432 SMILES Strings for Lysosomal Pro-X carboxypeptidase

Compound Name
SMILES String
CN[C@@H]1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r|
CN(CCC(F)(F)F)[C@@H]1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CC(C[C@H]2c2ccc(F)cc2F)N2CCC(F)(F)C2)n(n1)-c1ccc(Cl)c(C)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@](C)(C[C@H]2c2ccc(F)cc2F)N2CCOCC2)n(n1)-c1ccc(F)c(Cl)c1 |r|
CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(Cl)c(Cl)c1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@H]2C[C@@](C)(N)C[C@@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r|
FC(F)(F)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r|
Fc1cc(ccn1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r|
Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(F)cc1 |r|
Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1 |r|
Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1Cl |r|
Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r|
Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(cc1)C#N |r|
Fc1ccc(nc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r|
Cc1cc(ccn1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r|
Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccnc(F)c1 |r|
Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccccc1F)N1CCOCC1)c1ccc(F)cc1 |r|
CCN(CC)CC(=O)N[C@@H]1CC[C@H]([C@@H](C1)c1ccc(Br)cc1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(cc1)C#N)N1CCOCC1)c1ccc(F)cc1 |r|
Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccccc1)N1CCOCC1)c1ccncc1 |r|
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)ccn2)cc1
[O-][n+]1ccc(Cl)cc1C1OC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c2ccccc12
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cccnc32)c2cc(Cl)cc(Cl)c2)cc1
CC(C)(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)ccn1)c1ccc(OC(F)(F)F)cc1
Clc1cc(Cl)cc(c1)C1OC2(CCN(Cc3ccc(nc3)N3CCCC3)CC2)c2ncccc12
CN1CCN(CC1)c1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)nc1
OC(=O)C(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OC(c1ccccc21)c1ccccn1
C1C[C@@H](NC[C@H]1c1oc(nc1-c1ccncc1)-c1ccccc1)c1ccccc1 |r|
Clc1ccc(cc1)-c1nc(c([nH]1)[C@@H]1CC[C@H](NC1)c1ccccc1)-c1ncccn1 |r|
CC(=O)N1C[C@@H](CC[C@H]1c1ccccc1)c1[nH]c(nc1-c1ccccn1)-c1ccccc1 |r|
Clc1ccc(cc1)-c1nc(c([nH]1)[C@@H]1CC[C@@H](NC1)c1ccccc1)-c1ncccn1 |r|
Fc1ccc(cc1)-c1nc(c(o1)C1CCN(CCc2ccccc2)CC1)-c1ncccn1
Clc1ccc(cc1)-c1nc(c([nH]1)C1CCN(CCc2ccccc2)CC1)-c1ncccn1
C(Cc1ccccc1)N1C[C@@H](CC[C@H]1c1ccccc1)c1[nH]c(nc1-c1ccccn1)-c1ccccc1 |r|
Fc1ccc(cc1)-c1nc(c(s1)C1CCN(CCc2ccccc2)CC1)-c1ccccn1
Clc1ccc(cc1)-c1nc(c(s1)C1CCN(CCc2ccccc2)CC1)-c1ccccn1
C(Cc1ccccc1)N1CCC(CC1)c1sc(nc1-c1ccccc1)-c1ccccc1
O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Clc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1Cl
Clc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1
COc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
CCCCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Clc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
FC(F)(F)c1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Clc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1
Fc1cccc(F)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Clc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1
COc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1
Brc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1
CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
CCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
CCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
CCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
CCCCCCCCCCCCNC(=O)[C@@H]1CCCN1
CCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN1
Clc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c(Cl)c1
CCCCCCCCCCCCNC(=O)C1CCN1
CCCCCCCCCCCCNC(=O)C1CCN1C(=O)C1CCCN1
CCCCCCCCCCCCNC(=O)C1CCN1C(=O)C1CCN1
Clc1ccccc1CNC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Clc1cccc(CNC(=O)CCCNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1 |r|
Clc1ccc(CNC(=O)CCCNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 |r|
Clc1ccc(CNC(=O)CCCNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c(Cl)c1 |r|
Clc1ccc(CNC(=O)CCCNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1Cl |r|
CCCCCCCCCCCCNC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
CCOCCOCCOCCCNC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
CCCCCCCCCCCCNC(=O)CCCNC(=O)[C@@H]1CCCN1 |r|
Clc1ccc(cc1)-c1cc(C2CCN(CCc3ccccc3)CC2)n(n1)-c1ncccn1
