3023 SMILES Strings for Bifunctional epoxide hydrolase 2

Compound Name
SMILES String
C[C@@H](O)C(=O)N1CCN(Cc2ccc(s2)C(=O)N(Cc2ccccc2)OC(F)(F)F)CC1
Cc1noc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)Cc2ccccc2Cl)s1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2cccnc2)s1
CC(C)CCNC(=O)c1ccc(CN2CCN(CC2)C(=O)[C@@H]2C[C@H]2c2ccccc2)s1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2Cc3ccccc23)s1
COc1ncccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)c3cnn4ccccc34)s2)c(Cl)c1
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)c3c(C)cc(=O)oc3C)s2)c(c1)C(F)(F)F
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCCC(C)(C)C)CC1
Cc1cc(nn1CCCNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2c(C)cc(=O)oc2C)s1)C(F)(F)F
CC(C)CCNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2oc3ccc(Br)cc3c2C)s1
CC(C)CCNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2ccnn2C(F)F)s1
CNC(=O)c1cccnc1N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2ccc3nccn3c2)s1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2ccccn2)s1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)COc2ccccc2)s1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2cscc2Br)s1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)N2CCCC2)s1
CC(O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COCc1cc(O)nc(n1)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)c3ccc(O)nn3)s2)c(OC(F)(F)F)c1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCC2CCc3ccccc23)CC1
Cc1cc(sc1CN1CCN(CC1)C(=O)c1c(C)cc(=O)oc1C)C(=O)NCc1ccccc1OC(F)(F)F
Cn1nc(cc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1)C(C)(C)C
Cc1cnc(C)c(n1)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C3CCC3)s2)c(Cl)c1
Cc1cc(sc1CN1CCN(CC1)C(=O)c1c(C)cc(=O)oc1C)C(=O)NCCC(C)(C)C
Cc1cc(sc1CN1CCN(CC1)C(=O)c1c(C)cc(=O)oc1C)C(=O)NCc1cccc2OCCOc12
COc1cc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)[C@H](O)C(C)C)s2)ccn1 |r|
FC(F)(F)c1cccc(CC(=O)N2CCN(Cc3ccc(s3)C(=O)NCc3ccccc3C(F)(F)F)CC2)c1
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)C(C)O)s2)c(OC(F)(F)F)c1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(cc2)C(F)(F)F)CC1
COc1cc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)c3c(C)cc(=O)oc3C)s2)ccn1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
OC1(CC1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(C3CCCC3)C(=O)C2)s1
Cc1cncc(n1)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COc1cc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)C3CC(=O)OC3(C)C)s2)ccn1
CN[C@@H]([C@@H](C)O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)COc3ccccc3)s2)c(Cl)c1
Fc1ccc(C(=O)N2CCN(Cc3ccc(s3)C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(Cl)c1
CN1CC(CC1=O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2nccc3ccccc23)s1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(c3nccs3)C(=O)C2)s1
NC(CF)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2COCCN2)s1
Oc1ccc(nn1)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Cn1cccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
Cn1ncc(Br)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
CCOc1ccccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
CC(O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2CCOC2)s1
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC(F)(F)F)C(=O)C3)s2)c(OC(F)(F)F)c1
COc1ncccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)C3(CC3)c3ccccc3)s2)c(Cl)c1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2F)CC1
CC(O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(cc2Cl)C#N)CC1
CC1(C)N(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CCNC1=O
CC(C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1)c1ccccc1
Fc1ccc(C(=O)N2CCN(Cc3ccc(s3)C(=O)NCc3ccccc3C(F)(F)F)CC2)c(Cl)c1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)c3nccc4ccccc34)s2)c(Cl)c1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2ccc[nH]c2=O)s1
COc1ccc(OC)c(n1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COCC1(CC1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)Cc3ccccc3Cl)s2)c(Cl)c1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)C3Cc4ccccc34)s2)c(Cl)c1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)[C@@H]3C[C@H]3c3ccccc3)s2)c(Cl)c1
Cc1cccc(n1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)c2cnccn2)s1
CNC(=O)c1cccnc1N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(OC)cc2OC(F)(F)F)CC1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2(CC2)c2ccccc2)s1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)[C@@H]2C[C@H]2c2ccccc2)s1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)c3ccccn3)s2)c(Cl)c1
CCCn1nccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2c(C)cc(=O)oc2C)s1
Cc1ccc(O)c(n1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(cc2Cl)C#N)CC1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2c(Cl)cccc2Cl)s1
Oc1cccnc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COCCOCC(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3)s2)c(Cl)c1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C2CCS(=O)(=O)C2)s1
CC1(C)CC[C@H](N1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
OCc1ccc(nc1)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Cc1noc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
Clc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)c3cccnc3)s2)c(Cl)c1
CCc1oncc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2cccc(Cl)c2Cl)CC1
CC(O)CC(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
CO[C@H](C)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
O[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
CCC(C)(O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
CC[C@@H](O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COc1cccnc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
CC(C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1)c1ccccc1
CCn1nc(C)c(Br)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCCC(C)C)CC1
FC(F)(F)c1cccc(CC(=O)N2CCN(Cc3ccc(s3)C(=O)NCc3ccc(Cl)cc3Cl)CC2)c1
CC(C)[C@@H](O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2CCC(=O)N2)s1
CC1(C)SCN[C@H]1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COc1ccc(CNC(=O)c2ccc(CN3CCn4cnnc4C3)s2)c(OC(F)(F)F)c1
Cc1cccnc1N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1=O
OCCC(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2c[nH]cnc2=O)s1
Cn1ncc(cc1=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
NC1(CC1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CC1(C)SCN[C@H]1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
FC(F)(F)CN1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1=O
Cc1cccnc1N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1=O
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)c3nccn3C)s2)c(OC(F)(F)F)c1
Clc1ccc(CNC(=O)c2ccc(CN3CCN4C(CCC4=O)C3)s2)c(Cl)c1
NC1(CC1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COCCC(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
CCc1oncc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
CCOc1ccccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCCC(C)C)CC1
Fc1ccccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
Cc1cc(cc(C)n1)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2ccccn2)s1
Cc1noc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
CC(C)(O)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)c3ccccn3)s2)c(OC(F)(F)F)c1
OCCN1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COc1ccc(CNC(=O)c2ccc(CN3CCN(C(=O)C3)c3ncccc3C)s2)c(OC(F)(F)F)c1
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)c3cc(C)ccn3)s2)c(OC(F)(F)F)c1
CC(C)(O)CC(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Fc1ccc(F)c(n1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Cn1cccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Fc1ccccc1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Oc1cccc(n1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
NC1(CCOCC1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COc1ccc(CNC(=O)c2ccc(CN3CCN(C)C(=O)C3)s2)c(OC(F)(F)F)c1
CNC(=O)c1cccnc1N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Oc1ccc(nn1)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
CSCCC(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
CC(N(C)C)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COc1cc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)c3c(C)n[nH]c3C)s2)ccn1
COCCCC(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2CC2)s1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)c2nncs2)s1
NC1(CCC1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
NC(CF)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
NC1(CCOCC1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC3)c3ccc(CO)cn3)s2)c(OC(F)(F)F)c1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)C2COCCO2)s1
COc1cc(CNC(=O)c2ccc(CN3CCN(CC3)C(=O)c3nc(F)ccc3F)s2)ccn1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)F)CC1
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2cnn3ccccc23)s1
Cc1ccc(s1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2C(F)(F)F)CC1
Cc1ccc(s1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)CN2CCOC2=O)s1
NC1(CCCCC1)C(=O)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
COCc1cc(O)nc(n1)N1CCN(Cc2ccc(s2)C(=O)NCc2ccccc2OC(F)(F)F)CC1
Cc1noc(C)c1C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CC1(C)OC(=O)CC1C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
OCCC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CSCCC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Cc1noc(C)c1CC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COCCCC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CCC(C)(O)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)CN3CCCC3=O)s2)c(Cl)c1
CC(N1CCCC1=O)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)C3COCCO3)s2)c(Cl)c1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)C3CC3)s2)c(Cl)c1
CC(C)(O)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COCCC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Cc1cccc(n1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Oc1cccc(n1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CC(C)(CO)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CC(N(C)C)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)c3ccc[nH]c3=O)s2)c(Cl)c1
CC[C@@H](O)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Fc1ccc(F)c(n1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
OCC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)C3CCCO3)s2)c(Cl)c1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)C3CCOC3)s2)c(Cl)c1
CN1CCC[C@H]1C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CC(C)(O)CC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)c3ccccn3)s2)c(Cl)c1
Cc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)c3ncccc3O)s2)c(Cl)c1
COCCOCC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CC(O)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CN1CCC(CC1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CC[C@H](O)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COCC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)CN3CCOC3=O)s2)c(Cl)c1
Cc1cccnc1C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)CC#N)s2)c(Cl)c1
COc1cccnc1C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CN1CC(CC1=O)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CC(C)[C@@H](O)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
CN(C)CCC(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
NC1(CC1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
OC1(CC1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COc1cccc(n1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)C3CNC(=O)N3)s2)c(Cl)c1
CO[C@H](C)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COCC1(CC1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Cc1n[nH]c(C)c1C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
COC(C)(C)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
Clc1ccc(CNC(=O)c2cnc(CN3CCN(CC3)C(=O)C3CCO3)s2)c(Cl)c1
OC1CCC(C1)C(=O)N1CCN(Cc2ncc(s2)C(=O)NCc2ccc(Cl)cc2Cl)CC1
O[C@@H]1CN(CC(=O)N2CCN(Cc3ncc(s3)C(=O)NCc3ccc(Cl)cc3Cl)CC2)C(=O)C1
OC1CCN(CC(=O)N2CCN(Cc3ncc(s3)C(=O)NCc3ccc(Cl)cc3Cl)CC2)C1
CCC(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:13:20:16.17.18,THB:22:17:20:13.21.14,21:13:16:20.19.18,21:19:16:13.22.14,12:13:20:16.17.18|
CCCCCCCCCCCCS(C)(=O)=O
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)[N+]([O-])=O
O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(C1)c1ncccn1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC1CC2([H])CCCC([H])(C1)N2Cc1ccco1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
[H]C12CCC([H])(CC(C1)NC(=O)NC1CCCCC1)N2S(=O)(=O)c1ccc(cc1)C(=O)OC
Cc1cc(NC2C3CC4CC(C3)CC2C4)n2nnnc2n1 |TLB:11:6:14:10.12.9,11:10:6.5.7:14,THB:4:5:8.7.14:10.11.12,4:5:14:10.12.9,9:10:5:8.7.14|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)OC |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(CC1)c1ncccn1
O=C(NC1CCCCC1)NC1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
CCC(C)c1ccc(NC(=O)C2CCCN(C2)c2ncccn2)cc1
CCCC(=O)Nn1cnc2-c3ccccc3CC3(CCCC3)c2c1=O
[#6]\[#6](-[#6])=[#6]\[#6]C([#6])([#6])[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
C(Cc1ccccc1)N=C1NCCCS1 |w:8.8|
CC(C)CCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 |(11.08,11.17,;9.75,10.4,;8.41,11.17,;9.75,8.86,;8.41,8.09,;8.41,6.55,;7.08,5.78,;5.75,6.55,;7.08,4.24,;8.41,3.47,;8.41,1.93,;7.08,1.16,;7.08,-.39,;5.75,-1.16,;5.75,-2.7,;7.29,-2.7,;4.21,-2.7,;5.75,-4.24,;4.41,-5.01,;4.41,-6.55,;5.75,-7.32,;5.75,-8.86,;4.41,-9.63,;4.41,-11.17,;3.08,-8.86,;7.08,-6.55,;7.08,-5.01,;5.75,1.93,;5.75,3.47,)|
CC(C)CN(C#N)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCCN1CCCC1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
Cc1ccc(NC(=O)NC2CCCCC2)cc1Cl
CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
CC(C)c1ccc(NC(=O)NC2CCCCC2)cc1
O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)N1CCOCC1
FC(F)S(=O)(=O)c1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
Cc1cc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)ccc1Br
CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)cc1C
Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3sc(NC(=O)c4ccccc4)nc3C)cc2)no1
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2ccc(Cl)cc2[nH]1
[H]C12CCC([H])(CC(C1)NC(=O)NC1CCCCC1)N2S(=O)(=O)c1ccc(OC)cc1
CCN(CC)S(=O)(=O)c1ccc(cc1)N=C1NS(=O)(=O)c2ccccc12 |w:14.14|
CCOC(=O)CSc1ccc(cn1)-c1nc2cc(C)c(C)cc2[nH]1
[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-[#6]-[#6]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-c2ccc(Cl)c(Cl)c2)-[#6](=O)-[#6]1
O=C(NC1CCCCC1)NC1CCCCCCC1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCCCOC(C)C |t:3|
CCOC(=O)C(O)(c1ccc(NC(=O)NC2CCCCC2)cc1)C(F)(F)F
Clc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCN1CCCC1=O)c2=O
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)=NNC(=O)c1ccoc1C |w:15.18,TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Cc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c(C)o1
O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)NCCC(c1ccccc1)c1ccccc1
Clc1nc(Nc2ccccc2)sc1C=NNC(=O)COc1ccc(cc1)C#N |w:14.16|
Cc1ccccc1N(CC(=O)NN=Cc1ccccc1Cl)C(=O)c1ccccc1 |w:12.12|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(CC)=NNC(=O)c1ccncc1 |w:16.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(CC)=NNC(=O)c1ccc2OCOc2c1 |w:16.19,TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Clc1ccc(NC(=O)NC2CCCc3ccccc23)cc1
Fc1cccc(C=NNC(=O)c2csc3CCCCc23)c1 |w:7.7|
COc1ccc(Cn2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1
ClC1(Cl)C(C=NNC(=O)c2cccc(Br)c2)C1c1ccccc1 |w:5.5|
COc1ccc([CH+][N-]NC(=O)c2cccc(c2)[N+]([O-])=O)cc1OS(=O)(=O)c1ccc(C)cc1
CC(C)(C)C1CCc2c(C1)scc2C(=O)NN=Cc1cccs1 |w:16.17|
Clc1ccc(CON=CNc2ncnc3sccc23)cc1 |w:7.6|
Clc1ccc(OCCCC(=O)NN=CC2CCCCC2)c(Cl)c1 |w:12.11|
Cc1ccccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C
Cc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)NCCSC1CCCCC1
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)NCCSC2CCCCC2)c1
Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cccc(F)c23)c1C
c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4
CCOC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:13.16,10.9,(-6.39,-8.92,;-6.39,-7.38,;-5.06,-6.61,;-5.06,-5.07,;-6.39,-4.3,;-3.73,-4.3,;-2.39,-5.07,;-1.06,-4.3,;-1.06,-2.76,;.28,-1.99,;.28,-.45,;1.61,.32,;1.61,1.86,;.28,2.63,;-1.06,1.86,;-1.06,.32,;.28,4.17,;1.61,4.94,;1.61,6.48,;2.94,4.17,;4.28,4.94,;4.28,6.48,;5.61,7.25,;6.94,6.48,;8.28,7.25,;9.61,6.48,;10.95,5.71,;9.61,4.94,;10.95,7.25,;6.94,4.94,;5.61,4.17,;-2.39,-1.99,;-3.73,-2.76,)|
OC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wD:11.14,8.7,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)|
c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F
OC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)cc2)cc1 |r,wU:8.7,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)|
FC(F)(F)c1cc(NC(=O)NC2CC[C@@H](CC2)Oc2ccc(cc2)C#N)ccc1Cl |r,wU:14.17,(-10.67,,;-9.34,-.77,;-9.34,-2.31,;-10.67,-1.54,;-8,,;-6.67,-.77,;-5.33,,;-4,-.77,;-2.67,,;-2.67,1.54,;-1.33,-.77,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;5.33,,;6.67,-.77,;8.06,-.07,;8,1.54,;6.67,2.31,;9.39,-.86,;10.71,-1.64,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-9.34,2.31,)|
OC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:8.7,(10.67,,;9.34,-.77,;9.34,-2.31,;8,,;6.67,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-9.34,2.31,;-8,,;-6.67,-.77,;-9.34,-.77,;-10.67,,;-9.34,-2.31,;-10.67,-1.54,;6.67,2.31,;8,1.54,)|
CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wU:9.8,wD:12.15,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,(20.94,-45.42,;19.61,-44.65,;19.61,-43.11,;20.95,-42.34,;18.28,-42.34,;16.94,-43.1,;15.61,-42.33,;15.62,-40.79,;14.28,-40.01,;12.95,-40.78,;12.95,-42.32,;11.62,-43.08,;10.29,-42.32,;10.29,-40.78,;11.62,-40,;8.96,-43.09,;7.62,-42.32,;7.62,-40.78,;6.29,-43.09,;4.96,-42.33,;3.94,-43.6,;2.54,-43.04,;1.03,-43.46,;2.23,-42.18,;2.22,-40.7,;3.57,-40.22,;2.53,-41.45,;4.97,-40.8,;3.56,-42.67,;16.94,-40.02,;18.28,-40.79,)|
CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,(10.67,-.77,;9.34,,;8,-.77,;8,-2.31,;6.67,,;5.33,-.77,;4,,;4,1.54,;2.67,2.31,;1.33,1.54,;1.33,,;,-.77,;-1.33,,;-1.33,1.54,;,2.31,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-10.67,5.39,;-9.34,4.62,;-12,4.62,;-9.34,,;-8,-.77,;5.33,2.31,;6.67,1.54,)|
CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wD:9.8,(10.67,-.77,;9.34,,;8,-.77,;8,-2.31,;6.67,,;5.33,-.77,;4,,;4,1.54,;2.67,2.31,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-10.67,5.39,;-9.34,4.62,;-12,4.62,;-9.34,,;-8,-.77,;5.33,2.31,;6.67,1.54,)|
CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:9.8,(11.34,-.77,;10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-8.67,,;-7.34,-.77,;-10,-.77,;-11.34,,;-10,-2.31,;-11.34,-1.54,;6,2.31,;7.34,1.54,)|
CNC(=O)c1cc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wU:8.7,(11.34,1.54,;10,.77,;8.67,1.54,;8.67,3.08,;7.34,.77,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-8.67,-.77,;-7.34,-1.54,;-10,-1.54,;-11.34,-.77,;-10,-3.08,;-11.34,-2.31,;4.67,-.77,;6,-1.54,;7.34,-.77,)|
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CNC(=O)c1cc(Oc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)ccn1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
FC(F)(F)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)nc1 |r,wU:9.8,wD:12.15,(10.71,-1.64,;9.39,-.86,;8.6,-2.18,;10.17,.47,;8.06,-.07,;6.67,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-9.34,2.31,;-8,,;-6.67,-.77,;-9.34,-.77,;-10.67,,;-9.34,-2.31,;-10.67,-1.54,;6.67,2.31,;8,1.54,)|
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CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cn1 |r,wU:9.8,wD:12.15,(21.22,-29.7,;19.89,-28.92,;18.55,-29.69,;18.55,-31.23,;17.22,-28.92,;15.88,-29.69,;14.55,-28.91,;14.56,-27.37,;13.23,-26.6,;11.89,-27.36,;11.89,-28.9,;10.56,-29.66,;9.23,-28.9,;9.23,-27.36,;10.56,-26.58,;7.9,-29.67,;6.56,-28.91,;6.56,-27.37,;5.23,-29.68,;3.9,-28.91,;2.58,-29.68,;1.24,-28.92,;1.23,-27.37,;-.12,-26.61,;2.57,-26.6,;3.9,-27.37,;2.57,-25.06,;3.9,-24.29,;1.23,-24.29,;2.55,-23.51,;15.89,-26.61,;17.22,-27.37,)|
CC(C)(C)OC(=O)c1cc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wD:14.17,11.10,(12.21,.77,;10.67,.77,;10.67,2.31,;10.67,-.77,;9.13,.77,;7.8,1.54,;7.8,3.08,;6.46,.77,;5.13,1.54,;3.79,.77,;2.46,1.54,;1.13,.77,;1.13,-.77,;-.21,-1.54,;-1.54,-.77,;-1.54,.77,;-.21,1.54,;-2.87,-1.54,;-4.21,-.77,;-4.21,.77,;-5.54,-1.54,;-6.87,-.77,;-6.87,.77,;-8.21,1.54,;-9.54,.77,;-10.88,1.54,;-9.54,-.77,;-8.21,-1.54,;-10.88,-1.54,;-12.21,-.77,;-10.88,-3.08,;-12.21,-2.31,;3.79,-.77,;5.13,-1.54,;6.46,-.77,)|
CNC(=O)c1cc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wD:8.7,(11.34,1.54,;10,.77,;8.67,1.54,;8.67,3.08,;7.34,.77,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;.67,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;2,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-8.67,-.77,;-7.34,-1.54,;-10,-1.54,;-11.34,-.77,;-10,-3.08,;-11.34,-2.31,;4.67,-.77,;6,-1.54,;7.34,-.77,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 |r,wU:8.7,wD:11.14,(10.67,-.77,;9.34,-1.54,;9.34,-3.08,;8,-.77,;6.67,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8,-.77,;-6.67,-1.54,;-9.34,1.54,;-10.67,.77,;-9.34,3.08,;-10.67,2.31,;6.67,1.54,;8,.77,)|
CCN(CC)C(=O)c1cc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wU:11.10,wD:14.17,(10.67,-1.54,;9.34,-.77,;9.34,.77,;10.67,1.54,;12,.77,;8,1.54,;8,3.08,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-8,1.54,;-9.34,.77,;-10.67,1.54,;-9.34,-.77,;-8,-1.54,;-10.67,-1.54,;-12,-.77,;-10.67,-3.08,;-12,-2.31,;4,-.77,;5.33,-1.54,;6.67,-.77,)|
CNC(=O)c1cc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 |r,wU:8.7,wD:11.14,(16.58,-24.39,;16.58,-22.85,;15.25,-22.08,;13.92,-22.84,;15.26,-20.54,;13.93,-19.77,;13.94,-18.22,;12.6,-17.45,;11.27,-18.22,;11.27,-19.76,;9.94,-20.52,;8.61,-19.76,;8.61,-18.22,;9.94,-17.44,;7.28,-20.53,;5.94,-19.76,;5.94,-18.22,;4.61,-20.53,;3.28,-19.76,;3.28,-18.22,;1.95,-17.45,;.61,-18.23,;-.72,-17.46,;-.74,-15.92,;-2.06,-15.15,;.61,-15.15,;-.74,-14.37,;.62,-19.77,;1.95,-20.53,;15.26,-17.46,;16.6,-18.22,;16.6,-19.77,)|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccn1
CCN(CC)C(=O)c1cc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 |r,wU:11.10,wD:14.17,(11.34,-2.31,;10,-1.54,;10,,;11.34,.77,;12.67,,;8.67,.77,;8.67,2.31,;7.34,,;6,.77,;4.67,,;3.33,.77,;2,,;2,-1.54,;.67,-2.31,;-.67,-1.54,;-.67,,;.67,.77,;-2,-2.31,;-3.33,-1.54,;-3.33,,;-4.67,-2.31,;-6,-1.54,;-6,,;-7.34,.77,;-8.67,,;-10,.77,;-11.34,,;-12.67,.77,;-11.34,-1.54,;-12.67,-.77,;-8.67,-1.54,;-7.34,-2.31,;4.67,-1.54,;6,-2.31,;7.34,-1.54,)|
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccnc(c2)C(=O)N2CCCC2)cc1 |r,wU:16.19,wD:13.12,(-12.52,.77,;-11.19,,;-11.19,-1.54,;-12.52,-.77,;-9.85,.77,;-8.52,,;-7.19,.77,;-5.85,,;-5.85,-1.54,;-4.52,-2.31,;-3.19,-1.54,;-3.19,,;-1.85,-2.31,;-.52,-1.54,;.82,-2.31,;2.15,-1.54,;2.15,,;.82,.77,;-.52,,;3.48,.77,;4.82,,;4.82,-1.54,;6.15,-2.31,;7.48,-1.54,;7.48,,;6.15,.77,;8.82,.77,;8.82,2.31,;10.15,,;10.15,-1.54,;11.62,-2.02,;12.52,-.77,;11.62,.48,;-7.19,-2.31,;-8.52,-1.54,)|
FC(F)(F)c1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1 |r,wU:15.18,wD:12.11,(-10.67,.38,;-9.34,1.15,;-9.34,2.69,;-10.67,1.93,;-8,.38,;-6.67,1.15,;-5.33,.38,;-5.33,-1.16,;-4,-1.93,;-2.67,-1.16,;-2.67,.38,;-1.33,-1.93,;,-1.16,;1.33,-1.93,;2.67,-1.16,;2.67,.38,;1.33,1.15,;,.38,;4,1.15,;5.33,.38,;5.33,-1.16,;6.67,-1.93,;8.06,-1.23,;8,.38,;6.67,1.15,;9.39,-2.01,;10.71,-2.8,;-6.67,-1.93,;-8,-1.16,)|
Clc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1 |r,wU:12.15,wD:9.8,(-10,1.92,;-8.67,1.15,;-7.34,1.92,;-6,1.15,;-6,-.39,;-4.67,-1.16,;-3.33,-.39,;-3.33,1.15,;-2,-1.16,;-.67,-.39,;.67,-1.16,;2,-.39,;2,1.15,;.67,1.92,;-.67,1.15,;3.33,1.92,;4.67,1.15,;4.67,-.39,;6,-1.16,;7.4,-.46,;7.34,1.15,;6,1.92,;8.72,-1.24,;10.05,-2.03,;-7.34,-1.16,;-8.67,-.39,)|
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1 |r,wU:16.19,wD:13.12,(-11.34,1.92,;-10,1.15,;-10,-.39,;-11.34,.38,;-8.67,1.92,;-7.34,1.15,;-6,1.92,;-4.67,1.15,;-4.67,-.39,;-3.33,-1.16,;-2,-.39,;-2,1.15,;-.67,-1.16,;.67,-.39,;2,-1.16,;3.33,-.39,;3.33,1.15,;2,1.92,;.67,1.15,;4.67,1.92,;6,1.15,;6,-.39,;7.34,-1.16,;8.73,-.46,;8.67,1.15,;7.34,1.92,;10.06,-1.24,;11.38,-2.03,;-6,-1.16,;-7.34,-.39,)|
CCCCCCC(=O)[Ni](CCC)CCCC\C=C/CCCCCCC(=O)OCCOCCOCCO
CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)OCCOCCOCCO
CCCCNC(=O)C(=O)NCCCC\C=C/CCCCCCC(=O)OCCOCCOCCO
CCCCCNC(=O)NCCCC\C=C/CCCCOCC(O)=O
CCCCCCC(=O)[Ni](CCC)CCCC\C=C/CCCCCCC(=O)NCC(O)=O
CCCCCN(C)C(=O)N(C)CCCC\C=C/CCCCCCC(=O)NCC(O)=O
CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)N[C@@H](CC(O)=O)C(O)=O |r|
CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)NS(=O)(=O)c1ccccc1
CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)NS(C)(=O)=O
CCCCCNC(=O)NCCCC\C=C/CCCCCCP(O)(O)=O
CCCCCNC(=O)NCCCC\C=C/CCCCCCS(O)(=O)=O
CCCCCNC(=O)NCCCC\C=C/CCCCCNS(=O)(=O)c1ccccc1
CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ccccc1O
CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ccccc1O
CCCCCNC(=O)NCCCC\C=C/CCCCCSc1nnn[nH]1
CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ncn[nH]1
CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)c1ncn[nH]1
CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ncn[nH]1
CCCCCCC(=O)[Ni](CCC)CCCC\C=C/CCCCCCc1nnn[nH]1
CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
CCCCNC(=O)C(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
CCCCCNC(=O)NCCCC\C=C/CCCCCCCc1nnn[nH]1
CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=O)[nH]1
CCCCCNC(=O)NCCCC\C=C/CCCCCC1SC(=O)NC1=O
CCCCCNC(=O)NCCCC\C=C/CCCCCCC1=NOS(=O)N1 |t:21|
CCCCCCC(=O)[Ni](CCC)CCCC\C=C/CCCCCCC1=NOS(=O)N1 |t:24|
CCCCNC(=O)C(=O)NCCCC\C=C/CCCCCCC1=NOS(=O)N1 |t:22|
CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=S)[nH]1
CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nsc(=O)[nH]1
CCCCCCC(=O)[Ni](CCC)CCCCCOc1cccc2sc(NC(C)=O)nc12
