-2.92,;-4.28,-3.69,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-6.94,-.61,;-6.94,.93,;-5.61,1.7,;-8.28,1.7,;-9.61,.93,;-10.95,1.7,;-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-8.28,3.24,;-6.94,4.01,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(F)cc1F |r,wU:9.9,wD:7.6,(-6.28,-2.92,;-4.94,-2.15,;-3.61,-2.92,;-4.94,-.61,;-3.61,.16,;-2.28,-.61,;-.94,.16,;.39,-.61,;.79,-2.1,;2.28,-1.7,;3.61,-2.47,;4.94,-1.7,;6.28,-2.47,;6.28,-4.01,;7.61,-4.78,;8.95,-4.01,;10.28,-4.78,;11.61,-4.01,;11.61,-2.47,;10.28,-1.7,;8.95,-2.47,;7.61,-1.7,;1.88,-.21,;-6.28,.16,;-6.28,1.7,;-4.94,2.47,;-7.61,2.47,;-8.95,1.7,;-10.28,2.47,;-10.28,4.01,;-11.61,4.78,;-8.95,4.78,;-7.61,4.01,;-6.28,4.78,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(F)cc1Cl |r,wU:9.9,wD:7.6,(-6.28,-2.92,;-4.94,-2.15,;-3.61,-2.92,;-4.94,-.61,;-3.61,.16,;-2.28,-.61,;-.94,.16,;.39,-.61,;.79,-2.1,;2.28,-1.7,;3.61,-2.47,;4.94,-1.7,;6.28,-2.47,;6.28,-4.01,;7.61,-4.78,;8.95,-4.01,;10.28,-4.78,;11.61,-4.01,;11.61,-2.47,;10.28,-1.7,;8.95,-2.47,;7.61,-1.7,;1.88,-.21,;-6.28,.16,;-6.28,1.7,;-4.94,2.47,;-7.61,2.47,;-8.95,1.7,;-10.28,2.47,;-10.28,4.01,;-11.61,4.78,;-8.95,4.78,;-7.61,4.01,;-6.28,4.78,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(F)cc(Cl)c1 |r,wU:9.9,wD:7.6,(-6.28,-3.69,;-4.94,-2.92,;-3.61,-3.69,;-4.94,-1.38,;-3.61,-.61,;-2.28,-1.38,;-.94,-.61,;.39,-1.38,;.79,-2.87,;2.28,-2.47,;3.61,-3.24,;4.94,-2.47,;6.28,-3.24,;6.28,-4.78,;7.61,-5.55,;8.95,-4.78,;10.28,-5.55,;11.61,-4.78,;11.61,-3.24,;10.28,-2.47,;8.95,-3.24,;7.61,-2.47,;1.88,-.98,;-6.28,-.61,;-6.28,.93,;-4.94,1.7,;-7.61,1.7,;-8.95,.93,;-10.28,1.7,;-11.61,.93,;-10.28,3.24,;-8.95,4.01,;-8.95,5.55,;-7.61,3.24,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(Cl)c1F |r,wU:9.9,wD:7.6,(-6.94,-3.69,;-5.61,-2.92,;-4.28,-3.69,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-6.94,-.61,;-6.94,.93,;-5.61,1.7,;-8.28,1.7,;-9.61,.93,;-10.95,1.7,;-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-8.28,3.24,;-6.94,4.01,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(F)cc(F)c1 |r,wU:9.9,wD:7.6,(-6.28,-3.69,;-4.94,-2.92,;-3.61,-3.69,;-4.94,-1.38,;-3.61,-.61,;-2.28,-1.38,;-.94,-.61,;.39,-1.38,;.79,-2.87,;2.28,-2.47,;3.61,-3.24,;4.94,-2.47,;6.28,-3.24,;6.28,-4.78,;7.61,-5.55,;8.95,-4.78,;10.28,-5.55,;11.61,-4.78,;11.61,-3.24,;10.28,-2.47,;8.95,-3.24,;7.61,-2.47,;1.88,-.98,;-6.28,-.61,;-6.28,.93,;-4.94,1.7,;-7.61,1.7,;-8.95,.93,;-10.28,1.7,;-11.61,.93,;-10.28,3.24,;-8.95,4.01,;-8.95,5.55,;-7.61,3.24,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(F)c(F)c1 |r,wU:9.9,wD:7.6,(-6.28,-3.69,;-4.94,-2.92,;-3.61,-3.69,;-4.94,-1.38,;-3.61,-.61,;-2.28,-1.38,;-.94,-.61,;.39,-1.38,;.79,-2.87,;2.28,-2.47,;3.61,-3.24,;4.94,-2.47,;6.28,-3.24,;6.28,-4.78,;7.61,-5.55,;8.95,-4.78,;10.28,-5.55,;11.61,-4.78,;11.61,-3.24,;10.28,-2.47,;8.95,-3.24,;7.61,-2.47,;1.88,-.98,;-6.28,-.61,;-6.28,.93,;-4.94,1.7,;-7.61,1.7,;-8.95,.93,;-10.28,1.7,;-10.28,3.24,;-11.61,4.01,;-8.95,4.01,;-8.95,5.55,;-7.61,3.24,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(Cl)c1Cl |r,wU:9.9,wD:7.6,(-6.94,-3.69,;-5.61,-2.92,;-4.28,-3.69,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-6.94,-.61,;-6.94,.93,;-5.61,1.7,;-8.28,1.7,;-9.61,.93,;-10.95,1.7,;-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-8.28,3.24,;-6.94,4.01,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(F)cccc1Cl |r,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-9.61,1.7,;-9.61,.16,;-10.95,2.47,;-10.95,4.01,;-9.61,4.78,;-8.28,4.01,;-6.94,4.78,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1c(F)cccc1F |r,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-9.61,1.7,;-9.61,.16,;-10.95,2.47,;-10.95,4.01,;-9.61,4.78,;-8.28,4.01,;-6.94,4.78,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cc(F)ccc1F |r,wU:9.9,wD:7.6,(-6.28,-2.92,;-4.94,-2.15,;-3.61,-2.92,;-4.94,-.61,;-3.61,.16,;-2.28,-.61,;-.94,.16,;.39,-.61,;.79,-2.1,;2.28,-1.7,;3.61,-2.47,;4.94,-1.7,;6.28,-2.47,;6.28,-4.01,;7.61,-4.78,;8.95,-4.01,;10.28,-4.78,;11.61,-4.01,;11.61,-2.47,;10.28,-1.7,;8.95,-2.47,;7.61,-1.7,;1.88,-.21,;-6.28,.16,;-6.28,1.7,;-4.94,2.47,;-7.61,2.47,;-8.95,1.7,;-10.28,2.47,;-11.61,1.7,;-10.28,4.01,;-8.95,4.78,;-7.61,4.01,;-6.28,4.78,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(Cl)c(Cl)c1 |r,wU:9.9,wD:7.6,(-6.28,-3.69,;-4.94,-2.92,;-3.61,-3.69,;-4.94,-1.38,;-3.61,-.61,;-2.28,-1.38,;-.94,-.61,;.39,-1.38,;.79,-2.87,;2.28,-2.47,;3.61,-3.24,;4.94,-2.47,;6.28,-3.24,;6.28,-4.78,;7.61,-5.55,;8.95,-4.78,;10.28,-5.55,;11.61,-4.78,;11.61,-3.24,;10.28,-2.47,;8.95,-3.24,;7.61,-2.47,;1.88,-.98,;-6.28,-.61,;-6.28,.93,;-4.94,1.7,;-7.61,1.7,;-8.95,.93,;-10.28,1.7,;-10.28,3.24,;-11.61,4.01,;-8.95,4.01,;-8.95,5.55,;-7.61,3.24,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccn1 |r,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-9.61,1.7,;-10.95,2.47,;-10.95,4.01,;-9.61,4.78,;-8.28,4.01,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccnc1 |r,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-9.61,1.7,;-10.95,2.47,;-10.95,4.01,;-9.61,4.78,;-8.28,4.01,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccncc1 |r,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-8.28,4.01,;-9.61,4.78,;-10.95,4.01,;-10.95,2.47,;-9.61,1.7,)|
Cn1ncc2c(cccc12)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,wU:19.21,wD:17.18,(-10.38,6.08,;-9.29,4.99,;-7.76,5.15,;-7.13,3.74,;-8.28,2.71,;-8.28,1.17,;-9.61,.4,;-10.95,1.17,;-10.95,2.71,;-9.61,3.48,;-6.94,.4,;-5.61,1.17,;-6.94,-1.14,;-5.61,-1.91,;-4.28,-1.14,;-2.94,-1.91,;-1.61,-1.14,;-.28,-1.91,;.12,-3.4,;1.61,-3,;2.94,-3.77,;4.28,-3,;5.61,-3.77,;5.61,-5.31,;6.94,-6.08,;8.28,-5.31,;9.61,-6.08,;10.95,-5.31,;10.95,-3.77,;9.61,-3,;8.28,-3.77,;6.94,-3,;1.21,-1.51,;-5.61,-3.45,;-6.94,-4.22,;-4.28,-4.22,)|
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Cn1ccc2c(ccnc12)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,wU:19.21,wD:17.18,(-12.26,1.84,;-10.77,1.44,;-10.15,.03,;-8.62,.19,;-8.3,1.7,;-6.96,2.47,;-6.96,4.01,;-8.3,4.78,;-9.63,4.01,;-9.63,2.47,;-5.63,1.7,;-4.29,2.47,;-5.63,.16,;-4.29,-.61,;-2.96,.16,;-1.63,-.61,;-.29,.16,;1.04,-.61,;1.44,-2.1,;2.93,-1.7,;4.26,-2.47,;5.59,-1.7,;6.93,-2.47,;6.93,-4.01,;8.26,-4.78,;9.59,-4.01,;10.93,-4.78,;12.26,-4.01,;12.26,-2.47,;10.93,-1.7,;9.59,-2.47,;8.26,-1.7,;2.53,-.21,;-4.29,-2.15,;-5.63,-2.92,;-2.96,-2.92,)|
OC[C@H](C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r,w:5.5,wU:2.2,12.12,wD:10.9,(-10.95,1.31,;-9.61,.54,;-8.28,1.31,;-6.94,.54,;-5.61,1.31,;-6.94,-1,;-5.61,-1.77,;-4.28,-1,;-2.94,-1.77,;-1.61,-1,;-.28,-1.77,;.12,-3.25,;1.61,-2.85,;2.94,-3.62,;4.28,-2.85,;5.61,-3.62,;5.61,-5.16,;6.94,-5.93,;8.28,-5.16,;9.61,-5.93,;10.95,-5.16,;10.95,-3.62,;9.61,-2.85,;8.28,-3.62,;6.94,-2.85,;1.21,-1.37,;-5.61,-3.31,;-6.94,-4.08,;-4.28,-4.08,;-8.28,2.85,;-6.94,3.62,;-6.94,5.16,;-8.28,5.93,;-9.61,5.16,;-9.61,3.62,)|
CCC(CC)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,wU:14.14,wD:12.11,(-10.95,2.47,;-9.61,1.7,;-8.28,2.47,;-8.28,4.01,;-9.61,4.78,;-6.94,1.7,;-5.61,2.47,;-6.94,.16,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-5.61,-2.15,;-6.94,-2.92,;-4.28,-2.92,)|
CCC(CC)CC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,wU:15.15,wD:13.12,(-7.61,5.55,;-7.61,4.01,;-8.95,3.24,;-10.28,4.01,;-10.28,5.55,;-8.95,1.7,;-7.61,.93,;-6.28,1.7,;-7.61,-.61,;-6.28,-1.38,;-4.94,-.61,;-3.61,-1.38,;-2.28,-.61,;-.94,-1.38,;-.54,-2.87,;.94,-2.47,;2.28,-3.24,;3.61,-2.47,;4.94,-3.24,;4.94,-4.78,;6.28,-5.55,;7.61,-4.78,;8.95,-5.55,;10.28,-4.78,;10.28,-3.24,;8.95,-2.47,;7.61,-3.24,;6.28,-2.47,;.54,-.98,;-6.28,-2.92,;-7.61,-3.69,;-4.94,-3.69,)|
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OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc2ncccc12 |r,wU:9.9,wD:7.6,(-6.94,-4.08,;-5.61,-3.31,;-4.28,-4.08,;-5.61,-1.77,;-4.28,-1,;-2.94,-1.77,;-1.61,-1,;-.28,-1.77,;.12,-3.25,;1.61,-2.85,;2.94,-3.62,;4.28,-2.85,;5.61,-3.62,;5.61,-5.16,;6.94,-5.93,;8.28,-5.16,;9.61,-5.93,;10.95,-5.16,;10.95,-3.62,;9.61,-2.85,;8.28,-3.62,;6.94,-2.85,;1.21,-1.37,;-6.94,-1,;-6.94,.54,;-5.61,1.31,;-8.28,1.31,;-9.61,.54,;-10.95,1.31,;-10.95,2.85,;-9.61,3.62,;-9.61,5.16,;-8.28,5.93,;-6.94,5.16,;-6.94,3.62,;-8.28,2.85,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1C1CC1 |r,wU:9.9,wD:7.6,(-6.94,-3.59,;-5.61,-2.82,;-4.28,-3.59,;-5.61,-1.28,;-4.28,-.51,;-2.94,-1.28,;-1.61,-.51,;-.28,-1.28,;.12,-2.76,;1.61,-2.37,;2.94,-3.14,;4.28,-2.37,;5.61,-3.14,;5.61,-4.68,;6.94,-5.45,;8.28,-4.68,;9.61,-5.45,;10.95,-4.68,;10.95,-3.14,;9.61,-2.37,;8.28,-3.14,;6.94,-2.37,;1.21,-.88,;-6.94,-.51,;-6.94,1.03,;-5.61,1.8,;-8.28,1.8,;-9.61,1.03,;-10.95,1.8,;-10.95,3.34,;-9.61,4.11,;-8.28,3.34,;-6.94,4.11,;-5.4,4.11,;-6.17,5.45,)|