Clc1ccc(cc1)-c1cc(nn1-c1ccncn1)C1CCN(CCc2ccccc2)CC1
CCn1nc(cc1C1CCN(CCc2ccccc2)CC1)-c1ccc(Cl)cc1
COC(=O)C(CN1CCC(CC1)c1cc(nn1-c1ncccn1)-c1ccc(F)cc1)c1ccccc1
OC(=O)C(CN1CCC(CC1)c1cc(nn1-c1ncccn1)-c1ccc(F)cc1)c1ccccc1
OC(CN1CCC(CC1)c1cc(nn1-c1ncccn1)-c1ccc(Cl)cc1)c1ccccc1
Clc1ccc(cc1)-c1cc(C2CCN(CC2)c2ccc(cn2)S(=O)(=O)N2CCOCC2)n(n1)-c1ncccn1
CS(=O)(=O)N1CCC(C1)N1CCC(CC1)c1cc(nn1-c1ccccc1)-c1ccc(Cl)cc1
Fc1ccc(cc1)-c1cc(C2CCN(CC2)C(=O)Cc2ccccc2C(F)(F)F)n(n1)-c1ncccn1
CO[C@@H](CN1CCC(CC1)c1nc(nn1-c1ncccn1)-c1ccc(F)cc1)c1ccccc1 |r|
Fc1ccc(cc1)-c1nc(C2C3CN(CCc4ccccc4)CC23)n(n1)-c1ncccn1
S=C=Nc1cccc(c1)C1(CCCCC1)N1CCCCC1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
CC(C)(C)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(C)(C)O |r|
C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r|
C[C@H]([C@H](NC(=O)C(C)(C)O)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r|
C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)N1CC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r|
C[C@H]([C@H](NC(=O)C(C)(C)O)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Cn1cc(ccc1=O)-c1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 |r|
CC(C)(N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)(C)c1ccccc1 |r|
Fc1cccc(c1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
CC(C)(Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1cccc(F)c1 |r|
CC(C)(Cc1ccc(cc1)-c1cccc(Cl)c1Cl)C(=O)N1CC(F)(F)C[C@H]1c1nc(c[nH]1)-c1cccc(Br)c1 |r|
Cc1cccc2[nH]c(nc12)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)COc1ccc(cc1)-c1ccccc1 |r|
CC(C)(N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
CC(C)(N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
COc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N2CC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 |r|
CC(C)(CN)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
CC(C)(N)CC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
CC(C)(C)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(C)(C)N |r|
CCCCC(NC(C)=O)C(=O)N1CCCC1C(=O)c1nc2ccccc2o1
CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1 |r|
CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
O=C(N[C@@H](COCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1)OCC1c2ccccc2-c2ccccc12 |r|
CC(C)(C)OC(=O)CCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
C=CCC(=O)OCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
O=C(N[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1)OCC1c2ccccc2-c2ccccc12 |r|
CCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
O=C(N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1)OCC1c2ccccc2-c2ccccc12 |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
CC(C)(C)CC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
O=C(CCc1ccc(cc1)-c1ccccc1)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
Nc1cccc(c1)-c1ccc(CCC(=O)N2CCC[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1 |r|
Cc1ccccc1-c1ccc(CCC(=O)N2CCC[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1 |r|
Cc1ccc(cc1)-c1ccc(CCC(=O)N2CCC[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1 |r|
Clc1ccccc1-c1ccc(CCC(=O)N2CCC[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1 |r|
Clc1ccc(cc1)-c1ccc(CCC(=O)N2CCC[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1 |r|
CC(C)(C)c1ccc(cc1)-c1ccc(CCC(=O)N2CCC[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1 |r|
Fc1cc(ccc1Cl)-c1ccc(CCC(=O)N2CCC[C@H]2c2nc(c[nH]2)-c2ccccc2)cc1 |r|
O=C(CCc1ccc(cc1)-c1ccc2OCOc2c1)N1CCC[C@H]1c1nc(c[nH]1)-c1ccccc1 |r|
FC(F)(F)Cc1cnc([nH]1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)c1cnc([nH]1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
CC(=C)c1cnc([nH]1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
CC(C)c1cnc([nH]1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Brc1cccc(c1)-c1c[nH]c(n1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Cc1[nH]c(nc1-c1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Cc1cccc(c1)-c1c[nH]c(n1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Clc1cccc(c1)-c1c[nH]c(n1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
OC(=O)c1cccc(c1)-c1c[nH]c(n1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Fc1ccc(cc1Cl)-c1c[nH]c(n1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
O=C(CCc1ccc(cc1)-c1ccccc1)N1CCC[C@H]1C(=O)c1nc(c[nH]1)-c1ccco1 |r|