CCCCCNC(=O)NCCCCCOc1cccc2sc(NC(C)=O)nc12
CCCCNC(=O)C(=O)NCCCCCOc1cccc2sc(NC(C)=O)nc12
CCCCCNC(=O)NCCCC\C=C/CCOc1cccc2sc(NC(C)=O)nc12
CCCCCCC(=O)N(CCCC\C=C/CCCCCCC1=NOS(=O)N1)C(C)C |t:21|
CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)N[C@H](CC(O)=O)C(O)=O |r|
CCCCCCC(=O)[Ni](CCC)CCCCCOc1cccc2nc(NC(C)=O)sc12
Clc1ccc(CNC(=O)N2CC3(C2)CN(C3)C(=O)c2ccccc2)c(Cl)c1
OC(=O)c1ccc(cc1)N1CC2(CN(C2)C(=O)NCc2ccc(Cl)cc2Cl)C1
Clc1ccc(CNC(=O)N2CC3(C2)CN(C3)S(=O)(=O)c2ccccc2)c(Cl)c1
Clc1ccc(CNC(=O)N2CC3(C2)CN(C3)c2ncccn2)c(Cl)c1
Fc1ccc(cc1)S(=O)(=O)N1CCC11CN(C1)C(=O)NCc1ccc(Cl)cc1Cl
Clc1ccc(cc1)S(=O)(=O)N1CC2(CCN2C(=O)NCc2ccc(Cl)cc2Cl)C1
Clc1ccc(CNC(=O)N2CC3(CCN3c3ncccn3)C2)c(Cl)c1
O=C(NCCCc1ccccc1)N1CC2(CCN2Cc2ccccc2)C1
Clc1ccc(cc1)S(=O)(=O)N1CCC11CN(C1)C(=O)NCCCc1ccccc1
Clc1ccc(cc1)S(=O)(=O)N1CCC11CN(C1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,29:20:27:23.24.25,THB:28:20:23:27.26.25,28:26:23:20.29.21,29:24:27:20.28.21|
Clc1ccc(cc1)S(=O)(=O)N1CCC11CN(C1)C(=O)NCc1ccc(Cl)cc1Cl
FC(F)(F)Oc1ccccc1CNC(=O)N1CC2(CCN2S(=O)(=O)c2ccc(Cl)cc2)C1
FC(F)(F)c1ccccc1S(=O)(=O)N1CCC11CN(C1)C(=O)NCCCc1ccccc1
Clc1ccccc1S(=O)(=O)N1C[C@]2(CC[C@H]2C(=O)NCCCc2ccccc2)C1 |r|
Clc1ccccc1S(=O)(=O)N1C[C@]2(CC[C@@H]2C(=O)NCCCc2ccccc2)C1 |r|
Clc1ccc(cc1)S(=O)(=O)N1C[C@]2(CC[C@H]2NC(=O)NCc2ccc(Cl)cc2Cl)C1 |r|
Clc1ccc(cc1)S(=O)(=O)N1C[C@]2(CC[C@@H]2NC(=O)NCc2ccc(Cl)cc2Cl)C1 |r|
Clc1ccc(CNC(=O)N2CC3CN(C3C2)C(=O)c2ccccc2)c(Cl)c1
Clc1ccc(CNC(=O)N2CC3CN(C3C2)S(=O)(=O)c2ccccc2)c(Cl)c1
Clc1ccc(CNC(=O)N2CC3CN(C3C2)c2ncccn2)c(Cl)c1
OC(=O)c1ccc(cc1)N1CC2CN(CC12)C(=O)NCc1ccc(Cl)cc1Cl
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
FC(F)(F)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CCCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r|
FC(F)(F)CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)cc1
CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
FC(F)(F)CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CC(C)c1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)cc1
CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:14:17:21.19.20,22:20:17:15.14.23,19:18:15:22.21.20,19:20:15:18.17.23|
CCC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1
CCC(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
CCCCCCCCNC(=O)NC1CCN(CC1)C(=O)CC
CCC(=O)N1CCC(CC1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc2ccccc2c1
CCC(=O)N1CCC(CC1)NC(=O)Nc1cccnc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1C
CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(C)c1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(CC)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(C)C
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Oc2ccccc2)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc2OCOc2c1
CCC(=O)N1CCC(CC1)NC(=O)Nc1cc(OC)c(OC)c(OC)c1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)N1CCOCC1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(=O)OC
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(O)=O
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(O)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(F)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Br)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(I)cc1
CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(F)c1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1F
CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(Cl)c1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1Cl
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)c(Cl)c1
CCC(=O)N1CCC(CC1)NC(=O)Nc1cc(Cl)cc(Cl)c1
CCC(=O)N1CCC(CC1)NC(=O)Nc1c(Cl)cccc1Cl
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1C)C(F)(C(F)(F)F)C(F)(F)F
CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccncc2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccc(Cl)nc2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)Cc2ccccn2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CN2CCN(Cc3ccccc3)CC2)cc1
CC(=O)N1CCN(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C(F)(F)F)cc1
Oc1cc(cc(O)c1O)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
CCCCCCC(=O)N(CCCC\C=C/CCCCCCC(=O)OCCOCCOCCO)C(C)C
CCCCCCC(=O)N(CCCC\C=C/CCCCCCC(=O)NCC(O)=O)C(C)C
CCCCCNC(=O)NCCCC\C=C/CCCCCCP([O-])([O-])=O
CCCCCNC(=O)NCCCC\C=C/CCCCCCS([O-])(=O)=O
CCCCCCC(=O)N(CCCC\C=C/CCCCCCc1nnn[nH]1)C(C)C
CCCCCCC(=O)N(CCCCCOc1cccc2sc(NC(C)=O)nc12)C(C)C
CCCCCNC(=O)NCCCCCCCCOc1cccc2sc(NC(C)=O)nc12
CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)N[C@H](CC([O-])=O)C([O-])=O |r|
CCCCCCC(=O)N(CCCCCOc1cccc2nc(NC(C)=O)sc12)C(C)C
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)cc1 |r|
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2=COCC2)cc1 |t:22|
Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)cc1 |r|
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2=COCC2)cc1 |t:21|
Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1
CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
CC(C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
OC(=O)CC1(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(cc2)C(F)(F)F)CCCCC1
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)ccc1OC(F)(F)F |r|
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r|
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)ccc1OC(F)(F)F
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)cc1
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)ccc1OC(F)(F)F
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1OC(F)(F)F
CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1C(F)(F)F
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)ccc1C(F)(F)F
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F |r|
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)ccc1C(F)(F)F
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1C(F)(F)F
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)ccc1C(F)(F)F
Fc1cc(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)ccc1OC(F)(F)F
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)ccc1OC(F)(F)F
CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(nc1)C(F)(F)F |r|
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)N2CCOCC2)ccc1OC(F)(F)F
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 |r|
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 |r|
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(c1)C(F)(F)F |r|
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(OC(F)(F)F)c1 |r|
Fc1cc(NC(=O)CC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F
CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1 |r|
CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |w:2.2|
CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:13:20:16.17.18,THB:22:17:20:13.21.14,21:13:16:20.19.18,21:19:16:13.22.14,12:13:20:16.17.18|
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl
OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
O=C(NC1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10,9:10:13:17.16.15|
O=C(NCC1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16|
CCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17|
CCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:19:11:14:18.16.17,19:17:14:12.11.20,16:15:12:19.18.17,16:17:12:15.14.20|
CCCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:21:13:16:20.18.19,21:19:16:14.13.22,18:17:14:21.20.19,18:19:14:17.16.22|
CCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:20:12:15:19.17.18,20:18:15:13.12.21,17:16:13:20.19.18,17:18:13:16.15.21|
CCCCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:14:17:21.19.20,22:20:17:15.14.23,19:18:15:22.21.20,19:20:15:18.17.23|
CCCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:21:13:16:20.18.19,21:19:16:14.13.22,18:17:14:21.20.19,18:19:14:17.16.22|
O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|
O=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)cc1
O=S(=O)(/N=C(O)\NC23CC1CC(CC(C1)C2)C3)c4ccccc4
O=S(=O)(/N=C(O)\NC23CC1CC(CC(C1)C2)C3)c5ccc4ccccc4c5
O=S(=O)(/N=C(O)\NC23CC1CC(CC(C1)C2)C3)c4ccc(F)cc4
O=S(=O)(/N=C(O)\NC23CC1CC(CC(C1)C2)C3)c4ccc(Cl)cc4
O=S(=O)(/N=C(O)\NC23CC1CC(CC(C1)C2)C3)c4ccc(OC(F)(F)F)cc4
C/C(N)=N\C(=N\S(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC34CC2CC(CC(C2)C3)C4
CS/C(N)=N/C(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC34CC2CC(CC(C2)C3)C4
C[Se]/C(N)=N/C(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC34CC2CC(CC(C2)C3)C4
O=S(=O)(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccccc1
O=S(=O)(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)(F)F)cc1
NN/C(=N/S(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC34CC2CC(CC(C2)C3)C4
CCCCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
CCCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
O=C(Nc1ccc(OC(F)(F)F)cc1)NC3CCN(C(=O)C2CCOCC2)CC3
O=C(Nc1ccc(OC(F)(F)F)cc1)NC3CCN(C(=O)c2cc[nH]c2)CC3
O=C(Nc1ccc(CC(F)(F)F)cc1)NC3CCN(C(=O)c2ccoc2)CC3
O=C(Nc1ccc(OC(F)(F)F)cc1)NC3CCN(C(=O)[C@@H]2CCOC2)CC3
O=C(Nc1ccc(OC(F)(F)F)cc1)NC3CCN(C(=O)C2=COCC2)CC3
Cc1occc1C(=O)N3CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC3
Cc1ccoc1C(=O)N3CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC3
O=C(Nc1ccc(OC(F)(F)F)cc1)NC3CCN(C(=O)C2CCCOC2)CC3
O=C(Nc1ccc(C(F)(F)F)cc1)NC3CCN(C(=O)C2CCOCC2)CC3
O=C(Nc1ccc(C(F)(F)F)cc1)NC3CCN(C(=O)c2ccoc2)CC3
O=C(Nc1ccc(C(F)(F)F)cc1)NC3CCN(C(=O)[C@@H]2CCOC2)CC3
O=C(Nc1ccc(C(F)(F)F)cc1)NC3CCN(C(=O)C2=COCC2)CC3
Cc1occc1C(=O)N3CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC3
Cc1occc1C(=O)N3CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC3
O=C(Nc1ccc(C(F)(F)F)cc1)NC3CCN(C(=O)C2CCCOC2)CC3
O=C(Nc1ccc(C(F)(F)F)cc1)NC3CCN(C(=O)c2cc[nH]c2)CC3
O=C(Nc1ccc(OC(F)(F)F)cc1)NC3CCN(C(=O)C2CCOC2)CC3
O=C(Nc1ccc(C(F)(F)F)cc1)NC3CCN(C(=O)C2CCOC2)CC3
CC(C)C(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1)CC2
CC(C)C(=O)N2CCC(NC(=O)Nc1ccc(C(F)(F)F)c(F)c1)CC2
CC(C)C(=O)N2CCC(CC(=O)Nc1ccc(OC(F)(F)F)c(F)c1)CC2
O=C(O)CC3(CC(=O)N2CCC(NC(=O)Nc1ccc(C(F)(F)F)cc1)CC2)CCCCC3
CCC(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1)CC2
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC3CCN(C(=O)C2CC2)CC3
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC3CCN(C(=O)[C@@H]2CCOC2)CC3
CC[C@H](C)C(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1)CC2
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC3CCN(C(=O)C2CCCOC2)CC3
O=C(Nc1ccc(C(F)(F)F)cc1)NC3CCN(C(=O)C2(C(F)(F)F)CC2)CC3
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC3CCN(C(=O)C2CCOCC2)CC3
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC3CCN(C(=O)C2(C(F)(F)F)CC2)CC3
CCC(=O)N2CCC(NC(=O)Nc1ccc(C(F)(F)F)c(F)c1)CC2
O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC3CCN(C(=O)C2CC2)CC3
O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC3CCN(C(=O)C2CCOC2)CC3
CC[C@H](C)C(=O)N2CCC(NC(=O)Nc1ccc(C(F)(F)F)c(F)c1)CC2
O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC3CCN(C(=O)C2CCCOC2)CC3
O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC3CCN(C(=O)C2(C(F)(F)F)CC2)CC3
O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC3CCN(C(=O)C2CCOCC2)CC3
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)Nc2ccc(OC(F)(F)F)c(F)c2
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC4CCN(C(=O)N3CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC3)CC4
CCOC(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1)CC2
CCOC(=O)N2CCC(NC(=O)Nc1ccc(C(F)(F)F)c(F)c1)CC2
CC[C@H](C)C(=O)N2CCC(NC(=O)Nc1ccc(C(F)(F)F)nc1)CC2
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC3CCN(C(=O)N2CCOCC2)CC3
CC[C@H](C)C(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)CC2
CC[C@H](C)C(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)CC2
CC[C@H](C)C(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1)CC2
CC[C@H](C)C(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(OC(F)(F)F)c1)CC2
O=C(CC2CCN(C(=O)C1CC1)CC2)Nc3ccc(OC(F)(F)F)c(F)c3
CC[C@H](C)C(=O)N2CCC(CC(=O)Nc1ccc(OC(F)(F)F)c(F)c1)CC2
CCC(C)C(=O)N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1)CC2
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(C(O)=O)c(F)c1
Cc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1Cl)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(CO)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(C=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)C#N
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(N)=O
CNC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)-c1nnn[nH]1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O
CC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
COc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CCOc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1
C[S+]([O-])c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)S(N)(=O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1Cl
OC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
OC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(O)=O
CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)C(O)=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(CC(O)=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(CCC(O)=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)C(O)=O
CC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CN(C)C(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(N)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1
CSc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(SC(F)(F)F)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(N)cc1Cl
OC(=O)c1ccc(CNC(=O)c2cccc(c2)-c2ccccc2)cc1
COc1cc(ccc1C(C)(C)C)C(=O)NCc1ccc(cc1)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(OCC(O)=O)cc1
COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3
CNc1nc(C)nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)n1 |r|
COc1ccc(cc1OC1CCCC1)C(=O)NCc1ccccc1C(F)(F)F
COc1ccc(cc1OC1CCCC1)C(=O)NCc1ccccc1C
COc1ccc(CNC(=O)c2ccc(F)cc2)c(c1)C(F)(F)F
COc1ccc(CNC(=O)c2cccc(NC(C)=O)c2)c(c1)C(F)(F)F
CCC(=O)Nc1cccc(c1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
COc1ccc(CNC(=O)c2ccc(OC)c(OC3CCCC3)c2)c(c1)C(F)(F)F
COc1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)c(c1)C(F)(F)F
CCC(=O)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
CCCN1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
CCN1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
CCC(C)C(=O)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
CCCC(=O)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
COc1ccc(CNC(=O)C2CCNCC2)c(c1)C(F)(F)F
COc1ccc(CNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)c(c1)C(F)(F)F
COc1ccc(CNC(=O)c2ccc(OC(F)F)cc2)c(c1)C(F)(F)F
COc1ccc(cc1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
COc1ccc(CNC(=O)c2ccc3CC(=O)Nc3c2)c(c1)C(F)(F)F
COc1ccc(CNC(=O)c2ccc(C)c(NC(C)=O)c2)c(c1)C(F)(F)F
COc1ccc(CNC(=O)c2ccccc2)c(c1)C(F)(F)F
COc1ccc(CNC(=O)c2ccc(F)c(OC3CCCC3)c2)c(c1)C(F)(F)F
COc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)c(c1)C(F)(F)F
S=C(NC1C2CC3CC(C2)CC1C3)Nc1ccccc1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(59.84,-37.47,;59.82,-35.93,;58.48,-35.17,;57.15,-35.96,;57.13,-37.49,;55.73,-37.84,;54.4,-37.35,;53.2,-38.63,;54.7,-38.21,;56.13,-38.78,;54.7,-36.62,;55.74,-35.38,;54.39,-35.86,;61.15,-35.14,;62.49,-35.9,;62.5,-37.44,;63.84,-38.19,;65.17,-37.41,;65.15,-35.86,;63.8,-35.11,)|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)Nc1ccc(F)cc1 |TLB:10:9:7:4.3.2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10,12:9:7:4.3.2|
S=C(NCCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:30:22:25:29.28.27,30:28:25:31.23.22,16:17:14.15.20:12,16:15:12:18.17.19,19:17:14:20.11.12,19:11:14:18.17.16,23:24:27:31.22.30,23:22:25.24.29:27|
S=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:2:3:5:9.7.8,17:20:23:27.26.25,THB:10:8:5:12.11.3,10:11:5:9.7.8,21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,7:6:3:9.8.10,7:8:5.6.12:3,(83.22,-16.26,;83.22,-17.8,;84.55,-18.57,;85.89,-17.8,;87.29,-18.31,;88.08,-19.88,;88.21,-18.33,;89.23,-17.19,;88.37,-15.8,;88.21,-17.23,;86.94,-15.24,;85.91,-16.37,;86.71,-17.78,;81.88,-18.57,;80.55,-17.8,;80.56,-16.25,;79.22,-15.48,;77.89,-16.25,;77.89,-17.8,;79.22,-18.57,;76.55,-15.49,;75.54,-16.77,;74.12,-16.21,;72.62,-16.63,;73.81,-15.34,;73.81,-13.85,;75.15,-13.37,;74.11,-14.61,;76.57,-13.95,;75.14,-15.83,)|
S=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,2:3:6:10.9.8,THB:22:14:17:21.20.19,22:20:17:23.15.14,4:3:6.5.10:8,4:5:8:12.3.11,11:3:6:10.9.8,11:9:6:12.3.4,15:16:19:23.14.22,15:14:17.16.21:19|
S=C(NCCCCCCCCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:27:28:31:35.34.33,THB:36:28:31:35.34.33,36:34:31:37.29.28,22:23:20.21.26:18,22:21:18:24.23.25,25:23:20:26.17.18,25:17:20:24.23.22,29:30:33:37.28.36,29:28:31.30.35:33|
S=C(NCCCCCCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29:33.32.31,THB:34:26:29:33.32.31,34:32:29:35.27.26,20:21:18.19.24:16,20:19:16:22.21.23,23:21:18:24.15.16,23:15:18:22.21.20,27:28:31:35.26.34,27:26:29.28.33:31|
S=C(NCCCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:22:23:26:30.29.28,11:12:15:19.18.17,THB:31:23:26:30.29.28,31:29:26:32.24.23,13:12:15.14.19:17,13:14:17:21.12.20,20:12:15:19.18.17,20:18:15:21.12.13,24:25:28:32.23.31,24:23:26.25.30:28|
CC(NC(=S)Nc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 |TLB:1:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
S=C(NCCCCCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,24:25:28:32.31.30,THB:33:25:28:32.31.30,33:31:28:34.26.25,15:14:17.16.21:19,15:16:19:23.14.22,22:14:17:21.20.19,22:20:17:23.14.15,26:27:30:34.25.33,26:25:28.27.32:30|
S=C(NCCCCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.30.29,THB:32:24:27:31.30.29,32:30:27:33.25.24,18:19:16.17.22:14,18:17:14:20.19.21,21:19:16:22.13.14,21:13:16:20.19.18,25:26:29:33.24.32,25:24:27.26.31:29|
S=C(Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:23:26:29:33.32.31,6:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,27:26:29.28.33:31,27:28:31:35.26.34,17:9:12:16.15.14,17:15:12:18.10.9,34:26:29:33.32.31,34:32:29:35.26.27|
S=C(NCC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:18:22.21.20,3:4:7:11.10.9,THB:5:4:7.6.11:9,5:6:9:13.4.12,23:15:18:22.21.20,23:21:18:24.16.15,12:4:7:11.10.9,12:10:7:13.4.5,16:17:20:24.15.23,16:15:18.17.22:20|
S=C(NCCc1ccccc1)NC1C2CC3CC(C2)CC1C3 |TLB:18:17:21:14.13.12,18:13:16.17.19:21,THB:12:13:16:19.20.21,12:20:16:14.18.13,11:12:16.17.19:21,(8.36,-46.85,;8.34,-45.31,;9.67,-44.52,;11.01,-45.28,;12.33,-44.49,;13.68,-45.25,;13.69,-46.79,;15.03,-47.54,;16.35,-46.76,;16.33,-45.21,;14.99,-44.46,;7,-44.55,;5.68,-45.34,;5.66,-46.87,;4.25,-47.22,;2.93,-46.73,;1.73,-48.01,;3.23,-47.59,;4.65,-48.16,;3.23,-46,;4.26,-44.76,;2.92,-45.24,)|
S=C(NCc1ccccc1)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(75.27,-37.57,;75.25,-36.02,;76.58,-35.24,;77.92,-35.99,;79.25,-35.21,;80.59,-35.97,;81.91,-35.18,;81.89,-33.64,;80.54,-32.89,;79.22,-33.67,;73.91,-35.27,;72.58,-36.05,;72.56,-37.59,;71.16,-37.94,;69.83,-37.45,;68.63,-38.73,;70.14,-38.31,;71.56,-38.88,;70.13,-36.72,;71.17,-35.48,;69.82,-35.95,)|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)Nc1ccc(Cl)cc1 |TLB:10:9:7:2.3.4,THB:12:9:7:2.3.4,11:1:4:8.9.10,11:9:7.1.2:4,0:1:4:8.9.10,10:3:7:8.11.9|
Fc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
O=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,13:14:17:21.20.19,2:3:6:10.9.8,12:3:10:6.7.8,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,12:7:10:3.11.4,11:3:6:10.9.8,11:9:6:3.12.4|
CC(N=C(S)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:21:15.14.20,THB:16:15:21:17.22.18,18:17:14:19.21.20,18:19:14:17.22.16|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)NCc1ccccc1 |TLB:10:9:7:4.3.2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10,12:9:7:4.3.2|
CCC(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1 |TLB:3:4:7:11.10.9,THB:5:6:9:13.4.12,5:4:7.6.11:9,12:4:7:11.10.9,12:10:7:13.5.4|
CC(NC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)Nc1ccccc1 |TLB:10:9:7:4.3.2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10,12:9:7:4.3.2|
S=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3 |TLB:2:3:5:9.8.7,13:14:16:20.18.19,THB:21:19:16:23.22.14,21:22:16:20.18.19,7:8:5.6.12:3,7:6:3:9.8.10,10:8:5:12.11.3,10:11:5:9.8.7,18:17:14:20.19.21,18:19:16.17.23:14,(9.35,-23.75,;9.35,-25.3,;8.01,-26.07,;6.68,-25.3,;5.26,-25.79,;4.45,-27.35,;4.35,-25.79,;3.34,-24.64,;4.22,-23.26,;4.36,-24.7,;5.66,-22.73,;6.68,-23.87,;5.85,-25.27,;10.69,-26.07,;12.02,-25.3,;13.43,-25.81,;14.22,-27.38,;14.35,-25.82,;15.37,-24.68,;14.52,-23.29,;14.35,-24.73,;13.08,-22.74,;12.04,-23.86,;12.85,-25.27,)|
S=C(NCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,9:10:13:17.16.15,THB:29:21:24:28.27.26,29:27:24:30.22.21,11:10:13.12.17:15,11:12:15:19.10.18,18:10:13:17.16.15,18:16:13:19.10.11,22:23:26:30.21.29,22:21:24.23.28:26|
S=C(NCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:28:20:23:27.26.25,28:26:23:29.21.20,14:15:12.13.18:10,14:13:10:16.15.17,17:15:12:18.9.10,17:9:12:16.15.14,21:22:25:29.20.28,21:20:23.22.27:25|
S=C(NCCC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3 |TLB:4:5:8:12.11.10,15:16:18:22.20.21,THB:13:5:8:12.11.10,13:11:8:14.6.5,20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,6:7:10:14.5.13,6:5:8.7.12:10,(65.04,-14.59,;65.04,-16.14,;63.7,-16.91,;62.37,-16.14,;61.03,-16.91,;59.7,-16.14,;58.69,-17.43,;57.27,-16.86,;55.76,-17.28,;56.96,-16,;56.95,-14.5,;58.3,-14.02,;57.26,-15.27,;59.72,-14.6,;58.29,-16.49,;66.38,-16.91,;67.71,-16.14,;69.12,-16.65,;69.91,-18.22,;70.04,-16.66,;71.06,-15.53,;70.2,-14.13,;70.04,-15.57,;68.77,-13.58,;67.73,-14.71,;68.54,-16.11,)|
CC(NC(=S)NC1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2 |TLB:1:16:19:23.22.21,5:6:8:12.11.10,THB:24:16:19:23.22.21,24:22:19:25.17.16,10:11:8.9.15:6,10:9:6:12.11.13,13:11:8:15.14.6,13:14:8:12.11.10,17:18:21:25.16.24,17:16:19.18.23:21,(43.11,-17.74,;43.11,-16.2,;44.45,-15.43,;45.79,-16.2,;45.79,-17.74,;47.12,-15.43,;48.46,-16.2,;49.72,-15.4,;50.16,-13.69,;50.62,-15.19,;51.86,-16.08,;51.33,-17.62,;50.86,-16.25,;50.04,-18.47,;48.79,-17.6,;49.27,-16.05,;41.78,-15.43,;40.77,-16.72,;39.35,-16.15,;37.84,-16.57,;39.04,-15.29,;39.04,-13.79,;40.39,-13.31,;39.34,-14.56,;41.8,-13.89,;40.38,-15.78,)|
S=C(NCC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3 |TLB:3:4:7:11.10.9,14:15:17:21.20.19,THB:12:4:7:11.10.9,12:10:7:13.5.4,19:20:17.18.24:15,19:18:15:21.20.22,22:20:17:24.23.15,22:23:17:21.20.19,5:6:9:13.4.12,5:4:7.6.11:9,(26.99,-17.63,;26.99,-16.08,;25.65,-15.31,;24.32,-16.08,;22.99,-15.32,;21.98,-16.6,;20.55,-16.04,;19.05,-16.46,;20.25,-15.17,;20.24,-13.67,;21.59,-13.2,;20.55,-14.44,;23,-13.78,;21.58,-15.66,;28.33,-15.31,;29.66,-16.08,;30.93,-15.28,;31.36,-13.58,;31.82,-15.07,;33.07,-15.96,;32.53,-17.51,;32.06,-16.14,;31.24,-18.36,;29.99,-17.48,;30.48,-15.93,)|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)NC1C2CC3CC(C2)CC1C3 |TLB:10:9:7:2.3.4,22:17:20.21.23:25,22:21:25:18.17.16,THB:10:3:7:8.11.9,12:9:7:2.3.4,15:16:20.21.23:25,16:17:20:23.24.25,16:24:20:18.17.22,11:1:4:8.9.10,11:9:7.1.2:4,(2.76,-17.7,;3.54,-16.38,;3.54,-14.78,;4.58,-13.54,;3.23,-14.02,;3.24,-15.51,;1.69,-15.5,;2.04,-16.8,;4.57,-16,;5.97,-15.66,;5.99,-14.12,;4.97,-16.94,;7.3,-16.42,;8.64,-15.65,;8.64,-14.11,;9.98,-16.43,;11.31,-15.65,;12.55,-16.57,;13.68,-15.66,;14.09,-14.31,;15.84,-14.13,;14.6,-15.07,;14.19,-16.55,;13.33,-14.1,;11.71,-14.18,;12.91,-13.39,)|
S=C(NC1C2CC3CC(C2)CC1C3)NC12CC3CC(CC(C3)C1)C2 |TLB:9:4:7.8.10:12,9:8:12:5.4.3,13:14:17:21.20.19,THB:22:14:17:21.20.19,22:20:17:23.15.14,2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.4.9,15:16:19:23.14.22,15:14:17.16.21:19,(75.74,-5.32,;75.74,-6.86,;77.07,-7.63,;78.41,-6.86,;79.65,-7.78,;80.78,-6.87,;81.19,-5.51,;82.94,-5.34,;81.69,-6.28,;81.28,-7.76,;80.43,-5.31,;78.81,-5.38,;80.01,-4.6,;74.4,-7.63,;73.07,-6.86,;72.06,-8.15,;70.64,-7.58,;69.13,-8.01,;70.33,-6.72,;70.32,-5.22,;71.67,-4.74,;70.63,-5.99,;73.09,-5.32,;71.66,-7.21,)|
S=C(NCCC12CC3CC(CC(C3)C1)C2)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:4:5:8:12.11.10,19:22:25:29.28.27,THB:13:5:8:12.11.10,13:11:8:14.6.5,23:22:25.24.29:27,23:24:27:31.22.30,30:22:25:29.28.27,30:28:25:31.22.23,6:7:10:14.5.13,6:5:8.7.12:10|
CC(NC(=S)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:1:22:25:29.28.27,THB:30:22:25:29.28.27,30:28:25:31.23.22,13:12:15.14.19:17,13:14:17:21.12.20,20:12:15:19.18.17,20:18:15:21.12.13,23:24:27:31.22.30,23:22:25.24.29:27|
S=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:3:4:7:11.10.9,THB:12:4:7:11.10.9,12:10:7:13.5.4,22:21:24.23.28:26,22:23:26:30.21.29,29:21:24:28.27.26,29:27:24:30.21.22,5:6:9:13.4.12,5:4:7.6.11:9|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:10:9:7:4.3.2,19:22:25:29.28.27,THB:10:3:7:11.8.9,23:22:25.24.29:27,23:24:27:31.22.30,12:9:7:4.3.2,30:22:25:29.28.27,30:28:25:31.22.23,8:5:2:11.9.10,8:9:7.5.4:2,6:5:2:11.9.10|
S=C(Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,6:9:12:16.15.14,THB:28:20:23:27.26.25,28:26:23:29.21.20,10:9:12.11.16:14,10:11:14:18.9.17,17:9:12:16.15.14,17:15:12:18.9.10,21:22:25:29.20.28,21:20:23.22.27:25|
CC(NC(=S)NC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:5:6:9:13.12.11,1:16:19:23.22.21,THB:17:16:19.18.23:21,17:18:21:25.16.24,14:6:9:13.12.11,14:12:9:15.7.6,24:16:19:23.22.21,24:22:19:25.16.17,7:8:11:15.6.14,7:6:9.8.13:11|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19:23.22.21,10:9:7:4.3.2,THB:24:16:19:23.22.21,24:22:19:25.17.16,8:9:7.5.4:2,8:5:2:11.9.10,12:9:7:4.3.2,10:3:7:11.9.8,6:5:2:11.9.10,17:18:21:25.16.24,17:16:19.18.23:21|
Clc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Fc1ccc(NC(=S)NCCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
CC(NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Fc1cccc(NC(=S)NCCC23CC4CC(CC(C4)C2)C3)c1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Fc1cccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)c1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)Nc1cccc(F)c1 |TLB:10:9:7:4.3.2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10,12:9:7:4.3.2|
CC(NC(=S)NCCc1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