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OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc2ncccc2c1 |r,wU:9.9,wD:7.6,(-6.28,-4.08,;-4.94,-3.31,;-3.61,-4.08,;-4.94,-1.77,;-3.61,-1,;-2.28,-1.77,;-.94,-1,;.39,-1.77,;.79,-3.25,;2.28,-2.85,;3.61,-3.62,;4.94,-2.85,;6.28,-3.62,;6.28,-5.16,;7.61,-5.93,;8.94,-5.16,;10.28,-5.93,;11.61,-5.16,;11.61,-3.62,;10.28,-2.85,;8.94,-3.62,;7.61,-2.85,;1.88,-1.37,;-6.28,-1,;-6.28,.54,;-4.94,1.31,;-7.61,1.31,;-8.94,.54,;-10.28,1.31,;-10.28,2.85,;-11.61,3.62,;-11.61,5.16,;-10.28,5.93,;-8.94,5.16,;-8.94,3.62,;-7.61,2.85,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc2cccnc12 |r,wU:9.9,wD:7.6,(-6.28,-2.92,;-4.94,-2.15,;-3.61,-2.92,;-4.94,-.61,;-3.61,.16,;-2.28,-.61,;-.94,.16,;.39,-.61,;.79,-2.1,;2.28,-1.7,;3.61,-2.47,;4.94,-1.7,;6.28,-2.47,;6.28,-4.01,;7.61,-4.78,;8.94,-4.01,;10.28,-4.78,;11.61,-4.01,;11.61,-2.47,;10.28,-1.7,;8.94,-2.47,;7.61,-1.7,;1.88,-.21,;-6.28,.16,;-6.28,1.7,;-4.94,2.47,;-7.61,2.47,;-7.61,4.01,;-8.94,4.78,;-10.28,4.01,;-10.28,2.47,;-11.61,1.7,;-11.61,.16,;-10.28,-.61,;-8.94,.16,;-8.94,1.7,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)C1CC1 |r,wU:9.9,wD:7.6,(-6.94,-4.36,;-5.61,-3.59,;-4.28,-4.36,;-5.61,-2.05,;-4.28,-1.28,;-2.94,-2.05,;-1.61,-1.28,;-.28,-2.05,;.12,-3.53,;1.61,-3.14,;2.94,-3.91,;4.28,-3.14,;5.61,-3.91,;5.61,-5.45,;6.94,-6.22,;8.28,-5.45,;9.61,-6.22,;10.95,-5.45,;10.95,-3.91,;9.61,-3.14,;8.28,-3.91,;6.94,-3.14,;1.21,-1.65,;-6.94,-1.28,;-6.94,.26,;-5.61,1.03,;-8.28,1.03,;-9.61,.26,;-10.95,1.03,;-10.95,2.57,;-9.61,3.34,;-8.28,2.57,;-9.61,4.88,;-8.84,6.22,;-10.38,6.22,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(cc1)C1CC1 |r,wU:9.9,wD:7.6,(-5.51,-3.59,;-4.17,-2.82,;-2.84,-3.59,;-4.17,-1.28,;-2.84,-.51,;-1.51,-1.28,;-.17,-.51,;1.16,-1.28,;1.56,-2.76,;3.05,-2.37,;4.38,-3.14,;5.71,-2.37,;7.05,-3.14,;7.05,-4.68,;8.38,-5.45,;9.72,-4.68,;11.05,-5.45,;12.38,-4.68,;12.38,-3.14,;11.05,-2.37,;9.72,-3.14,;8.38,-2.37,;2.65,-.88,;-5.51,-.51,;-5.51,1.03,;-4.17,1.8,;-6.84,1.8,;-8.18,1.03,;-9.51,1.8,;-9.51,3.34,;-8.18,4.11,;-6.84,3.34,;-10.84,4.11,;-11.61,5.45,;-12.38,4.11,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccncc1 |r,w:23.25,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-9.61,1.7,;-10.95,2.47,;-10.95,4.01,;-9.61,4.78,;-8.28,4.01,)|
CCC(CC)CC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:8.8,wU:15.15,wD:13.12,(-11.61,2.85,;-10.28,3.62,;-8.94,2.85,;-8.94,1.31,;-10.28,.54,;-7.61,3.62,;-6.28,2.85,;-4.94,3.62,;-6.28,1.31,;-4.94,.54,;-3.61,1.31,;-2.28,.54,;-.94,1.31,;.39,.54,;.79,-.94,;2.28,-.54,;3.61,-1.31,;4.94,-.54,;6.28,-1.31,;6.28,-2.85,;7.61,-3.62,;8.94,-2.85,;10.28,-3.62,;11.61,-2.85,;11.61,-1.31,;10.28,-.54,;8.94,-1.31,;7.61,-.54,;1.88,.94,;-4.94,-1,;-6.28,-1.77,;-3.61,-1.77,)|
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OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cncs1 |r,w:23.25,wU:9.9,wD:7.6,(-6.94,-4.88,;-5.61,-4.11,;-4.28,-4.88,;-5.61,-2.57,;-4.28,-1.8,;-2.94,-2.57,;-1.61,-1.8,;-.28,-2.57,;.12,-4.05,;1.61,-3.65,;2.94,-4.42,;4.28,-3.65,;5.61,-4.42,;5.61,-5.96,;6.94,-6.73,;8.28,-5.96,;9.61,-6.73,;10.95,-5.96,;10.95,-4.42,;9.61,-3.65,;8.28,-4.42,;6.94,-3.65,;1.21,-2.17,;-6.94,-1.8,;-6.94,-.26,;-5.61,.51,;-8.28,.51,;-9.61,-.26,;-10.95,.51,;-10.95,2.05,;-9.61,2.82,;-8.28,2.05,;-9.61,4.36,;-10.86,5.27,;-10.38,6.73,;-8.84,6.73,;-8.37,5.27,)|
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OC(=O)C(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccc(F)c(F)c1 |r,wU:7.6,9.9,(-6.28,-3.69,;-4.94,-2.92,;-3.61,-3.69,;-4.94,-1.38,;-3.61,-.61,;-2.28,-1.38,;-.94,-.61,;.39,-1.38,;.79,-2.87,;2.28,-2.47,;3.61,-3.24,;4.94,-2.47,;6.28,-3.24,;6.28,-4.78,;7.61,-5.55,;8.95,-4.78,;10.28,-5.55,;11.61,-4.78,;11.61,-3.24,;10.28,-2.47,;8.95,-3.24,;7.61,-2.47,;1.88,-.98,;-6.28,-.61,;-6.28,.93,;-4.94,1.7,;-7.61,1.7,;-8.95,.93,;-10.28,1.7,;-10.28,3.24,;-11.61,4.01,;-8.95,4.01,;-8.95,5.55,;-7.61,3.24,)|
CCC(CC)CC(=O)NC(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,wU:13.12,15.15,(-10.28,5.55,;-10.28,4.01,;-8.95,3.24,;-7.61,4.01,;-7.61,5.55,;-8.95,1.7,;-7.61,.93,;-6.28,1.7,;-7.61,-.61,;-6.28,-1.38,;-4.94,-.61,;-3.61,-1.38,;-2.28,-.61,;-.94,-1.38,;-.54,-2.87,;.94,-2.47,;2.28,-3.24,;3.61,-2.47,;4.94,-3.24,;4.94,-4.78,;6.28,-5.55,;7.61,-4.78,;8.95,-5.55,;10.28,-4.78,;10.28,-3.24,;8.95,-2.47,;7.61,-3.24,;6.28,-2.47,;.54,-.98,;-6.28,-2.92,;-7.61,-3.69,;-4.94,-3.69,)|
OC(=O)C(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccncc1 |r,wU:9.9,7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-8.28,2.47,;-8.28,4.01,;-9.61,4.78,;-10.95,4.01,;-10.95,2.47,;-9.61,1.7,)|
OC(=O)C(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1cccc(c1)-c1cncs1 |r,wU:9.9,7.6,(-6.94,-4.87,;-5.61,-4.1,;-4.28,-4.87,;-5.61,-2.56,;-4.28,-1.79,;-2.94,-2.56,;-1.61,-1.79,;-.28,-2.56,;.12,-4.05,;1.61,-3.65,;2.94,-4.42,;4.28,-3.65,;5.61,-4.42,;5.61,-5.96,;6.94,-6.73,;8.28,-5.96,;9.61,-6.73,;10.95,-5.96,;10.95,-4.42,;9.61,-3.65,;8.28,-4.42,;6.94,-3.65,;1.21,-2.17,;-6.94,-1.79,;-6.94,-.25,;-5.61,.52,;-8.28,.52,;-9.61,-.25,;-10.95,.52,;-10.95,2.06,;-9.61,2.83,;-8.28,2.06,;-9.61,4.36,;-10.86,5.27,;-10.38,6.73,;-8.84,6.73,;-8.37,5.27,)|
OC[C@H](C(=O)NC(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r,w:6.5,wU:12.12,10.9,2.2,(-10.95,1.31,;-9.61,.54,;-8.28,1.31,;-6.94,.54,;-5.61,1.31,;-6.94,-1,;-5.61,-1.77,;-4.28,-1,;-2.94,-1.77,;-1.61,-1,;-.28,-1.77,;.12,-3.25,;1.61,-2.85,;2.94,-3.62,;4.28,-2.85,;5.61,-3.62,;5.61,-5.16,;6.94,-5.93,;8.28,-5.16,;9.61,-5.93,;10.95,-5.16,;10.95,-3.62,;9.61,-2.85,;8.28,-3.62,;6.94,-2.85,;1.21,-1.37,;-5.61,-3.31,;-6.94,-4.08,;-4.28,-4.08,;-8.28,2.85,;-6.94,3.62,;-6.94,5.16,;-8.28,5.93,;-9.61,5.16,;-9.61,3.62,)|
Cn1cc(cn1)-c1cccc(c1)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,wU:21.23,wD:19.20,(-7.94,7.36,;-8.84,6.11,;-8.37,4.65,;-9.61,3.74,;-10.86,4.65,;-10.38,6.11,;-9.61,2.2,;-10.95,1.43,;-10.95,-.11,;-9.61,-.88,;-8.28,-.11,;-8.28,1.43,;-6.94,-.88,;-5.61,-.11,;-6.94,-2.42,;-5.61,-3.19,;-4.28,-2.42,;-2.94,-3.19,;-1.61,-2.42,;-.28,-3.19,;.12,-4.68,;1.61,-4.28,;2.94,-5.05,;4.28,-4.28,;5.61,-5.05,;5.61,-6.59,;6.94,-7.36,;8.28,-6.59,;9.61,-7.36,;10.95,-6.59,;10.95,-5.05,;9.61,-4.28,;8.28,-5.05,;6.94,-4.28,;1.21,-2.79,;-5.61,-4.73,;-4.28,-5.5,;-6.94,-5.5,)|
Cn1cc(cn1)-c1cccc(c1)C(=O)NC(CCOCCCCc1ccc2CCCNc2n1)C(O)=O
O[C@H](C(=O)NC(CCOCCCCc1ccc2CCCNc2n1)C(O)=O)c1ccccc1 |r,w:4.4|
O[C@@H](C(=O)NC(CCOCCCCc1ccc2CCCNc2n1)C(O)=O)c1ccccc1 |r,w:4.4|
O[C@H](C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r,w:5.4,wU:11.11,1.0,wD:9.8,(-10.28,.54,;-8.95,1.31,;-7.61,.54,;-6.28,1.31,;-7.61,-1,;-6.28,-1.77,;-4.94,-1,;-3.61,-1.77,;-2.28,-1,;-.94,-1.77,;-.54,-3.25,;.94,-2.85,;2.28,-3.62,;3.61,-2.85,;4.94,-3.62,;4.94,-5.16,;6.28,-5.93,;7.61,-5.16,;8.95,-5.93,;10.28,-5.16,;10.28,-3.62,;8.95,-2.85,;7.61,-3.62,;6.28,-2.85,;.54,-1.37,;-6.28,-3.31,;-4.94,-4.08,;-7.61,-4.08,;-8.95,2.85,;-7.61,3.62,;-7.61,5.16,;-8.95,5.93,;-10.28,5.16,;-10.28,3.62,)|
O[C@@H](C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r,w:5.4,wU:11.11,wD:9.8,1.0,(-10.28,.54,;-8.95,1.31,;-7.61,.54,;-6.28,1.31,;-7.61,-1,;-6.28,-1.77,;-4.94,-1,;-3.61,-1.77,;-2.28,-1,;-.94,-1.77,;-.54,-3.25,;.94,-2.85,;2.28,-3.62,;3.61,-2.85,;4.94,-3.62,;4.94,-5.16,;6.28,-5.93,;7.61,-5.16,;8.95,-5.93,;10.28,-5.16,;10.28,-3.62,;8.95,-2.85,;7.61,-3.62,;6.28,-2.85,;.54,-1.37,;-6.28,-3.31,;-4.94,-4.08,;-7.61,-4.08,;-8.95,2.85,;-7.61,3.62,;-7.61,5.16,;-8.95,5.93,;-10.28,5.16,;-10.28,3.62,)|