Cc1ccsc1-c1c[nH]c(n1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Fc1ccc2nc([nH]c2c1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Clc1ccc2nc([nH]c2c1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Fc1cc2nc([nH]c2cc1F)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Fc1cc2[nH]c(nc2cc1Cl)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Clc1cc2nc([nH]c2cc1Cl)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc2nc([nH]c2c1C)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Cc1ccccc1-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)COc1ccc(cc1)-c1ccccc1 |r|
O[C@@H]1C[C@H](N(C1)C(=O)CCc1ccc(cc1)-c1cccc(c1)C#N)c1nc(c[nH]1)-c1cccc(Cl)c1 |r|
CC(C)(O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(F)c(F)cc2[nH]1 |r|
CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)C(=O)C1 |r|
CC(C)(CCCC(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
Cn1nc(cc1-c1ccncc1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r|
Cn1nc(cc1-c1cccnc1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1cc(n[nH]1)-c1ccncc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1ccccc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCCC(CC1)c1ccccc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CC(C1)c1ccccc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCN(CC1)c1ccccc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1ccn[nH]1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)n1cccn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1cn[nH]c1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1cnc[nH]1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)n1ccnc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)n1nccn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)n1cncn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)n1ncnn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1ncon1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1ccncc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1ccncn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1ncccn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1cnccn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1cccnc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccncc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1cnccn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ncccn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 |r|
CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r|
OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r|
CCn1nc(cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1)-c1ccncc1 |r|
CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r|
CCn1nc(Cc2ccc3OCOc3c2)cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r|
C[C@H](NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccccc1 |r|
C[C@@H](NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(F)cc1 |r|
C[C@H](NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(F)cc1 |r|
C[C@H](NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1 |r|
FC(F)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
CC(C)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
FC(F)(F)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccccc1
Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccncc1
O=C(CCN1CCC(CC1)c1nc(no1)-c1ccccn1)NC(c1ccccc1)c1ccncc1
Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccncc1
Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccccn1
Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1cccnc1
CC(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)(c1ccncc1)c1ccc(Cl)cc1
Cc1cc(ccn1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 |r|
CC(C)C(NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 |r|
CC(C)C(NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@H]([C@H](N)C(=O)NC(C(F)F)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)NC(C(F)F)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H](N)C(=O)NC(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)NC(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H](N)C(=O)NC(c1ccncc1)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)NC(c1ccncc1)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H](N)C(=O)NC(c1ccc(Cl)cc1)c1ccnc(C)c1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]([C@H](N)C(=O)NC(c1ccc(Cl)cc1)c1cc(C)nc(C)c1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccccc1 |r|
C[C@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1 |r|
C[C@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Br)cc1 |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1 |r|