S=C(NCCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=S)NCCc1ccccc1 |TLB:10:9:7:4.3.2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10,12:9:7:4.3.2|
S=C(NCCc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Cc1nnc(o1)-c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.11,wD:14.18,(78.39,-21.64,;76.86,-21.8,;76.09,-23.13,;74.58,-22.81,;74.42,-21.28,;75.83,-20.65,;73.09,-20.51,;71.75,-21.28,;70.42,-20.5,;70.43,-18.97,;69.1,-18.19,;67.76,-18.96,;67.75,-20.5,;66.43,-21.27,;65.1,-20.49,;65.08,-18.96,;66.43,-18.19,;63.76,-21.26,;62.43,-20.49,;62.43,-18.95,;61.1,-21.27,;59.76,-20.5,;58.43,-21.27,;57.09,-20.5,;57.09,-18.95,;55.76,-18.18,;55.76,-16.64,;55.76,-15.24,;57.01,-15.63,;54.51,-15.63,;58.42,-18.18,;59.76,-18.95,;71.75,-18.2,;73.08,-18.96,)|
CC(=O)Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(25.82,-10.05,;24.48,-9.28,;24.49,-7.74,;23.15,-10.05,;21.82,-9.28,;20.48,-10.05,;19.15,-9.27,;19.16,-7.73,;17.83,-6.96,;16.49,-7.73,;16.48,-9.27,;15.16,-10.03,;13.83,-9.26,;13.82,-7.73,;15.16,-6.96,;12.49,-10.03,;11.16,-9.26,;11.16,-7.72,;9.83,-10.03,;8.49,-9.27,;7.16,-10.04,;5.82,-9.27,;5.82,-7.72,;4.49,-6.95,;4.49,-5.41,;4.49,-4.01,;5.74,-4.4,;3.24,-4.4,;7.15,-6.95,;8.49,-7.72,;20.48,-6.97,;21.81,-7.73,)|
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)|
COc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:7.6,wD:10.13,(76.11,-41.33,;74.78,-42.09,;73.45,-41.32,;72.11,-42.09,;70.78,-41.32,;70.79,-39.78,;69.45,-39.01,;68.12,-39.77,;68.11,-41.31,;66.78,-42.08,;65.46,-41.3,;65.44,-39.77,;66.78,-39,;64.12,-42.08,;62.79,-41.31,;62.79,-39.77,;61.46,-42.08,;60.12,-41.31,;58.78,-42.08,;57.45,-41.31,;57.45,-39.77,;56.12,-39,;56.12,-37.46,;56.12,-36.06,;57.36,-36.44,;54.87,-36.44,;58.78,-39,;60.12,-39.76,;72.11,-39.01,;73.44,-39.78,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)cc2)cc1 |r,wU:8.7,wD:11.14,(55.22,-32.7,;53.89,-33.47,;53.89,-35.01,;52.55,-32.7,;51.22,-33.47,;49.89,-32.69,;49.9,-31.15,;48.56,-30.38,;47.23,-31.15,;47.22,-32.69,;45.89,-33.45,;44.57,-32.68,;44.55,-31.14,;45.89,-30.38,;43.23,-33.45,;41.9,-32.68,;41.9,-31.14,;40.57,-33.45,;39.23,-32.69,;37.89,-33.46,;36.56,-32.69,;36.56,-31.14,;35.23,-30.37,;37.89,-30.37,;39.23,-31.14,;51.22,-30.38,;52.55,-31.15,)|
OC(=O)c1ccc(OC2CCN(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F
CC(C)OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.10,wD:14.17,(26.92,-41.02,;25.58,-41.79,;25.58,-43.33,;24.25,-41.01,;22.92,-41.78,;22.91,-43.32,;21.58,-41.01,;20.24,-41.78,;18.91,-41.01,;18.92,-39.47,;17.59,-38.69,;16.26,-39.46,;16.25,-41,;14.92,-41.77,;13.59,-40.99,;13.58,-39.46,;14.92,-38.69,;12.26,-41.76,;10.93,-41,;10.92,-39.46,;9.59,-41.77,;8.26,-41,;6.92,-41.77,;5.59,-41,;5.59,-39.46,;4.26,-38.69,;4.26,-37.15,;4.25,-35.75,;5.5,-36.13,;3.01,-36.13,;6.92,-38.69,;8.25,-39.45,;20.25,-38.7,;21.58,-39.46,)|
NC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(24.95,-19.24,;23.62,-20.01,;23.61,-21.55,;22.28,-19.24,;20.95,-20.01,;19.62,-19.24,;19.62,-17.7,;18.29,-16.93,;16.96,-17.69,;16.95,-19.23,;15.62,-20,;14.29,-19.22,;14.28,-17.69,;15.62,-16.92,;12.96,-19.99,;11.63,-19.23,;11.62,-17.69,;10.29,-20,;8.96,-19.23,;7.62,-20,;6.29,-19.23,;6.29,-17.69,;4.96,-16.92,;4.96,-15.38,;4.95,-13.98,;6.2,-14.36,;3.71,-14.36,;7.62,-16.92,;8.95,-17.68,;20.95,-16.93,;22.28,-17.69,)|
Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)|
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(C=O)cc2)cc1 |r,wU:16.19,wD:13.12,(30.72,-33.27,;30.72,-34.67,;31.96,-33.65,;29.47,-33.65,;30.72,-36.21,;32.05,-36.98,;32.05,-38.52,;33.38,-39.29,;34.72,-38.52,;36.06,-39.29,;37.39,-38.52,;37.39,-36.98,;38.72,-39.28,;40.06,-38.51,;41.38,-39.29,;42.71,-38.52,;42.72,-36.98,;41.38,-36.21,;40.04,-36.98,;44.05,-36.22,;45.39,-36.99,;45.38,-38.53,;46.71,-39.3,;48.04,-38.53,;49.38,-39.3,;49.38,-40.84,;48.04,-36.98,;46.71,-36.22,;34.72,-36.97,;33.38,-36.21,)|
OC(=O)c1ccc(OCCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC2CCCCC2)cc1 |r,wU:8.7,wD:11.14,(23.43,-6.87,;22.09,-7.64,;22.09,-9.18,;20.75,-6.87,;19.41,-7.63,;18.08,-6.86,;18.09,-5.32,;16.77,-4.55,;15.43,-5.32,;15.42,-6.86,;14.09,-7.62,;12.76,-6.85,;12.75,-5.31,;14.09,-4.54,;11.43,-7.62,;10.09,-6.85,;10.09,-5.31,;8.76,-7.62,;7.42,-6.86,;7.43,-5.32,;6.11,-4.55,;4.77,-5.32,;4.77,-6.86,;6.1,-7.63,;19.42,-4.55,;20.75,-5.32,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(F)cc2)cc1 |r,wU:8.7,wD:11.14,(54.75,-18.54,;53.42,-19.3,;53.42,-20.84,;52.09,-18.53,;50.75,-19.3,;49.42,-18.53,;49.43,-16.99,;48.09,-16.22,;46.76,-16.98,;46.75,-18.52,;45.43,-19.29,;44.1,-18.51,;44.08,-16.98,;45.43,-16.21,;42.76,-19.29,;41.43,-18.52,;41.43,-16.98,;40.1,-19.29,;38.76,-18.52,;37.43,-19.29,;36.09,-18.52,;36.09,-16.98,;34.76,-16.21,;37.42,-16.21,;38.76,-16.97,;50.75,-16.22,;52.08,-16.99,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccccc2)cc1 |r,wU:8.7,wD:11.14,(54.56,-7.85,;53.23,-8.62,;53.23,-10.16,;51.89,-7.85,;50.56,-8.62,;49.23,-7.84,;49.24,-6.3,;47.9,-5.53,;46.57,-6.3,;46.56,-7.84,;45.23,-8.6,;43.91,-7.83,;43.89,-6.29,;45.23,-5.53,;42.57,-8.6,;41.24,-7.83,;41.24,-6.29,;39.91,-8.6,;38.57,-7.84,;37.23,-8.61,;35.9,-7.84,;35.9,-6.29,;37.23,-5.52,;38.56,-6.29,;50.56,-5.53,;51.89,-6.3,)|
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(4.12,-15.13,;4.12,-16.53,;5.37,-15.51,;2.87,-15.51,;4.12,-18.07,;5.46,-18.84,;5.46,-20.38,;6.79,-21.15,;8.13,-20.38,;9.46,-21.15,;10.79,-20.38,;10.79,-18.84,;12.13,-21.15,;13.46,-20.37,;14.79,-21.15,;16.12,-20.38,;16.12,-18.84,;14.79,-18.07,;13.45,-18.84,;17.46,-18.08,;18.79,-18.85,;18.78,-20.39,;20.11,-21.16,;21.45,-20.39,;21.45,-18.85,;20.12,-18.08,;22.78,-21.17,;22.78,-22.71,;24.12,-20.4,;25.45,-21.17,;26.79,-20.4,;28.12,-21.17,;29.45,-20.4,;29.45,-18.86,;28.11,-18.09,;26.78,-18.86,;8.12,-18.83,;6.79,-18.07,)|
OC(=O)c1ccc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1
OCCNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.10,wD:14.17,(55.98,-29.23,;54.65,-28.46,;53.32,-29.23,;51.98,-28.46,;50.65,-29.23,;50.65,-30.77,;49.32,-28.46,;47.98,-29.23,;46.65,-28.45,;46.66,-26.91,;45.33,-26.14,;43.99,-26.91,;43.99,-28.45,;42.66,-29.21,;41.33,-28.44,;41.32,-26.9,;42.66,-26.14,;40,-29.21,;38.66,-28.44,;38.66,-26.9,;37.33,-29.21,;35.99,-28.45,;34.66,-29.22,;33.32,-28.45,;33.32,-26.9,;31.99,-26.13,;31.99,-24.59,;31.99,-23.19,;33.24,-23.58,;30.74,-23.58,;34.65,-26.13,;35.99,-26.9,;47.98,-26.14,;49.32,-26.91,)|
COC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(26.35,-29.49,;25.02,-28.72,;23.68,-29.49,;23.68,-31.03,;22.35,-28.71,;21.01,-29.48,;19.68,-28.71,;19.69,-27.17,;18.36,-26.4,;17.03,-27.16,;17.02,-28.7,;15.69,-29.47,;14.36,-28.69,;14.35,-27.16,;15.69,-26.39,;13.03,-29.47,;11.7,-28.7,;11.69,-27.16,;10.36,-29.47,;9.03,-28.7,;7.69,-29.47,;6.36,-28.7,;6.36,-27.16,;5.03,-26.39,;5.03,-24.85,;5.02,-23.45,;6.27,-23.83,;3.78,-23.83,;7.69,-26.39,;9.02,-27.15,;21.02,-26.4,;22.35,-27.17,)|
OCc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:7.6,wD:10.13,(76.52,-9.79,;75.18,-10.56,;73.85,-9.79,;72.51,-10.56,;71.18,-9.79,;71.19,-8.25,;69.86,-7.47,;68.52,-8.24,;68.52,-9.78,;67.19,-10.55,;65.86,-9.77,;65.85,-8.24,;67.19,-7.47,;64.53,-10.54,;63.19,-9.78,;63.19,-8.24,;61.86,-10.55,;60.53,-9.78,;59.19,-10.55,;57.85,-9.78,;57.86,-8.24,;56.52,-7.47,;56.52,-5.93,;56.52,-4.53,;57.77,-4.91,;55.27,-4.91,;59.18,-7.47,;60.52,-8.23,;72.52,-7.48,;73.85,-8.24,)|
FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
COC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:13.12,wD:16.19,(29.69,-8.45,;28.35,-9.22,;27.02,-8.45,;27.02,-6.91,;25.68,-9.22,;24.35,-8.45,;23.02,-9.22,;23.02,-10.76,;21.68,-8.45,;20.35,-9.21,;19.02,-8.44,;19.03,-6.9,;17.69,-6.13,;16.36,-6.9,;16.35,-8.44,;15.02,-9.2,;13.7,-8.43,;13.68,-6.89,;15.02,-6.12,;12.36,-9.2,;11.03,-8.43,;11.03,-6.89,;9.7,-9.2,;8.36,-8.43,;7.02,-9.21,;5.69,-8.44,;5.69,-6.89,;4.36,-6.12,;4.36,-4.58,;4.36,-3.18,;5.6,-3.56,;3.11,-3.56,;7.02,-6.12,;8.36,-6.88,;20.35,-6.13,;21.68,-6.9,)|
OC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:12.11,wD:15.18,(55.81,-41.23,;54.47,-40.46,;54.47,-38.92,;53.14,-41.23,;51.81,-40.46,;50.47,-41.23,;50.47,-42.77,;49.14,-40.46,;47.8,-41.23,;46.47,-40.45,;46.48,-38.91,;45.15,-38.14,;43.81,-38.91,;43.81,-40.45,;42.48,-41.21,;41.15,-40.44,;41.14,-38.91,;42.48,-38.14,;39.82,-41.21,;38.48,-40.44,;38.48,-38.9,;37.15,-41.21,;35.81,-40.45,;34.48,-41.22,;33.14,-40.45,;33.15,-38.9,;31.81,-38.13,;31.81,-36.59,;31.81,-35.19,;33.06,-35.58,;30.56,-35.58,;34.47,-38.13,;35.81,-38.9,;47.81,-38.15,;49.14,-38.91,)|
[H][C@]12[C@H](C)CC(=O)[C@H](O)[C@@]1(O)[C@H](O)[C@@]1(C)C3=CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@]1([H])OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C |r,t:16|
[H][C@@]12C[C@@H](C)[C@@]3([H])[C@@](O[C@H]1C(C)(C)O)(O2)[C@H](O)[C@@]1(C)C2=CC[C@]4([H])[C@]5(C[C@@]25C[C@@H](O)[C@]31C)CC[C@H](O[C@]1([H])OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C |r,t:21|
[H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7OC(C)=O)C(C)(C)[C@]5([H])CC=C6[C@]4(C)[C@@H](O)[C@]3(O[C@H]1C(C)(C)O)O2 |r,c:40|
[H][C@]12O[C@@]34O[C@@]1(C[C@@H](C)[C@]3([H])[C@@]1(C)CC[C@@]35C[C@@]33CC[C@H](O[C@]6([H])OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@]3([H])CC=C5[C@]1(C)[C@H]4O)OCC2(C)O |r,c:43|
[H][C@@]12O[C@]3(O)[C@H](O)C(C)(C)O[C@]3([H])[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@]5([H])OC[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O |r|
[H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC=C6[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)(C)OC(C)=O)O2 |r,c:37|
[H][C@]12[C@H](C)C[C@@]([H])(O[C@@]1(O)[C@H](O)[C@@]1(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@]1([H])OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C)[C@@H](OC(C)=O)C(C)(C)O |r|
[H][C@]12[C@H](C)C[C@@]([H])(O[C@@]1(O)[C@H](O)[C@@]1(C)C3=CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@]1([H])OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C)[C@@H](O)C(C)(C)O |r,t:15|
[H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC=C6[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)(C)OC)O2 |r,c:37|
[H][C@]1([C@H](C)C[C@@H](OC(C)=O)[C@@H](O)C(C)(C)O)C(=O)[C@H](O)[C@@]2(C)C3=CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@]1([H])OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C |r,t:22|
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1cccc(Cl)c1
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1cccc(c1)C(F)(F)F
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1cccc(F)c1
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1cccc(Cl)c1
[H][C@@]12CC=C(C)C(=O)C1=C(O)c1ccccc1[C@@H]2O |r,t:3,9|
Cc1ccc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc3c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
CCCCCCCCCCCCNC(=O)NC1CCCCC1
O=C(NCC[C@H]1CN[C@@H](Cc2ccccc2)CN1)NC12CC3CC(CC(C3)C1)C2 |r,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
O=C(Nc1cccc(c1)C(=O)N1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
CC(=O)N1CCN(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
CC(=O)N1CCN(CC1)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:23:24:27:31.30.29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
CC(=O)N1CCN(CC1)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:18:19:22:26.25.24,THB:27:19:22:26.25.24,27:25:22:28.20.19,20:21:24:28.19.27,20:19:22.21.26:24|
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:23:26:30.29.28,THB:31:23:26:30.29.28,31:29:26:32.24.23,24:25:28:32.23.31,24:23:26.25.30:28|
CC(=O)N1CCN(CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c3cccnc23)CC1 |TLB:18:19:22:26.25.24,THB:27:19:22:26.25.24,27:25:22:28.20.19,20:21:24:28.19.27,20:19:22.21.26:24|
O=C(NC1CCN(CC1)C(=O)CCC(=O)N1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:30:22:25:29.28.27,30:28:25:31.23.22,23:24:27:31.22.30,23:22:25.24.29:27|
CC(=O)N1CCN(CC1)C(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:28:32.31.30,THB:33:25:28:32.31.30,33:31:28:34.26.25,26:27:30:34.25.33,26:25:28.27.32:30|
CN1CCN(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
CC(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
CS(=O)(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCNCC1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
O=C(Nc1ccc(cc1)C(=O)N1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:22:19:25.24.26,23:24:21.22.27:19|
CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c3cccnc23)CC1 |TLB:22:23:26:30.29.28,THB:24:25:28:32.23.31,24:23:26.25.30:28,31:23:26:30.29.28,31:29:26:32.24.23|
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:28:29:32:36.35.34,THB:30:31:34:38.29.37,30:29:32.31.36:34,37:29:32:36.35.34,37:35:32:38.30.29|
CC(C)(C)OC(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 |TLB:24:25:28:32.31.30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25|
CS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(=O)OCc1ccccc1
N[C@H](CS)Cc1ccc(OCc2ccccc2)cc1
CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
CC(C)(C)N1CCOC(COc2ccc(NC(=O)NC3CCCCC3)cc2)C1
Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2F)cc1
FC(F)(F)c1ccc(CCNC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1
Fc1ccc(CCNC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1
Clc1ccc(CCNC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1
c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F
Fc1ccc(CCNC(=O)CCc2ccc(OCc3ccncc3)cc2)cc1
Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4ccc(cc4s3)C(F)(F)F)cc2F)cc1
Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4cc(ccc4s3)C(F)(F)F)cc2F)cc1
Fc1ccccc1CCNC(=O)Cc1ccc(Oc2nc3ccccc3s2)cc1F
COC(=O)c1ccc(CNC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2F)cc1
Fc1ccc2c(CNC(=O)Cc3ccc(Oc4nc5ccccc5s4)cc3F)c[nH]c2c1
FC(F)(F)Oc1ccc(CCNC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1
Cc1ccc(CCNC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1
Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4ccc(F)cc4s3)cc2F)cc1
Fc1cccc(CCNC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2F)c1
Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2)cc1
Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4cc(F)ccc4s3)cc2F)cc1
COc1ccc(cc1)C(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1cc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(CO)O[C@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@H](O)[C@H]2O)cc(OC)c1OC |r|
COc1cc(\C=C\C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O |r|
COc1cc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](COC(=O)c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC |r|
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F
Clc1ccccc1NC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1
Cc1cc(NC(=O)Nc2ccccc2)ccc1OCc1nc2ccccc2s1
Clc1cccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1
Clc1cc(Cl)cc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1
Clc1ccc(NC(=O)Nc2ccc(SCc3nc4ccccc4s3)cc2)cc1Cl
Clc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4s3)cc2)cc1Cl
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1Cl
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cccc(Cl)c1
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1
Cc1cc(NC(=O)Nc2ccccc2Cl)ccc1OCc1nc2ccccc2s1
Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCc1nc2ccccc2s1
Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1nc2ccccc2s1
Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1Cl
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)cc1
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1nc2ccccc2s1
O=C(Nc1ccccc1)Nc1ccc(OCc2nc3ccccc3s2)cc1
Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1
Clc1ccc(NC(=O)Nc2ccc(\C=C\c3nc4ccccc4s3)cc2)cc1Cl
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1
Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1nc2ccccc2s1
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC2C3CC4C5CC6CC4C2C(C6)C5C3)cc1 |r,wU:8.7,wD:11.14,TLB:25:26:22:20.19.31,25:26:30:23.24.29,25:24:30:21.26.27,29:28:22:20.19.31,29:28:22.21.26:19.31.18,29:28:22.21.20:31,26:21:31:28.27.18,26:27:22.21.20:31,31:30:23:21.26.25,23:22:28.26.27:20.19.31,23:22:31:28.27.18,THB:27:28:23:21.26.25,27:26:23:30.28.29,20:21:30:23.24.29,20:21:30.28.27:23.25.24,20:21:23:30.28.29,18:27:22:20.19.31,18:19:22:28.26.27,18:27:30:23.24.29,17:18:22.21.20:31,(61.29,-13.3,;59.95,-12.53,;59.96,-10.99,;58.62,-13.3,;58.61,-14.84,;57.27,-15.61,;55.95,-14.83,;54.61,-15.59,;53.28,-14.82,;51.94,-15.58,;50.61,-14.81,;50.63,-13.28,;51.95,-12.5,;53.28,-13.27,;49.29,-12.51,;47.96,-13.28,;47.96,-14.82,;46.62,-12.51,;45.29,-13.28,;43.89,-12.7,;42.85,-13.93,;42.85,-15.52,;41.36,-15.94,;41.35,-17.48,;42.68,-18.25,;44.26,-17.62,;44.27,-16.08,;45.27,-14.81,;43.88,-15.15,;43.88,-16.83,;42.56,-14.66,;42.55,-13.18,;55.95,-13.29,;57.28,-12.53,)|
Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1F |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F
Fc1ccc(NC(=O)NC23CC4CC2CC4C3)c(F)c1F |THB:14:13:10:15.16|
Fc1ccc(NC(=O)NC2C3CC4C5CC6CC4C2C(C6)C5C3)c(F)c1F |TLB:17:12:22:19.18.9,17:18:13.12.11:22,14:13:19.17.18:11.10.22,14:13:22:19.18.9,16:17:13:11.10.22,16:17:21:14.15.20,16:15:21:12.17.18,22:21:14:12.17.16,20:19:13:11.10.22,20:19:13.12.17:10.22.9,20:19:13.12.11:22,THB:18:19:14:12.17.16,18:17:14:21.19.20,11:12:21:14.15.20,11:12:21.19.18:14.16.15,11:12:14:21.19.20,9:18:13:11.10.22,9:10:13:19.17.18,9:18:21:14.15.20,8:9:13.12.11:22,(36.97,-28.49,;35.63,-27.72,;34.3,-28.49,;32.97,-27.72,;32.97,-26.18,;31.64,-25.41,;30.3,-26.18,;30.3,-27.72,;28.97,-25.41,;27.63,-26.18,;26.23,-25.6,;25.19,-26.84,;25.2,-28.42,;23.7,-28.84,;23.69,-30.38,;25.02,-31.15,;26.6,-30.52,;26.61,-28.99,;27.62,-27.71,;26.22,-28.05,;26.23,-29.73,;24.9,-27.56,;24.89,-26.08,;34.3,-25.41,;34.29,-23.87,;35.63,-26.17,;36.96,-25.4,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC2CC(C3)C4)cc1 |r,wU:8.7,wD:11.14,TLB:23:22:26.24.25:19,THB:23:24:19:21.22,(59.78,-7.36,;59.78,-5.82,;61.11,-5.05,;58.44,-5.05,;57.1,-5.82,;55.77,-5.04,;55.78,-3.5,;54.45,-2.73,;53.11,-3.49,;53.11,-5.03,;51.78,-5.79,;50.46,-5.03,;50.46,-3.49,;51.78,-2.71,;49.12,-5.8,;47.79,-5.04,;47.79,-3.5,;46.46,-5.81,;45.12,-5.04,;44.11,-6.32,;42.7,-5.76,;42.7,-4.17,;43.74,-2.94,;42.4,-3.41,;42.4,-4.9,;43.72,-5.39,;41.21,-6.17,;57.11,-2.73,;58.44,-3.5,)|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
CC(=O)N1CCC(CC1)NC(=O)NC1C2CC3C4CC5CC3C1C(C5)C4C2 |TLB:20:21:17:15.14.26,20:21:25:18.19.24,20:19:25:16.21.22,24:23:17:15.14.26,24:23:17.16.21:14.26.13,24:23:17.16.15:26,21:16:26:23.22.13,21:22:17.16.15:26,26:25:18:16.21.20,18:17:23.21.22:15.14.26,18:17:26:23.22.13,THB:22:23:18:16.21.20,22:21:18:25.23.24,15:16:25:18.19.24,15:16:25.23.22:18.20.19,15:16:18:25.23.24,13:22:17:15.14.26,13:14:17:23.21.22,13:22:25:18.19.24,12:13:17.16.15:26,(78.42,-17.75,;77.08,-18.52,;77.08,-20.06,;75.75,-17.74,;74.41,-18.5,;73.08,-17.73,;73.1,-16.2,;74.42,-15.42,;75.75,-16.2,;71.76,-15.43,;70.43,-16.2,;70.43,-17.74,;69.09,-15.43,;67.76,-16.2,;66.36,-15.62,;65.32,-16.86,;65.32,-18.44,;63.83,-18.86,;63.81,-20.4,;65.14,-21.17,;66.72,-20.54,;66.73,-19.01,;67.74,-17.73,;66.34,-18.08,;66.35,-19.76,;65.02,-17.59,;65.02,-16.1,)|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3C4CC5CC3C(C1)C(C5)C4C2 |TLB:20:15:26:23.21.22,20:21:16.15.14:26,26:25:17:15.20.19,17:16:23.20.21:14.13.26,17:16:26:23.21.22,19:20:16:14.13.26,19:20:25:17.18.24,19:18:25:15.20.21,24:23:16:14.13.26,24:23:16.15.20:13.26.22,24:23:16.15.14:26,THB:21:23:17:15.20.19,21:20:17:25.23.24,14:15:25:17.18.24,14:15:25.23.21:17.19.18,14:15:17:25.23.24,22:21:16:14.13.26,22:13:16:23.20.21,22:21:25:17.18.24,(78.54,-26.74,;77.21,-27.5,;77.2,-29.04,;75.87,-26.73,;74.54,-27.49,;73.21,-26.72,;73.22,-25.19,;74.54,-24.41,;75.88,-25.19,;71.89,-24.42,;70.55,-25.19,;70.55,-26.73,;69.22,-24.42,;67.88,-25.19,;66.27,-25.12,;65.02,-26.09,;63.77,-25.17,;62.55,-26.1,;62.75,-27.62,;64.21,-28.49,;65.43,-27.56,;67.06,-27.57,;68.28,-26.65,;65.93,-26.68,;64.61,-27.71,;65.51,-25.33,;66.69,-24.42,)|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3(C)CC1CC3(C)C2 |THB:19:18:14:20.22|
CC12CC3CC1(C)CC3(C2)NC(=O)Nc1ccc(F)c(F)c1F |TLB:4:3:9:5.7|
Fc1ccc(NC(=O)NC23CC4CC2CC(C3)C4)c(F)c1F |TLB:12:11:16:14.13,12:13:10.11.17:16|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC1CC(C2)C3 |TLB:18:17:21.19.20:14,THB:18:19:14:16.17|
CC12CC3CC1(C)CC3(CNC(=O)Nc1ccc(F)c(F)c1F)C2 |TLB:7:5:23.8:2,THB:7:8:4.5:2,6:5:23.8:2|
OC(=O)CCCc1nc(c(o1)-c1ccccc1)-c1ccc(Cl)c(Cl)c1
O=c1n([se]c2ccccc12)-c1ccccc1
OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O
CCCCCCCCCCCCOS([O-])(=O)=O
CN(CCn1cccn1)C(=O)c1ccc(nc1)-c1cccc(c1)C(=O)NC1CCCCC1
c1ccc2c(c1)[nH]c(n2)SCCO
FC(F)(F)c1cccc(c1)-c1n[nH]cc1-c1ccncc1
CCCC1=CC(=CNC1=O)C2CCCCC2
FC1(F)CCN(CC1)C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
CCSc1cccc(c1)-c1ccc(s1)C(N)=O
Nc1nnc(s1)-c1cccs1
C1CCC(CC1)NC(=O)NC2CCCCC2
CSc1ccc(OC2(C)CCN(CC3CC3)C2)cc1
FC(F)(F)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)S(=O)(=O)NC1CCCC1
c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2
Cc1c(n[nH]c1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N
Cn1cccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1
Cc1ccc2c(c1)SCC(=O)N2
Oc1ccc(Cl)cc1-c1ccno1
Cn1cc(cn1)-c1ccc2NC(=O)C(C)(Cc3ccccc3)c2c1
Cn1nnc(n1)-c1cc(cnc1N)-c1ccsc1
O=C(NCCC(c1ccccc1)c1ccccc1)N1CCCC1
CCCCc1nc2n[nH]c(N)c2c2CC(C)(C)SCc12
c1cc2c(cc1C3CCCCC3)CC(=O)N2
Nc1nonc1-c1ccccc1
Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3
CC1CC(CN)CC(CO)C1
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)N2C(=O)N(C3CCCCCC3)C(=O)C2=O)cc1 |r,wU:8.7,wD:11.14,(21.08,-5.39,;19.75,-4.63,;19.74,-3.09,;18.42,-5.4,;17.08,-4.64,;15.75,-5.41,;15.75,-6.95,;14.42,-7.72,;13.09,-6.95,;11.76,-7.72,;10.43,-6.94,;10.43,-5.4,;11.77,-4.63,;13.1,-5.4,;9.1,-4.62,;7.7,-5.24,;7.37,-6.74,;6.67,-4.09,;5.14,-4.24,;4.61,-5.68,;3.15,-6.18,;1.86,-5.35,;1.71,-3.82,;2.8,-2.74,;4.33,-2.93,;7.45,-2.76,;6.83,-1.35,;8.95,-3.09,;10.1,-2.07,;17.09,-7.72,;18.42,-6.95,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC2CCCCCC2)cc1 |r,wU:8.7,wD:11.14,(43.15,-3.99,;41.8,-3.22,;41.8,-1.68,;40.46,-4,;39.13,-3.23,;37.8,-4,;37.8,-5.54,;36.46,-6.33,;35.11,-5.57,;33.79,-6.36,;32.43,-5.6,;32.41,-4.07,;33.77,-3.26,;35.1,-4.03,;31.03,-3.34,;29.73,-4.17,;29.8,-5.71,;28.36,-3.45,;27.06,-4.29,;27.37,-5.8,;26.38,-6.96,;24.86,-6.92,;23.91,-5.72,;24.29,-4.22,;25.69,-3.58,;39.13,-6.31,;40.47,-5.54,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)N2C(=O)N(C(=O)C2=O)c2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(69.66,-6.55,;68.33,-5.78,;68.32,-4.24,;67,-6.56,;65.66,-5.79,;64.33,-6.56,;64.33,-8.11,;63,-8.88,;61.66,-8.11,;60.34,-8.87,;59,-8.09,;59.01,-6.55,;60.35,-5.79,;61.67,-6.56,;57.68,-5.77,;56.27,-6.39,;55.95,-7.9,;55.25,-5.24,;56.02,-3.91,;55.4,-2.5,;57.53,-4.24,;58.68,-3.22,;53.71,-5.4,;52.82,-4.14,;51.29,-4.29,;50.65,-5.7,;49.12,-5.85,;48.22,-4.6,;48.85,-3.2,;46.69,-4.75,;47.43,-3.26,;51.56,-6.96,;53.09,-6.8,;65.66,-8.88,;67,-8.11,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)N2C(=O)N(C(=O)C2=O)C23CC4CC(CC(Cl)(C4)C2)C3)cc1 |r,wU:8.7,wD:11.14,TLB:32:22:30:27.25.26,25:26:30.24.23:31,THB:32:26:30:23.22.31,17:22:30:27.25.26,25:24:31:27.26.32,(46.15,-13.46,;44.82,-12.69,;44.81,-11.15,;43.49,-13.47,;42.15,-12.71,;40.82,-13.48,;40.82,-15.02,;39.49,-15.79,;38.15,-15.02,;36.83,-15.78,;35.49,-15,;35.5,-13.46,;36.84,-12.7,;38.16,-13.47,;34.17,-12.69,;32.76,-13.3,;32.44,-14.81,;31.74,-12.16,;32.51,-10.83,;31.89,-9.42,;34.02,-11.15,;35.17,-10.13,;30.2,-12.19,;29.04,-11.06,;27.46,-10.95,;26.79,-12.31,;27.99,-13.42,;27.75,-12,;28.34,-10.71,;28.73,-9.22,;27.15,-9.42,;29.82,-10.81,;29.52,-13.54,;42.16,-15.79,;43.49,-15.02,)|
Fc1ccccc1N1C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C1=O |TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(12.29,-19.64,;13.01,-21.01,;14.55,-21.06,;15.27,-22.43,;14.44,-23.73,;12.91,-23.67,;12.19,-22.3,;10.66,-22.24,;9.7,-23.45,;10.12,-24.93,;8.26,-22.92,;6.98,-23.77,;6.97,-25.3,;5.58,-25.64,;4.25,-25.16,;3.05,-26.44,;4.55,-26.02,;5.96,-26.58,;4.55,-24.43,;5.59,-23.2,;4.24,-23.67,;8.32,-21.37,;7.11,-20.42,;9.81,-20.96,;10.34,-19.51,)|
Fc1ccccc1NC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(27.35,-19.37,;27.82,-20.84,;29.32,-21.17,;29.78,-22.65,;28.74,-23.78,;27.23,-23.45,;26.78,-21.97,;25.28,-21.63,;24.12,-22.65,;24.54,-24.13,;22.68,-22.12,;21.4,-22.97,;21.39,-24.5,;19.99,-24.85,;18.66,-24.37,;17.46,-25.64,;18.97,-25.22,;20.37,-25.78,;18.96,-23.63,;20,-22.4,;18.65,-22.87,)|
Fc1ccccc1N1C(=O)N(CC23CC4CC(CC(C4)C2)C3)C(=O)C1=O |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Fc1ccccc1NC(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:11:12:15:19.18.17,THB:20:12:15:19.18.17,20:18:15:21.13.12,13:14:17:21.12.20,13:12:15.14.19:17|
CC(N1C(=O)N(C(=O)C1=O)c1ccccc1F)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CC(NC(=O)Nc1ccccc1F)C12CC3CC(CC(C3)C1)C2 |TLB:1:13:16:20.19.18,THB:21:13:16:20.19.18,21:19:16:22.14.13,14:15:18:22.13.21,14:13:16.15.20:18|
CC12CC3CC(C)(C1)CC(C3)(C2)N1C(=O)N(C(=O)C1=O)c1ccccc1F |TLB:4:5:11:2.3.10,4:3:7.5.8:11,10:9:7:2.4.3,6:5:11:2.3.10,THB:10:3:7:8.9.11,12:9:7:2.4.3|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)Nc1ccccc1F |TLB:4:5:11:2.3.10,4:3:7.5.8:11,10:9:7:2.4.3,THB:12:9:7:2.4.3,10:3:7:8.9.11|
Fc1ccccc1N1C(=O)N(C(=O)C1=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:18:21:24:28.26.27,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27|
Fc1ccccc1NC(=O)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:14:17:20:24.22.23,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|
CC12CC3CC(C)(C1)CC(C3)(C2)N1C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C1=O |TLB:10:9:7:2.3.4,22:21:25:18.17.16,22:17:20.21.23:25,THB:11:1:4:8.9.10,11:9:7.1.2:4,16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,10:3:7:8.11.9,12:9:7:2.3.4,0:1:4:8.9.10,(48.02,-39.14,;48.8,-40.48,;49.57,-41.87,;49.23,-43.45,;50.19,-42.4,;49.47,-41.09,;51.01,-41.08,;49.92,-39.4,;48.08,-41.29,;47.01,-42.27,;47.73,-43.62,;47.3,-40.66,;45.46,-42.25,;44.51,-43.46,;44.92,-44.94,;43.06,-42.93,;41.78,-43.78,;41.77,-45.31,;40.37,-45.66,;39.05,-45.18,;37.85,-46.45,;39.35,-46.03,;40.76,-46.59,;39.35,-44.44,;40.38,-43.21,;39.04,-43.68,;43.12,-41.39,;41.91,-40.43,;44.61,-40.97,;45.14,-39.52,)|