O[C@@H](C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r,w:5.4,wU:11.11,wD:9.8,1.0,(-10.28,.54,;-8.95,1.31,;-7.61,.54,;-6.28,1.31,;-7.61,-1,;-6.28,-1.77,;-4.94,-1,;-3.61,-1.77,;-2.28,-1,;-.94,-1.77,;-.54,-3.25,;.94,-2.85,;2.28,-3.62,;3.61,-2.85,;4.94,-3.62,;4.94,-5.16,;6.28,-5.93,;7.61,-5.16,;8.95,-5.93,;10.28,-5.16,;10.28,-3.62,;8.95,-2.85,;7.61,-3.62,;6.28,-2.85,;.54,-1.37,;-6.28,-3.31,;-7.61,-4.08,;-4.94,-4.08,;-8.95,2.85,;-7.61,3.62,;-7.61,5.16,;-8.95,5.93,;-10.28,5.16,;-10.28,3.62,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1(CC1)c1ccccc1 |r,w:3.25,wU:9.9,wD:7.6,(-6.28,-2.43,;-4.94,-1.66,;-3.61,-2.43,;-4.94,-.12,;-3.61,.65,;-2.28,-.12,;-.94,.65,;.39,-.12,;.79,-1.61,;2.28,-1.21,;3.61,-1.98,;4.94,-1.21,;6.28,-1.98,;6.28,-3.52,;7.61,-4.29,;8.95,-3.52,;10.28,-4.29,;11.61,-3.52,;11.61,-1.98,;10.28,-1.21,;8.95,-1.98,;7.61,-1.21,;1.88,.28,;-6.28,.65,;-6.28,2.19,;-4.94,2.96,;-7.61,2.96,;-6.84,4.29,;-8.38,4.29,;-8.95,2.19,;-10.28,2.96,;-11.61,2.19,;-11.61,.65,;-10.28,-.12,;-8.95,.65,)|
CC(C)(C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r,w:5.5,wU:12.12,wD:10.9,(-10.38,1.31,;-8.84,1.31,;-9.61,-.02,;-7.51,.54,;-6.17,1.31,;-7.51,-1,;-6.17,-1.77,;-4.84,-1,;-3.51,-1.77,;-2.17,-1,;-.84,-1.77,;-.44,-3.25,;1.05,-2.85,;2.38,-3.62,;3.71,-2.85,;5.05,-3.62,;5.05,-5.16,;6.38,-5.93,;7.71,-5.16,;9.05,-5.93,;10.38,-5.16,;10.38,-3.62,;9.05,-2.85,;7.71,-3.62,;6.38,-2.85,;.65,-1.37,;-6.17,-3.31,;-4.84,-4.08,;-7.51,-4.08,;-8.84,2.85,;-7.51,3.62,;-7.51,5.16,;-8.84,5.93,;-10.18,5.16,;-10.18,3.62,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1(CCC1)c1ccccc1 |r,w:23.25,wU:9.9,wD:7.6,(-2.94,-1.7,;-4.28,-.93,;-5.61,-1.7,;-4.28,.61,;-2.94,1.38,;-1.61,.61,;-.28,1.38,;1.06,.61,;1.46,-.88,;2.94,-.48,;4.28,-1.25,;5.61,-.48,;6.94,-1.25,;6.94,-2.79,;8.28,-3.56,;9.61,-2.79,;10.95,-3.56,;12.28,-2.79,;12.28,-1.25,;10.95,-.48,;9.61,-1.25,;8.28,-.48,;2.55,1.01,;-5.61,1.38,;-6.94,.61,;-6.94,-.93,;-8.28,1.38,;-7.19,2.47,;-8.28,3.56,;-9.37,2.47,;-9.61,.61,;-10.95,1.38,;-12.28,.61,;-12.28,-.93,;-10.95,-1.7,;-9.61,-.93,)|
CC(C)(Cc1ccccc1)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:12.13,wU:19.20,wD:17.17,(-8.38,2.65,;-7.61,1.31,;-6.84,2.65,;-8.95,.54,;-10.28,1.31,;-10.28,2.85,;-11.61,3.62,;-12.95,2.85,;-12.95,1.31,;-11.61,.54,;-6.28,.54,;-6.28,-1,;-4.94,1.31,;-3.61,.54,;-2.28,1.31,;-.94,.54,;.39,1.31,;1.72,.54,;2.12,-.94,;3.61,-.54,;4.94,-1.31,;6.28,-.54,;7.61,-1.31,;7.61,-2.85,;8.95,-3.62,;10.28,-2.85,;11.61,-3.62,;12.95,-2.85,;12.95,-1.31,;11.61,-.54,;10.28,-1.31,;8.95,-.54,;3.21,.94,;-3.61,-1,;-2.28,-1.77,;-4.94,-1.77,)|
CC(C)(C)OC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:7.7,wU:14.14,wD:12.11,(-10.95,3.62,;-9.61,2.85,;-10.95,2.08,;-9.61,1.31,;-8.28,3.62,;-6.94,2.85,;-5.61,3.62,;-6.94,1.31,;-5.61,.54,;-4.28,1.31,;-2.94,.54,;-1.61,1.31,;-.28,.54,;.12,-.94,;1.61,-.54,;2.94,-1.31,;4.28,-.54,;5.61,-1.31,;5.61,-2.85,;6.94,-3.62,;8.28,-2.85,;9.61,-3.62,;10.95,-2.85,;10.95,-1.31,;9.61,-.54,;8.28,-1.31,;6.94,-.54,;1.21,.94,;-5.61,-1,;-4.28,-1.77,;-6.94,-1.77,)|
CC(C)(C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccc(F)cc1 |r,w:5.5,wU:12.12,wD:10.9,(-8.38,3.14,;-7.61,1.8,;-6.84,3.14,;-6.28,1.03,;-6.28,-.51,;-4.94,1.8,;-3.61,1.03,;-2.28,1.8,;-.94,1.03,;.39,1.8,;1.72,1.03,;2.12,-.45,;3.61,-.06,;4.94,-.83,;6.28,-.06,;7.61,-.83,;7.61,-2.37,;8.95,-3.14,;10.28,-2.37,;11.61,-3.14,;12.95,-2.37,;12.95,-.83,;11.61,-.06,;10.28,-.83,;8.95,-.06,;3.21,1.43,;-3.61,-.51,;-2.28,-1.28,;-4.94,-1.28,;-8.95,1.03,;-10.28,1.8,;-11.61,1.03,;-11.61,-.51,;-12.95,-1.28,;-10.28,-1.28,;-8.95,-.51,)|
CC1(COC1)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:7.8,wU:14.15,wD:12.12,(-10.95,.61,;-9.61,1.38,;-8.52,2.47,;-9.61,3.56,;-10.7,2.47,;-8.28,.61,;-8.28,-.93,;-6.94,1.38,;-5.61,.61,;-4.28,1.38,;-2.94,.61,;-1.61,1.38,;-.28,.61,;.12,-.88,;1.61,-.48,;2.94,-1.25,;4.28,-.48,;5.61,-1.25,;5.61,-2.79,;6.94,-3.56,;8.28,-2.79,;9.61,-3.56,;10.95,-2.79,;10.95,-1.25,;9.61,-.48,;8.28,-1.25,;6.94,-.48,;1.21,1.01,;-5.61,-.93,;-4.28,-1.7,;-6.94,-1.7,)|
CC(C)(CO)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:7.7,wU:14.14,wD:12.11,(-9.72,3.14,;-8.95,1.8,;-8.18,3.14,;-10.28,1.03,;-11.61,1.8,;-7.61,1.03,;-7.61,-.51,;-6.28,1.8,;-4.94,1.03,;-3.61,1.8,;-2.28,1.03,;-.94,1.8,;.39,1.03,;.79,-.45,;2.28,-.06,;3.61,-.83,;4.94,-.06,;6.28,-.83,;6.28,-2.37,;7.61,-3.14,;8.95,-2.37,;10.28,-3.14,;11.61,-2.37,;11.61,-.83,;10.28,-.06,;8.95,-.83,;7.61,-.06,;1.88,1.43,;-4.94,-.51,;-3.61,-1.28,;-6.28,-1.28,)|
COCC(C)(C)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:8.8,wU:15.15,wD:13.12,(-12.28,1.03,;-10.95,1.8,;-9.61,1.03,;-8.28,1.8,;-9.05,3.14,;-7.51,3.14,;-6.94,1.03,;-6.94,-.51,;-5.61,1.8,;-4.28,1.03,;-2.94,1.8,;-1.61,1.03,;-.28,1.8,;1.06,1.03,;1.46,-.45,;2.94,-.06,;4.28,-.83,;5.61,-.06,;6.94,-.83,;6.94,-2.37,;8.28,-3.14,;9.61,-2.37,;10.95,-3.14,;12.28,-2.37,;12.28,-.83,;10.95,-.06,;9.61,-.83,;8.28,-.06,;2.55,1.43,;-4.28,-.51,;-2.94,-1.28,;-5.61,-1.28,)|
CC(C)(C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1cccnc1 |r,w:5.5,wU:12.12,wD:10.9,(-10.38,1.31,;-8.84,1.31,;-9.61,-.02,;-7.51,.54,;-6.17,1.31,;-7.51,-1,;-6.17,-1.77,;-4.84,-1,;-3.51,-1.77,;-2.17,-1,;-.84,-1.77,;-.44,-3.25,;1.05,-2.85,;2.38,-3.62,;3.71,-2.85,;5.05,-3.62,;5.05,-5.16,;6.38,-5.93,;7.71,-5.16,;9.05,-5.93,;10.38,-5.16,;10.38,-3.62,;9.05,-2.85,;7.71,-3.62,;6.38,-2.85,;.65,-1.37,;-6.17,-3.31,;-7.51,-4.08,;-4.84,-4.08,;-8.84,2.85,;-7.51,3.62,;-7.51,5.16,;-8.84,5.93,;-10.18,5.16,;-10.18,3.62,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1Cc2ccccc2C1 |r,w:23.25,wU:9.9,wD:7.6,(-5.9,-3.36,;-4.57,-2.59,;-3.24,-3.36,;-4.57,-1.05,;-3.24,-.28,;-1.9,-1.05,;-.57,-.28,;.76,-1.05,;1.16,-2.54,;2.65,-2.14,;3.98,-2.91,;5.32,-2.14,;6.65,-2.91,;6.65,-4.45,;7.98,-5.22,;9.32,-4.45,;10.65,-5.22,;11.99,-4.45,;11.99,-2.91,;10.65,-2.14,;9.32,-2.91,;7.98,-2.14,;2.25,-.65,;-5.9,-.28,;-5.9,1.26,;-4.57,2.03,;-7.24,2.03,;-8.65,1.41,;-9.68,2.55,;-11.22,2.55,;-11.99,3.88,;-11.22,5.22,;-9.68,5.22,;-8.91,3.88,;-7.4,3.56,)|
CC(C)(CC#N)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:8.8,wU:15.15,wD:13.12,(-8.38,4.29,;-7.61,2.96,;-6.84,4.29,;-8.94,2.19,;-10.28,2.96,;-11.61,3.73,;-6.28,2.19,;-4.94,2.96,;-6.28,.65,;-4.94,-.12,;-3.61,.65,;-2.28,-.12,;-.94,.65,;.39,-.12,;.79,-1.61,;2.28,-1.21,;3.61,-1.98,;4.94,-1.21,;6.28,-1.98,;6.28,-3.52,;7.61,-4.29,;8.94,-3.52,;10.28,-4.29,;11.61,-3.52,;11.61,-1.98,;10.28,-1.21,;8.94,-1.98,;7.61,-1.21,;1.88,.28,;-4.94,-1.66,;-6.28,-2.43,;-3.61,-2.43,)|
CC(C)(C)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:6.6,wU:13.13,wD:11.10,(-10.28,2.19,;-8.95,2.96,;-9.72,4.29,;-8.18,4.29,;-7.61,2.19,;-6.28,2.96,;-7.61,.65,;-6.28,-.12,;-4.94,.65,;-3.61,-.12,;-2.28,.65,;-.94,-.12,;-.54,-1.61,;.94,-1.21,;2.28,-1.98,;3.61,-1.21,;4.94,-1.98,;4.94,-3.52,;6.28,-4.29,;7.61,-3.52,;8.95,-4.29,;10.28,-3.52,;10.28,-1.98,;8.95,-1.21,;7.61,-1.98,;6.28,-1.21,;.54,.28,;-6.28,-1.66,;-7.61,-2.43,;-4.94,-2.43,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCc2ccccc12 |r,w:23.25,24.28,wU:9.9,wD:7.6,(-6.15,-2.6,;-4.81,-1.83,;-3.48,-2.6,;-4.81,-.29,;-3.48,.48,;-2.15,-.29,;-.81,.48,;.52,-.29,;.92,-1.78,;2.41,-1.38,;3.74,-2.15,;5.08,-1.38,;6.41,-2.15,;6.41,-3.69,;7.74,-4.46,;9.08,-3.69,;10.41,-4.46,;11.74,-3.69,;11.74,-2.15,;10.41,-1.38,;9.08,-2.15,;7.74,-1.38,;2.01,.11,;-6.15,.48,;-6.15,2.02,;-4.81,2.79,;-7.48,2.79,;-7.8,4.3,;-9.33,4.46,;-9.96,3.05,;-11.42,2.58,;-11.74,1.07,;-10.6,.04,;-9.13,.51,;-8.81,2.02,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1(CC1)c1ccccc1 |r,w:23.25,wU:9.9,wD:7.6,(-6.28,-2.43,;-4.94,-1.66,;-3.61,-2.43,;-4.94,-.12,;-3.61,.65,;-2.28,-.12,;-.94,.65,;.39,-.12,;.79,-1.61,;2.28,-1.21,;3.61,-1.98,;4.94,-1.21,;6.28,-1.98,;6.28,-3.52,;7.61,-4.29,;8.95,-3.52,;10.28,-4.29,;11.61,-3.52,;11.61,-1.98,;10.28,-1.21,;8.95,-1.98,;7.61,-1.21,;1.88,.28,;-6.28,.65,;-6.28,2.19,;-4.94,2.96,;-7.61,2.96,;-6.84,4.29,;-8.38,4.29,;-8.95,2.19,;-10.28,2.96,;-11.61,2.19,;-11.61,.65,;-10.28,-.12,;-8.95,.65,)|