CC(C)[C@@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1 |r|
FC(F)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
FC(F)(F)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccncc1
Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccncc1
CC(NC(=O)CCN1CCC(CC1)c1ccccc1)(c1ccncc1)c1ccc(Cl)cc1
Cc1cc(ccn1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Cc1cc(cc(C)n1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Cn1cc(cn1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
CC(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccccc1-c1ccccc1
C[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)C(C)(C)N)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)O)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)O)[C@@H](C)c1ccc(cc1)-c1cn[nH]c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Clc1cc2nc(CNC(=O)CCN3CCC(CC3)c3ccccc3)[nH]c2cc1Cl
CC(C)(NC(=O)CCN1CCC(CC1)c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1
C[C@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)CCN1CCN(CC1)c1ccccc1F)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)CCN1CCN(CC1)c1cccc(F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)CCN1CCN(CC1)c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)CCN1CCC(CC1)c1cccc(F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Clc1cc2nc([nH]c2cc1Cl)-c1cccnc1OCCc1ccc(cc1)-c1ccccc1
Clc1cc2nc([nH]c2cc1Cl)-c1cccnc1NCCc1ccc(cc1)-c1ccccc1
Clc1cc2nc(CNC(=O)CCc3ccc(cc3)-c3ccccc3)[nH]c2cc1Cl
C[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
CC(C)(NC(=O)CCc1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1
OC[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)CCc1ccc(cc1)-c1cccnc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)CCc1cccc(c1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCC(C)(C)N)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
C[C@H](NC(=O)[C@@H](N)Cc1cccc(c1)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)cc1
Clc1cc(Cl)cc(c1)C1OC2(CCN(Cc3cc4ccccc4o3)CC2)c2ccccc12
Fc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)nc1
FC(F)(F)c1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)nc1
Clc1cc(Cl)cc(c1)C1OC2(CCN(Cc3ccc(cn3)N3CCCC3)CC2)c2ccccc12
Cn1cc(cn1)-c1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)nc1
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccncc32)c2cc(Cl)cc(Cl)c2)cc1
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cnccc32)c2cc(Cl)cc(Cl)c2)cc1
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ncccc32)c2cc(Cl)cc(Cl)c2)cc1
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccc(Cl)cn2)cc1
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccccn2)cc1
FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cccnc32)c2cc(Cl)ccn2)cc1
CC(N1CCC2(CC1)OC(c1ccccc21)c1cc(Cl)ccn1)c1ccc(F)cn1
CC(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)ccn1)c1ccc(F)cn1
CC(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1)c1ccc(F)cn1
CC(N1CCC2(CC1)OC(c1ccccc21)c1cc(Cl)cc(Cl)c1)c1ccc(F)cn1
OCC(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1)c1ccccc1
CC(C)(O)C(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1)c1ccccc1
[O-][n+]1ccc(Cl)cc1C1OC2(CCN(CC2)S(=O)(=O)c2ccc(cn2)C(F)(F)F)c2ccccc12
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCC(C1)c1ccccn1 |r|
OC1(CCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r|
CC(C)(O)C1CCCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCCC(C1)N1CCc2c(C1)cccc2-c1cccnc1 |r|
C[C@H](Nc1cc(ncn1)N1CCCC(C1)C(C)(C)O)c1ccc(Cl)cc1 |r|
C[C@H](N(C)c1cc(ncn1)N1CCCC(C1)C(C)(C)O)c1ccc(Cl)cc1 |r|
COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(N[C@@H](C)c2ccc(Cl)cc2)ncn1 |r,wU:16.17,8.11,wD:5.4,(30.92,-23.64,;30.91,-25.18,;32.24,-25.96,;32.23,-27.5,;33.58,-25.2,;34.91,-25.98,;34.9,-27.52,;36.23,-28.31,;37.56,-27.53,;37.57,-26,;36.25,-25.22,;38.89,-28.31,;40.23,-27.54,;41.56,-28.32,;42.9,-27.55,;44.24,-28.32,;45.57,-27.54,;45.57,-26,;46.91,-28.31,;46.9,-29.85,;48.24,-30.62,;49.57,-29.85,;50.91,-30.62,;49.57,-28.3,;48.23,-27.54,;42.9,-26.01,;41.57,-25.24,;40.23,-26,)|
Nc1cc(cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)-c1ccccc1-c1ccccc1 |r|
Nc1cc(cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)-c1cccc(c1)-c1ccccc1 |r|
Nc1cc(cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccccc1 |r|
Nc1cc(cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)-c1ccc(OCC(F)(F)F)cc1 |r|
CC(C)(N)C(=O)Nc1cc(cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)-c1ccc(OCC(F)(F)F)cc1 |r|