CCC(CC12CC3CC(CC(C3)C1)C2)N1C(=O)N(C(=O)C1=O)C12CC3CC(C)(CC(C)(C3)C1)C2 |TLB:17:22:28:25.24.31,33:22:28.26.25:31,3:4:7:11.9.10,THB:23:22:28:25.24.31,23:24:28:32.33.22,9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10,27:26:31:32.22.23,33:26:31:32.22.23|
O=C1N(C(=O)C(=O)N1C12CC3CC(C1)C(=O)C(C3)C2)C12CC3CC(C1)C(=O)C(C3)C2 |TLB:7:8:11:17.16.14,2:19:22.21.28:25,15:14:11:13.9.8,26:25:22:24.19.20,THB:20:19:22.21.28:25,20:21:25:24.19.29,18:8:11:17.16.14,18:16:11:13.9.8,29:19:22:28.27.25,29:27:22:24.19.20,9:10:14:13.8.18,9:8:11.10.17:14|
O=C(NC12CC3CC(C1)C(=O)C(C3)C2)NC12CC3CC(C1)C(=O)C(C3)C2 |TLB:2:3:6:12.11.9,10:9:6:8.4.3,22:21:18:20.15.16,THB:16:15:18.17.24:21,16:17:21:20.15.25,13:3:6:12.11.9,13:11:6:8.4.3,25:15:18:24.23.21,25:23:18:20.15.16,4:5:9:8.3.13,4:3:6.5.12:9|
O=C1N(CCCCCCN2C(=O)N(C(=O)C2=O)C23CC4CC(CC(C4)C2)C3)C(=O)C(=O)N1C12CC3CC(CC(C3)C1)C2 |TLB:31:32:35:39.38.37,12:17:20:24.23.22,THB:33:34:37:41.32.40,33:32:35.34.39:37,18:19:22:26.17.25,18:17:20.19.24:22,40:32:35:39.38.37,40:38:35:41.33.32,25:17:20:24.23.22,25:23:20:26.18.17|
O=C1N(CCCCCCCCN2C(=O)N(C(=O)C2=O)C23CC4CC(CC(C4)C2)C3)C(=O)C(=O)N1C12CC3CC(CC(C3)C1)C2 |TLB:14:19:22:26.25.24,33:34:37:41.40.39,THB:35:36:39:43.34.42,35:34:37.36.41:39,42:34:37:41.40.39,42:40:37:43.35.34,20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
CCC(CC12CC3CC(CC(C3)C1)C2)N1C(=O)N(CCCCN2C(=O)N(C(CC)CC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C(=O)C1=O |TLB:29:30:33:37.36.35,3:4:7:11.10.9,THB:38:36:33:39.30.31,38:30:33:37.36.35,9:10:7.8.13:5,9:8:5:11.10.12,12:10:7:13.4.5,12:4:7:11.10.9,35:36:33.34.39:31,35:34:31:37.36.38|
CCC(CC12CC3CC(CC(C3)C1)C2)N1C(=O)N(CCCCCCCCN2C(=O)N(C(CC)CC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C(=O)C1=O |TLB:33:34:37:41.40.39,3:4:7:11.10.9,THB:42:40:37:43.34.35,42:34:37:41.40.39,9:10:7.8.13:5,9:8:5:11.10.12,12:10:7:13.4.5,12:4:7:11.10.9,39:40:37.38.43:35,39:38:35:41.40.42|
O=C1N(CCCCN2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |TLB:33:34:37:41.40.39,12:13:16:20.19.18,THB:39:40:37.38.43:35,39:38:35:41.40.42,42:40:37:43.34.35,42:34:37:41.40.39,18:19:16.17.22:14,18:17:14:20.19.21,21:19:16:22.13.14,21:13:16:20.19.18|
O=C1N(CCCCCCN2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |TLB:14:15:18:22.21.20,35:36:39:43.42.41,THB:41:42:39.40.45:37,41:40:37:43.42.44,44:42:39:45.36.37,44:36:39:43.42.41,20:21:18.19.24:16,20:19:16:22.21.23,23:21:18:24.15.16,23:15:18:22.21.20|
O=C1N(CCCCCCCCN2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,37:38:41:45.44.43,THB:43:44:41.42.47:39,43:42:39:45.44.46,46:44:41:47.38.39,46:38:41:45.44.43,22:23:20.21.26:18,22:21:18:24.23.25,25:23:20:26.17.18,25:17:20:24.23.22|
O=C1N(CCN(CCN2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)CCN2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C(=O)C(=O)N1CC12CC3CC(CC(C3)C1)C2 |TLB:53:54:57:61.60.59,12:13:16:20.19.18,33:34:37:41.40.39,THB:62:54:57:61.60.59,62:60:57:63.55.54,14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,35:36:39:43.34.42,35:34:37.36.41:39,55:56:59:63.54.62,55:54:57.56.61:59,42:34:37:41.40.39,42:40:37:43.35.34|
O=C(NCCN(CCNC(=O)NCC12CC3CC(CC(C3)C1)C2)CCNC(=O)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,29:30:33:37.36.35,41:42:45:49.48.47,THB:14:15:18:22.13.21,14:13:16.15.20:18,31:32:35:39.30.38,31:30:33.32.37:35,43:44:47:51.42.50,43:42:45.44.49:47,21:13:16:20.19.18,21:19:16:22.14.13,38:30:33:37.36.35,38:36:33:39.31.30,50:42:45:49.48.47,50:48:45:51.43.42|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(Cl)(C4)C2)C3)cc1 |r,wU:8.7,wD:11.14,TLB:21:22:26.20.19:27,28:18:26:23.21.22,THB:17:18:26:23.21.22,21:20:27:23.22.28,28:22:26:19.18.27,(68.54,-12.24,;67.2,-11.47,;67.19,-9.93,;65.85,-12.25,;64.52,-11.49,;63.2,-12.26,;63.19,-13.8,;61.86,-14.59,;60.5,-13.83,;59.18,-14.61,;57.83,-13.86,;57.8,-12.32,;59.16,-11.51,;60.49,-12.28,;56.43,-11.59,;55.12,-12.42,;55.19,-13.97,;53.75,-11.71,;52.39,-12.42,;50.86,-11.93,;49.4,-12.53,;49.41,-14.04,;50.97,-14.5,;50.12,-13.34,;50.07,-11.93,;49.76,-10.42,;48.44,-11.3,;51.44,-11.36,;52.38,-13.93,;64.53,-14.57,;65.86,-13.8,)|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:10:9:7:2.3.4,22:21:25:18.17.16,22:17:20.21.23:25,THB:11:1:4:8.9.10,11:9:7.1.2:4,16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,0:1:4:8.9.10,10:3:7:8.11.9,12:9:7:2.3.4,(64.15,-39.91,;64.73,-41.36,;65.29,-42.87,;64.72,-44.39,;65.83,-43.48,;65.31,-42.07,;66.85,-42.29,;66,-40.45,;63.9,-42.07,;62.69,-42.88,;63.2,-44.33,;63.21,-41.32,;61.14,-42.64,;60.01,-43.7,;60.43,-45.19,;58.56,-43.16,;57.27,-44.02,;57.26,-45.56,;55.85,-45.91,;54.52,-45.43,;53.31,-46.71,;54.82,-46.29,;56.24,-46.85,;54.82,-44.69,;55.87,-43.45,;54.51,-43.92,)|
CCC(CC12CC3CC(CC(C3)C1)C2)NC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2 |TLB:17:18:24:21.20.27,3:4:7:11.9.10,29:18:24.22.21:27,THB:19:18:24:21.20.27,19:20:24:28.29.18,9:8:5:11.10.12,9:10:7.8.13:5,23:22:27:28.18.19,12:10:7:13.4.5,12:4:7:11.9.10,29:22:27:28.18.19|
O=C(NCCCCNC(=O)NCCC12CC3CC(CC(C3)C1)C2)NCCC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,25:26:29:33.32.31,THB:18:19:16.17.22:14,18:17:14:20.19.21,31:32:29.30.35:27,31:30:27:33.32.34,21:19:16:22.13.14,21:13:16:20.19.18,34:32:29:35.26.27,34:26:29:33.32.31|
O=C(NCCCCCCNC(=O)NCCC12CC3CC(CC(C3)C1)C2)NCCC12CC3CC(CC(C3)C1)C2 |TLB:27:28:31:35.34.33,14:15:18:22.21.20,THB:33:34:31.32.37:29,33:32:29:35.34.36,20:21:18.19.24:16,20:19:16:22.21.23,36:34:31:37.28.29,36:28:31:35.34.33,23:21:18:24.15.16,23:15:18:22.21.20|
O=C(NCCCCCCCCNC(=O)NCCC12CC3CC(CC(C3)C1)C2)NCCC12CC3CC(CC(C3)C1)C2 |TLB:29:30:33:37.36.35,16:17:20:24.23.22,THB:35:36:33.34.39:31,35:34:31:37.36.38,22:23:20.21.26:18,22:21:18:24.23.25,38:36:33:39.30.31,38:30:33:37.36.35,25:23:20:26.17.18,25:17:20:24.23.22|
CNc1nc(NC[C@H](C)c2ccccc2)nc(N[C@H]2CC[C@H](CC2)C(=O)NCc2ccc(cc2)C(O)=O)n1 |r,wU:18.18,21.25,wD:7.7,(4.11,-4.86,;5.44,-4.09,;6.78,-4.86,;6.77,-6.4,;8.11,-7.17,;8.11,-8.71,;6.77,-9.48,;6.77,-11.03,;8.11,-11.8,;5.44,-11.8,;4.11,-11.02,;2.78,-11.79,;2.78,-13.33,;4.12,-14.1,;5.45,-13.33,;9.45,-6.4,;9.44,-4.85,;10.78,-4.08,;12.12,-4.84,;13.44,-4.06,;14.78,-4.83,;14.78,-6.37,;13.44,-7.14,;12.12,-6.38,;16.11,-7.14,;16.11,-8.68,;17.45,-6.37,;18.78,-7.14,;20.11,-6.37,;21.44,-7.14,;22.78,-6.37,;22.78,-4.83,;21.43,-4.06,;20.11,-4.83,;24.11,-4.06,;25.45,-4.82,;24.11,-2.52,;8.11,-4.09,)|
CNc1nc(NC2CCCC(C2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1
c1ccc(cc1)COc2ccc(cc2)CCCO
O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCCN(CCc2ccccc2)C1
O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCN(Cc2cccs2)CC1
O=C(CCc1ccc(OCc2ccccc2)cc1)NCCC1CCN(Cc2ccccc2)C1
Brc1cccc(c1)N1CCC(CNC(=O)CCc2ccc(OCc3ccccc3)cc2)C1
O=C(CCc1ccc(OCc2ccccc2)cc1)Nc1ccc(CCN2CCOCC2)cc1
O=C(CCc1ccc(OCc2ccccc2)cc1)Nc1ccc(OCCN2CCCCCC2)cc1
CCOP(=O)(OCC)c1ccc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)cc1
FC(F)(F)c1coc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)n1
[H][C@]12CC[C@](C)(C(C1)NC(=O)Nc1ccccc1F)C2(C)C |r|
Fc1ccccc1NC(=O)NCc1ccco1
[H][C@@]12CC[C@@](C)(C(C1)NC(=O)Nc1ccccc1F)C2(C)C |r|
CC1(C)C2CCC1(C)C(C2)NC(=O)Nc1ccccc1F
Fc1ccccc1NC(=O)NC1CC2CCC1C2
CC1(C)C2(C)CCC1(NC(=O)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(O)=O)OC2=O |r,wU:15.19,wD:12.12,(35.6,-1.52,;35.63,-3.07,;37.11,-2.19,;33.92,-2.99,;32.59,-2.22,;35.27,-2.23,;36.59,-3,;36.58,-4.54,;37.91,-5.31,;39.24,-4.54,;39.24,-3,;40.57,-5.31,;41.91,-4.54,;43.24,-5.31,;44.58,-4.54,;44.58,-3,;43.24,-2.23,;41.9,-3,;45.91,-2.23,;47.25,-3,;47.24,-4.55,;48.58,-5.32,;49.91,-4.54,;49.91,-2.99,;48.57,-2.23,;51.24,-5.31,;52.57,-4.54,;51.25,-6.85,;35.26,-5.31,;33.91,-4.53,;32.58,-5.3,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC2CC3CC2C=C3)cc1 |r,wU:8.7,wD:11.14,c:25,(22.5,-4.71,;21.17,-5.48,;21.17,-7.02,;19.83,-4.72,;18.49,-5.49,;17.16,-4.72,;17.16,-3.17,;15.83,-2.4,;14.49,-3.17,;14.5,-4.71,;13.16,-5.48,;11.83,-4.71,;11.83,-3.17,;13.16,-2.4,;10.49,-5.48,;9.16,-4.72,;9.16,-3.18,;7.83,-5.49,;6.49,-4.72,;6.5,-3.17,;5.17,-2.4,;4.65,-3.99,;5.16,-5.48,;3.83,-4.7,;3.83,-3.16,;18.49,-2.4,;19.83,-3.17,)|
CCOC(=O)CNC(=O)NC1CC2CCC1C2
FC(F)(F)Oc1ccc(NC(=O)NC2CC3CCC2C3)cc1
CC1(C)C2CCC1(C)C(C2)NC(=O)Nc1ccc(OC(F)(F)F)cc1
CCOC(=O)CNC(=O)NC1CC2CCC1(C)C2(C)C
CCCCCCCCNC(=O)NC1CC2CCC1(C)C2(C)C
O=C(NCC12CC3CC(CC(C3)C1)C2)NC1CC2CC1C=C2 |c:24,TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
O=C(NC1CC2CC1C=C2)NC1C2CC3CC(C2)CC1C3 |c:9,TLB:10:11:13:17.15.16,THB:18:16:13:20.19.11,18:19:13:17.15.16,15:14:11:17.16.18,15:16:13.14.20:11,(12.51,-54.37,;12.51,-52.8,;11.16,-52.02,;9.8,-52.8,;9.8,-54.33,;8.47,-55.09,;9.3,-53.54,;8.48,-52.02,;7.14,-52.77,;7.13,-54.3,;13.87,-52.02,;15.23,-52.81,;15.25,-54.32,;14.04,-55.61,;15.56,-55.18,;16.99,-55.73,;18.01,-54.43,;16.6,-54.79,;18.01,-52.88,;16.59,-52.32,;15.54,-53.57,)|
O=C(NCc1ccco1)NCC12CC3CC(CC(C3)C1)C2 |TLB:14:15:13.12.18:19,THB:14:13:15.20.16:19,16:15:12:18.17.19,16:17:14.15.20:12|
O=C(NCCCCNC(=O)NC1CC2CC1C=C2)NC1CC2CC1C=C2 |c:17,27|
O=C(NCCCCCCCCCCNC(=O)NC1CC2CC1C=C2)NC1CC2CC1C=C2 |c:23,33|
O=C(NCCCCNC(=O)NC1CC2CCC1C2)NC1CC2CCC1C2
O=C(NCCCCCCCCNC(=O)NC1CC2CCC1C2)NC1CC2CCC1C2
CC1(C)C2CCC1(C)C(C2)NC(=O)NCCCCNC(=O)NC1CC2CCC1(C)C2(C)C
CC1(C)C2CCC1(C)C(C2)NC(=O)NCCCCCCCCNC(=O)NC1CC2CCC1(C)C2(C)C
O=C(NCCCCNC(=O)NCc1ccco1)NCc1ccco1
O=C(NCCCCCCNC(=O)NCc1ccco1)NCc1ccco1
O=C(NCCCCCCCCNC(=O)NCc1ccco1)NCc1ccco1
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCc1ccccc1
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCc1ccccc1
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1ccc(OC)c(OC)c1
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCc1ccc(OC)c(OC)c1
CCCCCCCCCCCCCCCC(=O)NCc1ccc(OC)c(OC)c1
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1cccc(OC)c1
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1cccc(OC)c1
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
CCCCCCCC\C=C/CCCCCCCC(=O)NCc1cccc(OC)c1
CCCCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1
CCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccccc1
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccccc1
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1ccccc1
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCc1ccccc1
CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccccc1
CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1
CCCCCCCCCCCCCCCC(=O)NCc1ccccc1
Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cn1)C(F)(F)F |r|
Fc1cc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)ccc1C(F)(F)F |r|
Nc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2s1
Nc1nc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2s1 |TLB:14:15:13.18.12:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.16.20:19|
Nc1nc2ccc(NC(=O)NC3CCCCC3)cc2s1
Clc1ccc(NC(=O)Nc2nc3ccc(cc3s2)N(CCN2CCOCC2)C(=O)Nc2ccc(Cl)cc2)cc1
Nc1nc2ccc(cc2s1)N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1
CCN(CC)CCN(C(=O)Nc1ccc(Cl)cc1)c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)N(CCN1CCCCC1)C(=O)Nc1ccc(Cl)cc1
CC1CCN(CCN(C(=O)Nc2ccc(Cl)cc2)c2ccc3nc(N)sc3c2)CC1
Cc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1
CCc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1
Nc1nc2ccc(cc2s1)N(CCN1CCOCC1)C(=O)Nc1ccc(Br)cc1
CC(C)c1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1
CC(C)Oc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)cc1
Cc1cccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(N)sc3c2)c1
Nc1nc2ccc(cc2s1)N(CCN1CCOCC1)C(=O)Nc1ccc(F)c(Br)c1
Nc1nc2ccc(cc2s1)N(CCN1CCOCC1)C(=O)Nc1cccc2ccccc12
Clc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(NC(=O)Cc4ccccc4)sc3c2)cc1
Fc1ccccc1CC(=O)Nc1nc2ccc(cc2s1)N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1
CCc1ccc(NC(=O)N(CCN2CCOCC2)c2ccc3nc(NC(=O)Cc4ccccc4F)sc3c2)cc1
CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |r|
COc1cc(O)c2c(c1)oc(-c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2=O |r|
[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2OC)-c2oc3cc(OC)cc(O)c3c(=O)c2OC)OC[C@](O)(CO)[C@H]1O |r|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC(=O)c1cc(O)c(O)c(O)c1)c2=O
Oc1cc(cc(O)c1O)[C@@H]1CCc2c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)cc2O1 |r|
Fc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1
O=C(NC1CCC2CCCC2C1)C1CCCN(C1)S(=O)(=O)c1cccs1
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)O2)C3)cc1 |r,wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(20.44,-38.18,;19.62,-36.87,;20.33,-35.51,;18.08,-36.93,;17.36,-38.29,;15.82,-38.34,;15,-37.03,;13.46,-37.09,;12.74,-38.45,;13.56,-39.76,;12.84,-41.11,;11.3,-41.16,;10.47,-39.87,;11.2,-38.51,;10.58,-42.52,;9.04,-42.59,;8.23,-41.29,;8.33,-43.95,;6.79,-44.01,;5.77,-45.29,;4.37,-44.73,;2.87,-45.14,;4.07,-43.87,;4.06,-42.38,;5.41,-41.91,;4.36,-43.14,;6.8,-42.48,;5.39,-44.36,;15.71,-35.68,;17.25,-35.62,)|
Fc1ccc(NC(=O)NC23CC4CC(CC(C4)O2)C3)c(F)c1F |TLB:8:9:11.16.12:14,THB:17:9:12:16.15.14,17:15:18.10.9:12,10:11:17.18.9:14,10:9:11.16.12:14,8:9:12:16.15.14|
O=C(Nc1nc2ccccc2s1)NC12CC3CC(CC(C3)O1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
O=C(Nc1ccon1)NC12CC3CC(CC(C3)O1)C2 |TLB:8:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,8:9:12:16.15.14|
O=C(Nc1ncncn1)NC12CC3CC(CC(C3)O1)C2 |TLB:9:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10,9:10:13:17.16.15|
FC(F)(F)Oc1cc(Cl)cc(NC(=O)NC23CC4CC(CC(C4)O2)C3)c1 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
FC(F)(F)c1cc(NC(=O)NC23CC4CC(CC(C4)O2)C3)ccc1Cl |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16|
FS(F)(F)(F)(F)c1cccc(NC(=O)NC23CC4CC(CC(C4)O2)C3)c1 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)O1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
CNc1nc(C)nc(n1)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
O=C(NC1CCN(CC1)C(=O)C1CCOCC1)NC12CC3CC(CC(C3)O1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
O=C(NC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)O1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
Fc1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
O=C(NC1CCN(CC1)C(=O)C1CC1)NC12CC3CC(CC(C3)O1)C2 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
CC(=O)c1ccc(cc1)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
CC(C#Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cncc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1ccc(o1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cc(ccc1C)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
NC(=O)N(O)CC#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F
C[C@@H](C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O |r|
CCC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CCCC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C)C(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C)CC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCc1c[nH]c2ccccc12)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCc1ccc(F)cc1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCc1cccc(F)c1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCc1ccccc1OC(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCc1ccc(Cl)cc1Cl)N(O)C(N)=O
COc1ccc(CNC(=O)c2cccc(c2)C#CC(C)N(O)C(N)=O)c(c1)C(F)(F)F
CC(C#Cc1cccc(c1)C(=O)NCc1ccc(F)cc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccccc1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(F)cc1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(OC(F)(F)F)cc1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(Cl)cc1)N(O)C(N)=O
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(cc1)S(N)(=O)=O)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(Cl)c(Cl)c1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCN(c1ccccc1)c1ccccc1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@H](c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r|
Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1OC(F)(F)F
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(F)cc1C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC(c1ccccc1)c1ccccc1
CCC(Cc1ccc(cc1)C(=O)NCc1ccc(OC)cc1C(F)(F)F)C(O)=O
Fc1ccc(cc1)C(CCNC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1
CS(=O)(=O)c1ccc(cc1)C(CCNC(=O)c1ccc(nc1)C#N)c1ccc(F)cc1
CN(C(=O)NC1CCCCC1)c1ccccc1
CCCCCCNC(=O)NC
Clc1ccc(NC(=O)NC2CCCCC2)cc1
CCCCCCCCCCCCNC(=O)NC1CCCC1
Oc1ccc(NC(=O)NC2CCCCC2)cc1
CC(C)(C)CC(C)(C)NC(=O)NC1CCCCC1
CCCCCCCCCCCCNC(=O)NCC(C)(C)C(C)(C)C
Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
CC(C)(C)OC(=O)CNC(=O)NC1CCCCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NC2CCCCC2)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21|
NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1-c1ccccc1
CCOC(=O)C1CCN(CC1)C(=O)Nc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NCCCCCCCCCCC(O)=O)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NCCCC(O)=O)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NC1CCCCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:27:28:25.26.31:32,THB:27:26:32:33.28.29,29:28:25:31.30.32,29:30:25:33.27.28|
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)C(F)(F)F
CCOC(=O)C1CCN(CC1)C(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCCCCCCCCC(O)=O
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCC(O)=O
C[C@@H](CNc1nc(NCCc2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccc(cc2)C(O)=O)n1)c1ccccc1 |r,wU:1.0,(25.02,-12.86,;25.02,-11.32,;23.68,-10.55,;22.35,-11.32,;21.02,-10.55,;21.02,-9,;19.67,-8.24,;19.67,-6.7,;21,-5.92,;20.99,-4.38,;22.32,-3.61,;23.66,-4.38,;24.99,-3.61,;24.99,-2.07,;23.64,-1.3,;22.32,-2.08,;18.35,-9.01,;18.35,-10.54,;17.02,-11.31,;15.69,-10.54,;14.35,-11.31,;13.02,-10.55,;13.02,-9.01,;14.35,-8.23,;15.68,-9,;11.68,-8.25,;11.68,-6.71,;10.35,-9.02,;9.02,-8.26,;7.69,-9.03,;7.69,-10.58,;6.35,-11.35,;5.02,-10.58,;5.02,-9.04,;6.35,-8.27,;3.69,-11.35,;2.35,-10.58,;3.68,-12.89,;19.68,-11.32,;26.35,-10.55,;27.68,-11.32,;29.01,-10.56,;29.02,-9.01,;27.67,-8.24,;26.34,-9.02,)|
OC(=O)c1ccc(CNC(=O)C2CCC(CC2)Nc2nc(NCCSCc3ccccc3)nc(NCCc3ccccc3)n2)cc1 |(35.66,-10.93,;36.99,-11.7,;36.99,-13.24,;38.32,-10.93,;39.66,-11.7,;41,-10.93,;40.99,-9.38,;42.32,-8.61,;43.66,-9.37,;44.99,-8.6,;44.98,-7.06,;46.33,-9.36,;46.33,-10.9,;47.66,-11.66,;48.99,-10.89,;48.99,-9.35,;47.65,-8.58,;50.32,-11.66,;51.66,-10.89,;52.99,-11.67,;54.32,-10.9,;55.65,-11.67,;56.99,-10.9,;58.32,-11.67,;59.65,-10.9,;60.99,-11.67,;62.32,-10.9,;63.65,-11.67,;64.98,-10.91,;64.99,-9.36,;63.64,-8.59,;62.32,-9.37,;54.32,-9.36,;52.98,-8.59,;52.97,-7.05,;54.3,-6.27,;54.3,-4.73,;55.63,-3.96,;56.97,-4.73,;58.3,-3.96,;58.29,-2.41,;56.95,-1.65,;55.62,-2.43,;51.65,-9.36,;39.65,-8.62,;38.33,-9.39,)|
C[C@@H](CNc1nc(NCCc2cccs2)nc(NC2CCC(CC2)C(=O)NCc2ccc(cc2)C(O)=O)n1)c1ccccc1 |r,wU:1.0,(24.78,-28.42,;24.78,-26.88,;23.45,-26.11,;22.12,-26.88,;20.78,-26.11,;20.78,-24.57,;19.44,-23.8,;19.43,-22.26,;20.77,-21.48,;20.76,-19.94,;22.09,-19.17,;22.25,-17.63,;23.75,-17.31,;24.53,-18.64,;23.5,-19.78,;18.11,-24.57,;18.12,-26.11,;16.79,-26.88,;15.45,-26.11,;14.12,-26.88,;12.79,-26.11,;12.79,-24.57,;14.11,-23.79,;15.45,-24.57,;11.45,-23.81,;11.45,-22.27,;10.12,-24.58,;8.78,-23.82,;7.45,-24.59,;7.46,-26.14,;6.12,-26.92,;4.79,-26.15,;4.79,-24.6,;6.12,-23.83,;3.45,-26.91,;2.12,-26.14,;3.45,-28.45,;19.45,-26.88,;26.12,-26.11,;27.45,-26.89,;28.78,-26.12,;28.78,-24.58,;27.44,-23.81,;26.11,-24.58,)|
CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccc(cc2)C(O)=O)n1 |r,wU:7.7,(21.46,-36.35,;20.13,-37.12,;20.13,-38.66,;21.47,-39.43,;21.47,-40.97,;22.81,-41.74,;24.14,-40.97,;25.47,-41.75,;25.47,-43.29,;26.81,-40.98,;28.14,-41.75,;29.47,-40.98,;29.47,-39.44,;28.13,-38.67,;26.8,-39.44,;20.14,-41.74,;18.81,-40.97,;17.48,-41.74,;16.14,-40.97,;14.81,-41.74,;13.48,-40.97,;13.48,-39.44,;14.81,-38.66,;16.14,-39.43,;12.14,-38.67,;12.14,-37.13,;10.81,-39.45,;9.48,-38.68,;8.14,-39.46,;8.15,-41.01,;6.81,-41.78,;5.48,-41.01,;5.48,-39.46,;6.81,-38.69,;4.14,-41.78,;2.81,-41.01,;4.14,-43.32,;18.8,-39.43,)|
CC(C)CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccc(cc2)C(O)=O)n1 |r,wU:10.10,(56.09,-33.98,;54.76,-34.75,;53.42,-33.99,;54.76,-36.29,;53.43,-37.07,;53.44,-38.61,;54.78,-39.38,;54.78,-40.92,;56.11,-41.69,;57.45,-40.92,;58.78,-41.69,;58.78,-43.23,;60.11,-40.92,;61.44,-41.7,;62.78,-40.93,;62.78,-39.39,;61.44,-38.62,;60.11,-39.39,;53.45,-41.69,;52.12,-40.92,;50.78,-41.69,;49.45,-40.92,;48.11,-41.68,;46.79,-40.92,;46.78,-39.38,;48.11,-38.6,;49.45,-39.37,;45.45,-38.62,;45.44,-37.08,;44.12,-39.39,;42.78,-38.63,;41.45,-39.4,;41.45,-40.95,;40.12,-41.72,;38.78,-40.95,;38.78,-39.41,;40.11,-38.64,;37.45,-41.72,;36.12,-40.95,;37.45,-43.26,;52.11,-39.38,)|
CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccccc2SC(F)(F)F)n1 |r,wU:7.7,(20.04,-50.22,;18.71,-51,;18.72,-52.54,;20.06,-53.31,;20.06,-54.85,;21.39,-55.62,;22.73,-54.85,;24.06,-55.62,;24.06,-57.16,;25.39,-54.85,;26.72,-55.62,;28.06,-54.86,;28.06,-53.31,;26.72,-52.54,;25.39,-53.32,;18.73,-55.62,;17.4,-54.85,;16.06,-55.62,;14.73,-54.85,;13.39,-55.61,;12.07,-54.85,;12.06,-53.31,;13.39,-52.53,;14.73,-53.3,;10.73,-52.55,;10.72,-51.01,;9.4,-53.32,;8.06,-52.56,;6.73,-53.33,;5.39,-52.57,;4.07,-53.34,;4.06,-54.88,;5.4,-55.65,;6.73,-54.88,;8.07,-55.65,;8.07,-57.19,;7.29,-58.52,;6.52,-57.18,;9.41,-57.96,;17.39,-53.31,)|
CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccccc2OC(F)(F)F)n1 |r,wU:7.7,(55.34,-51.68,;54.01,-52.45,;54.01,-53.99,;55.36,-54.76,;55.35,-56.3,;56.69,-57.07,;58.02,-56.31,;59.36,-57.08,;59.35,-58.62,;60.69,-56.31,;62.02,-57.08,;63.35,-56.31,;63.35,-54.77,;62.01,-54,;60.68,-54.77,;54.02,-57.07,;52.69,-56.3,;51.36,-57.07,;50.03,-56.3,;48.69,-57.07,;47.36,-56.31,;47.36,-54.77,;48.69,-53.99,;50.02,-54.76,;46.02,-54,;46.02,-52.46,;44.69,-54.78,;43.36,-54.01,;42.03,-54.79,;40.69,-54.02,;39.36,-54.79,;39.36,-56.34,;40.69,-57.11,;42.03,-56.34,;43.37,-57.11,;43.36,-58.64,;42.58,-59.97,;41.82,-58.64,;44.7,-59.41,;52.68,-54.77,)|
CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)n1 |r,wU:7.7,(18.77,-3.6,;17.44,-4.37,;17.44,-5.91,;18.78,-6.68,;18.78,-8.22,;20.12,-8.99,;21.45,-8.22,;22.78,-8.99,;22.78,-10.53,;24.12,-8.22,;25.45,-9,;26.78,-8.23,;26.78,-6.69,;25.44,-5.92,;24.11,-6.69,;17.45,-8.99,;16.12,-8.22,;14.79,-8.99,;13.45,-8.22,;12.12,-8.99,;10.79,-8.22,;10.79,-6.69,;12.12,-5.9,;13.45,-6.68,;9.45,-5.92,;9.45,-4.38,;8.12,-6.7,;6.78,-5.93,;5.45,-6.71,;4.12,-5.94,;2.79,-6.71,;2.79,-8.26,;4.12,-9.03,;5.46,-8.26,;6.79,-9.02,;7.55,-7.68,;8.33,-9.01,;6.8,-10.56,;16.11,-6.68,)|
CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccc(cc2)C(F)(F)F)n1 |r,wU:7.7,(60.82,-3,;59.49,-3.77,;59.5,-5.31,;60.84,-6.08,;60.84,-7.62,;62.17,-8.39,;63.51,-7.62,;64.84,-8.39,;64.84,-9.93,;66.17,-7.63,;67.51,-8.4,;68.84,-7.63,;68.84,-6.09,;67.5,-5.32,;66.17,-6.09,;59.51,-8.39,;58.18,-7.62,;56.84,-8.39,;55.51,-7.62,;54.17,-8.39,;52.84,-7.62,;52.84,-6.09,;54.17,-5.3,;55.51,-6.08,;51.5,-5.32,;51.5,-3.78,;50.18,-6.1,;48.84,-5.33,;47.51,-6.11,;47.52,-7.66,;46.18,-8.43,;44.84,-7.66,;44.84,-6.11,;46.17,-5.34,;43.5,-8.42,;44.27,-9.75,;42.73,-9.75,;42.17,-7.66,;58.17,-6.08,)|
CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccccc2)n1 |r,wU:7.7,(19.18,-17.88,;17.85,-18.65,;17.85,-20.19,;19.2,-20.96,;19.2,-22.5,;20.53,-23.27,;21.86,-22.5,;23.2,-23.27,;23.2,-24.81,;24.53,-22.5,;25.86,-23.28,;27.19,-22.51,;27.2,-20.97,;25.85,-20.2,;24.53,-20.97,;17.86,-23.27,;16.53,-22.5,;15.2,-23.27,;13.87,-22.5,;12.53,-23.27,;11.2,-22.5,;11.2,-20.97,;12.53,-20.18,;13.86,-20.96,;9.86,-20.2,;9.86,-18.66,;8.53,-20.98,;7.2,-20.21,;5.87,-20.99,;4.53,-20.22,;3.2,-20.99,;3.2,-22.54,;4.53,-23.31,;5.87,-22.54,;16.53,-20.96,)|
CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)Nc2ccc(CC(O)=O)cc2)n1 |r,wU:7.7,(54.98,-18.88,;53.65,-19.65,;53.66,-21.19,;55,-21.97,;55,-23.51,;56.33,-24.28,;57.66,-23.51,;59,-24.28,;59,-25.82,;60.33,-23.51,;61.67,-24.28,;63,-23.52,;63,-21.98,;61.66,-21.2,;60.33,-21.98,;53.66,-24.28,;52.33,-23.51,;51,-24.28,;49.66,-23.51,;48.33,-24.27,;47,-23.51,;47,-21.97,;48.32,-21.19,;49.66,-21.97,;45.66,-21.21,;45.66,-19.66,;44.33,-21.98,;42.99,-21.22,;42.99,-19.68,;41.66,-18.91,;40.32,-19.69,;38.98,-18.93,;37.65,-19.7,;36.32,-18.94,;37.66,-21.24,;40.33,-21.24,;41.67,-22,;52.33,-21.97,)|
CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCCCC1 |(17.73,-31.09,;16.4,-31.87,;16.4,-33.41,;15.08,-34.18,;15.09,-35.72,;13.75,-36.49,;12.42,-35.72,;11.08,-36.49,;9.75,-35.72,;9.75,-34.18,;11.08,-33.4,;12.42,-34.18,;8.42,-33.42,;8.41,-31.88,;7.09,-34.19,;5.75,-33.43,;4.42,-34.2,;3.08,-33.44,;1.75,-34.21,;1.75,-35.76,;3.09,-36.53,;4.42,-35.75,;5.75,-36.52,;6.52,-35.18,;7.29,-36.51,;5.76,-38.06,;16.41,-36.49,;17.75,-35.72,;17.75,-34.18,;19.08,-36.49,;19.07,-38.03,;20.4,-38.8,;21.74,-38.04,;21.74,-36.5,;20.41,-35.72,)|
CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCCC1 |(45.64,-30.95,;44.31,-31.72,;44.31,-33.26,;42.98,-34.04,;42.99,-35.57,;41.66,-36.34,;40.33,-35.57,;38.99,-36.34,;37.66,-35.58,;37.66,-34.04,;38.99,-33.26,;40.32,-34.03,;36.32,-33.27,;36.32,-31.73,;34.99,-34.05,;33.66,-33.28,;32.33,-34.06,;30.99,-33.3,;29.66,-34.07,;29.66,-35.61,;30.99,-36.38,;32.33,-35.61,;33.66,-36.38,;34.42,-35.04,;35.2,-36.37,;33.67,-37.92,;44.32,-36.34,;45.65,-35.57,;45.66,-34.03,;46.99,-36.35,;47.15,-37.87,;48.65,-38.19,;49.43,-36.86,;48.4,-35.72,)|
CNc1nc(NCc2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)n1 |(69.68,-31.78,;68.35,-32.56,;68.35,-34.1,;69.7,-34.87,;69.7,-36.41,;71.03,-37.18,;72.36,-36.41,;73.7,-37.18,;73.69,-38.72,;75.02,-39.49,;76.36,-38.72,;76.35,-37.17,;75.02,-36.41,;68.36,-37.18,;67.03,-36.41,;65.7,-37.18,;64.37,-36.41,;63.03,-37.17,;61.7,-36.41,;61.7,-34.87,;63.03,-34.09,;64.37,-34.86,;60.37,-34.11,;60.36,-32.57,;59.03,-34.88,;57.7,-34.12,;56.37,-34.89,;55.03,-34.13,;53.7,-34.9,;53.7,-36.44,;55.04,-37.21,;56.37,-36.44,;57.7,-37.21,;58.47,-35.87,;59.24,-37.2,;57.71,-38.75,;67.03,-34.87,)|
CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N(C)CCN(C)C |(19.35,-45.17,;18.02,-45.94,;18.02,-47.48,;16.7,-48.25,;16.7,-49.79,;15.37,-50.56,;14.04,-49.79,;12.7,-50.56,;11.37,-49.79,;11.37,-48.26,;12.7,-47.47,;14.03,-48.25,;10.03,-47.49,;10.03,-45.95,;8.7,-48.27,;7.37,-47.5,;6.04,-48.28,;4.7,-47.51,;3.37,-48.28,;3.37,-49.83,;4.7,-50.6,;6.04,-49.83,;7.37,-50.59,;8.14,-49.26,;8.91,-50.58,;7.38,-52.13,;18.03,-50.56,;19.37,-49.79,;19.37,-48.25,;20.7,-50.56,;20.7,-52.1,;22.03,-49.79,;23.37,-50.56,;24.7,-49.79,;26.03,-50.57,;24.7,-48.25,)|
CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1 |(45.76,-44.82,;44.43,-45.6,;44.44,-47.14,;43.11,-47.91,;43.12,-49.45,;41.78,-50.22,;40.45,-49.45,;39.11,-50.22,;37.79,-49.45,;37.78,-47.91,;39.11,-47.13,;40.45,-47.91,;36.45,-47.15,;36.44,-45.61,;35.12,-47.92,;33.78,-47.16,;32.45,-47.93,;31.11,-47.17,;29.79,-47.94,;29.78,-49.49,;31.12,-50.26,;32.46,-49.48,;33.79,-50.25,;34.55,-48.91,;35.33,-50.24,;33.79,-51.79,;44.45,-50.22,;45.78,-49.45,;45.78,-47.91,;47.11,-50.22,;47.1,-51.76,;48.43,-52.53,;49.77,-51.77,;51.1,-52.55,;49.77,-50.23,;48.44,-49.45,)|
CNc1nc(Nc2ccc(cc2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1
CNc1nc(nc(n1)N1CCN(C)CC1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1nc(nc(n1)N1CCN(C)CC1)N1CC(C1)C(=O)NCc1ccccc1C(F)(F)F
CNc1nc(NCc2ccc(cc2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1
CNc1nc(NCc2cc(oc2C)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1
CNc1nc(nc(n1)N1CCCc2cc(ccc12)C(=O)NCc1ccccc1C(F)(F)F)N1CCN(C)CC1
CNc1nc(Oc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1
C[C@@H](CNc1ncnc(NC2CCC(CC2)C(=O)NCc2ccc(cc2)C(O)=O)n1)c1ccccc1 |r,wU:1.0,(24.78,-28.42,;24.78,-26.88,;23.45,-26.11,;22.12,-26.88,;20.78,-26.11,;20.78,-24.57,;19.44,-23.8,;18.11,-24.57,;18.12,-26.11,;16.79,-26.88,;15.45,-26.11,;14.12,-26.88,;12.79,-26.11,;12.79,-24.57,;14.11,-23.79,;15.45,-24.57,;11.45,-23.81,;11.45,-22.27,;10.12,-24.58,;8.78,-23.82,;7.45,-24.59,;7.46,-26.14,;6.12,-26.92,;4.79,-26.15,;4.79,-24.6,;6.12,-23.83,;3.45,-26.91,;2.12,-26.14,;3.45,-28.45,;19.45,-26.88,;26.12,-26.11,;27.45,-26.89,;28.78,-26.12,;28.78,-24.58,;27.44,-23.81,;26.11,-24.58,)|
OC(=O)CCNC(=O)NC1CCCCC1
CCCCCNC(=O)CCCNC(=O)Nc1cccc(Cl)c1
CCCCCNC(=O)NCCNC(=O)Nc1cccc(Cl)c1
CCCCCCC(O)CCCNC(=O)Nc1cccc(Cl)c1
CCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.23.20,22:21:24:17.16.18,THB:16:15:17.18.22:20,16:17:15.23.24:20|
OCCCNC(=O)NC1CCCCC1
C1CCC(CC1)NC(=O)NCC(=O)O
CCCCCCC(=O)OCCNC(=O)Nc1cccc(Cl)c1
CCCCCOC(=O)CCCNC(=O)NC1CCCCC1
CCOC(=O)CCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:31:26:33:30.32.29,31:30:33:26.25.27,THB:25:24:26.27.31:29,25:26:24.32.33:29|
CCOC(=O)COC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:22.24.21,23:22:25:18.17.19,THB:17:16:18.19.23:21,17:18:16.25.24:21|
CCOC(=O)CCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:27:34:31.33.30,32:31:34:27.26.28,THB:26:25:27.28.32:30,26:27:25.33.34:30|
CCOC(=O)C=Cc1ccc(OC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |w:5.4,THB:29:21:24:27.28.26,29:27:21.30.22:24,22:21:23.24.28:26,22:23:21.30.29:26|
CCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:18.17.19,17:18:22:16.15.21,THB:23:18:14.22.15:21,17:16:22:18.23.19|
[#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] |THB:19:20:15:18.23.17,19:18:15:20.22.21,22:14:17:20.21.19,22:20:14.23.15:17|
CCCCCNC(=O)OCCNC(=O)Nc1cccc(Cl)c1
CCOC(=O)CCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:21.20.22,THB:22:23:18:21.26.20,22:21:18:23.25.24,26:21:17.18.25:24|
CCCCCCCCCCNC(=O)NC1CCCCC1
CCCCCOC(=O)CCCNC(=O)Nc1cccc(Cl)c1
CCOC(=O)CCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:29:24:31:28.30.27,29:28:31:24.23.25,THB:23:22:24.25.29:27,23:24:22.30.31:27|
COC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:12:11:13.14.18:16,12:13:11.19.20:16|
OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|
CCCCCOC(=O)NCCNC(=O)Nc1cccc(Cl)c1
COC(=O)CNC(=O)NC1CCCCC1
COC(=O)CCNC(=O)NC1CCCCC1
CCCCCOC(=O)OCCNC(=O)Nc1cccc(Cl)c1
CCOC(=O)CCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:25:20:23.28.22,24:23:20:25.27.26,27:19:22:25.26.24,27:25:19.20.28:22|
CCCCCCC(=O)NCCNC(=O)Nc1cccc(Cl)c1
CCOC(=O)Cc1ccc(OC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,23:24:28:22.21.27,THB:29:24:20.21.28:27,23:22:28:24.29.25|
COCCCNC(=O)NC1CCCCC1
CCCCCCC(=O)CCCNC(=O)Nc1cccc(Cl)c1
CCOC(=O)CCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:26:27:22:25.30.24,26:25:22:27.29.28,29:21:24:27.28.26,29:27:21.22.30:24|
CCOC(=O)c1ccc(COC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:25:26:21:24.29.23,25:24:21:26.28.27,29:24:20.28.21:27|
OCCCCCNC(=O)NC1CCCCC1
CCOC(=O)CCCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:33:28:35:32.34.31,33:32:35:28.27.29,THB:27:26:28.29.33:31,27:28:26.34.35:31|
CCOC(=O)CCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:24:19:22.27.21,23:22:19:24.26.25,26:18:21:24.25.23,26:24:18.19.27:21|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)CCC(=O)N1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)CCC(=O)NC1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC(C)CNC(=O)CCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2 |TLB:11:12:18.19.21:15,THB:22:19:15:23.12.13,22:12:18.19.21:15,13:12:18:21.14.15,13:14:18:23.22.12,20:19:15:23.12.13,11:12:18:21.14.15|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)\C=C/C(=O)N1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)\C=C\C(=O)NC1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC(C)CNC(=O)\C=C\C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2 |TLB:11:12:18.19.21:15,THB:22:19:15:23.12.13,22:12:18.19.21:15,13:12:18:21.14.15,13:14:18:23.22.12,20:19:15:23.12.13,11:12:18:21.14.15|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)CCCC(=O)N1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)CCCC(=O)NC1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC(C)CNC(=O)CCCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2 |TLB:12:13:19.20.22:16,THB:23:20:16:24.13.14,23:13:19.20.22:16,14:13:19:22.15.16,14:15:19:24.23.13,21:20:16:24.13.14,12:13:19:22.15.16|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1ccc(cc1)C(=O)N1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1ccc(cc1)C(=O)NC1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC(C)CNC(=O)c1ccc(cc1)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2 |TLB:15:16:22.23.25:19,THB:26:23:19:27.16.17,26:16:22.23.25:19,17:16:22:25.18.19,17:18:22:27.26.16,24:23:19:27.16.17,15:16:22:25.18.19|
CC(C)CNC(=O)CCCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2 |TLB:18:19:17.16.22:23,THB:20:19:16:22.21.23,20:21:18.19.24:16,18:17:19.24.20:23|
CC(C)CNC(=O)CCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.15.21:22,THB:17:16:18.23.19:22,19:18:15:21.20.22,19:20:17.18.23:15|
CC(C)CNC(=O)CCCC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:12:13:15:19.18.17,THB:17:16:13:19.18.20,17:18:13:15.16.22,20:21:15:19.18.17,20:18:15:13.22.21,(70.91,-40.31,;69.69,-41.26,;69.91,-42.79,;68.27,-40.68,;67.05,-41.63,;65.62,-41.05,;65.41,-39.53,;64.41,-42,;62.97,-41.42,;61.75,-42.35,;60.32,-41.77,;60.11,-40.24,;59.09,-42.71,;57.67,-42.13,;56.36,-42.92,;55.79,-44.37,;55.5,-42.64,;54.3,-41.75,;54.74,-40.39,;55.09,-41.96,;56.04,-39.62,;57.26,-40.55,;56.69,-41.88,)|
CC(C)CNC(=O)CCCC(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:17:18:23:15.16.22,17:16:23:13.19.18,THB:12:13:23:15.16.22,22:20:13:15.16.17,22:16:13:23.20.19,21:20:13:15.16.17,(19.34,-51.54,;18.12,-52.49,;18.34,-54.01,;16.7,-51.91,;15.48,-52.86,;14.06,-52.28,;13.84,-50.75,;12.84,-53.23,;11.41,-52.64,;10.18,-53.58,;8.75,-52.99,;8.54,-51.47,;7.53,-53.94,;6.1,-53.36,;4.8,-54.15,;3.52,-53.19,;3.17,-51.62,;4.48,-50.85,;5.69,-51.78,;5.12,-53.11,;3.93,-53.87,;2.6,-54.64,;2.74,-52.98,;4.23,-55.6,)|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)Nc1ccc(cc1)C(=O)N1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1 |TLB:10:9:7:4.3.2,12:9:7:4.3.2,12:9:7.5.4:2,THB:8:5:2:11.9.10,8:9:7.5.4:2,10:3:7:11.8.9,6:5:2:11.9.10|
CC(C)CNC(=O)c1ccc(NC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)cc1 |TLB:14:15:21.22.24:18,THB:25:22:18:26.15.16,25:15:21.22.24:18,16:15:21:24.17.18,16:17:21:26.25.15,23:22:18:26.15.16,14:15:21:24.17.18|
CC(NC(=O)Nc1ccc(cc1)C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 |TLB:23:24:22.21.27:28,THB:23:22:24.29.25:28,25:24:21:27.26.28,25:26:23.24.29:21|
CC(NC(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 |TLB:1:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
CC(C)CNC(=O)c1ccc(NC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
O=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C(=O)N1CCCCC1 |TLB:2:3:5:9.8.7,THB:7:6:3:9.8.10,7:8:3:5.6.12,10:11:5:9.8.7,10:8:5:3.12.11,(7.72,-25.81,;7.79,-27.34,;6.48,-28.18,;5.12,-27.47,;3.76,-28.13,;3.06,-29.52,;2.92,-27.77,;1.81,-26.77,;2.37,-25.46,;2.58,-27.06,;3.74,-24.81,;4.86,-25.85,;4.17,-27.12,;9.15,-28.06,;10.45,-27.23,;11.81,-27.94,;13.11,-27.11,;13.04,-25.57,;11.67,-24.86,;10.38,-25.7,;14.34,-24.74,;14.27,-23.21,;15.71,-25.45,;15.77,-27,;17.13,-27.71,;18.43,-26.88,;18.36,-25.34,;17,-24.63,)|
O=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C(=O)NC1CCCCC1 |TLB:2:3:5:9.8.7,THB:7:6:3:9.8.10,7:8:3:5.6.12,10:11:5:9.8.7,10:8:5:3.12.11,(33.15,-24.4,;33.22,-25.94,;31.91,-26.77,;30.55,-26.06,;29.18,-26.73,;28.48,-28.12,;28.34,-26.37,;27.23,-25.37,;27.79,-24.06,;28,-25.66,;29.16,-23.41,;30.28,-24.45,;29.6,-25.72,;34.58,-26.65,;35.88,-25.82,;37.24,-26.53,;38.54,-25.71,;38.47,-24.17,;37.1,-23.46,;35.81,-24.29,;39.77,-23.34,;39.7,-21.8,;41.14,-24.05,;41.21,-25.59,;39.9,-26.41,;39.96,-27.94,;41.33,-28.66,;42.63,-27.83,;42.57,-26.29,)|
CC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:14:15:17:21.20.19,THB:19:18:15:21.20.22,19:20:15:17.18.24,22:23:17:21.20.19,22:20:17:15.24.23,(70.58,-23.14,;69.28,-23.97,;69.35,-25.51,;67.91,-23.27,;66.61,-24.09,;65.25,-23.39,;65.18,-21.85,;63.95,-24.22,;64.02,-25.76,;62.72,-26.58,;61.36,-25.87,;60.06,-26.7,;58.69,-25.99,;58.63,-24.45,;57.39,-26.82,;56.02,-26.11,;54.65,-26.77,;53.95,-28.17,;53.82,-26.42,;52.71,-25.42,;53.26,-24.11,;53.47,-25.71,;54.63,-23.46,;55.76,-24.5,;55.07,-25.77,;61.28,-24.34,;62.57,-23.51,)|
OC12CC3CC(C1)C(NC(=O)Nc1ccc(cc1)C(=O)N1CCCCC1)C(C3)C2 |TLB:27:26:6:4.3.2,THB:8:7:6:4.3.2,2:1:7:4.3.27,2:3:7:6.1.28,27:3:6:7.28.26,0:1:7:4.3.27,(2.57,-36.92,;3.91,-36.16,;2.8,-35.16,;3.35,-33.84,;3.56,-35.45,;4.74,-36.51,;4.04,-37.91,;6.11,-35.86,;7.47,-36.56,;8.78,-35.73,;8.71,-34.19,;10.14,-36.44,;11.44,-35.61,;12.8,-36.33,;14.1,-35.5,;14.03,-33.96,;12.66,-33.25,;11.37,-34.08,;15.33,-33.13,;15.26,-31.59,;16.7,-33.84,;16.76,-35.38,;18.12,-36.09,;19.42,-35.27,;19.35,-33.73,;17.99,-33.01,;5.85,-34.24,;4.73,-33.2,;5.16,-35.51,)|
OC12CC3CC(C1)C(NC(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1)C(C3)C2 |TLB:28:27:6:4.3.2,THB:8:7:6:4.3.2,2:1:7:4.3.28,2:3:7:6.1.29,28:3:6:7.29.27,0:1:7:4.3.28,(26.88,-36.63,;28.22,-35.87,;27.11,-34.87,;27.67,-33.55,;27.88,-35.16,;29.06,-36.22,;28.36,-37.62,;30.43,-35.56,;31.8,-36.27,;33.1,-35.44,;33.03,-33.9,;34.47,-36.15,;35.76,-35.32,;37.13,-36.03,;38.42,-35.21,;38.36,-33.66,;36.98,-32.95,;35.69,-33.79,;39.65,-32.84,;39.58,-31.3,;41.02,-33.54,;41.09,-35.08,;39.78,-35.91,;39.85,-37.44,;41.21,-38.16,;42.51,-37.33,;42.45,-35.78,;30.17,-33.95,;29.04,-32.91,;29.48,-35.22,)|
CC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1 |TLB:19:20:25:17.18.24,19:18:25:15.21.20,THB:14:15:25:17.18.24,24:22:15:17.18.19,24:18:15:25.22.21,23:22:15:17.18.19,(70.34,-32.52,;69.04,-33.35,;69.11,-34.89,;67.68,-32.65,;66.38,-33.47,;65.01,-32.77,;64.94,-31.23,;63.71,-33.6,;63.78,-35.14,;62.48,-35.96,;61.12,-35.25,;59.82,-36.08,;58.46,-35.37,;58.39,-33.83,;57.15,-36.2,;55.79,-35.49,;54.42,-36.15,;53.24,-35.09,;53.03,-33.49,;54.4,-32.84,;55.52,-33.88,;54.84,-35.15,;53.58,-35.8,;52.24,-36.56,;52.47,-34.8,;53.72,-37.55,;61.05,-33.72,;62.34,-32.89,)|
OC12CC3CC(C1)CC(C3)(C2)NC(=O)Nc1ccc(cc1)C(=O)N1CCCCC1 |TLB:6:1:9:7.5.4,4:3:10:7.5.6,4:5:10:2.9.3,THB:6:5:10.1.2:9|
OC12CC3CC(C1)CC(C3)(C2)NC(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1 |TLB:9:8:6:2.3.4,4:3:10:7.5.6,4:5:10:2.9.3,11:8:6:2.3.4,THB:9:3:10.8.7:6|
CC(C)CNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1 |TLB:18:19:24:23.16.17,THB:16:15:20:23.17.18,16:17:24.15.25:20,18:17:24:25.19.20,14:15:20:23.17.18|
[H][C@@]1(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc3c(O)c2C(=O)O1)[C@@H](C)C(O)=O |r|
CC(C)S(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C2(CC2)C(F)(F)F)c(Cl)c1
CCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(Cl)c1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(=O)(=O)C2CC2)cc1Cl
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1F
CC(C)(C)c1ccc(cc1)C(=O)NCc1c(F)cc(NS(C)(=O)=O)cc1F
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1
CC(C)Oc1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
COC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CC(F)(F)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(CC(F)(F)F)cc2)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)C(F)(F)F)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C23CC(C2)C3)c(Cl)c1
CN(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CCOc1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCCC2)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C2(O)COC2)c(Cl)c1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1Cl
COc1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCC2)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCCCC2)c(Cl)c1
CC(C)(C)c1ccc(cc1)C(=O)NCc1c(Cl)cc(NS(C)(=O)=O)cc1Cl
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCOCC2)c(Cl)c1
CC(C)(O)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=S)Nc1ccc(cc1)C(F)(F)F |TLB:13:14:4:2.1.15,14:3:7.6.8:15,10:9:4:2.1.15,THB:0:1:4:14.7.6.9,8:7:4:2.1.15,8:1:4:14.7.6.9,9:7:3.4.2:15|
Cc1ccc(OC(=O)NC23CC4CC(C)(CC(C2)c2ccccc42)C3)cc1 |TLB:23:11:16.17.15:24,19:18:10:12.13.24,22:23:10:12.13.24,THB:15:16:10:12.13.24,15:13:10:23.16.17.18,18:16:11.10.12:24,14:13:10:23.16.17.18|
CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)Nc1ccc(F)c(F)c1F |TLB:14:3:7.6.8:15,10:9:4:2.1.15,13:14:4:2.1.15,THB:8:7:4:2.1.15,8:1:4:14.7.6.9,9:7:3.4.2:15,0:1:4:14.7.6.9|
CC12CC3CC(CC(C1)c1ccccc31)(NC(=O)Nc1ccc(F)c(F)c1F)O2 |TLB:14:3:7.6.8:28,10:9:4:2.1.28,13:14:4:2.1.28,THB:8:7:4:2.1.28,8:1:4:14.7.6.9,9:7:3.4.2:28,0:1:4:14.7.6.9|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(C)(CC(C1)c1ccccc31)C2 |TLB:27:15:20.21.19:28,23:22:14:16.17.28,26:27:14:16.17.28,THB:19:20:14:16.17.28,19:17:14:27.20.21.22,22:20:15.14.16:28,18:17:14:27.20.21.22|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(C)(CC(C1)c1ccccc31)O2 |TLB:27:15:20.21.19:28,23:22:14:16.17.28,26:27:14:16.17.28,THB:19:20:14:16.17.28,19:17:14:27.20.21.22,22:20:15.14.16:28,18:17:14:27.20.21.22|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C1)c1ccccc31)O2 |TLB:26:15:19.20.18:27,22:21:14:16.17.27,25:26:14:16.17.27,THB:18:19:14:16.17.27,18:17:14:26.19.20.21,21:19:15.14.16:27|
CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(O)=O |r,wU:23.30,wD:20.23,TLB:14:3:7.6.8:15,10:9:4:2.1.15,13:14:4:2.1.15,THB:8:7:4:2.1.15,8:1:4:14.7.6.9,9:7:3.4.2:15,0:1:4:14.7.6.9,(54.65,-28.03,;55.05,-29.51,;54.03,-30.74,;54.03,-32.3,;55.42,-32.86,;56.42,-31.6,;55.04,-31.94,;53.73,-31.46,;53.72,-29.99,;51.45,-31.64,;49.96,-32.05,;49.58,-33.55,;50.69,-34.63,;52.17,-34.21,;52.54,-32.72,;56.43,-30.09,;57.74,-32.36,;59.06,-31.6,;59.06,-30.07,;60.38,-32.36,;61.71,-31.59,;63.04,-32.37,;64.37,-31.61,;64.38,-30.07,;63.05,-29.29,;61.71,-30.06,;65.72,-29.3,;67.05,-30.08,;67.03,-31.61,;68.36,-32.39,;69.7,-31.63,;69.7,-30.08,;68.37,-29.31,;71.03,-32.4,;71.03,-33.94,;72.37,-31.64,)|
CC12CC3CC(CC(C1)c1ccccc31)(NC(=O)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(O)=O)O2 |r,wU:22.28,wD:19.21,TLB:14:3:7.6.8:35,10:9:4:2.1.35,13:14:4:2.1.35,THB:8:7:4:2.1.35,8:1:4:14.7.6.9,9:7:3.4.2:35,0:1:4:14.7.6.9,(7.35,-41.62,;7.75,-43.1,;6.73,-44.33,;6.73,-45.9,;8.12,-46.45,;9.12,-45.19,;7.74,-45.53,;6.43,-45.05,;6.42,-43.58,;4.15,-45.23,;2.66,-45.64,;2.27,-47.14,;3.39,-48.23,;4.87,-47.8,;5.24,-46.31,;10.44,-45.95,;11.76,-45.19,;11.76,-43.66,;13.08,-45.95,;14.41,-45.18,;15.74,-45.96,;17.07,-45.2,;17.08,-43.66,;15.75,-42.88,;14.4,-43.65,;18.42,-42.89,;19.75,-43.67,;19.73,-45.21,;21.06,-45.98,;22.4,-45.22,;22.4,-43.67,;21.07,-42.9,;23.73,-45.99,;23.73,-47.53,;25.07,-45.23,;9.13,-43.68,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(Cl)(CC(C2)c2ccccc42)C3)cc1 |r,wU:8.7,wD:11.14,TLB:32:20:25.26.24:33,28:27:19:21.22.33,31:32:19:21.22.33,THB:24:25:19:21.22.33,24:22:19:32.25.26.27,27:25:20.19.21:33,23:22:19:32.25.26.27,(49.77,-46.61,;49.78,-45.07,;51.11,-44.3,;48.45,-44.3,;47.11,-45.06,;45.78,-44.28,;45.79,-42.75,;44.46,-41.97,;43.13,-42.73,;43.12,-44.28,;41.79,-45.04,;40.46,-44.26,;40.45,-42.72,;41.79,-41.96,;39.12,-45.03,;37.8,-44.27,;37.8,-42.74,;36.49,-45.03,;35.17,-44.27,;34.17,-45.53,;32.78,-44.97,;32.77,-43.4,;33.8,-42.18,;33.4,-40.69,;32.46,-42.65,;32.47,-44.12,;33.79,-44.61,;30.19,-44.31,;28.71,-44.72,;28.32,-46.22,;29.44,-47.3,;30.92,-46.88,;31.28,-45.39,;35.18,-42.76,;47.12,-41.98,;48.45,-42.75,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(F)(CC(C2)c2ccccc42)C3)cc1 |r,wU:8.7,wD:11.14,TLB:32:20:25.26.24:33,28:27:19:21.22.33,31:32:19:21.22.33,THB:24:25:19:21.22.33,24:22:19:32.25.26.27,27:25:20.19.21:33,23:22:19:32.25.26.27,(74.96,-46.38,;74.97,-44.84,;76.3,-44.08,;73.64,-44.07,;72.3,-44.83,;70.97,-44.06,;70.98,-42.52,;69.65,-41.74,;68.32,-42.51,;68.31,-44.05,;66.98,-44.81,;65.65,-44.03,;65.64,-42.5,;66.98,-41.73,;64.31,-44.8,;62.99,-44.04,;62.99,-42.52,;61.68,-44.8,;60.36,-44.04,;59.36,-45.3,;57.97,-44.75,;57.96,-43.18,;58.99,-41.95,;58.59,-40.47,;57.65,-42.43,;57.66,-43.9,;58.98,-44.38,;55.38,-44.08,;53.9,-44.49,;53.51,-45.99,;54.63,-47.08,;56.11,-46.65,;56.47,-45.16,;60.37,-42.53,;72.31,-41.75,;73.64,-42.52,)|
CC[C@H](Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O
CC[C@@H](Cc1ccc(cc1)C(=O)NCc1ccc(OC)cc1C(F)(F)F)C(O)=O |r|
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3)c(=O)[nH]c2c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(CC3CCCCC3)c(=O)[nH]c2c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccn3)c(=O)[nH]c2c1
Fc1ccccc1Cn1c2ccc(cc2[nH]c1=O)C(=O)NCc1ccccc1C(F)(F)F
Fc1cccc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)c1
Fc1ccc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)cc1
Fc1cc(F)cc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3Cl)c(=O)[nH]c2c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3cccc(Cl)c3)c(=O)[nH]c2c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c2c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)c(=O)[nH]c2c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccc(Cl)cc3Cl)c(=O)[nH]c2c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(=O)[nH]c2c1
COc1ccccc1Cn1c2ccc(cc2[nH]c1=O)C(=O)NCc1ccccc1C(F)(F)F
COc1ccc(CNC(=O)c2ccc3n(Cc4ccccc4)c(=O)[nH]c3c2)c(c1)C(F)(F)F
COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)c(=O)[nH]c3c2)c(c1)C(F)(F)F
Fc1cccc(Cn2cnc3cc(ccc23)C(=O)NCc2ccccc2C(F)(F)F)c1
COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)cnc3c2)c(c1)C(F)(F)F
Fc1cccc(Cn2ncc3cc(ccc23)C(=O)NCc2ccccc2C(F)(F)F)c1
COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ncc3c2)c(c1)C(F)(F)F
Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc2ccccc2C(F)(F)F)c1
COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
CCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
c1cc(cc(c1)F)Cn2ccc3c2ccc(c3)C(=O)NCc4ccc(cc4C(F)(F)F)NS(=O)(=O)C5CC5
Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)c1
CSCc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)cc1
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(F)c1
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(Cl)c1
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)c(c1)C(F)(F)F
CC(c1cccc(F)c1)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(C)(=O)=O)cc1C(F)(F)F
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)C(=O)c2cccc(F)c2)c(c1)C(F)(F)F
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)S(=O)(=O)c2cccc(F)c2)c(c1)C(F)(F)F
FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2[nH]ccc2c1
Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
CCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
CC(C)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
CC(C)Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3CC3)ccc2c1
FC(F)(F)C(Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)C(F)(F)F
CC(C)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
COCCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3COC3)ccc2c1
CN(C)CCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
CN(C)C(=O)Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
Fc1cccc(c1)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
Cc1cc2cc(ccc2n1Cc1cccc(F)c1)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
CC(C)S(=O)(=O)n1c(C)cc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
Clc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2s1
Clc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1
Fc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
Clc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
Clc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Br)cc1
Cc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
Clc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1nccs1
Clc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1ncco1
Cc1ccc2sc(nc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
Cn1c(nc2ccccc12)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
Clc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C1Oc2ccccc2S1
Clc1ccc(Cc2ccc(NC(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3Cl)cc2)cc1
Clc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1nc(cs1)-c1ccccc1
Fc1ccc(cc1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
Clc1ccc(cc1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
Cc1ccc(cc1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
COc1ccc(cc1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
OC(=O)c1ccc(cc1)N1CCC(CC(=O)NC23CC4CC(F)(CC(C2)c2ccccc42)C3)CC1 |TLB:31:19:24.25.23:32,26:24:18.19.20:32,27:26:25:21.23.32,22:21:25:31.26.18.19,THB:20:19:25:21.23.32,20:21:25:31.26.18.19|
CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(C)(CC(C1)c1ccccc31)C2 |TLB:28:16:21.22.20:29,23:21:16.17.15:29,24:23:22:18.20.29,19:18:22:28.23.16.15,THB:17:16:22:18.20.29,17:18:22:28.23.16.15|
CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CCOCC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(C)(CC(C1)c1ccccc31)C2 |TLB:30:18:23.24.22:31,25:23:18.19.17:31,26:25:24:20.22.31,21:20:24:30.25.18.17,THB:19:18:24:20.22.31,19:20:24:30.25.18.17|
CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(Cl)(CC(C1)c1ccccc31)C2 |TLB:27:15:20.21.19:28,22:20:15.16.14:28,23:22:21:17.19.28,18:17:21:27.22.15.14,THB:16:15:21:17.19.28,16:17:21:27.22.15.14|
CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(Cl)(CC(C1)c1ccccc31)C2 |TLB:28:16:21.22.20:29,23:21:16.17.15:29,24:23:22:18.20.29,19:18:22:28.23.16.15,THB:17:16:22:18.20.29,17:18:22:28.23.16.15|
ClC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CCOCC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(Cl)(CC(C1)c1ccccc31)C2 |TLB:30:18:23.24.22:31,25:23:18.19.17:31,26:25:24:20.22.31,21:20:24:30.25.18.17,THB:19:18:24:20.22.31,19:20:24:30.25.18.17|
ClC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(Cl)(CC(C1)c1ccccc31)C2 |TLB:30:18:23.24.22:31,25:23:18.19.17:31,26:25:24:20.22.31,21:20:24:30.25.18.17,THB:19:18:24:20.22.31,19:20:24:30.25.18.17|
FC1(CC1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(Cl)(CC(C1)c1ccccc31)C2 |TLB:30:18:23.24.22:31,25:23:18.19.17:31,26:25:24:20.22.31,21:20:24:30.25.18.17,THB:19:18:24:20.22.31,19:20:24:30.25.18.17|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(F)(CC(C1)c1ccccc31)C2 |TLB:27:15:20.21.19:28,22:20:15.16.14:28,23:22:21:17.19.28,18:17:21:27.22.15.14,THB:16:15:21:17.19.28,16:17:21:27.22.15.14|
FC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CCOCC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
FC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(O)(CC(C1)c1ccccc31)C2 |TLB:27:15:20.21.19:28,22:20:15.16.14:28,23:22:21:17.19.28,18:17:21:27.22.15.14,THB:16:15:21:17.19.28,16:17:21:27.22.15.14|
COC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(C)=O |TLB:10:8:4.5.3:16,15:4:8.9.7:16,14:15:5:2.3.16,1:2:5:10.15.8.7,THB:9:8:5:2.3.16,9:2:5:10.15.8.7|
[2H]C12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CCOCC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
ClC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)CCC1(CCC#C)N=N1 |c:40,TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
CC(C)(C)NCC(=O)N1CCc2cc(NCc3ccc(F)cc3)ccc12
CC(C)(C)CNC(=S)Nc1ccc2N(CCc3ccc(F)cc3)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)-c3ccccc3)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc4ccccc4c3)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(CCCCO)CCc2c1
COCOc1ccc(CN2CCc3cc(NC(=S)NCC(C)(C)C)ccc23)cc1
CC(C)(C)CNC(=N)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(CCCCN)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(O)cc3)CCc2c1
Fc1ccc(CN2CCc3cc(NC(=O)NC4CCCCC4)ccc23)cc1
CC(C)(C)CNC(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
Fc1ccc(CN2CCc3cc(NC(=S)NCc4ccccc4)ccc23)cc1
Fc1ccc(CN2CCc3cc(NC(=S)Nc4ccccc4)ccc23)cc1
OC(=O)c1ccc(NC(=S)Nc2ccc3N(Cc4ccc(F)cc4)CCc3c2)cc1
CC(C)(C)CNC(=S)Nc1ccc2N(CCc2c1)C(=O)c1ccc(F)cc1
CC(C)(C)CNC(=S)Nc1ccc2N(CCc2c1)C(=O)Cc1ccc(F)cc1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)N=O)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2n(Cc3ccc(F)cc3)ccc2c1
CC(C)(C)CNC(=S)Nc1ccc2n(Cc3ccc(F)cc3)c3ccccc3c2c1
O=C(NC1=CC=CC1)NC12CC3CC(CC(C3)C1)C2 |c:5,t:3,TLB:8:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,8:9:12:16.15.14|
Cc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)no1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
O=C(Nc1nnc(o1)C1CC1)NC12CC3CC(CC(C3)C1)C2 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Cn1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Clc1cccc(NC(=O)NC2CCCCC2)c1
CCCCCOC(=O)CCCOC(=O)Oc1cccc(Cl)c1
OCc1ccccc1CC(=O)NC1CCCCC1
CCCCCOC(=O)CCCNC(=O)Oc1cccc(Cl)c1
OCc1ccccc1NC(=O)CC1CCCCC1
O=C(CC1CCCCC1)Nc1ccccc1
COc1ccc(NC(=O)CC2CCCCC2)cc1