CC(C)(C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccccc1 |r,w:5.5,wU:12.12,wD:10.9,(-6.52,4.17,;-7.61,3.08,;-8.7,4.17,;-6.28,2.31,;-4.94,3.08,;-6.28,.77,;-4.94,,;-3.61,.77,;-2.28,,;-.94,.77,;.39,,;.79,-1.49,;2.28,-1.09,;3.61,-1.86,;4.94,-1.09,;6.28,-1.86,;6.28,-3.4,;7.61,-4.17,;8.94,-3.4,;10.28,-4.17,;11.61,-3.4,;11.61,-1.86,;10.28,-1.09,;8.94,-1.86,;7.61,-1.09,;1.88,.4,;-4.94,-1.54,;-6.28,-2.31,;-3.61,-2.31,;-8.94,2.31,;-10.28,3.08,;-11.61,2.31,;-11.61,.77,;-10.28,,;-8.94,.77,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1(CCC1)c1ccccc1 |r,w:23.25,wU:9.9,wD:7.6,(-6.28,-2.85,;-4.94,-2.08,;-3.61,-2.85,;-4.94,-.54,;-3.61,.23,;-2.28,-.54,;-.94,.23,;.39,-.54,;.79,-2.03,;2.28,-1.63,;3.61,-2.4,;4.94,-1.63,;6.28,-2.4,;6.28,-3.94,;7.61,-4.71,;8.94,-3.94,;10.28,-4.71,;11.61,-3.94,;11.61,-2.4,;10.28,-1.63,;8.94,-2.4,;7.61,-1.63,;1.88,-.15,;-6.28,.23,;-6.28,1.77,;-4.94,2.54,;-7.61,2.54,;-6.52,3.62,;-7.61,4.71,;-8.7,3.62,;-8.94,1.77,;-10.28,2.54,;-11.61,1.77,;-11.61,.23,;-10.28,-.54,;-8.94,.23,)|
CC(C)(Cc1ccccc1)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:12.13,wU:19.20,wD:17.17,(-7.71,3.8,;-6.94,2.47,;-6.17,3.8,;-8.28,1.7,;-9.61,2.47,;-9.61,4.01,;-10.95,4.78,;-12.28,4.01,;-12.28,2.47,;-10.95,1.7,;-5.61,1.7,;-4.28,2.47,;-5.61,.16,;-4.28,-.61,;-2.94,.16,;-1.61,-.61,;-.28,.16,;1.06,-.61,;1.46,-2.1,;2.94,-1.7,;4.28,-2.47,;5.61,-1.7,;6.94,-2.47,;6.94,-4.01,;8.28,-4.78,;9.61,-4.01,;10.95,-4.78,;12.28,-4.01,;12.28,-2.47,;10.95,-1.7,;9.61,-2.47,;8.28,-1.7,;2.55,-.21,;-4.28,-2.15,;-5.61,-2.92,;-2.94,-2.92,)|
CC(C)(C)OC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:7.7,wU:14.14,wD:12.11,(-10.28,4.39,;-8.95,3.62,;-7.61,4.39,;-8.95,5.16,;-8.95,2.08,;-7.61,1.31,;-6.28,2.08,;-7.61,-.23,;-6.28,-1,;-4.94,-.23,;-3.61,-1,;-2.28,-.23,;-.94,-1,;-.54,-2.48,;.94,-2.08,;2.28,-2.85,;3.61,-2.08,;4.94,-2.85,;4.94,-4.39,;6.28,-5.16,;7.61,-4.39,;8.95,-5.16,;10.28,-4.39,;10.28,-2.85,;8.95,-2.08,;7.61,-2.85,;6.28,-2.08,;.54,-.6,;-6.28,-2.54,;-7.61,-3.31,;-4.94,-3.31,)|
CC(C)(C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1ccc(F)cc1 |r,w:5.5,wU:12.12,wD:10.9,(-7.71,4.29,;-6.94,2.96,;-6.17,4.29,;-5.61,2.19,;-4.28,2.96,;-5.61,.65,;-4.28,-.12,;-2.94,.65,;-1.61,-.12,;-.28,.65,;1.06,-.12,;1.46,-1.61,;2.94,-1.21,;4.28,-1.98,;5.61,-1.21,;6.94,-1.98,;6.94,-3.52,;8.28,-4.29,;9.61,-3.52,;10.95,-4.29,;12.28,-3.52,;12.28,-1.98,;10.95,-1.21,;9.61,-1.98,;8.28,-1.21,;2.55,.28,;-4.28,-1.66,;-5.61,-2.43,;-2.94,-2.43,;-8.28,2.19,;-9.61,2.96,;-10.95,2.19,;-10.95,.65,;-12.28,-.12,;-9.61,-.12,;-8.28,.65,)|
CC1(COC1)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:7.8,wU:14.15,wD:12.12,(-10.28,1.77,;-8.95,2.54,;-10.03,3.62,;-8.95,4.71,;-7.86,3.62,;-7.61,1.77,;-6.28,2.54,;-7.61,.23,;-6.28,-.54,;-4.94,.23,;-3.61,-.54,;-2.28,.23,;-.94,-.54,;-.54,-2.03,;.94,-1.63,;2.28,-2.4,;3.61,-1.63,;4.94,-2.4,;4.94,-3.94,;6.28,-4.71,;7.61,-3.94,;8.95,-4.71,;10.28,-3.94,;10.28,-2.4,;8.95,-1.63,;7.61,-2.4,;6.28,-1.63,;.54,-.15,;-6.28,-2.08,;-7.61,-2.85,;-4.94,-2.85,)|
CC(C)(CO)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:7.7,wU:14.14,wD:12.11,(-9.05,4.29,;-8.28,2.96,;-7.51,4.29,;-9.61,2.19,;-10.95,2.96,;-6.94,2.19,;-5.61,2.96,;-6.94,.65,;-5.61,-.12,;-4.28,.65,;-2.94,-.12,;-1.61,.65,;-.28,-.12,;.12,-1.61,;1.61,-1.21,;2.94,-1.98,;4.28,-1.21,;5.61,-1.98,;5.61,-3.52,;6.94,-4.29,;8.28,-3.52,;9.61,-4.29,;10.95,-3.52,;10.95,-1.98,;9.61,-1.21,;8.28,-1.98,;6.94,-1.21,;1.21,.28,;-5.61,-1.66,;-6.94,-2.43,;-4.28,-2.43,)|
COCC(C)(C)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:8.8,wU:15.15,wD:13.12,(-11.61,2.19,;-10.28,2.96,;-8.95,2.19,;-7.61,2.96,;-8.38,4.29,;-6.84,4.29,;-6.28,2.19,;-4.94,2.96,;-6.28,.65,;-4.94,-.12,;-3.61,.65,;-2.28,-.12,;-.94,.65,;.39,-.12,;.79,-1.61,;2.28,-1.21,;3.61,-1.98,;4.94,-1.21,;6.28,-1.98,;6.28,-3.52,;7.61,-4.29,;8.95,-3.52,;10.28,-4.29,;11.61,-3.52,;11.61,-1.98,;10.28,-1.21,;8.95,-1.98,;7.61,-1.21,;1.88,.28,;-4.94,-1.66,;-6.28,-2.43,;-3.61,-2.43,)|
CC(C)(C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)c1cccnc1 |r,w:5.5,wU:12.12,wD:10.9,(-8.38,4.29,;-7.61,2.96,;-6.84,4.29,;-6.28,2.19,;-4.94,2.96,;-6.28,.65,;-4.94,-.12,;-3.61,.65,;-2.28,-.12,;-.94,.65,;.39,-.12,;.79,-1.61,;2.28,-1.21,;3.61,-1.98,;4.94,-1.21,;6.28,-1.98,;6.28,-3.52,;7.61,-4.29,;8.94,-3.52,;10.28,-4.29,;11.61,-3.52,;11.61,-1.98,;10.28,-1.21,;8.94,-1.98,;7.61,-1.21,;1.88,.28,;-4.94,-1.66,;-6.28,-2.43,;-3.61,-2.43,;-8.94,2.19,;-8.94,.65,;-10.28,-.12,;-11.61,.65,;-11.61,2.19,;-10.28,2.96,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1Cc2ccccc2C1 |r,w:23.25,wU:9.9,wD:7.6,(-5.9,-3.36,;-4.57,-2.59,;-3.24,-3.36,;-4.57,-1.05,;-3.24,-.28,;-1.9,-1.05,;-.57,-.28,;.76,-1.05,;1.16,-2.54,;2.65,-2.14,;3.98,-2.91,;5.32,-2.14,;6.65,-2.91,;6.65,-4.45,;7.98,-5.22,;9.32,-4.45,;10.65,-5.22,;11.99,-4.45,;11.99,-2.91,;10.65,-2.14,;9.32,-2.91,;7.98,-2.14,;2.25,-.65,;-5.9,-.28,;-5.9,1.26,;-4.57,2.03,;-7.24,2.03,;-7.4,3.56,;-8.91,3.88,;-9.68,5.22,;-11.22,5.22,;-11.99,3.88,;-11.22,2.55,;-9.68,2.55,;-8.64,1.41,)|
CC(C)(C)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:6.6,wU:13.13,wD:11.10,(-10.28,2.08,;-8.95,2.85,;-8.95,4.39,;-10.28,3.62,;-7.61,2.08,;-6.28,2.85,;-7.61,.54,;-6.28,-.23,;-4.94,.54,;-3.61,-.23,;-2.28,.54,;-.94,-.23,;-.54,-1.71,;.94,-1.31,;2.28,-2.08,;3.61,-1.31,;4.94,-2.08,;4.94,-3.62,;6.28,-4.39,;7.61,-3.62,;8.95,-4.39,;10.28,-3.62,;10.28,-2.08,;8.95,-1.31,;7.61,-2.08,;6.28,-1.31,;.54,.17,;-6.28,-1.77,;-7.61,-2.54,;-4.94,-2.54,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCc2ccccc12 |r,w:26.28,23.25,wU:9.9,wD:7.6,(-6.07,-2.69,;-4.73,-1.92,;-3.4,-2.69,;-4.73,-.38,;-3.4,.39,;-2.07,-.38,;-.73,.39,;.6,-.38,;1,-1.87,;2.49,-1.47,;3.82,-2.24,;5.15,-1.47,;6.49,-2.24,;6.49,-3.78,;7.82,-4.55,;9.15,-3.78,;10.49,-4.55,;11.82,-3.78,;11.82,-2.24,;10.49,-1.47,;9.15,-2.24,;7.82,-1.47,;2.09,.02,;-6.07,.39,;-6.07,1.93,;-4.73,2.7,;-7.4,2.7,;-7.56,4.23,;-9.07,4.55,;-9.84,3.22,;-11.35,2.9,;-11.82,1.43,;-10.79,.29,;-9.28,.61,;-8.81,2.07,)|
CC(C)(C)COC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:8.8,wU:15.15,wD:13.12,(-11.54,2.08,;-10.2,2.85,;-10.2,4.39,;-11.69,3.25,;-8.87,2.08,;-7.53,2.85,;-6.2,2.08,;-4.87,2.85,;-6.2,.54,;-4.87,-.23,;-3.53,.54,;-2.2,-.23,;-.87,.54,;.47,-.23,;.87,-1.71,;2.35,-1.31,;3.69,-2.08,;5.02,-1.31,;6.35,-2.08,;6.35,-3.62,;7.69,-4.39,;9.02,-3.62,;10.36,-4.39,;11.69,-3.62,;11.69,-2.08,;10.36,-1.31,;9.02,-2.08,;7.69,-1.31,;1.95,.17,;-4.87,-1.77,;-6.2,-2.54,;-3.53,-2.54,)|
CC1(CC1)OC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:7.8,wU:14.15,wD:12.12,(-10.28,3.91,;-9.51,2.57,;-11.05,2.57,;-10.28,1.24,;-8.18,3.34,;-6.84,2.57,;-5.51,3.34,;-6.84,1.03,;-5.51,.26,;-4.17,1.03,;-2.84,.26,;-1.51,1.03,;-.17,.26,;.23,-1.22,;1.71,-.83,;3.05,-1.6,;4.38,-.83,;5.71,-1.6,;5.71,-3.14,;7.05,-3.91,;8.38,-3.14,;9.72,-3.91,;11.05,-3.14,;11.05,-1.6,;9.72,-.83,;8.38,-1.6,;7.05,-.83,;1.31,.66,;-5.51,-1.28,;-6.84,-2.05,;-4.17,-2.05,)|
CC1(CCC1)OC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:8.9,wU:15.16,wD:13.13,(-10.3,3.91,;-9.53,2.57,;-11.02,2.17,;-10.62,.69,;-9.14,1.09,;-8.2,3.34,;-6.87,2.57,;-5.53,3.34,;-6.87,1.03,;-5.53,.26,;-4.2,1.03,;-2.87,.26,;-1.53,1.03,;-.2,.26,;.2,-1.22,;1.69,-.83,;3.02,-1.6,;4.35,-.83,;5.69,-1.6,;5.69,-3.14,;7.02,-3.91,;8.36,-3.14,;9.69,-3.91,;11.02,-3.14,;11.02,-1.6,;9.69,-.83,;8.36,-1.6,;7.02,-.83,;1.29,.66,;-5.53,-1.28,;-6.87,-2.05,;-4.2,-2.05,)|
CC(C)(OC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O)C(F)(F)F |r,w:6.6,wU:13.13,wD:11.10,(-9.72,.75,;-8.95,2.08,;-8.18,.75,;-7.61,2.85,;-6.28,2.08,;-4.94,2.85,;-6.28,.54,;-4.94,-.23,;-3.61,.54,;-2.28,-.23,;-.94,.54,;.39,-.23,;.79,-1.71,;2.28,-1.31,;3.61,-2.08,;4.94,-1.31,;6.28,-2.08,;6.28,-3.62,;7.61,-4.39,;8.95,-3.62,;10.28,-4.39,;11.61,-3.62,;11.61,-2.08,;10.28,-1.31,;8.95,-2.08,;7.61,-1.31,;1.88,.17,;-4.94,-1.77,;-6.28,-2.54,;-3.61,-2.54,;-10.28,2.85,;-11.61,2.08,;-10.28,4.39,;-10.28,1.31,)|
CC(C)OC(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:6.6,wU:13.13,wD:11.10,(-10.95,3.62,;-9.61,2.85,;-9.61,1.31,;-8.28,3.62,;-6.94,2.85,;-5.61,3.62,;-6.94,1.31,;-5.61,.54,;-4.28,1.31,;-2.94,.54,;-1.61,1.31,;-.28,.54,;.12,-.94,;1.61,-.54,;2.94,-1.31,;4.28,-.54,;5.61,-1.31,;5.61,-2.85,;6.94,-3.62,;8.28,-2.85,;9.61,-3.62,;10.95,-2.85,;10.95,-1.31,;9.61,-.54,;8.28,-1.31,;6.94,-.54,;1.21,.94,;-5.61,-1,;-6.94,-1.77,;-4.28,-1.77,)|