Nc1c(ncnc1N1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCN(Cc2ccccc2)CC1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(NCc2ccccc2)ncn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(NCCc2ccccc2)ncn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(NCC2CCCCC2)ncn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(NC2CCCCC2)ncn1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCCCC1 |r|
FC(F)(F)c1ccccc1C1CCN(CC1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
FC(F)(F)c1ccccc1C1CCCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
FC(F)(F)c1cccc(c1)C1CCCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
FC(F)(F)c1ccc(cc1)C1CCCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCC(Cc2ccccc2)C1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCO[C@@H](C1)c1ccccc1 |r|
COc1ccc(cc1)C1CN(CCO1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCC(Cn2cccn2)CC1 |r|
C[C@H](Nc1cc(ncn1)N1CCCC(C1)C(C)(C)O)c1ccc(C)cc1 |r|
C[C@@H](Nc1cc(ncn1)N1CCCC(C1)C(C)(C)O)c1ccc(C)cc1 |r|
C[C@H](Nc1cc(ncn1)N1CCCC(C1)C(C)(C)O)c1ccc(F)cc1 |r|
CC(C)(O)C1CCCN(C1)c1cc(NCc2ccc(Cl)cc2)ncn1
CC(C)(O)C1CCCN(C1)c1cc(NC(C)(C)c2ccc(Cl)cc2)ncn1
C[C@H](Nc1cc(ncn1)N1CCCC(C1)N1CCc2c(C1)cccc2-c1cccnc1)c1ccc(Cl)cc1 |r|
C[C@H](Nc1cc(N[C@H]2CC[C@@H](CC2)c2ccccc2)ncn1)c1ccc(Cl)cc1 |r,wU:1.0,7.6,wD:10.13,(24.95,-25.73,;24.95,-27.27,;23.61,-28.04,;22.28,-27.27,;20.94,-28.05,;19.6,-27.27,;18.26,-28.04,;16.93,-27.26,;15.6,-28.04,;14.27,-27.25,;14.28,-25.71,;15.62,-24.95,;16.95,-25.73,;12.95,-24.93,;12.97,-23.39,;11.65,-22.61,;10.31,-23.37,;10.3,-24.92,;11.63,-25.69,;19.61,-25.73,;20.95,-24.96,;22.28,-25.73,;26.28,-28.04,;26.28,-29.58,;27.61,-30.35,;28.94,-29.58,;30.28,-30.35,;28.94,-28.03,;27.61,-27.27,)|
C[C@H](Nc1cc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)ncn1)c1ccc(Cl)cc1 |r,wU:1.0,7.6,wD:10.13,(12.59,-35.16,;12.59,-36.7,;11.26,-37.47,;9.93,-36.7,;8.58,-37.47,;7.25,-36.7,;5.91,-37.46,;4.58,-36.69,;3.25,-37.46,;1.92,-36.68,;1.93,-35.14,;3.27,-34.38,;4.59,-35.15,;.6,-34.36,;-.74,-35.12,;-2.07,-34.34,;-1.52,-36.45,;.02,-36.46,;7.26,-35.16,;8.6,-34.39,;9.93,-35.16,;13.93,-37.47,;13.93,-39.01,;15.26,-39.78,;16.59,-39.01,;17.93,-39.77,;16.59,-37.46,;15.25,-36.7,)|
CC1Cc2ccccc2C(C)N1
C1Cc2ccccc2C(N1)c1ccc2ccccc2c1
CC1Cc2ccccc2C(C)N1CC=C
CCN1CCc2ccccc2C1c1ccccc1
C1Cc2ccccc2C(N1)c1ccccc1
C=CCN1CCc2ccccc2C1c1ccccc1
Cc1ccc(cc1)C1NCCc2ccccc12
Clc1ccc(cc1)C1NCCc2ccccc12
C1NC(Cc2ccccc12)c1ccccc1
C[C@H]1C2Cc3ccccc3[C@@]1(C)CCN2CC=C |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
C1Cc2cccc(c2CN1)-c1ccccc1
CN1CCc2ccccc2C1
C1NCc2ccccc2C1c1ccccc1
C1CCC(CC1)C1NCCc2ccccc12
c1ccc(cc1)C2(CCCCC2)N3CCCCC3
C1CCN(CC1)C1(CCCCC1)c1cccs1
CC1Cc2ccccc2CN1Cc1ccccc1
CC(C)C1NCCc2ccccc12
CN1CCc2ccccc2C1c1ccccc1
C1NC(c2ccccc12)c1ccccc1
C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4
C(C1NCCc2ccccc12)c1ccccc1
Fc1ccc(cc1)C1NCCc2ccccc12
CC(C)CC1NCCc2ccccc12
CC1Cc2ccccc2CN1C
C=CCN1CCc2ccccc2C1C1CCCCC1
C1CC2(CC1c1ccccc21)N1CCCCC1 |THB:9:10:3:1.0,6:5:3:1.0|
CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
C1CCN(CC1)C12CCC(CC1)c1ccccc21
C1CCN(CC1)C12CCCCC1c1ccccc21
CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
CCCN1CCC[C@@H](C1)c1cccc(O)c1
c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cccc(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)cc1F |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r|
Cc1nc(nn1-c1ccc(Cl)c(C)c1)C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)cc1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)c(F)c1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccccc1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(Cc2ccccc2)n1 |r|
Cc1nnc([nH]1)C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)cc1C |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(C)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)cc1 |r|
CC(C)(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F |r|
CC(C)(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nnnn1-c1ccc(Cl)cc1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cc(Cl)cc(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)cc1Cl |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cc(Cl)ccc1Cl |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)cc1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cc(F)cc(F)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)c(F)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)cc1F |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(F)c1 |r|