O=C(CC1CCCCC1)NCCc1ccccc1
CCCCCCC(O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:18:21.22.20,22:17:24:21.23.20,22:21:24:17.16.18,THB:23:15:18:21.22.20,23:21:15.16.24:18|
CCCCCOC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:22:15.16.21,21:20:23:15.16.17,21:16:23:22.20.19,THB:17:16:22:23.18.19|
COc1ccc(CC(=O)NC2CCCCC2)cc1
CCCCCOC(=O)CCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:24:15:22:19.18.20,THB:14:15:22:19.18.20,24:19:15.23.16:22,20:21:16:19.24.18,20:19:16:21.23.22|
CCCCCOC(=O)CCCOC(=O)Nc1cccc(Cl)c1
O=C(Cc1ccccc1)NC1CCCCC1
Clc1cccc(CC(=O)NC2CCCCC2)c1
COc1ccc(NC(=O)NC2CCCCC2)cc1
OCc1ccccc1NC(=O)NC1CCCCC1
CCCCCOCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:20.21.19,21:16:23:20.22.19,21:20:23:16.15.17,THB:22:14:17:20.21.19,22:20:14.15.23:17|
CCCCCOC(=O)CCCOC(=O)Cc1cccc(Cl)c1
CCCCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:16.17.21:19,THB:22:14:17:20.21.19,22:20:14.23.15:17,15:14:16.17.21:19,15:16:14.23.22:19|
CCCCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:13:14:16.17.21:19,THB:22:14:17:20.21.19,22:20:14.23.15:17,15:14:16.17.21:19,15:16:14.23.22:19|
O=C(NC1CCCCC1)Nc1ccccc1
O=C(NCCc1ccccc1)NC1CCCCC1
Clc1cccc(NC(=O)CC2CCCCC2)c1
CCCCCOC(=O)CCCNC(=O)Cc1cccc(Cl)c1
CCCCCOC(=O)CCCCC(=O)Nc1cccc(Cl)c1
CCCCCOC(=O)CCCNC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:16:15:17.18.22:20,22:17:24:21.23.20,22:21:24:17.16.18,THB:16:17:15.23.24:20|
O=C(CCCc1ccccc1)NC1CCCCC1
FC(F)(F)c1cc(NS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2[nH]ccc2c1
OC(=O)CCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C2)Nc2ccc([N+]([O-])=O)c3nonc23)c(c1)C(F)(F)F |r|
CC(=O)c1ccc(NC(=O)c2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(C)c2)cc1
Cc1cc(ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccn1
Cc1cc(ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cnn(C)c1
Cc1cc(ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cn1
Cc1cc(ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(nc1)C(F)(F)F
Cc1cc(ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc2OCOc2c1
Cc1cc(ccc1N(CCN1CCSCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(ccc1N(CCN1CCS(=O)(=O)CC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(ccc1N(CCN1CC[S+]([O-])CC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(ccc1N(CCN1CCOCC1=O)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(ccc1N(CC(=O)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(ccc1N(CCN1CCCCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(ccc1N(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(ccc1N(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cn1
Cc1cc(ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cn1
Cc1cc(ccc1N(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc2OCOc2c1
Cc1cc(ccc1N(CCN1CCCC1=O)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc2OCOc2c1
[18F]c1ccc(cn1)C(=O)NCCC(c1ccccc1)c1ccccc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCC(=O)N4CCC(CC4)NC(=O)Nc4ccc(OC(F)(F)F)cc4)c3[C@]([H])(CC(C)=C1)C2 |r,c:50|
[H][C@@]12Cc3nc4cc(Cl)ccc4c(NCCCCC(=O)N4CCC(CC4)NC(=O)Nc4ccc(OC(F)(F)F)cc4)c3[C@@]([H])(CC(C)=C1)C2 |r,c:50|
Nc1c2CCCCc2nc2cc(Cl)ccc12
CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |r,t:1|
O=C(NC1CCN(CC1)C(=O)c1ccncc1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
OC(=O)c1cccc(c1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
COC(=O)c1ccc(cc1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26|
COC(=O)CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
COC(=O)c1cccc(c1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26|
OC(=O)c1ccccc1C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
O=C(NCC1CCN(CC1)C(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
O=C(NCC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
O=C(NC1CCN(CC1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
O=C(NC1CCN(CC1)C(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
OC(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
OC(=O)CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
COC(=O)c1ccccc1C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26|
CCCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
OC(=O)CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
CCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17|
O=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
CC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
COC(=O)CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
COC(=O)c1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27|
CCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16|
COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27|
O=C(NCC1CCN(CC1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
OC(=O)CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
COC(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26|
OC(=O)c1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26|
CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
OC(=O)c1ccc(cc1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26|
COC(=O)CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
FC(F)(F)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
O=C(NC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
COC(=O)c1cccc(c1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27|
O=C(NCC1CCN(CC1)C(=O)c1ccncc1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
CC(O)[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:23:26.25.30:28,THB:24:25:28:32.23.31,24:23:26.25.30:28,31:23:26:30.29.28,31:29:26:32.24.23,22:23:26:30.29.28|
CC(O)[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](-[#8])=O
OC(=O)CC[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](-[#8])=O |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)NC1CCCCC1
CSCC[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
C1CCC(CC1)NC(=O)NCCCC(=O)O
CC(C)[C@H](NC(=O)CNC(=O)NC1CCCCC1)C(O)=O
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](-[#8])=O
OC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](-[#8])=O
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27|
OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1
OC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1
OC[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
OC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)NC1CCCCC1
OC(=O)CC[C@H](NC(=O)CNC(=O)NC1CCCCC1)C(O)=O
C[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17|
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26|
OC(=O)CNC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29.28.33:31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29:33.32.31|
COC(=O)CCCNC(=O)NC1CCCCC1
OC(=O)[C@H](CC1C=NC2C=CC=CC12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |c:6,9,11,TLB:36:37:40.39.44:42,THB:38:39:42:46.37.45,38:37:40.39.44:42,45:37:40:44.43.42,45:43:40:46.38.37,36:37:40:44.43.42|
OC[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1
OC(=O)C[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)NC1CCCCC1
CC(O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
COC(=O)CCCCCNC(=O)NC1CCCCC1
CC(C)C[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
C1CCC(CC1)NC(=O)NCCCCCC(=O)O
OC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1
OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1
CCC(C)[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27|
C[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
CC(C)[C@H](NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1
CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
CCC(C)[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
CC(C)[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
OC(=O)C[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
CC(C)[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)C(O)=O
COC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCNC(=O)NC1CCCCC1
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](-[#8])=O |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCCNC(=O)NC1CCCCC1
OC(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
CSCC[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
CC(C)C[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
OC(=O)CC[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)C(O)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](-[#8])=O
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27.26.31:29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24,23:24:27:31.30.29|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27.26.31:29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24,23:24:27:31.30.29|
OC(=O)CNC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
OC(=O)CC[C@H](NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O
CC(C)[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
OC(=O)CC[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
OC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:16:13:18.19.20,17:18:13:16.15.21|
CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2c(Cl)cccc2Cl)cc1 |wD:6.5,9.12,(8.18,-20.05,;6.88,-19.22,;5.57,-20.04,;4.27,-19.21,;4.28,-17.57,;2.98,-16.74,;1.68,-17.56,;1.68,-19.2,;.38,-20.02,;-.92,-19.2,;-.92,-17.56,;.38,-16.73,;-2.22,-20.03,;-3.52,-19.2,;-3.53,-17.56,;-4.82,-20.03,;-6.13,-19.21,;-7.42,-20.04,;-7.41,-21.54,;-8.72,-19.22,;-8.73,-17.57,;-7.43,-16.75,;-6.12,-17.57,;-4.81,-16.84,;5.58,-16.75,;6.88,-17.57,)|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 |wD:6.5,9.12,(29.35,-5.95,;28.02,-5.17,;26.68,-5.94,;25.35,-5.17,;25.36,-3.62,;24.03,-2.85,;22.69,-3.62,;22.69,-5.16,;21.36,-5.92,;20.04,-5.16,;20.04,-3.62,;21.36,-2.84,;18.7,-5.93,;17.37,-5.16,;17.37,-3.62,;16.04,-5.93,;14.7,-5.16,;14.7,-3.62,;13.37,-2.85,;12.04,-3.63,;12.04,-5.17,;13.38,-5.94,;10.7,-2.86,;9.36,-2.08,;9.93,-4.2,;11.48,-1.53,;26.69,-2.86,;28.02,-3.63,)|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccccc2OC(F)(F)F)cc1 |wD:6.5,9.12,(11.86,-6.48,;10.55,-5.66,;9.25,-6.48,;7.95,-5.65,;7.96,-4,;6.66,-3.18,;5.35,-4,;5.35,-5.64,;4.05,-6.46,;2.75,-5.64,;2.75,-4,;4.05,-3.17,;1.45,-6.47,;.15,-5.64,;.15,-4,;-1.15,-6.47,;-2.46,-5.65,;-2.45,-4,;-3.76,-3.18,;-5.06,-4.01,;-5.05,-5.66,;-3.75,-6.47,;-3.74,-7.98,;-5.07,-8.76,;-6.41,-9.51,;-4.3,-10.09,;-5.83,-7.42,;9.25,-3.19,;10.55,-4.01,)|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(I)cc2)cc1 |wD:6.5,9.12,(31.16,-47.06,;29.83,-46.29,;28.49,-47.05,;27.16,-46.28,;27.17,-44.74,;25.83,-43.96,;24.5,-44.73,;24.5,-46.27,;23.17,-47.03,;21.84,-46.27,;21.84,-44.73,;23.17,-43.95,;20.51,-47.04,;19.17,-46.27,;19.17,-44.73,;17.85,-47.04,;16.51,-46.28,;16.51,-44.74,;15.18,-43.98,;13.85,-44.75,;12.51,-43.99,;13.86,-46.3,;15.19,-47.06,;28.49,-43.97,;29.83,-44.74,)|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC2CCCCCC2)cc1 |wD:6.5,9.12,(8.42,-48,;7.08,-47.23,;5.75,-47.99,;4.42,-47.22,;4.42,-45.68,;3.09,-44.91,;1.76,-45.67,;1.76,-47.21,;.43,-47.97,;-.9,-47.21,;-.9,-45.67,;.43,-44.89,;-2.23,-47.98,;-3.57,-47.21,;-3.57,-45.67,;-4.89,-47.98,;-6.23,-47.22,;-7.52,-48.1,;-8.97,-47.61,;-9.53,-46.11,;-8.76,-44.85,;-7.26,-44.65,;-6.13,-45.64,;5.75,-44.91,;7.08,-45.68,)|
OC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](CC2)Oc2ccc(F)cc2)cc1 |wD:14.17,11.10,(2.04,-5.24,;3.32,-4.45,;3.28,-2.95,;4.64,-5.17,;5.96,-4.36,;7.31,-5.1,;7.35,-6.64,;8.71,-7.38,;10.01,-6.55,;10,-4.91,;11.31,-7.38,;12.61,-6.55,;13.91,-7.37,;15.2,-6.55,;15.2,-4.91,;13.91,-4.08,;12.61,-4.91,;16.51,-4.09,;17.81,-4.91,;17.8,-6.56,;19.1,-7.39,;20.41,-6.57,;21.71,-7.39,;20.4,-4.92,;19.11,-4.1,;6.04,-7.45,;4.69,-6.72,)|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |wD:6.5,9.12,(8.62,-5.78,;7.29,-5,;5.95,-5.77,;4.62,-5,;4.63,-3.45,;3.29,-2.68,;1.96,-3.45,;1.96,-4.99,;.63,-5.75,;-.7,-4.99,;-.7,-3.45,;.63,-2.67,;-2.03,-5.76,;-3.37,-4.99,;-3.37,-3.45,;-4.7,-5.76,;-6.03,-4.99,;-6.03,-3.45,;-7.36,-2.68,;-8.7,-3.46,;-10.03,-2.69,;-10.04,-1.15,;-10.05,.4,;-8.5,-1.14,;-11.58,-1.16,;-8.69,-5,;-7.36,-5.76,;5.95,-2.69,;7.29,-3.46,)|
COC(=O)c1cccc(NC(=O)N[C@H]2CC[C@H](CC2)Oc2ccc(F)cc2)c1 |wD:16.19,13.12,(10.07,-6.05,;11.37,-5.22,;11.3,-3.68,;9.93,-2.97,;12.6,-2.85,;12.52,-1.3,;13.83,-.47,;15.2,-1.18,;15.26,-2.72,;16.63,-3.44,;17.93,-2.61,;17.92,-.97,;19.23,-3.43,;20.53,-2.6,;21.83,-3.42,;23.12,-2.6,;23.12,-.96,;21.83,-.14,;20.53,-.96,;24.43,-.15,;25.73,-.97,;25.72,-2.61,;27.02,-3.44,;28.33,-2.63,;29.63,-3.45,;28.33,-.97,;27.03,-.16,;13.96,-3.56,)|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wD:9.12,6.5,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(23.93,-16.11,;24.66,-14.74,;23.84,-13.43,;24.56,-12.07,;26.1,-12.02,;26.82,-10.66,;26,-9.35,;24.46,-9.4,;23.64,-8.1,;24.37,-6.75,;25.9,-6.67,;26.72,-7.99,;23.55,-5.45,;22,-5.51,;21.18,-4.2,;21.29,-6.87,;19.75,-6.93,;19.3,-8.5,;17.78,-8.52,;16.56,-9.49,;17.17,-7.85,;16.59,-6.47,;17.66,-5.52,;17.17,-7.05,;19.17,-5.51,;18.59,-7.79,;26.92,-13.32,;26.2,-14.68,)|
C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:5:6:9.8.13:11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6,5:6:9:13.12.11|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)cc2)cc1 |wD:6.5,9.12,(8.5,2.2,;7.17,2.97,;5.83,2.2,;4.5,2.98,;4.51,4.52,;3.18,5.29,;1.84,4.53,;1.84,2.99,;.51,2.22,;-.82,2.99,;-.82,4.53,;.51,5.3,;-2.15,2.21,;-3.48,2.98,;-3.49,4.52,;-4.82,2.21,;-6.15,2.98,;-6.15,4.52,;-7.48,5.29,;-8.82,4.52,;-10.15,5.28,;-8.81,2.97,;-7.47,2.21,;5.84,5.28,;7.17,4.52,)|
OC(=O)c1cccc(NC(=O)N[C@H]2CC[C@H](CC2)Oc2ccc(F)cc2)c1 |wD:15.18,12.11,(-2.43,-13.78,;-2.46,-12.27,;-3.78,-11.55,;-1.18,-11.49,;-1.15,-9.94,;.2,-9.19,;1.52,-9.99,;1.48,-11.54,;2.8,-12.33,;4.1,-11.51,;4.1,-9.87,;5.41,-12.33,;6.71,-11.5,;8,-12.32,;9.3,-11.5,;9.3,-9.86,;8,-9.03,;6.71,-9.86,;10.61,-9.05,;11.91,-9.87,;11.9,-11.51,;13.2,-12.34,;14.5,-11.53,;15.8,-12.35,;14.5,-9.87,;13.2,-9.05,;.14,-12.28,)|
Fc1cccc(F)c1CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:10.10,wD:13.17,TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(11.93,-7.54,;13.47,-7.54,;14.61,-8.57,;16.08,-8.09,;16.39,-6.58,;15.25,-5.55,;15.51,-4.03,;13.79,-6.03,;12.65,-5,;12.97,-3.5,;11.82,-2.47,;10.36,-2.94,;9.21,-1.92,;9.54,-.41,;10.99,.08,;12.14,-.96,;8.39,.62,;6.93,.13,;5.78,1.16,;6.61,-1.37,;5.15,-1.85,;4.2,-3.18,;2.77,-2.69,;1.29,-3.19,;2.43,-1.85,;2.34,-.36,;3.67,.17,;2.69,-1.1,;5.09,-.33,;3.78,-2.27,)|
Cc1cccc(C)c1NC(=O)N[C@H]1CC[C@H](CC1)Oc1ccc(F)cc1 |wD:15.19,12.12,(14.26,-14.23,;14.25,-12.73,;12.94,-11.92,;12.94,-10.26,;14.24,-9.44,;15.54,-10.26,;16.86,-9.53,;15.54,-11.9,;16.84,-12.73,;18.15,-11.9,;18.14,-10.25,;19.45,-12.72,;20.75,-11.89,;22.05,-12.71,;23.35,-11.89,;23.35,-10.25,;22.05,-9.42,;20.75,-10.25,;24.65,-9.43,;25.95,-10.26,;25.95,-11.9,;27.25,-12.73,;28.55,-11.92,;29.85,-12.74,;28.55,-10.26,;27.25,-9.44,)|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:23:26.25.30:28,THB:24:25:28:32.23.31,24:23:26.25.30:28,31:23:26:30.29.28,31:29:26:32.24.23,22:23:26:30.29.28|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Br)cc2)cc1 |wD:6.5,9.12,(27.43,1.91,;26.1,2.68,;24.76,1.92,;23.43,2.69,;23.44,4.23,;22.11,5,;20.77,4.24,;20.77,2.7,;19.44,1.94,;18.11,2.7,;18.11,4.24,;19.44,5.02,;16.78,1.93,;15.45,2.7,;15.44,4.24,;14.11,1.92,;12.78,2.69,;12.78,4.23,;11.45,5,;10.12,4.23,;8.78,5,;10.12,2.68,;11.46,1.92,;24.77,5,;26.1,4.23,)|
COC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](CC2)Oc2ccc(F)cc2)cc1 |wD:15.18,12.11,(.43,-5.31,;1.76,-6.02,;3.04,-5.22,;2.98,-3.72,;4.36,-5.93,;5.67,-5.11,;7.03,-5.84,;7.08,-7.38,;8.44,-8.11,;9.74,-7.28,;9.73,-5.64,;11.04,-8.11,;12.34,-7.28,;13.64,-8.1,;14.94,-7.28,;14.94,-5.64,;13.64,-4.81,;12.34,-5.64,;16.24,-4.82,;17.54,-5.65,;17.53,-7.29,;18.83,-8.12,;20.14,-7.3,;21.44,-8.13,;20.13,-5.65,;18.84,-4.83,;5.78,-8.2,;4.42,-7.48,)|
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CC[C@H](CC1)Oc1ccc(F)cc1 |wD:19.23,16.16,(-1.55,-5.83,;-.49,-4.76,;.97,-5.13,;-.89,-3.3,;-2.36,-2.86,;-2.8,-1.26,;-1.75,-.13,;-.28,-.58,;.35,.79,;1.85,.92,;-.51,2.02,;.14,-2.17,;1.62,-2.63,;2.92,-1.8,;2.92,-.16,;4.23,-2.63,;5.53,-1.79,;6.83,-2.62,;8.13,-1.79,;8.13,-.15,;6.83,.68,;5.53,-.15,;9.43,.67,;10.73,-.16,;10.73,-1.8,;12.03,-2.64,;13.34,-1.82,;14.64,-2.64,;13.33,-.16,;12.03,.66,)|
OC(=O)c1ccc(CSc2nc3cc(F)c(cc3[nH]2)-c2ncn[nH]2)cc1
COc1cc(ccc1Cn1ccc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc12)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2ccn(Cc3ccc(cc3)C(O)=O)c2c1
OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
CC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
CCCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCC#C |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCc1ccccc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
C=CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,27:28:31:35.34.33,THB:25:17:20:24.23.22,25:23:20:26.18.17,29:30:33:37.28.36,29:28:31.30.35:33,36:28:31:35.34.33,36:34:31:37.29.28,18:19:22:26.17.25,18:17:20.19.24:22|
CC(C)(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Clc1ccccc1COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
CC(C)COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
CCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCc1cccc2ccccc12 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CCC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
CCNC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
CS(=O)(=O)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
CC(C)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1ccccc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)C(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1 |r,TLB:8:6:12:2.1.11,8:1:12:6.9.5,5:3:6.9.8:11,THB:5:6:12.3.2:11|
CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1ccc3N(Cc4ccc(F)cc4)CCc3c1)C(=O)C2 |r|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4N(Cc5ccc(F)cc5)CCc4c1)(C2)C3 |r,TLB:11:10:2.1.8:5,8:1:34:6.9.5,8:6:34:2.1.33,THB:33:1:9.10.34:5,33:10:2.1.8:5|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)NC(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1 |r,TLB:13:10:5:2.8.1,THB:11:1:5:10.12.9,11:10:5:2.8.1,9:6:2:11.10.12,9:10:2:5.6.8|
Fc1ccc(CN2CCc3cc(NC(=O)NCc4cccc5ccccc45)ccc23)cc1
CN1CCCN(CCNC(=O)Nc2ccc3N(Cc4ccc(F)cc4)CCc3c2)CC1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=S)Nc1ccc4N(Cc5ccc(F)cc5)CCc4c1)(C2)C3 |r,TLB:5:3:33:6.9.8,THB:2:1:9:3.34.5,2:3:9:33.1.8,5:6:33:2.3.34|
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c1cc2c(cc1Br)c(cn2CC(=O)NC3CCCCCC3)C(=O)C(F)(F)F
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OCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,8:9:12:16.15.14|
CCOCCOCCOC1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(31.61,-36.54,;30.89,-37.9,;29.35,-37.96,;28.63,-39.32,;27.09,-39.37,;26.37,-40.73,;24.83,-40.79,;24.11,-42.15,;22.57,-42.21,;21.75,-40.9,;20.21,-40.95,;19.4,-39.66,;20.12,-38.3,;21.66,-38.23,;22.47,-39.54,;19.3,-37,;17.76,-37.06,;16.94,-35.76,;17.04,-38.43,;15.51,-38.49,;14.49,-39.76,;13.08,-39.2,;11.59,-39.62,;12.78,-38.35,;12.77,-36.86,;14.12,-36.38,;13.08,-37.61,;15.52,-36.96,;14.11,-38.83,)|
CCCOCCCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
O=C(NCCCCCOCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
CCCCCCOCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
OCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10,9:10:13:17.16.15|
CCCCC(C)OCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
CS(=O)(=O)NCCCCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
CCCCCOC1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(7.36,-39.04,;5.82,-39.1,;5.1,-40.46,;3.56,-40.52,;2.84,-41.88,;1.3,-41.93,;.48,-40.63,;-1.06,-40.68,;-1.87,-39.38,;-1.15,-38.03,;.39,-37.95,;1.21,-39.26,;-1.97,-36.73,;-3.51,-36.79,;-4.33,-35.49,;-4.22,-38.15,;-5.76,-38.21,;-6.78,-39.49,;-8.19,-38.93,;-9.68,-39.35,;-8.49,-38.07,;-8.5,-36.58,;-7.15,-36.11,;-8.19,-37.34,;-5.75,-36.69,;-7.16,-38.56,)|
OCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,7:8:11:15.14.13|
CCOCCOCCOCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
CCOCCOCCOCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
OCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16|
CCOCCOCCOc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
COCCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
O=C(Nc1ccc(OCCCN2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
CCCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
OCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
CCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
CCOCCOCCOc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:20:24.23.22,THB:25:17:20:24.23.22,25:23:20:26.18.17,18:19:22:26.17.25,18:17:20.19.24:22|
CS(=O)(=O)NCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
CCCOCCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
CCCC(C)COCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
O=C(NC1CCC(CC1)OCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(-6.35,-45.6,;-5.53,-46.9,;-3.99,-46.84,;-3.17,-48.14,;-3.89,-49.5,;-3.07,-50.79,;-1.53,-50.74,;-.81,-49.38,;-1.63,-48.07,;-.72,-52.05,;.82,-51.99,;1.54,-50.63,;3.08,-50.57,;3.8,-49.21,;5.34,-49.17,;6.06,-47.81,;5.25,-46.5,;3.71,-46.56,;2.98,-47.92,;-6.24,-48.27,;-7.78,-48.33,;-8.8,-49.6,;-10.2,-49.04,;-11.7,-49.46,;-10.51,-48.19,;-10.51,-46.7,;-9.17,-46.22,;-10.21,-47.45,;-7.77,-46.8,;-9.18,-48.67,)|
FC(F)(F)COCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26|
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)N4CCC[C@H](C(=O)NO)C4)cc1F)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)N4CCC[C@H](C(N)=O)C4)cc1F)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCCC(=O)NO)cc1F)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCCCC(=O)NO)cc1F)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCC(=O)NO)cc1F)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)N4CCC[C@H](C(=O)NCCC(=O)NO)C4)cc1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCC(=O)NO)cc1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCCC(=O)NO)cc1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NCCCCCCC(=O)NO)cc1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)N4CCC[C@H](C(=O)NCCC(=O)NO)C4)cc1F)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)N4CCC[C@H](C(=O)NCCC(=O)NO)C4)cc1F)(C3)C2
COC(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c(F)c2)C1
O=C(O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c(F)c2)C1
O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c(F)c2)C1)NO
COC(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)C1
O=C(O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)C1
O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)C1)NO
CC12CC3CC(C)(C1)CC(NC(=O)NC1CCN(C(=O)c4ccc(C(=O)NO)cc4)CC1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)NC1CCN(C(=O)c4ccc(C(=O)NCCCCC(=O)NO)cc4)CC1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)N[C@H]1CC[C@H](Oc4ccc(C(=O)NCCC(=O)NO)cc4)CC1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)NCCCCCC(=O)NO)cc1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)NCCCCCCC(=O)NO)cc1)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)NCCCCCC(=O)NO)cc1F)(C3)C2
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(S(=O)(=O)NCCCCCCC(=O)NO)cc1F)(C3)C2
CN(C)C(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1
CC(C)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1
CC(C)CCNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1
CN1CCN(C(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1
CCC(=O)N1CCN(C(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1
CN1CCC(NC(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1
CCC(=O)N1CCC(NC(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1
O=C(NCC1CCOCC1)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1
COc1cc(/C=C/c2ccc(NC(=O)N(C)C)cc2)cc(OC)c1
COc1cc(/C=C/c2ccc(NC(=O)NCC(C)C)cc2)cc(OC)c1
COc1cc(/C=C/c2ccc(NC(=O)NCC3CCN(C)CC3)cc2)cc(OC)c1
COc1cc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)cc(OC)c1
COc1ccc(/C=C/c2ccc(NC(=O)NCC(C)C)cc2)cc1O
CC(C)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1F
CC(C)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)c(F)c1
Cc1cc(NC(=O)NCC(C)C)ccc1/C=C/c1ccc2c(c1)OCO2
Cc1cc(/C=C/c2ccc3c(c2)OCO3)ccc1NC(=O)NCC(C)C
CC(C)CNC(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)c(Cl)c1
COc1cc(/C=C/c2ccc(CNC(=O)NCC(C)C)cc2)cc(OC)c1
CC(C)CNC(=O)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1
CC(C)CCNC(=O)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1
O=C(NCC1CCOCC1)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1
COc1cc(/C=C/c2cccc(NC(=O)NCC(C)C)c2)cc(OC)c1
COc1cc(/C=C/c2cccc(NC(=O)NCC3CCOCC3)c2)cc(OC)c1
O=C(NCC1CCOCC1)Nc1ccc(/C=C/c2cccc(NC(=O)c3ccccn3)c2)cc1
O=C(Cc1ccccn1)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1
O=C(Cc1cccnc1)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1
O=C(Cc1ccncc1)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1
O=C(Cc1ccc2ncccc2c1)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1
O=C(Cn1ccc2ccccc21)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1
O=C(Cn1c2ccccc2c2ccccc21)Nc1cccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)c1
O=C(Cc1ccccn1)Nc1ccc(/C=C/c2ccc(NC(=O)NCC3CCOCC3)cc2)cc1
O=C(NCC1CCOCC1)Nc1ccc(/C=C/c2cccc(C(=O)NCc3ccccn3)c2)cc1
O=C(Cc1ccccn1)Nc1cccc(NC(=O)c2ccc(NC(=O)NCC3CCOCC3)cc2)c1
CC(C)CNC(=O)Nc1ccc2nc(-c3ccc4c(c3)OCO4)[nH]c2c1
O=C(NCC1CCOCC1)Nc1ccc2nc(-c3ccc4c(c3)OCO4)[nH]c2c1
CC(C)CNC(=O)Nc1ccc2cc(-c3ccc4c(c3)OCO4)[nH]c2c1
O=C(NCC1CCOCC1)Nc1ccc2cc(-c3ccc4c(c3)OCO4)[nH]c2c1
CC(C)CNC(=O)Nc1ccc2ncc(-c3ccc4c(c3)OCO4)cc2c1
O=C(NCC1CCOCC1)Nc1ccc2ncc(-c3ccc4c(c3)OCO4)cc2c1
CC(C)CNC(=O)Nc1ccc2cc(-c3ccc4c(c3)OCO4)cnc2c1
O=C(NCC1CCOCC1)Nc1ccc2cc(-c3ccc4c(c3)OCO4)cnc2c1
CC(C)CNC(=O)Nc1ccc2c(c1)NCC(c1ccc3c(c1)OCO3)C2
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1
O=C(NCC1CCOCC1)Nc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)cnc2c1
O=C(NCC1CCOCC1)Nc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cnc2c1
CN(C)c1ccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)cc1
CN(C)c1cccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1
CN(C)Cc1ccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)cc1