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OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCCC(F)(F)C1 |r,w:3.25,wU:9.9,wD:7.6,(-6.94,-3.59,;-5.61,-2.82,;-4.28,-3.59,;-5.61,-1.28,;-4.28,-.51,;-2.94,-1.28,;-1.61,-.51,;-.28,-1.28,;.12,-2.76,;1.61,-2.37,;2.94,-3.14,;4.28,-2.37,;5.61,-3.14,;5.61,-4.68,;6.94,-5.45,;8.28,-4.68,;9.61,-5.45,;10.95,-4.68,;10.95,-3.14,;9.61,-2.37,;8.28,-3.14,;6.94,-2.37,;1.21,-.88,;-6.94,-.51,;-6.94,1.03,;-5.61,1.8,;-8.28,1.8,;-9.61,1.03,;-10.95,1.8,;-10.95,3.34,;-9.61,4.11,;-10.38,5.45,;-8.84,5.45,;-8.28,3.34,)|
CCC(CC(F)F)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:10.9,2.2,wU:16.16,wD:14.13,(-10.95,1.7,;-9.61,.93,;-8.28,1.7,;-8.28,3.24,;-9.61,4.01,;-10.95,3.24,;-9.61,5.55,;-6.94,.93,;-5.61,1.7,;-6.94,-.61,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-5.61,-2.92,;-4.28,-3.69,;-6.94,-3.69,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)O[C@H]1CCCC[C@@H]1C#Cc1ccccc1 |r,w:3.25,wU:9.9,32.36,wD:7.6,27.29,(-1.61,-4.08,;-2.94,-3.31,;-4.28,-4.08,;-2.94,-1.77,;-1.61,-1,;-.28,-1.77,;1.06,-1,;2.39,-1.77,;2.79,-3.25,;4.28,-2.85,;5.61,-3.62,;6.94,-2.85,;8.28,-3.62,;8.28,-5.16,;9.61,-5.93,;10.95,-5.16,;12.28,-5.93,;13.61,-5.16,;13.61,-3.62,;12.28,-2.85,;10.95,-3.62,;9.61,-2.85,;3.88,-1.37,;-4.28,-1,;-4.28,.54,;-2.94,1.31,;-5.61,1.31,;-5.61,2.85,;-4.28,3.62,;-4.28,5.16,;-5.61,5.93,;-6.95,5.16,;-6.95,3.62,;-8.28,2.85,;-9.61,2.08,;-10.95,1.31,;-12.28,2.08,;-13.61,1.31,;-13.61,-.23,;-12.28,-.99,;-10.95,-.23,)|
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CC1(CCOCC1)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:10.10,wU:16.17,wD:14.14,(-8.28,.93,;-8.28,2.47,;-9.61,1.7,;-10.95,2.47,;-10.95,4.01,;-9.61,4.78,;-8.28,4.01,;-6.94,1.7,;-5.61,2.47,;-6.94,.16,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-5.61,-2.15,;-6.94,-2.92,;-4.28,-2.92,)|
CC(C)(C1CCCCC1)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:12.12,wU:18.19,wD:16.16,(-10.38,1.31,;-8.84,1.31,;-9.61,-.02,;-8.84,2.85,;-7.51,3.62,;-7.51,5.16,;-8.84,5.93,;-10.18,5.16,;-10.18,3.62,;-7.51,.54,;-6.17,1.31,;-7.51,-1,;-6.17,-1.77,;-4.84,-1,;-3.51,-1.77,;-2.17,-1,;-.84,-1.77,;-.44,-3.25,;1.05,-2.85,;2.38,-3.62,;3.71,-2.85,;5.05,-3.62,;5.05,-5.16,;6.38,-5.93,;7.71,-5.16,;9.05,-5.93,;10.38,-5.16,;10.38,-3.62,;9.05,-2.85,;7.71,-3.62,;6.38,-2.85,;.65,-1.37,;-6.17,-3.31,;-4.84,-4.08,;-7.51,-4.08,)|
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OC(=O)[C@@H](CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)[C@H]1CCc2cn[nH]c2C1 |r,wU:9.9,wD:3.25,7.6,26.28,(-5.76,-2.92,;-4.43,-2.15,;-3.09,-2.92,;-4.43,-.61,;-3.09,.16,;-1.76,-.61,;-.43,.16,;.91,-.61,;1.31,-2.1,;2.79,-1.7,;4.13,-2.47,;5.46,-1.7,;6.8,-2.47,;6.8,-4.01,;8.13,-4.78,;9.46,-4.01,;10.8,-4.78,;12.13,-4.01,;12.13,-2.47,;10.8,-1.7,;9.46,-2.47,;8.13,-1.7,;2.4,-.21,;-5.76,.16,;-5.76,1.7,;-4.43,2.47,;-7.09,2.47,;-7.09,4.01,;-8.43,4.78,;-9.76,4.01,;-11.23,4.49,;-12.13,3.24,;-11.23,1.99,;-9.76,2.47,;-8.43,1.7,)|
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CC1(CCOCC1)C(=O)NC(CCOCCCCc1ccc2CCCNc2n1)C(O)=O
OC(=O)C(CCOCCCCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl
OC(=O)C(CCOCCCCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cncc1Cl
CC(C)(C)c1ccc(cc1)C1(CCC1)C(=O)NC(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:16.18,wU:23.25,wD:21.22,(-12.95,-1.31,;-11.61,-.54,;-11.61,-2.08,;-12.95,.23,;-10.28,.23,;-10.28,1.77,;-8.95,2.54,;-7.61,1.77,;-7.61,.23,;-8.95,-.54,;-6.28,2.54,;-5.19,3.62,;-6.28,4.71,;-7.37,3.62,;-4.94,1.77,;-3.61,2.54,;-4.94,.23,;-3.61,-.54,;-2.28,.23,;-.94,-.54,;.39,.23,;1.72,-.54,;2.12,-2.03,;3.61,-1.63,;4.94,-2.4,;6.28,-1.63,;7.61,-2.4,;7.61,-3.94,;8.95,-4.71,;10.28,-3.94,;11.61,-4.71,;12.95,-3.94,;12.95,-2.4,;11.61,-1.63,;10.28,-2.4,;8.95,-1.63,;3.21,-.15,;-3.61,-2.08,;-4.94,-2.85,;-2.28,-2.85,)|
Cc1cncc(Cl)c1C(=O)NC(CCO[C@@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:10.11,wU:15.15,17.18,(-6.94,4.78,;-8.28,4.01,;-9.61,4.78,;-10.95,4.01,;-10.95,2.47,;-9.61,1.7,;-9.61,.16,;-8.28,2.47,;-6.94,1.7,;-5.61,2.47,;-6.94,.16,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-5.61,-2.15,;-6.94,-2.92,;-4.28,-2.92,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)Nc1ncnc2ccccc12 |r,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-5.61,4.01,;-6.94,4.78,;-8.28,4.01,;-9.61,4.78,;-10.95,4.01,;-10.95,2.47,;-9.61,1.7,;-8.28,2.47,)|
CC(C)(C)c1nccc(NC(CCO[C@H]2C[C@H](CCc3ccc4CCCNc4n3)C2)C(O)=O)n1 |r,w:10.9,wU:16.16,wD:14.13,(-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-10.95,4.78,;-8.28,3.24,;-6.94,4.01,;-5.61,3.24,;-5.61,1.7,;-6.94,.93,;-6.94,-.61,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-5.61,-2.92,;-6.94,-3.69,;-4.28,-3.69,;-8.28,1.7,)|
CC(C)(C)c1ccnc(NC(CCO[C@H]2C[C@H](CCc3ccc4CCCNc4n3)C2)C(O)=O)n1 |r,w:10.9,wU:16.16,wD:14.13,(-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-10.95,4.78,;-8.28,3.24,;-6.94,4.01,;-5.61,3.24,;-5.61,1.7,;-6.94,.93,;-6.94,-.61,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-5.61,-2.92,;-6.94,-3.69,;-4.28,-3.69,;-8.28,1.7,)|
OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3cccnc3n2)C1)Nc1ncnc2ccccc12 |r,w:3.25,wU:9.9,wD:7.6,(-6.94,-2.92,;-5.61,-2.15,;-4.28,-2.92,;-5.61,-.61,;-4.28,.16,;-2.94,-.61,;-1.61,.16,;-.28,-.61,;.12,-2.1,;1.61,-1.7,;2.94,-2.47,;4.28,-1.7,;5.61,-2.47,;5.61,-4.01,;6.94,-4.78,;8.28,-4.01,;9.61,-4.78,;10.95,-4.01,;10.95,-2.47,;9.61,-1.7,;8.28,-2.47,;6.94,-1.7,;1.21,-.21,;-6.94,.16,;-6.94,1.7,;-5.61,2.47,;-5.61,4.01,;-6.94,4.78,;-8.28,4.01,;-9.61,4.78,;-10.95,4.01,;-10.95,2.47,;-9.61,1.7,;-8.28,2.47,)|
CC(C)(C)c1cc(NC(CCO[C@H]2C[C@H](CCc3ccc4CCCNc4n3)C2)C(O)=O)ncn1 |r,w:8.7,wU:14.14,wD:12.11,(-10.95,3.24,;-9.61,4.01,;-9.61,5.55,;-10.95,4.78,;-8.28,3.24,;-8.28,1.7,;-6.94,.93,;-6.94,-.61,;-5.61,-1.38,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;.12,-2.87,;1.61,-2.47,;2.94,-3.24,;4.28,-2.47,;5.61,-3.24,;5.61,-4.78,;6.94,-5.55,;8.28,-4.78,;9.61,-5.55,;10.95,-4.78,;10.95,-3.24,;9.61,-2.47,;8.28,-3.24,;6.94,-2.47,;1.21,-.98,;-5.61,-2.92,;-6.94,-3.69,;-4.28,-3.69,;-5.61,1.7,;-5.61,3.24,;-6.94,4.01,)|
CC1(CCOCC1)C(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
CS(=O)(=O)CCCC(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
COCCCC(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
CC(C)(C)OC(=O)N1CC(C)(C1)OC(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)C1CCNCC1
CC(=O)N1CCC(CC1)C(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
CS(=O)(=O)N1CCC[C@H](C1)C(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
NS(=O)(=O)CCC(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
CS(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)C1(CCOCC1)C(F)(F)F
OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)C1CC2CCC(C1)O2
CC1(CCCCC1)C(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)C12CC(C1)C2
OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)[C@H]1CCOc2ccccc12
C[C@]1(CCCOC1)C(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)C1CC1)Nc1cc(ncn1)C(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)C1CC1)Nc1ccncn1
CC(C)(O)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccncn1)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)C1CC1)Nc1ncnc2ccccc12
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cc(F)ccc12)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ncnc2ccccc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)C1CC(F)(F)C1)Nc1ncnc2ccccc12
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2ccccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ncccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cc(ccc12)C(F)(F)F)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(nc2ccccc12)C(F)(F)F)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(cccc12)C(F)(F)F)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cnccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccc(F)c12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccc(F)cc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(F)cccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cc(F)c(F)cc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(nc(C)n1)C(F)(F)F)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)C(F)F)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O
CO[C@@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(C)nc(n1)C(F)(F)F)C(O)=O