CC(C)(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cc(Cl)ccc1F |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cc(F)ccc1Cl |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)cc1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)c(Cl)c1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1cc(Cl)ccc1Cl |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1cc(Cl)ccc1Cl |r|
Fc1ccc([C@@H]2CNC[C@H]2C(=O)N2CCC(CC2)c2ccnn2-c2ccc(F)c(Cl)c2)c(F)c1 |r|
C[C@]1(N)C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r|
C[C@@]1(N)C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r|
CN(C)[C@@]1(C)C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r|
CN(C)[C@]1(C)C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r|
CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(F)c(Cl)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1cc(Cl)ccc1Cl |r|
CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1cc(C)nn1-c1cc(Cl)ccc1Cl |r|
C[C@@]1(N)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ncnn1-c1ccc(F)c(Cl)c1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2C[C@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r|
CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(F)c(Cl)c1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1cc(Cl)ccc1Cl |r|
CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1cc(Cl)ccc1Cl |r|
Cc1nc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)c(C)c1 |r|
CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r|
CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r|
CN(C)[C@@H]1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r|
Cc1cc(C2CCN(CC2)C(=O)[C@H]2C[C@](C)(N)C[C@@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r|
Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ncccn1 |r|
Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1cnccn1 |r|
Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1 |r|
C[C@H](NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r|
C[C@H](NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(F)cc1 |r|
CN(C(c1ccccc1)c1ccccc1)C(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1 |r|
Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)N1CCOCC1 |r|
Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)N1CCOCC1 |r|
O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@H](C[C@H]1c1ccccc1)N1CCOCC1 |r|
Cc1ccccc1[C@H]1C[C@@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r|
Cc1ccccc1[C@H]1C[C@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r|
C[C@@H](NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(F)cc1 |r|
CC(C)(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccccc1 |r|
Cc1ccccc1C1CC(CCC1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1
OC(=O)C(F)(F)F.Clc1ccc(cc1)-c1cc([nH]n1)C1(CCN(CCc2ccccc2)CC1)c1ccccc1
OC(=O)C(F)(F)F.Fc1ccc(cc1)-c1cc([nH]n1)C1(CCN(CCc2ccccc2)CC1)c1ccccc1
OC(=O)C(F)(F)F.Cn1nc(cc1C1(CCN(CCc2ccccc2)CC1)c1ccccc1)-c1ccc(F)cc1
OC(=O)C(F)(F)F.Cn1nc(cc1-c1ccc(F)cc1)C1(CCN(CCc2ccccc2)CC1)c1ccccc1
OC(=O)C(F)(F)F.Cn1nc(cc1C1(CCN(CCc2ccccc2)CC1)c1ccccn1)-c1ccc(F)cc1
OC(=O)C(F)(F)F.Clc1ccc(cc1)-c1cc([nH]n1)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccc(Cl)cc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@H]1CN(CCc2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.OC(CN1CC[C@H]([C@@H](C1)c1ccc(F)cc1)c1cc(n[nH]1)-c1ccc(Cl)cc1)c1ccccc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CC(=O)c2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCC(F)(F)F)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.CC(C)(C)CN1CC[C@H]([C@@H](C1)c1ccc(F)cc1)c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Cc1ccccc1[C@@H]1C[C@@H](CC[C@H]1c1cc(n[nH]1)C(c1ccccc1)c1ccccc1)N1CCOCC1 |r|
OC(=O)C(F)(F)F.Cc1ccccc1[C@@H]1C[C@@H](CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1)N1CCOCC1 |r|
OC(=O)C(F)(F)F.Clc1ccc(cc1)-c1cc([nH]n1)[C@@H]1CC[C@@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccc(Cl)cc2)CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@H]1CN(CCc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccccc2)CC[C@@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@H]1CN(CCc2ccccc2)CC[C@@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CC(F)(F)F)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.CC(C)N1CC[C@H]([C@@H](C1)c1ccc(F)cc1)c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CNCC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|