CN1CCN(c2ccc(-c3cnc4cc(NC(=O)NCC5CCOCC5)ccc4c3)cc2)CC1
CC(=O)c1ccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)cc1
O=C(NCC1CCOCC1)Nc1ccc2cc(-c3cccc(C(=O)O)c3)cnc2c1
O=C(Cc1ccccn1)Nc1cccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1
O=C(Cc1cccnc1)Nc1cccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1
O=C(Cc1ccc(Cl)nc1)Nc1cccc(-c2cnc3cc(NC(=O)NCC4CCOCC4)ccc3c2)c1
O=C(NCC1CCOCC1)Nc1ccc2cc(-c3ccncc3)cnc2c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC(C)C)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NC[C@@H](C)O)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NC[C@H](C)O)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCCN(C)C)ccc3c2)c1
COC(=O)C(C)(C)CNC(=O)Nc1ccc2cc(-c3cc(OC)cc(OC)c3)cnc2c1
CCC(=O)NCCCCNC(=O)Nc1ccc2cc(-c3cc(OC)cc(OC)c3)cnc2c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NC[C@H]4CCCO4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NC[C@@H]4CCCO4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCCC4CCOCC4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NNC4CCOCC4)ccc3c2)c1
CCC(=O)N1CCC(NC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)CC1
CCC(=O)N1CCC(CCNC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)CC1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCN(C(=O)C(F)(F)F)CC4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCN(C(=O)C5CC5)CC4)ccc3c2)c1
CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)CC1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCN(C(=O)OCc5ccccc5)CC4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCN(C)CC4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCC4CCNCC4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)F)cc4)ccc3c2)c1
COc1ccc(CNC(=O)Nc2ccc3cc(-c4cc(OC)cc(OC)c4)cnc3c2)cc1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(S(N)(=O)=O)cc4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(S(C)(=O)=O)cc4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccc(C#N)cc4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccncc4)ccc3c2)c1
COc1cc(OC)cc(-c2cnc3cc(NC(=O)NCc4ccccn4)ccc3c2)c1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc5c(c4)OCO5)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(OC)c(OC)c4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4cccc(OC)c4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4cccc(OC(F)(F)F)c4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(OC(F)(F)F)cc4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(C#N)cc4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(CN(C)C)cc4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(C(C)=O)cc4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(S(N)(=O)=O)cc4)cnc3c2)CC1
CCC(=O)N1CCC(CNC(=O)Nc2ccc3cc(-c4ccc(S(C)(=O)=O)cc4)cnc3c2)CC1
O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1ccc2cc(-c3ccc4c(c3)OCO4)cnc2c1
COc1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)cc1OC
COc1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)c(OC)c1
COc1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)cc1
COc1cccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)c1
Cc1cccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)c1
O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cnc2c1
NS(=O)(=O)c1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)cc1
CS(=O)(=O)c1ccc(-c2cnc3cc(NC(=O)NCc4ccc(OC(F)(F)F)cc4)ccc3c2)cc1
O=C(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
O=C(NC1CCCCC1)Nc1cccc(OCCCN2CCOCC2)c1
FC(F)(F)c1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1
FC(F)(F)Oc1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1
O=C(Nc1cccc(OCCCN2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 |TLB:1:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,1:19:22:26.25.24|
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
O=C(Nc1cccc(OCCCN2CCOCC2)c1)C1CCCCC1
O=C(CC1CCCCC1)Nc1cccc(OCCCN2CCOCC2)c1
FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc(OCCCN2CCOCC2)c1
FC(F)(F)c1ccc(CC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1
FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1cccc(OCCCN2CCOCC2)c1
S=C(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
O=S(=O)(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
O=C(CNC12CC3CC(CC(C3)C1)C2)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:7:8:6.5.11:12,THB:7:6:8.13.9:12,9:8:5:11.10.12,9:10:7.8.13:5|
OC(C(=O)Nc1cccc(OCCCN2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 |TLB:1:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,1:21:24:28.27.26|
OC(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:2:3:6:10.9.8,THB:4:3:6.5.10:8,4:5:8:3.12.11,11:3:6:10.9.8,11:9:6:3.12.4|
OC(CCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:3:4:7.6.11:9,THB:3:4:7:11.10.9,5:4:7.6.11:9,5:6:9:4.13.12,12:4:7:11.10.9,12:10:7:4.13.5|
O=C(Nc1cccc(OCCCN2CCOCC2)c1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:21:24.23.28:26,THB:22:21:24.23.28:26,22:23:26:21.30.29,29:21:24:28.27.26,29:27:24:21.30.22,19:21:24:28.27.26|
O=C(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
O=C(CCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:7:8:6.5.11:12,THB:7:6:8.13.9:12,9:8:5:11.10.12,9:10:7.8.13:5|
OC(C(=O)Nc1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:19:22.21.26:24,THB:1:19:22:26.25.24,20:19:22.21.26:24,20:21:24:19.28.27,27:19:22:26.25.24,27:25:22:19.28.20|
OC(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(OCc2ccccc2)cc1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
OC(CC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 |TLB:6:7:5.4.10:11,THB:6:5:7.12.8:11,8:7:4:10.9.11,8:9:6.7.12:4|
OC(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 |TLB:3:4:7.6.11:9,THB:3:4:7:11.10.9,5:6:9:13.4.12,5:4:7.6.11:9,12:4:7:11.10.9,12:10:7:13.5.4|
O=C(Nc1ccc(OCc2ccccc2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:17:19:22.21.26:24,THB:17:19:22:26.25.24,20:19:22.21.26:24,20:21:24:19.28.27,27:19:22:26.25.24,27:25:22:19.28.20|
O=C(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(OCc2ccccc2)cc1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
O=C(CC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 |TLB:6:7:5.4.10:11,THB:6:5:7.12.8:11,8:7:4:10.9.11,8:9:6.7.12:4|
O=C(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 |TLB:3:4:7.6.11:9,THB:3:4:7:11.10.9,5:6:9:13.4.12,5:4:7.6.11:9,12:4:7:11.10.9,12:10:7:13.5.4|
O=C(NCCc1ccc(OCc2ccccc2)cc1)NCCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27|
O=C(Nc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Oc1ccccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Oc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
COc1ccccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
COc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
CC(=O)Oc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
O=C(Nc1cccc(OC(=O)c2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
CC(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
O=C(Nc1ccc(OC(=O)c2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
COC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
OC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
OC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
O=C(Nc1cccc(c1)C(=O)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(Nc1cccc(c1)C(=O)N1CCC(CC1)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.30.29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
CN1CCN(CC1)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
OC(=O)Cc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
COC(=O)Cc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
OC(=O)CCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
COC(=O)CCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
OC(=O)CCCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
COC(=O)CCCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:14:15:18:22.21.20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|
OC(=O)c1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1O |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
COC(=O)c1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1O |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
OC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O |TLB:19:14:21:18.17.20,THB:13:14:17:21.20.12|
Clc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Br)c(Cl)c1
[O-][N+](=O)c1cc(F)ccc1S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Cc1cc(c(C)cc1Cl)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
COc1cc(C)c(c(C)c1C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
CC(C)(C)c1cc(c(c(c1)C(C)(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl)C(C)(C)C
Clc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
COc1cc(OC(=O)N2CCC(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c(cc1OC)[N+]([O-])=O
CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccc2ccccc12
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1Cc2ccccc2C1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1cccc(Cl)c1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc2ccccc12
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCC1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cc(Cl)ccc1Cl
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1F
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cc(ccc1Cl)C(F)(F)F
CC(NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(Cl)cc1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1Cl
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1c(F)cccc1Cl
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1c(C)cc(Cl)cc1Cl
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)c(Cl)c1
CC1CCCCC1NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C
Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NN1CCCCC1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NNc1ccccc1Cl
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccccc1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCc2ccccc12
CC1CCC(CC1)NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C |(9.91,-45.44,;11.25,-44.69,;12.58,-45.48,;13.93,-44.73,;13.94,-43.19,;12.61,-42.41,;11.28,-43.15,;15.28,-42.44,;16.6,-43.23,;16.58,-44.77,;17.95,-42.48,;17.97,-40.93,;19.31,-40.18,;20.64,-40.97,;20.63,-42.51,;19.27,-43.27,;21.98,-40.21,;22.74,-41.55,;21.22,-38.87,;23.31,-39.44,;24.65,-40.21,;24.65,-41.75,;25.99,-39.44,;25.98,-37.89,;27.31,-37.12,;24.65,-37.13,;23.32,-37.9,;21.98,-37.13,)|
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCCC1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCC1
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r|
Fc1ccc2OC3(CCN(CC3)C(=O)CCc3ccccc3)CCc2c1
Cn1nccc1Nc1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
Cn1nccc1-c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)Cc3ccc(Cl)cc3Cl)CCc2c1
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)CCc2c1
FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CC1)CCc1ccccc1O2
c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4
OC1CC2(CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)Oc2cccnc12 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ncccc1O2 |r|
Fc1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCc2c1)CCCN(CC3)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(NC1CCc2ccccc12)N1CCC2(CC1)CC(=O)c1ccccc1O2
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@@H]3CC[C@H](C3)c3ccccc3)CC(=O)c2c1 |r|
O=C(NC1CCc2ccccc2CC1)N1CCC2(CC1)CC(=O)c1ccccc1O2
O=C(NC1CCc2ccccc2C1)N1CCC2(CC1)CC(=O)c1ccccc1O2
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r|
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
CCCCCN(C)C(=O)NCCCC\C=C/CCCCCCC(O)=O
CCCCCN(C)C(=O)N(C)CCCC\C=C/CCCCCCC(O)=O
CCCCCNC(=S)NCCCC\C=C/CCCCCCC(O)=O
CCCCCOC(=O)NCCCC\C=C/CCCCCCC(O)=O
CCCCCNC(=O)OCCCC\C=C/CCCCCCC(O)=O
CCCCCNC(=O)NCCCC\C=C\CCCCCCC(O)=O
CCCCCNC(=O)NCCCCC#CCCCCCCC(O)=O
CCCCCNC(=O)NCCCCCCC\C=C/CCCC(O)=O
CCCCCN(C)C(=O)N(C)CCCCCCCC#CCCCC(O)=O
CCCCCCNC(=O)NCCC\C=C/CCCCCCC(O)=O
CCCCNC(=O)NCCCCC\C=C/CCCCCCC(=O)OC
CCNC(=O)NCCCC\C=C/CCCCCCCCCC(O)=O
CCCCCNC(=O)NOCCC\C=C/CCCCCCC(O)=O
CCCCNC(=O)C(=O)NCCCC\C=C/CCCCCCC(O)=O
CCCCN(C)C(=O)C(=O)N(C)CCCC\C=C/CCCCCCC(O)=O
CCCCCCC(=O)NCCCC\C=C/CCCCCCC(O)=O
CCCCCCC(=O)N(C)CCCC\C=C/CCCCCCC(O)=O
CCCCCCC(=O)N(CCCC\C=C/CCCCCCC(O)=O)C(C)C
CCCCCCC(=O)NCCCCCCCC#CCCCC(O)=O
CCCCCCNC(=O)CCCC\C=C/CCCCCCC(O)=O
CCCCCCN(C)C(=O)CCCC\C=C/CCCCCCC(O)=O
CCCCCc1cn(CCCC\C=C/CCCCCCC([O-])=O)nn1
CCCCCc1ccc(CCCC\C=C/CCCCCCC(O)=O)o1
CCCCCC1CN=C(CCCC\C=C/CCCCCCC(=O)OC)O1 |t:7|
CCCCCNC(=O)NCCCC\C=C/CCC(O)=O
CCCCCNC(=O)NCCCCC#CCCC(O)=O
CCCCCNC(=O)NCCCC\C=C/CCCCCCC(O)=O
CCCCCNC(=O)N(C)CCCC\C=C/CCCCCCC(O)=O
CC(C)(C)NC(=O)Nc1cccc(OCCCN2CCOCC2)c1
O=C(Nc1ccccc1)Nc1cccc(OCCCN2CCOCC2)c1
Fc1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1
Fc1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1F
Fc1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c(F)c1
Fc1cc(F)c(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c(F)c1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c1
Clc1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1
Clc1cccc(Cl)c1NC(=O)Nc1cccc(OCCCN2CCOCC2)c1
O=C(Nc1ccc2OCOc2c1)Nc1cccc(OCCCN2CCOCC2)c1
CN(C)c1cccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c1
O=C(Nc1cccnc1)Nc1cccc(OCCCN2CCOCC2)c1
CC(C)(C)CC(=O)Nc1cccc(OCCCN2CCOCC2)c1
Fc1ccc(CC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1
Fc1ccc(CC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1F
FC(F)(F)Oc1ccc(CC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1
Clc1ccc(CC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1
O=C(Cc1cccnc1)Nc1cccc(OCCCN2CCOCC2)c1
O=C(Cc1ccc2OCOc2c1)Nc1cccc(OCCCN2CCOCC2)c1
Fc1ccc(NC(=O)NC2CCCCC2)cc1OCCCN1CCOCC1
Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCCCN1CCOCC1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Fc1ccc(NC(=O)Nc2ccccc2)cc1OCCCN1CCOCC1
Fc1ccc(NC(=O)Nc2ccc(F)c(OCCCN3CCOCC3)c2)cc1
Fc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1OCCCN1CCOCC1
Fc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OCCCN1CCOCC1
Fc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1OCCCN1CCOCC1
Fc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1OCCCN1CCOCC1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Fc1ccc(NC(=O)Cc2ccc(cc2)C(F)(F)F)cc1OCCCN1CCOCC1
Fc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1OCCCN1CCOCC1
O=C(NC1CCCC(C1)OCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCCC(C1)OCCCN1CCOCC1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
O=C(NC1CCCCC1)Nc1ccc(OCCCN2CCOCC2)cc1
O=C(Nc1ccccc1)Nc1ccc(OCCCN2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1
FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1
Clc1ccc(NC(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCCCN2CCOCC2)cc1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
O=C(Cc1ccccc1)Nc1ccc(OCCCN2CCOCC2)cc1
FC(F)(F)c1ccc(CC(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1
FC(F)(F)Oc1ccc(CC(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1
Clc1ccc(CC(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1
O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
O=C(NCCC(c1ccccc1)c1ccccc1)c1ccncc1
Fc1ccc(cc1)C(CCNC(=O)c1cccnc1)c1ccc(F)cc1
CS(=O)(=O)c1ccc(cc1)C(CCNC(=O)c1cccnc1)c1ccc(F)cc1
CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F
CS(=O)(=O)c1ccc(cc1)C(CCNC(=O)c1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1
Fc1ccc(cc1)C(CCNC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1
CS(=O)(=O)c1ccc(cc1)[C@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1 |r|
CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1 |r|
O=C(CCC(c1ccccc1)c1ccccc1)Nc1cccnc1
O=C(NCCCC(c1ccccc1)c1ccccc1)c1cccnc1
O=C(Cc1cccnc1)NCCC(c1ccccc1)c1ccccc1
O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccn1
O=C(NCCCc1ccccc1)c1cccnc1
O=C(NCC(c1ccccc1)c1ccccc1)c1cccnc1
O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
CS(=O)(=O)c1ccc(cc1)C(CCNC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1
c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3
Fc1ccc(cc1)C(CCNC(=O)c1ccnc(OCC(F)(F)F)c1)c1ccc(F)cc1
Fc1ccc(cc1)C(CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
CS(=O)(=O)c1ccc(cc1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1
CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(O)cc1)c1ccc(F)cc1 |r|
CS(=O)(=O)c1ccc(cc1)[C@H](CCNC(=O)c1ccc(O)cc1)c1ccc(F)cc1 |r|
N(c1noc2ccccc12)c1cccc(c1)-c1ccccc1
N(c1noc2ccccc12)c1ccc2ccccc2c1
N(c1noc2ccccc12)c1cccc2ccccc12
FC(F)(F)c1ccc(Nc2noc3c(cccc23)C(F)(F)F)cc1
FC(F)(F)c1ccc(Nc2noc3cc(ccc23)C(F)(F)F)cc1
FC(F)(F)c1ccc(Nc2noc3ccc(cc23)C(F)(F)F)cc1
FC(F)(F)c1ccc(Nc2noc3cc(ccc23)-c2ccccc2C(F)(F)F)cc1
FC(F)(F)c1ccc(Nc2noc3cc(ccc23)-c2cccc3cnccc23)cc1
FC(F)(F)c1ccc(Nc2noc3cc(ccc23)-c2ccc3[nH]ccc3c2)cc1
FC(F)(F)c1ccc(Nc2noc3c(cccc23)C(F)(F)F)nc1
FC(F)(F)c1ccc(Nc2noc3c(cccc23)C(F)(F)F)cn1
FC(F)(F)c1ccc(Nc2noc3cc(ccc23)-c2cccc(c2)C(F)(F)F)cc1
Fc1ccccc1-c1ccc2c(Nc3ccc(cc3)C(F)(F)F)noc2c1
FC(F)(F)c1ccc(Nc2noc3cc(ccc23)-c2cccnc2)cc1
FC(F)(F)c1ccc(Nc2noc3cc(ccc23)-c2ccncc2)cc1
Cc1cccnc1-c1ccc2c(Nc3ccc(cc3)C(F)(F)F)noc2c1
FC(F)(F)c1ccc(Nc2noc3c(cccc23)-c2ccccc2C(F)(F)F)cc1
FC(F)(F)c1ccc(Nc2noc3c(cccc23)-c2cccc(c2)C(F)(F)F)cc1
FC(F)(F)c1ccc(Nc2noc3c(cccc23)-c2ccc3[nH]ccc3c2)cc1
FC(F)(F)c1ccc(Nc2noc3c(nccc23)C(F)(F)F)cc1
FC(F)(F)c1ccc(Nc2noc3ccccc23)cc1
FC(F)(F)Oc1ccc(Nc2noc3ccccc23)cc1
FC(F)(F)Oc1cccc(Nc2noc3ccccc23)c1
N(c1noc2ccccc12)c1ccc(cc1)-c1ccccc1
FC(F)(F)c1ccc(Nc2cc(on2)-c2ccccc2)cc1
FC(F)(F)c1ccc(CNc2cc(on2)-c2ccccc2)cc1
C(Nc1ccc(cn1)-c1ccccc1)c1ccccc1
C(Nc1cc(ccn1)-c1ccccc1)c1ccccc1
C(Nc1cnc(cn1)-c1ccccc1)c1ccccc1
FC(F)(F)c1cccc(CNc2cc(ncn2)-c2ccccc2)c1
C(Nc1nnc(o1)-c1ccccc1)c1ccccc1
C(Nc1nnc(Cc2ccccc2)o1)c1ccccc1
C(c1nnc(Nc2ccccc2)o1)c1ccccc1
FC(F)(F)c1nnc(Nc2ccccc2)o1
FC(F)(F)c1ccc(Nc2nsc3ccccc23)cc1
FC(F)(F)c1ccc(Nc2n[nH]c3ccccc23)cc1
FC(F)(F)c1ccc(CNc2noc3ccccc23)cc1
C(Nc1nc2ccccc2s1)c1ccccc1
C(Nc1nc2ccccc2o1)c1ccccc1
C(Nc1cnc2ccccc2n1)c1ccccc1
FC(F)(F)c1ccc(Nc2noc3ncccc23)cc1
FC(F)(F)c1ccc(Nc2noc3cnccc23)cc1
FC(F)(F)c1ccc(Nc2noc3ccncc23)cc1
FC(F)(F)c1ccc(Nc2noc3cccnc23)cc1
FC(F)(F)c1ccccc1Nc1noc2ccccc12
FC(F)(F)Oc1ccccc1Nc1noc2ccccc12
FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(cc1Cl)-n1cnnn1
CS(=O)(=O)c1ccc(cc1)-c1ccc(CNC(=O)c2ccc(OCCC(F)(F)F)nc2)cc1
FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F
FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(cc1Cl)C#N
FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccccc1OC(F)(F)F
CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(Cl)c1
CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(OCCC(F)(F)F)nc1
CS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCCC(F)(F)F)nc2)cc1
CS(=O)(=O)c1cc(Cl)ccc1CNC(=O)c1ccc(OCCC(F)(F)F)nc1
CS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(Cl)c1
FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccccc1
FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(Cl)cc1
FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccccc1Cl
FC(F)(F)COc1ccc(cn1)C(=O)NCCC(c1ccccc1)c1ccccc1
FC(F)(F)COc1ccc(cn1)C(=O)NCc1ccc(Cl)cc1Cl
CCOCCn1cc(ccc1=O)C(=O)NCCC(c1ccccc1)c1ccccc1
CCOCCn1cc(ccc1=O)C(=O)NCc1ccc(Cl)cc1Cl
O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(CCN2CCCC2)nc1
Clc1ccc(CNC(=O)c2ccc(CCN3CCCC3)nc2)c(Cl)c1
Nc1ccc(cn1)C(=O)NCCC(c1ccccc1)c1ccccc1
Nc1ccc(cn1)C(=O)NCc1ccc(Cl)cc1Cl
O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(=O)[nH]c1
Clc1ccc(CNC(=O)c2ccc(=O)[nH]c2)c(Cl)c1
Clc1ccc(CNC(=O)N2CCC(CC2)C(=O)NC2CCOCC2)c(Cl)c1
FC(F)(F)Oc1ccc(NC(=O)N2CCC(CC2)n2cccc2)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCCCC2)cc1
OCC1CCN(CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1
OCC1CCCN(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
OCC1CCCCN1C(=O)Nc1ccc(OC(F)(F)F)cc1
CC1CCN(CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1
CC1CCCN(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
CC1CCCCN1C(=O)Nc1ccc(OC(F)(F)F)cc1
OC(=O)C1CCN(CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCC(CC2)N2CCCCC2)cc1
OCC1CCCN(C1)C(=O)NCc1ccccc1
Cc1ccccc1CNC(=O)N1CCCC(CO)C1
Cc1cccc(CNC(=O)N2CCCC(CO)C2)c1
Cc1ccc(CNC(=O)N2CCCC(CO)C2)cc1
CC(NC(=O)N1CCCC(CO)C1)c1ccccc1
OCC1CCCN(C1)C(=O)NCc1ccc(Cl)cc1Cl
OCC1CCCN(C1)C(=O)NCc1ccc(Cl)c(Cl)c1
OCC1CCCN(C1)C(=O)N=CCc1ccc(Cl)cc1Cl |w:10.10|
OC(=O)C1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
NC(=O)C1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Clc1ccc(CNC(=O)N2CCC(CC2)C(=O)NCCC2CCOCC2)c(Cl)c1
Clc1ccc(CNC(=O)N2CCC(CC2)C(=O)NCCN2CCCC2)c(Cl)c1
COCCNC(=O)C1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
CS(=O)(=O)CCNC(=O)C1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Clc1ccc(CNC(=O)N2CCN(CC2)c2ccccn2)c(Cl)c1
OC1(CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
FC(F)(F)Oc1ccc(cc1)C1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Clc1ccc(CNC(=O)N2CCC(Cc3ccccn3)CC2)c(Cl)c1
OC1(Cc2ccccc2)CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Clc1ccc(CNC(=O)N2CCC(CC2)Nc2ncccn2)c(Cl)c1
Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccccc2)c(Cl)c1
c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl
Fc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Fc1ccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
Clc1ccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
FC(F)(F)Oc1ccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccccc2C#N)c(Cl)c1
Clc1ccc(CNC(=O)N2CCC(CC2)Oc2cccc(c2)C#N)c(Cl)c1
Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccc(cc2)C#N)c(Cl)c1
CS(=O)(=O)c1ccccc1OC1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
CS(=O)(=O)c1cccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1
CS(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
CNC(=O)c1ccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
CNS(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
OC(=O)c1ccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
CC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CC1(CCCN(C1)C(=O)Nc1noc2ccccc12)c1ccccc1
CC1(CCCN(C1)C(=O)Nc1ccncc1)c1ccccc1
CC1(CCCN(C1)C(=O)Nc1ccc(cc1)-c1ccccc1)c1ccccc1
OCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OCCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccccc1C(F)(F)F)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1cccc(Cl)c1)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccccn1)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccc2[nH]ccc2c1)c1ccccc1
CC1(CCCN(C1)C(=O)NCCc1ccc(Cl)cc1)c1ccccc1
CC1(CCCN(C1)C(=O)NCCCc1cccnc1)c1ccccc1
NC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CN(C)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Clc1ccc(NC(=O)N2CCCC(CCC3NN=NN3)(C2)c2ccccc2)cc1 |c:17|
Clc1ccc(NC(=O)N2CCCC(CCC(=O)NC3=NNNN3)(C2)c2ccccc2)cc1 |t:18|
CNC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CCN(CC)C(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Clc1ccc(NC(=O)N2CCCC(CCC(=O)N3CCOCC3)(C2)c2ccccc2)cc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccncc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1cccnc1
CC1(CCCN(C1)C(=O)NCCc1ccc2nc[nH]c2c1)c1ccccc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccn1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(cc1)-c1ccccc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1cccc(c1)C(F)(F)F
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
CC1(CCCN(C1)C(=O)NCCc1ccc2nccnc2c1)c1ccccc1
CC1(CCCN(C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|
OC(=O)CC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
COC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Clc1ccc(NC(=O)N2CCCC(CCC#N)(C2)c2ccccc2)cc1
CC(C)N1CCN(CC1)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCN2CCCC2)cc1
O=C(Nc1ccc(cc1)C1CCCCC1)Nc1cccc(c1)C(=O)NCCN1CCOCC1
O=C(Nc1cccc(c1)C(=O)NCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:23.22.28:29,THB:26:25:22:28.27.29,26:27:24.25.30:22,24:23:25.30.26:29|
O=C(Nc1ccccc1)Nc1cccc(c1)C(=O)NCCN1CCOCC1
Clc1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCN2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCN2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccnc2)cc1
Clc1ccc(NC(=O)Nc2cccc(c2)C(=O)N2CCC(CC2)N2CCOCC2)cc1
Clc1ccc(NC(=O)Nc2cccc(c2)C(=O)N2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)C(=O)N2CCOCC2)cc1
COCCNC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
CN1CCN(CC1)C(=O)c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1F
Fc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C(=O)NCCN1CCCC1
Fc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C(=O)NCCN1CCOCC1
Fc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1C(=O)NCCN1CCOCC1
Fc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1C(=O)N1CCOCC1
OC(=O)CNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:18:19:17.16.22:23,THB:18:17:19.24.20:23,20:19:16:22.21.23,20:21:18.19.24:16|
CN(CC(O)=O)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:19:20:18.17.23:24,THB:19:18:20.25.21:24,21:20:17:23.22.24,21:22:19.20.25:17|
OC(=O)CCCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
OC(=O)COCCNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:22:19:25.24.26,23:24:21.22.27:19|
OC(=O)c1ccc(cc1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCCC2)cc1
O=C(Nc1ccc(cc1)C1CCCCC1)Nc1ccc(cc1)C(=O)NCCN1CCOCC1
O=C(Nc1ccc(cc1)C(=O)NCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22|
O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NCCN1CCOCC1
Fc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1
Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1
FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)Nc2cccnc2)cc1
Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCOCC2)cc1
O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)N1CCOCC1
Fc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCC(=O)N2CCOCC2)cc1
COCCNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:14:15:18:22.21.20,THB:23:15:18:22.21.20,23:21:18:24.16.15,16:17:20:24.15.23,16:15:18.17.22:20|
CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1F
Fc1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1C(=O)NCCN1CCCC1
Fc1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1C(=O)NCCN1CCOCC1
Fc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1C(=O)N1CCOCC1