CS(=O)(=O)CCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncnc2ccccc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCC(F)F)Nc1ncnc2ccccc12
OC(=O)[C@H](CCN(CCCF)CCCCc1ccc2CCCNc2n1)Nc1ncnc2ccccc12
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O
Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CC2CC(F)(F)C2)C(O)=O)c2ccc(F)cc2n1
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nccc2ccccc12)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOC(F)F)Nc1ncnc2ccccc12
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc2ccccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cc(Cl)ccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2c(Cl)cccc12)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)(F)F)Nc1ncnc2ccccc12
Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CCOc2ccc(F)cc2)C(O)=O)c2ccc(F)cc2n1
COc1ccc2c(N[C@@H](CCN(CCCF)CCCCc3ccc4CCCNc4n3)C(O)=O)ncnc2c1
Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CCOC2CC2(F)F)C(O)=O)c2ccc(F)cc2n1
COc1cccc2c(N[C@@H](CCN(CCCF)CCCCc3ccc4CCCNc4n3)C(O)=O)ncnc12
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-n1cccn1)C(O)=O
Cc1cc(C)n(CCN(CCCCc2ccc3CCCNc3n2)CC[C@H](Nc2ncnc3ccccc23)C(O)=O)n1
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2ccccc12)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1cc(F)cc(F)c1)Nc1ncnc2ccccc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2c(Cl)cccc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccn1)Nc1ncnc2ccccc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)F)Nc1ncnc2ccccc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOCC(F)(F)F)Nc1ncnc2cccnc12
Cc1ncccc1OCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CCOc2cccnc2C)C(O)=O)c2ccc(F)cc2n1
Cc1ncccc1OCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cccnc12)C(O)=O
CCOCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
Cc1ccc(OCCN(CCCCc2ccc3CCCNc3n2)CC[C@H](Nc2nc(C)nc3cc(F)ccc23)C(O)=O)cn1
Cc1ccc(OCCN(CCCCc2ccc3CCCNc3n2)CC[C@H](Nc2ncnc3cccnc23)C(O)=O)cn1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1cncc(F)c1)Nc1ncnc2ccccc12
Cc1ccc(OCCN(CCCCc2ccc3CCCNc3n2)CC[C@H](Nc2ncnc3ccccc23)C(O)=O)cn1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1cncc(F)c1)Nc1ncnc2cccnc12
Cc1nc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CCOc2cncc(F)c2)C(O)=O)c2ccc(F)cc2n1
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
CC(=O)NCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
CN(C)C(=O)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(F)ccc12)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2ccccc12)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nccnc1C#N)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C#N)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C(F)(F)F)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(Br)cn1)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2[nH]ncc12)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)-c1ccccc1)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2n(C)ncc12)C(O)=O
OCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nccnc1C#N)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-n1cccn1)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(F)cn1)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2cn[nH]c12)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-c1ccccc1)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncncc1-c1ccccc1)C(O)=O |r|
Cn1ncc2c(N[C@@H](CCN(CCCCc3ccc4CCCNc4n3)CCOc3ccccc3)C(O)=O)ncnc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncc(Br)cn1
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C#N)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C(F)(F)F)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(Br)cn1)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O
Cn1ncc2c(N[C@@H](CCN(CCCCc3ccc4CCCNc4n3)CC(F)F)C(O)=O)ncnc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncc(cn1)C(F)(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncnc2[nH]ncc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1cc(ncn1)-n1cccn1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ccnc(n1)C(F)(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1cc(ncn1)-c1ccccc1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ncc(cn1)C(F)(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ncc(Br)cn1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ccnc(n1)C(F)(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1cc(ncn1)-n1cccn1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1nc(nc2ccccc12)-c1cccnc1
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(nc2ccccc12)-c1cccnc1)C(O)=O
Cn1ncc2c(N[C@@H](CCN(CCCCc3ccc4CCCNc4n3)CCS(C)(=O)=O)C(O)=O)ncnc12
CS(=O)(=O)CCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C(F)(F)F)C(O)=O
CS(=O)(=O)CCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(Br)cn1)C(O)=O
CS(=O)(=O)CCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2n(C)ncc12)C(O)=O
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccncn1)C(O)=O
CS(=O)(=O)CCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(nc2ccccc12)-c1cccnc1)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-n1cccn1)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(nc2ccccc12)-c1cccnc1)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncncc1-c1ccccc1)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncc(cn1)C#N
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ncnc2[nH]ncc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)C1CC1)Nc1ncc(cn1)C(F)(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)C1CC1)Nc1ccnc(n1)C(F)(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)C1CC1)Nc1ncnc2[nH]ncc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncc(cn1)C1CC1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ncc(cn1)C#N
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ncncc1-c1ccccc1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ccncn1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ncc(F)cn1
Cc1cc(N[C@@H](CCN(CCCCc2ccc3CCCNc3n2)CC(F)F)C(O)=O)nc(n1)-c1ccncc1
Cn1ncc2c(N[C@@H](CCN(CCCCc3ccc4CCCNc4n3)CCOc3ccc(F)cc3)C(O)=O)ncnc12
CO[C@H](C)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C1CC1)C(O)=O
CS(=O)(=O)CCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2[nH]ncc12)C(O)=O
CS(=O)(=O)CCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-n1cccn1)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccncn1)C(O)=O
COC[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-c1ccccc1)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC1CCO1)Nc1ncnc2ccccc12
OCC(CO)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCC(F)F)Nc1ncc(Br)cn1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCC(F)F)Nc1ncc(cn1)C(F)(F)F
Cn1ncc2c(N[C@@H](CCN(CCCCc3ccc4CCCNc4n3)CCC(F)F)C(O)=O)ncnc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCC(F)F)Nc1ccnc(n1)C(F)(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCC(F)F)Nc1ncc(cn1)C1CC1
Cn1ncc2c(N[C@@H](CCN(CCCF)CCCCc3ccc4CCCNc4n3)C(O)=O)ncnc12
OC(=O)[C@H](CCN(CCCF)CCCCc1ccc2CCCNc2n1)Nc1ncc(cn1)C(F)(F)F
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccc(F)cc1)Nc1ncc(cn1)C#N
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccc(F)cc1)Nc1ncc(cn1)C(F)(F)F
CN(C)C(=O)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2n(C)ncc12)C(O)=O
CN(C)C(=O)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C(F)(F)F)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1cc(ncn1)-c1ccccc1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccc(F)cc1)Nc1ncnc2[nH]ncc12
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccc(F)cc1)Nc1ncc(Br)cn1
CN(C)C(=O)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccnc(n1)C(F)(F)F)C(O)=O
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC(F)F)Nc1ncc(cn1)C1CC1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CC1(F)COC1)Nc1ncnc2ccccc12
CO[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncc(cn1)C#N)C(O)=O
CO[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ccncn1)C(O)=O
CO[C@@H](F)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cc(ncn1)-c1ccccc1)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1cccc2ncccc12)C(O)=O |r|
CC(C)(C)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)c1ccccc1 |r|
Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)C(CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCN(CC1)C1CC1 |r|
CN1NCc2cc(ccc12)C(=O)N[C@@H](CCN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r|
OC(=O)[C@H](CCN1CCC(CC1)NCc1ccc2CCCNc2n1)NC(=O)C1CCC(F)(F)CC1 |r|
CC(C)(O)CN1CCCC1C(=O)N[C@@H](CCN1CC(C1)OCCc1ccc2CCCNc2n1)C(O)=O |r|
NCCCc1ccc(CCC2CC3CCC2N3CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C(O)=O)nc1 |r,TLB:9:10:13.14:16|
OC(=O)[C@H](CCN1CC(CCc2ccc3CCCNc3n2)C1)NC(=O)[C@@H]1CCCN1Cc1ccccc1 |r|
COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O
OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1ccc(OC(F)F)nc1 |r|
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cnc2ccc(F)cc2c1
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cnc(nc1)C(F)(F)F
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1ccc(OC(F)F)nc1
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cnc2cc(F)ccc2c1
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cnc2cc(F)c(F)cc2c1
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cnc2cc(ccc2c1)C(F)(F)F
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(c1)C(F)(F)F
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cc(Cl)cc(c1)C(F)(F)F
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cc(ccc1F)C(F)(F)F
OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1cccc(c1)C(F)(F)F |r|
OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F
OC(=O)C[C@H](CCCCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F |r|
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1nc(C)nc2cc(ccc12)C(F)(F)F)C(O)=O
COCCN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncnc2ccncc12)C(O)=O
Cc1ccc2c(N[C@@H](CCN(CCCCc3ccc4CCCNc4n3)CCOc3ccc(C)nc3)C(O)=O)nc(C)nc2c1
OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCC(F)F)Nc1ccnc(n1)C1CC1
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOC1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cnnc1 |r|
Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1nc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(cc(c1)N1CCOCC1)C1CC1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cccn1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
OC(=O)CC(CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnc1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOCC1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2COC2)c1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@@H]2CCOC2)c1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@H]2CCOC2)c1 |r|
Cc1cn(C)c(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1nncn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cncn1 |r|
Cc1cnn(C)c1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1ccnn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1cnn(c1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r|
Cc1nc(C)c([nH]1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1cc(C)n(n1)-c1cc(cc(c1)N1CCOCC1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2CCOCC2)c1 |r|
Cc1cc([nH]n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1ccn(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(Br)c1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnn1 |r|
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC(CC(O)=O)c1cc(Cl)cc(Cl)c1
Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(Cl)c1
COc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(OC(F)(F)F)c1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(Cl)c1Cl
OC(=O)C[C@H](NC(=O)C(COCc1ccccc1)NC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1 |r|
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(cc1)C(F)(F)F
Cc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)cc1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(F)cc1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(F)c1
COc1ccccc1C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
Cc1ccccc1C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1F
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(c1)C(F)(F)F
COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
Cc1cc(C)cc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2CCCc2c1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cc(Cl)cc(Cl)c1
OC(=O)C[C@@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F |r|
OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F |r|
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(cc1)-c1ccccc1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(OC(F)(F)F)cc1
COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(cc1)C#N
Cc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1Cl
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C#N
OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2OCOc2c1
CS(=O)(=O)c1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
Cc1ccc(cc1C)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
OC(=O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(cc1)-c1ccccc1
OC(=O)CC(NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc(c1)[N+]([O-])=O
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
CC(C)(C)c1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:31|
COc1ccc(cc1)S(=O)(=O)N[C@@H](CNc1nc(C)nc(N2CCC(CC2)c2ccc3CCCNc3n2)c1C)C(O)=O |r|
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(CN2CCOCC2)cc1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cc(cc(c1)C1CC1)C1CC1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(CN2CCOCC2)c1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Br)c1
OC(=O)C[C@H](Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 |r|
OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1ccc(Cl)cc1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nc1)c1ccc(Cl)cc1
OC(=O)CC(Nc1ncc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)nc1)c1cccc(Cl)c1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1cccc(F)c1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(F)c1
OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)nc1)c1ccc(Cl)cc1
OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)nc1)c1cccc(Cl)c1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Oc2ccccc2)cc1
OC(=O)CC(Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(c1)C1CC1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(cc1)C(F)(F)F
OC(=O)C[C@@H](Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 |r|
OC(=O)CC(Nc1cnc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1
OC(=O)CC(Nc1ccc(OCCc2ccc3CCCNc3n2)cn1)c1cccc(Cl)c1
OC(=O)CC(Nc1ncc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1
Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
CC[N@+]1(C[C@@H](CC([O-])=O)c2cccc(c2)-n2nc(C)cc2C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
Cc1ccnn1-c1cccc(c1)[C@H](CC([O-])=O)C[N+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
OC(=O)C[C@H](CN1CC[C@@](F)(CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
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[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Cc1ccccc1NC(=O)N1C(CC(=O)NCCC(O)=O)CC1=O
[#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r|
Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(O)=O)c2ccc(cc2)-c2ccccc2)c1
CC1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(N)=N)NC1=O
CC(C)[C@H]1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)NNC(=O)C(CCCNC(N)=N)NC1=O
Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
Cc1ccnc(NCCCCC(=O)NCC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
Cc1ccnc(NCCCCCCC(=O)NC(CC(O)=O)c2cccc(c2)[N+]([O-])=O)c1
NC(=N)NCCCCC(=O)NNC(=O)NC(CC(O)=O)c1ccccc1
Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2cccc(OC(F)(F)F)c2)c1
CC(C)C1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)NNC(=O)C(CCCNC(N)=N)NC1=O
CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)NNC(=O)C(CCCNC(N)=N)NC1=O
CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(N)=N)NC1=O
NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21|
NC(=N)Nc1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,12:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14|
NC(=N)Nc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21|
NC(=N)Nc1cc(NC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19:23.22.21,24:16:19:23.22.21,24:22:19:25.17.16|
NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1ccccc1 |r|
CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2cccc(N)c2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc(cc2)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
COc1ccc(cc1)-c1cccc2c(C[C@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC3=O)C(C)C)c[nH]c12 |r|
CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2c3ccccc3cc3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,wU:3.2,35.40,47.52,wD:7.7,(18.65,-11.81,;17.32,-12.59,;15.98,-11.81,;17.32,-14.13,;15.98,-14.9,;14.65,-14.13,;14.65,-12.59,;13.31,-14.9,;11.98,-14.13,;11.98,-12.59,;13.23,-11.69,;12.75,-10.22,;11.21,-10.22,;10.18,-9.08,;8.68,-9.39,;8.2,-10.86,;9.23,-12,;10.73,-11.69,;10.66,-7.61,;12.17,-7.3,;13.19,-8.44,;14.7,-8.13,;15.17,-6.66,;14.15,-5.53,;12.65,-5.84,;11.62,-4.69,;10.11,-5.01,;9.08,-3.87,;7.57,-4.19,;7.1,-5.67,;8.13,-6.8,;9.64,-6.48,;13.31,-16.44,;11.98,-17.21,;10.65,-16.44,;11.98,-18.75,;10.65,-19.52,;9.31,-18.75,;7.98,-19.52,;9.31,-17.21,;13.32,-19.52,;13.8,-20.99,;12.77,-22.13,;15.31,-21.3,;16.34,-20.16,;17.84,-20.48,;18.32,-21.95,;18.87,-19.34,;20.38,-19.65,;21.41,-18.52,;22.92,-18.83,;23.95,-17.69,;25.46,-18.01,;26.49,-16.87,;25.93,-19.48,;18.09,-17.83,;18.65,-14.9,;19.99,-14.13,)|
CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3c(cccc23)-c2ccc3ccc4cccc5ccc2c3c45)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
COCCN(CCCCC1=CC=C2CCCN=C2N1)CC[C@H](Nc1ncnc2ccccc12)C(O)=O |r,c:16,t:9,11|
OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCOCC2)no1)c1ccc2OCOc2c1
OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1
OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2CCOc2c1
OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)C#C
OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccnc1
CNc1cccc(CCCc2noc(CC(CC(O)=O)c3ccc4OCOc4c3)n2)n1
OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccc(F)c1
OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1
OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc(s1)C1CC1
OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1cnc(s1)-c1ccc(Cl)cc1
COc1ccc(cn1)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1cnc(s1)C1CC1
OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1ccc(F)c(F)c1
OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1cnc(s1)-c1ccccc1
COc1ccc(cc1F)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
Cc1nc2cc(ccc2s1)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
COCc1ncc(s1)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1ccc(Cl)cc1
COc1cc(OC)cc(c1)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
Cc1ccc(cc1)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1ccc2OCOc2c1
OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1cccc(F)c1
COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)no1
OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(O)=O)n1)c1ccc2OCOc2c1
COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)n(C)n1
Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2NCCNc2n1
Cn1nc(C[C@@H](CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)on3)ccc12
[#8]-[#6](=O)-[#6]-[#6](-[#6]-c1cc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)no1)-c1ccc2-[#8]-[#6]-[#8]-c2c1
OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCCN=C1CCCCN1 |w:25.27|
CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12
OCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1
Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1
CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)nn2C)n1
CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)on2)n1
OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1cnc(s1)-c1ccc(Cl)cc1
CCCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1S(=O)(=O)CCc1ccc2CCCNc2n1
OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1
OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(n1)-c1ccccc1)c1ccc2OCOc2c1
Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1
OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1
Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
CN1[C@@H](CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C2CCCCC2)C1=O)C(N)=O |r|
CN1[C@@H](C2CCCCC2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C1=O)C(N)=O |r|
CN1[C@@H](CC(O)=O)C(=O)N[C@@H](C2CCCCC2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC1=O)C(N)=O |r|
CN1CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C2CCCCC2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCCNC(N)=N)C1=O)C(N)=O |r|
CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C2CCCCC2)C(=O)N[C@@H](CCC1=O)C(N)=O |r|
NC(=N)NCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C1CCCCC1)C(N)=O |r|
CNc1cccc(CCOc2ccc(cc2)C2CC2CC(O)=O)n1 |w:16.16,18.20|
CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3|
OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4|
OC(=O)CC1CC1c1cccc(OCCc2ccc3CCCNc3n2)c1 |w:6.7,4.3|
OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Cl)Cl |w:5.5,4.3|
CC(CC(O)=O)Cc1ccc(OCCCNc2ccccn2)cc1 |w:1.0|
OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1 |w:6.7,4.3|
OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1F |w:6.7,4.3|
OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br |w:5.5,4.3|
OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)nc1 |w:6.7,4.3|
OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3|
OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3|
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(I)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Br)cc(Br)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Br)cc(Cl)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(I)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]C(F)(F)[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
[#6]-c1cc(Cl)cc(-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c2cc(-[#8])cc(c2)\[#7]=[#6]-2\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-2)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Cl)c1-[#8]
[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Br)cc(Cl)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(I)c1
[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1
[#6]-c1cc(-[#6])cc(c1)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Br)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Cl)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8]
[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Br)c1
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Br)cc(Br)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cncc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
[#6]-c1cc(-[#6])c(-[#8])c(c1)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(I)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8]
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cncc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
[#6]-c1cc(-[#6])c(-[#8])c(c1)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#7])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8]
[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1
[#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8]
[#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r|
[#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccccc1)C(O)=O |r,wU:16.47,7.6,wD:20.40,24.24,(29.78,-44.54,;28.45,-45.31,;27.11,-44.54,;28.45,-46.85,;27.11,-47.62,;27.11,-49.16,;25.77,-49.94,;25.77,-51.48,;24.44,-52.25,;23.1,-51.48,;23.1,-49.94,;21.77,-52.25,;21.79,-53.77,;23.13,-54.53,;24.46,-53.74,;23.15,-56.07,;24.49,-56.81,;24.51,-58.37,;25.85,-59.12,;27.18,-58.34,;25.87,-60.66,;27.21,-61.42,;29.78,-53.78,;31.12,-54.55,;29.77,-52.24,;31.08,-51.47,;32.4,-52.23,;32.56,-53.73,;34.05,-54.04,;34.8,-52.73,;36.28,-52.41,;36.75,-50.97,;35.72,-49.84,;34.24,-50.16,;33.78,-51.6,;28.45,-51.48,;27.11,-52.25,;27.11,-53.79,;24.54,-61.45,;23.2,-60.68,;21.87,-61.47,;21.89,-63.02,;23.25,-63.77,;24.56,-62.98,;25.82,-56.03,;27.16,-56.79,;25.8,-54.49,)|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 |r|