Fc1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1C(=O)N1CCOCC1
CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)NCCN2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
O=C(Nc1ccccc1)Nc1ccc(cc1)S(=O)(=O)CCCN1CCOCC1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)cc1
CC(C)N1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)NCCN2CCOCC2)cc1
FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
O=C(Nc1ccccc1)Nc1cccc(c1)S(=O)(=O)CCCN1CCOCC1
FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)CCCN2CCOCC2)cc1
OC(=O)CNC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:19:20:18.17.23:24,THB:19:18:20.25.21:24,21:20:17:23.22.24,21:22:19.20.25:17|
CN(CC(O)=O)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:20:21:19.18.24:25,THB:20:19:21.26.22:25,22:21:18:24.23.25,22:23:20.21.26:18|
OC(=O)CCCNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
OC(=O)COCCNC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
OC(=O)c1ccc(cc1)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
CN1CCN(CC1)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccncc2)c(Cl)c1
FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(C1)c1ccncc1
FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ncccn1
Fc1ccc(cc1)C(CCNC(=O)N1CCC(CC1)Oc1cnccn1)c1ccc(F)cc1
Fc1ccc(cc1)C(CCNC(=O)N1CCC(C1)c1cnccn1)c1ccc(F)cc1
FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ccncc1
CCc1cc(nn1-c1ccc(NC(=O)c2cccnc2)cc1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2cccnc2)cc1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccncc2)cc1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)cc1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1ccc(cc1)C(=O)Nc1ccncc1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1ccc(CNC(=O)c2ccncc2)cc1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)nc1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)cn1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)nn1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1cnc(NC(=O)c2ccccc2)cn1)-c1cccnc1
FC(F)(F)c1cc(nn1-c1cnc(NC(=O)c2ccccc2)nc1)-c1cccnc1
CC(C)(C)OC(=O)N1CCN(CCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:22:23:26:30.28.29,31:29:26:32.23.24,31:23:26:30.28.29,28:27:24:30.29.31,28:29:26.27.32:24|
CC(C)(C)OC(=O)N1CCN(CCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30,23:24:27:31.29.30|
CC(C)(C)OC(=O)N1CCN(CCCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:25:26:29:33.31.32,34:32:29:35.26.27,34:26:29:33.31.32,31:30:27:33.32.34,31:32:29.30.35:27|
CC(=O)N1CCN(CCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:18:19:22:26.24.25,27:25:22:28.19.20,27:19:22:26.24.25,24:23:20:26.25.27,24:25:22.23.28:20|
CC(=O)N1CCN(CCCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:21:22:25:29.27.28,30:28:25:31.22.23,30:22:25:29.27.28,27:26:23:29.28.30,27:28:25.26.31:23|
FC(F)(F)C(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:23:24:27:31.29.30,32:30:27:33.24.25,32:24:27:31.29.30,29:28:25:31.30.32,29:30:27.28.33:25|
ClCC(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:21:22:25:29.27.28,30:28:25:31.22.23,30:22:25:29.27.28,27:26:23:29.28.30,27:28:25.26.31:23|
CS(=O)(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:21:22:25:29.27.28,30:28:25:31.22.23,30:22:25:29.27.28,27:26:23:29.28.30,27:28:25.26.31:23|
COc1cc(cc(OC)c1OC)C(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:31:32:35:39.37.38,40:38:35:41.32.33,40:32:35:39.37.38,37:36:33:39.38.40,37:38:35.36.41:33|
FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:29:30:33:37.35.36,38:36:33:39.30.31,38:30:33:37.35.36,35:34:31:37.36.38,35:36:33.34.39:31|
Cc1ccc(cc1)S(=O)(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:27:28:31:35.33.34,36:34:31:37.28.29,36:28:31:35.33.34,33:32:29:35.34.36,33:34:31.32.37:29|
CC(C)(C)OC(=O)N1CCN(CCCOc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:30:29:26:32.31.33,30:31:28.29.34:26,33:31:28:34.25.26,33:25:28:32.30.31,24:25:28:32.30.31|
CC(C)(C)OC(=O)N1CCN(CCCCOc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:31:30:27:33.32.34,31:32:29.30.35:27,25:26:29:33.31.32,34:32:29:35.26.27,34:26:29:33.31.32|
CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 |THB:28:27:24:30.29.31,28:29:26.27.32:24,22:23:26:30.28.29,31:29:26:32.23.24,31:23:26:30.28.29|
CC(C)(C)OC(=O)N1CCN(CCCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 |THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30,23:24:27:31.29.30|
O=C(Nc1ccc(OCCCCN2CCNCC2)cc1)NC12CC3CC(CC(C3)C1)C2 |THB:20:21:24:28.26.27,29:27:24:30.21.22,29:21:24:28.26.27,26:25:22:28.27.29,26:27:24.25.30:22|
CC(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27,20:21:24:28.26.27|
CN1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25,18:19:22:26.24.25|
O=C(Nc1cccc(OCCCCN2CCNCC2)c1)NC12CC3CC(CC(C3)C1)C2 |THB:20:21:24:28.26.27,29:27:24:30.21.22,29:21:24:28.26.27,26:25:22:28.27.29,26:27:24.25.30:22|
CC(=O)N1CCN(CCCCOc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28,21:22:25:29.27.28|
CN1CCN(CCCCOc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26,19:20:23:27.25.26|
O=C(Nc1ccccc1OCCCCN1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27,20:21:24:28.26.27|
CC(=O)N1CCN(CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 |THB:24:23:20:26.25.27,24:25:22.23.28:20,18:19:22:26.24.25,27:25:22:28.19.20,27:19:22:26.24.25|
CN1CCN(CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 |THB:16:17:20:24.22.23,25:23:20:26.17.18,25:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18|
O=C(Nc1ccc(OCCCN2CCNCC2)cc1)NC12CC3CC(CC(C3)C1)C2 |THB:28:26:23:29.20.21,28:20:23:27.25.26,19:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21|
CC(=O)N1CCN(CCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:25:24:21:27.26.28,25:26:23.24.29:21,19:20:23:27.25.26,28:26:23:29.20.21,28:20:23:27.25.26|
CN1CCN(CCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:17:18:21:25.23.24,26:24:21:27.18.19,26:18:21:25.23.24,23:22:19:25.24.26,23:24:21.22.27:19|
O=C(Nc1cccc(OCCCN2CCNCC2)c1)NC12CC3CC(CC(C3)C1)C2 |THB:28:26:23:29.20.21,28:20:23:27.25.26,19:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21|
CC(=O)N1CCN(CCCOc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27,20:21:24:28.26.27|
CN1CCN(CCCOc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25,18:19:22:26.24.25|
O=C(Nc1ccccc1OCCCN1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26,19:20:23:27.25.26|
CN1CCN(CCCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 |THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24,17:18:21:25.23.24|
CC(=O)N1CCN(CCCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 |THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26,19:20:23:27.25.26|
O=C(Nc1cccc(OCCCC(=O)N2CCNCC2)c1)NC12CC3CC(CC(C3)C1)C2 |THB:21:22:25:29.27.28,30:28:25:31.22.23,30:22:25:29.27.28,27:26:23:29.28.30,27:28:25.26.31:23|
CC(C)(C)OC(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:24:25:28:32.30.31,33:31:28:34.25.26,33:25:28:32.30.31,30:29:26:32.31.33,30:31:28.29.34:26|
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCOc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |THB:27:28:31:35.33.34,36:34:31:37.28.29,36:28:31:35.33.34,33:32:29:35.34.36,33:34:31.32.37:29|
CC(=O)N1CCN(CC1)C(=O)CCCOc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |THB:23:24:27:31.29.30,32:30:27:33.24.25,32:24:27:31.29.30,29:28:25:31.30.32,29:30:27.28.33:25|
O=C(Nc1cccc(OCCN2CCNCC2)c1)NC12CC3CC(CC(C3)C1)C2 |THB:18:19:22:26.24.25,27:25:22:28.19.20,27:19:22:26.24.25,24:23:20:26.25.27,24:25:22.23.28:20|
O=C(Nc1cccc(OCCCCCN2CCNCC2)c1)NC12CC3CC(CC(C3)C1)C2 |THB:21:22:25:29.27.28,30:28:25:31.22.23,30:22:25:29.27.28,27:26:23:29.28.30,27:28:25.26.31:23|
CN1CCN(CCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:16:17:20:24.22.23,25:23:20:26.17.18,25:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18|
CN1CCN(CCCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:19:20:23:27.25.26,28:26:23:29.20.21,28:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21|
CC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cccnc2)cc1
CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3
CC(=O)N1CCC(CC1)NC(=O)NC1CCC(C)(C)CC1
O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)c1ccccn1
CC(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F
CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CC(=O)N1CCC(CC1)NC(=O)NC1CCC(CC1)C(C)(C)C |(1.63,-5.6,;1.57,-7.14,;.21,-7.87,;2.88,-7.96,;4.25,-7.24,;5.55,-8.05,;5.49,-9.6,;4.14,-10.32,;2.83,-9.51,;6.8,-10.41,;6.75,-11.95,;5.39,-12.68,;8.07,-12.76,;8.05,-14.31,;6.71,-15.06,;6.69,-16.59,;8.02,-17.38,;9.36,-16.62,;9.38,-15.08,;8,-18.92,;6.66,-19.67,;9.32,-19.7,;7.98,-20.45,)|
CC(=O)N1CCC(CC1)NC(=O)NC1C2CCC1CC2
CC(=O)N1CCC(CC1)NC(=O)NC1CC2(C)CCC1CC2 |(19.45,7.01,;19.4,5.47,;18.03,4.74,;20.7,4.65,;22.06,5.37,;23.37,4.56,;23.3,3.02,;21.96,2.29,;20.65,3.11,;24.61,2.21,;24.57,.67,;23.21,-.06,;25.88,-.14,;25.86,-1.68,;26.33,-2.77,;26.12,-4.67,;26.14,-6.19,;27.5,-5.27,;27.19,-3.88,;25.83,-3.31,;24.39,-3.99,;24.61,-5.36,)|
CC(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(F)(CC(F)(C3)C1)C2 |TLB:16:17:23:22.15.14,18:17:23:22.15.14,18:17:20.22.23:14,21:20:17.16.24:14,THB:16:15:19.17.24:23,19:20:17.16.24:14,19:17:20.22.23:14|
CC(=O)N1CCC(CC1)NC(=O)NC12CC3(F)CC(F)(CC(F)(C3)C1)C2 |TLB:17:18:23.15.14:24,23:21:15.17.14:25,23:15:21.20.24:25,THB:17:15:24:20.18.25,16:15:24:20.18.25,16:15:21.20.24:25,22:21:15.17.14:25,19:18:23.15.14:24|
CC(=O)N1CCC(CC1)NC(=O)NC1CCC(F)(F)CC1
CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
CS(=O)(=O)c1ccc(cc1)-n1nc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1 |TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
CS(=O)(=O)c1ccc(cc1)-n1nc(CNC(=O)NC2CCCCCC2)cc1-c1ccccc1
CS(=O)(=O)c1ccc(cc1)-n1nc(CNC(=O)Nc2ccccc2)cc1-c1ccccc1
CS(=O)(=O)c1ccc(cc1)-n1nc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccccc1
CS(=O)(=O)c1ccc(cc1)-n1nc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)cc1-c1ccccc1
CS(=O)(=O)c1ccc(cc1)-n1nc(CNC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(CNC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccccc1
CC(C)(C)c1cc(CNC(=O)Nc2cccc(c2)C(F)(F)F)nn1-c1ccc(cc1)S(C)(=O)=O
NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(CCNC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccccc1
CS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccccc1
Cc1ccc(cc1)-c1cc(CCCNC(=O)Nc2cccc(c2)C(F)(F)F)nn1-c1ccc(cc1)S(N)(=O)=O
CC(C)c1cccc(C(C)C)c1NC(=O)NCCCc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)Nc2ccccc2)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1 |TLB:23:24:21.22.27:28,THB:23:22:28:29.24.25,25:24:21:27.26.28,25:26:21:29.23.24|
NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)NC2CCCCCC2)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)Nc2ccc(cc2)C(F)(F)F)cc1-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccccc1
O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|
CC(=O)C1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 |(30.1,-36.9,;28.77,-36.13,;28.77,-34.59,;27.43,-36.9,;27.43,-38.44,;26.1,-39.2,;24.77,-38.43,;24.76,-36.89,;26.1,-36.12,;23.44,-39.2,;22.1,-38.43,;22.1,-36.89,;20.77,-39.2,;19.44,-38.43,;18.1,-39.21,;16.76,-38.43,;16.77,-36.89,;15.43,-36.12,;14.1,-36.89,;12.77,-36.12,;14.1,-38.43,;12.76,-37.65,;18.1,-36.12,;19.43,-36.88,)|
c1ccc(cc1)NC(=O)Nc2ccccc2
CC(C)CCOc1ccc(NC(=O)Nc2ccc(OCCC(C)C)cc2)cc1
CCCOCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
CC(C)OCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
COCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
CCOCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
COc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:19:18:16:12.13.14,THB:19:13:10.18.17:16,14:13:10:17.15.16,14:15:10:12.19.13,9:10:16:12.13.14,(23.71,-37.59,;25.04,-36.81,;26.38,-37.58,;27.72,-36.81,;29.05,-37.58,;29.04,-39.13,;30.38,-39.9,;31.71,-39.13,;31.71,-37.59,;33.05,-39.9,;34.38,-39.13,;35.58,-37.84,;36.91,-38.33,;38.31,-37.99,;38.33,-36.45,;36.92,-35.87,;35.57,-36.35,;35.88,-37.11,;35.88,-38.71,;37.31,-39.27,;27.72,-39.9,;26.38,-39.13,)|
CN(C1C2CC3CC(C2)CC1C3)C(=O)N(C)c1ccc(F)c(F)c1F |TLB:1:2:4:8.7.6,THB:2:3:6:11.10.9,2:10:4.3.8:6,9:10:4:8.7.6,9:7:4:11.2.10,(12.2,-40.47,;12.2,-38.92,;10.99,-37.96,;9.52,-38.35,;8.57,-39.58,;8.77,-37.84,;7.88,-36.65,;8.67,-35.47,;8.57,-37.08,;10.14,-35.09,;11.04,-36.34,;10.13,-37.45,;13.54,-38.15,;13.54,-36.61,;14.87,-38.92,;14.87,-40.47,;16.21,-38.15,;16.2,-36.62,;17.53,-35.84,;18.87,-36.61,;20.21,-35.84,;18.87,-38.16,;20.21,-38.93,;17.54,-38.93,;17.54,-40.47,)|
CN(C(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(F)c(F)c1F |TLB:4:5:7:11.10.9,THB:5:6:9:14.13.12,5:13:7.6.11:9,12:13:7:11.10.9,12:10:7:14.5.13,(-1.21,-39.91,;-1.21,-38.36,;-2.55,-37.59,;-2.55,-36.05,;-3.88,-38.36,;-5.17,-37.51,;-6.6,-38.03,;-7.44,-39.34,;-7.4,-37.58,;-8.39,-36.48,;-7.71,-35.23,;-7.66,-36.85,;-6.27,-34.73,;-5.27,-35.89,;-6.08,-37.07,;.12,-37.59,;.12,-36.06,;1.45,-35.28,;2.79,-36.05,;4.13,-35.28,;2.79,-37.6,;4.13,-38.37,;1.46,-38.37,;1.45,-39.91,)|
Fc1ccc(NC(=O)OC2C3CC4CC(C3)CC2C4)c(F)c1F |TLB:8:9:11:15.14.13,THB:9:10:13:18.17.16,9:17:11.10.15:13,16:17:11:15.14.13,16:14:11:18.9.17,(36.71,-28.86,;35.38,-29.63,;34.03,-28.86,;32.7,-29.64,;32.71,-31.17,;31.38,-31.95,;30.04,-31.17,;30.04,-29.63,;28.7,-31.95,;27.44,-31.07,;25.99,-31.55,;25.13,-32.84,;25.21,-31.09,;24.24,-29.96,;24.96,-28.73,;24.96,-30.35,;26.4,-28.26,;27.38,-29.44,;26.54,-30.61,;34.04,-31.95,;34.04,-33.49,;35.38,-31.18,;36.71,-31.95,)|
Fc1ccc(NC(=S)NC2C3CC4CC(C3)CC2C4)c(F)c1F |TLB:8:9:11:15.14.13,THB:9:10:13:18.17.16,9:17:11.10.15:13,16:17:11:15.14.13,16:14:11:18.9.17,(21.24,-28.16,;19.9,-28.93,;18.56,-28.16,;17.23,-28.93,;17.23,-30.47,;15.9,-31.24,;14.56,-30.47,;14.56,-28.93,;13.23,-31.24,;12,-30.31,;10.54,-30.74,;9.62,-32,;9.78,-30.25,;8.85,-29.08,;9.61,-27.88,;9.56,-29.5,;11.07,-27.47,;12.01,-28.68,;11.12,-29.82,;18.57,-31.24,;18.56,-32.79,;19.9,-30.47,;21.24,-31.24,)|
Fc1c(NC(=O)NCc2cccc(Cl)c2)cccc1C(F)(F)F
CC(CCc1ccccc1)NC(=O)Nc1cccc(c1F)C(F)(F)F
Fc1c(NC(=O)NC2CCCCCCC2)cccc1C(F)(F)F
CCCCCCCNC(=O)Nc1cccc(c1F)C(F)(F)F
CC(CCc1ccccc1)NC(=O)Nc1ccc(C)c(Cl)c1
Cc1ccc(NC(=O)NCc2cccc(F)c2)cc1Cl
Cc1ccc(NC(=O)NC2CCCCCCC2)cc1Cl
CCCCCCCNC(=O)Nc1ccc(C)c(Cl)c1
Cc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
CCCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:19:17:13.14.15,THB:20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,10:11:17:13.14.15,(27.29,-48.43,;28.62,-49.2,;29.96,-48.43,;31.29,-49.2,;32.62,-48.43,;33.96,-49.2,;35.29,-48.43,;36.63,-49.2,;37.96,-48.42,;37.96,-46.88,;39.3,-49.19,;40.63,-48.42,;41.83,-47.14,;43.15,-47.63,;44.54,-47.29,;44.56,-45.76,;43.16,-45.18,;41.82,-45.66,;42.12,-46.42,;42.12,-48,;43.54,-48.56,)|
CCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:19:18:16:12.13.14,THB:19:13:10.18.17:16,14:13:10:17.15.16,14:15:10:12.19.13,9:10:16:12.13.14,(7.97,-49.69,;9.31,-48.92,;10.64,-49.69,;11.97,-48.92,;13.31,-49.69,;14.64,-48.92,;15.98,-49.69,;17.31,-48.91,;17.31,-47.37,;18.65,-49.68,;19.98,-48.91,;21.18,-47.63,;22.5,-48.12,;23.89,-47.78,;23.91,-46.25,;22.51,-45.67,;21.17,-46.15,;21.47,-46.91,;21.47,-48.49,;22.89,-49.05,)|
CCCCCNC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:18:17:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,(-8.24,-49.45,;-6.91,-50.22,;-5.57,-49.45,;-4.24,-50.22,;-2.9,-49.45,;-1.57,-50.21,;-.23,-49.44,;-.24,-47.9,;1.1,-50.21,;2.43,-49.44,;3.63,-48.16,;4.95,-48.65,;6.35,-48.31,;6.36,-46.78,;4.96,-46.2,;3.62,-46.68,;3.92,-47.43,;3.93,-49.02,;5.34,-49.58,)|
COc1cc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(cc1OC)C(O)=O
CCCNC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11,(5.95,-42.16,;7.28,-42.93,;8.62,-42.16,;9.95,-42.93,;11.28,-42.15,;11.28,-40.61,;12.62,-42.92,;13.95,-42.15,;15.15,-40.87,;16.47,-41.36,;17.86,-41.02,;17.88,-39.49,;16.48,-38.91,;15.14,-39.39,;15.44,-40.15,;15.45,-41.73,;16.86,-42.3,)|
CC(C)(C)NC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12,(-8.46,-43.64,;-7.13,-42.87,;-7.13,-41.32,;-8.47,-42.09,;-5.79,-43.63,;-4.46,-42.86,;-4.46,-41.32,;-3.12,-43.63,;-1.79,-42.86,;-.59,-41.58,;.73,-42.07,;2.12,-41.73,;2.14,-40.2,;.74,-39.62,;-.6,-40.1,;-.3,-40.85,;-.3,-42.44,;1.12,-43,)|
CC(C)NC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:16:15:13:10.9.11,THB:6:7:13:10.9.11,16:10:13:7.15.14,11:10:7:12.13.14,11:12:7:10.9.16,(-4.01,-2.75,;-2.89,-1.69,;-3.26,-.19,;-1.41,-2.12,;-.3,-1.06,;-.66,.44,;1.18,-1.49,;2.29,-.43,;3.66,.27,;3.66,1.67,;4.5,3.14,;5.88,2.44,;5.88,1.05,;5.04,-.43,;4.5,.35,;3.13,1.05,;3.13,2.44,)|
Cc1c(Cl)cccc1NC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,THB:11:12:18:14.15.16,21:15:12.20.19:18,16:15:12:19.17.18,16:17:12:14.21.15,(11.42,-36.57,;11.42,-35.03,;10.08,-34.26,;8.75,-35.03,;10.09,-32.71,;11.41,-31.94,;12.75,-32.71,;12.75,-34.26,;14.09,-35.02,;15.42,-34.25,;15.42,-32.71,;16.76,-35.02,;18.09,-34.25,;19.29,-32.97,;20.61,-33.46,;22,-33.12,;22.02,-31.59,;20.62,-31.01,;19.28,-31.49,;19.58,-32.24,;19.58,-33.83,;21,-34.39,)|
O=C(NCc1ccccc1)NC1C2CC3CC(C2)CC1C3 |TLB:20:19:17:13.14.15,THB:10:11:17:13.14.15,20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,(-.67,-32.55,;-.67,-34.09,;-2,-34.87,;-3.34,-34.1,;-4.67,-34.87,;-6.01,-34.1,;-7.34,-34.87,;-7.34,-36.42,;-6,-37.19,;-4.66,-36.42,;.67,-34.86,;2,-34.1,;3.19,-32.82,;4.52,-33.31,;5.91,-32.96,;5.93,-31.43,;4.53,-30.85,;3.19,-31.33,;3.49,-32.09,;3.49,-33.67,;4.91,-34.24,)|
CC(=O)c1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1 |TLB:21:20:18:14.15.16,THB:11:12:18:14.15.16,21:15:12.20.19:18,16:15:12:19.17.18,16:17:12:14.21.15,(25.6,-26.26,;26.93,-27.03,;26.93,-28.57,;28.27,-26.26,;28.27,-24.72,;29.6,-23.95,;30.93,-24.71,;30.94,-26.26,;32.27,-27.03,;33.61,-26.26,;33.6,-24.72,;34.94,-27.03,;36.27,-26.25,;37.47,-24.98,;38.79,-25.47,;40.19,-25.12,;40.21,-23.59,;38.8,-23.01,;37.46,-23.49,;37.76,-24.25,;37.77,-25.83,;39.18,-26.4,;29.6,-27.03,)|
O=C(NCCc1ccccc1)NC1C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,THB:11:12:18:14.15.16,21:15:12.20.19:18,16:15:12:19.17.18,16:17:12:14.21.15,(16.92,-24.93,;16.92,-26.47,;15.59,-27.25,;14.26,-26.48,;12.92,-27.25,;11.6,-26.49,;10.26,-27.26,;8.92,-26.49,;8.93,-24.94,;10.26,-24.17,;11.59,-24.94,;18.26,-27.24,;19.59,-26.47,;20.79,-25.19,;22.11,-25.68,;23.5,-25.34,;23.52,-23.81,;22.12,-23.23,;20.78,-23.71,;21.08,-24.47,;21.08,-26.05,;22.5,-26.62,)|
O=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C#N |TLB:12:11:9:5.6.7,THB:2:3:9:5.6.7,12:6:3.11.10:9,7:6:3:10.8.9,7:8:3:5.12.6,(-.96,-25.63,;-.96,-27.17,;.38,-27.94,;1.71,-27.17,;2.9,-25.89,;4.22,-26.38,;5.62,-26.04,;5.64,-24.51,;4.23,-23.93,;2.89,-24.41,;3.19,-25.16,;3.2,-26.75,;4.61,-27.31,;-2.29,-27.94,;-3.63,-27.17,;-4.96,-27.94,;-6.3,-27.17,;-6.29,-25.63,;-4.97,-24.86,;-3.63,-25.62,;-7.64,-24.85,;-8.97,-24.09,)|
Fc1ccc(NC(=O)NC2CCCC2)c(F)c1F
Fc1ccc(NC(=O)NC2CCCCC2)c(F)c1F
Fc1ccc(NC(=O)NC2CCCCCCC2)c(F)c1F
CC1(C)C2CC1C(CNC(=O)Nc1ccc(F)c(F)c1F)CC2
CC1C2CC(CC1NC(=O)Nc1ccc(F)c(F)c1F)C2(C)C
CCCCCCCNC(=O)Nc1ccc(F)c(F)c1F
Fc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c(F)c1F |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
Cc1cc(C)c(C(=O)N2CCC(CC2)C(=O)NC2CCCCCC2)c(C)c1
Cc1cc(C)c(CN2CCC(CC2)C(=O)NC2CCCCCC2)c(C)c1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)NC(=O)C1CCCCCC1
ClCCS(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
CC(C)CS(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
CC(C)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
O=C(NC1CCCCCC1)C1CCN(CC1)S(=O)(=O)C1CC1
O=C(NC1CCCCCC1)C1CCN(CC1)S(=O)(=O)C1CCCCC1
O=C(NC1CCCCCC1)C1CCN(CC1)S(=O)(=O)c1ccccc1
Brc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
O=C(NC1CCCCCC1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Brc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
O=C=Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
CC(=O)COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Fc1ccc(c(Br)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Fc1ccc(c(c1)C(F)(F)F)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1cc(F)ccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Fc1ccc(c(Cl)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
[O-][N+](=O)c1cc(F)ccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Brc1ccc(c(Br)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
FC(F)(F)c1ccc(c(Br)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
OC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1)[N+]([O-])=O
FC(F)(F)c1ccc(Br)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1cc(C)cc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
OC(=O)c1cc(c(F)cc1Cl)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
O=C(NC1CCCCCC1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
O=C(NC1CCCCCC1)C1CCN(CC1)S(=O)(=O)c1cccc2ccccc12
O=C(NC1CCCCCC1)C1CCN(CC1)S(=O)(=O)c1cccs1
Clc1cc(sc1Cl)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
OC(=O)c1csc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Clc1cc(c(Cl)s1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
COc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Fc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
O=C(NC1CCCCCC1)C1CCN(CC1)C(=O)c1ccccc1
Cc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Fc1ccccc1C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Cc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Fc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Clc1ccccc1C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
O=C(NC1CCCCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C#N
Brc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Clc1cccc(Cl)c1CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:13.17,10.10,TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(33.42,-46.78,;32.61,-45.47,;33.33,-44.12,;32.52,-42.81,;30.97,-42.86,;30.24,-44.22,;28.71,-44.28,;31.07,-45.52,;30.35,-46.88,;28.81,-46.94,;28.09,-48.3,;26.54,-48.36,;25.82,-49.72,;26.64,-51.01,;28.19,-50.96,;28.9,-49.6,;25.92,-52.38,;24.38,-52.44,;23.56,-51.14,;23.67,-53.8,;22.13,-53.86,;21.12,-55.14,;19.71,-54.58,;18.21,-55,;19.41,-53.72,;19.4,-52.23,;20.74,-51.76,;19.7,-52.99,;22.14,-52.34,;20.73,-54.21,)|
OC(=O)c1ccccc1O[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:13.17,10.10,TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(25.93,-36.65,;25.22,-38.01,;23.68,-38.07,;26.04,-39.31,;27.57,-39.25,;28.4,-40.56,;27.68,-41.92,;26.14,-41.98,;25.32,-40.67,;23.79,-40.73,;23.06,-42.09,;21.52,-42.15,;20.8,-43.51,;21.62,-44.8,;23.16,-44.75,;23.88,-43.39,;20.9,-46.17,;19.36,-46.23,;18.54,-44.93,;18.65,-47.59,;17.11,-47.65,;16.09,-48.93,;14.69,-48.37,;13.19,-48.79,;14.38,-47.51,;14.38,-46.02,;15.72,-45.55,;14.68,-46.78,;17.12,-46.13,;15.71,-48,)|
OC(=O)c1cccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |wU:12.15,9.8,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(7.2,-43.3,;7.92,-41.94,;9.46,-41.89,;7.1,-40.64,;7.82,-39.28,;7,-37.97,;5.46,-38.03,;4.75,-39.39,;3.21,-39.44,;2.49,-40.8,;.95,-40.86,;.22,-42.22,;1.04,-43.52,;2.59,-43.46,;3.3,-42.11,;.32,-44.88,;-1.22,-44.94,;-2.04,-43.64,;-1.93,-46.31,;-3.47,-46.37,;-4.48,-47.64,;-5.89,-47.08,;-7.39,-47.5,;-6.19,-46.23,;-6.2,-44.74,;-4.86,-44.26,;-5.9,-45.49,;-3.46,-44.84,;-4.87,-46.72,;5.56,-40.69,)|
Fc1cccc(F)c1CO[C@H]1CC[C@@H](CC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |wU:10.10,wD:13.17,TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(22.93,-9.7,;22.12,-8.39,;22.84,-7.03,;22.02,-5.72,;20.47,-5.78,;19.76,-7.14,;18.22,-7.2,;20.58,-8.44,;19.86,-9.8,;18.32,-9.86,;17.59,-11.22,;18.41,-12.52,;17.7,-13.88,;16.15,-13.93,;15.33,-12.63,;16.05,-11.28,;15.43,-15.29,;13.89,-15.36,;13.07,-14.05,;13.18,-16.72,;11.64,-16.78,;10.62,-18.06,;9.21,-17.5,;7.71,-17.92,;8.91,-16.64,;8.91,-15.15,;10.25,-14.68,;9.21,-15.91,;11.65,-15.25,;10.24,-17.13,)|
OC(=O)c1cccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 |wU:12.15,9.8,(29.99,.67,;30.71,2.03,;32.25,2.08,;29.89,3.33,;30.61,4.69,;29.79,6,;28.25,5.94,;27.54,4.58,;26,4.53,;25.28,3.17,;23.74,3.11,;23.01,1.74,;23.83,.45,;25.38,.5,;26.09,1.86,;23.12,-.91,;21.58,-.97,;20.75,.33,;20.86,-2.34,;19.32,-2.4,;18.51,-1.09,;16.97,-1.15,;16.25,-2.52,;14.71,-2.58,;13.89,-1.28,;13.11,.06,;12.57,-2.08,;15.21,-.49,;17.08,-3.83,;18.62,-3.76,;28.35,3.28,)|
O=C(N[C@H]1CC[C@@H](CC1)OCC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |wU:6.9,wD:3.2,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(-5.73,-20.09,;-4.9,-21.4,;-3.36,-21.34,;-2.65,-19.97,;-1.1,-19.92,;-.39,-18.56,;-1.2,-17.26,;-2.74,-17.31,;-3.47,-18.68,;-.48,-15.9,;1.06,-15.84,;1.78,-14.48,;3.32,-14.43,;4.04,-13.07,;3.23,-11.76,;1.69,-11.82,;.96,-13.18,;-5.62,-22.76,;-7.16,-22.82,;-8.17,-24.1,;-9.58,-23.54,;-11.08,-23.96,;-9.88,-22.68,;-9.89,-21.19,;-8.54,-20.72,;-9.59,-21.95,;-7.15,-21.29,;-8.56,-23.17,)|
Fc1cc(F)cc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |wU:11.14,8.7,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(4.84,-26.81,;4.03,-25.5,;4.75,-24.14,;3.92,-22.83,;4.64,-21.47,;2.39,-22.89,;1.67,-24.25,;.14,-24.31,;-.59,-25.67,;-2.13,-25.72,;-2.85,-27.09,;-2.03,-28.38,;-.49,-28.33,;.23,-26.97,;-2.75,-29.75,;-4.29,-29.81,;-5.11,-28.51,;-5,-31.17,;-6.54,-31.23,;-7.56,-32.51,;-8.96,-31.95,;-10.46,-32.37,;-9.27,-31.09,;-9.27,-29.6,;-7.93,-29.13,;-8.97,-30.36,;-6.53,-29.71,;-7.94,-31.58,;2.49,-25.56,)|
O[C@H]1CC[C@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wD:4.7,1.0,TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16,(27.11,6.8,;26.39,5.44,;24.85,5.38,;24.12,4.02,;24.94,2.73,;26.49,2.78,;27.21,4.14,;24.23,1.36,;22.69,1.3,;21.87,2.6,;21.97,-.06,;20.43,-.12,;19.42,-1.4,;18.01,-.84,;16.51,-1.26,;17.71,.02,;17.7,1.51,;19.05,1.98,;18.01,.75,;20.45,1.4,;19.04,-.47,)|
Cc1ccccc1CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:9.9,wD:12.16,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(3.94,-45.89,;3.12,-44.59,;3.84,-43.23,;3.03,-41.92,;1.49,-41.97,;.76,-43.34,;1.58,-44.64,;.86,-46,;-.68,-46.05,;-1.4,-47.41,;-.58,-48.72,;-1.3,-50.08,;-2.84,-50.13,;-3.66,-48.84,;-2.94,-47.47,;-3.56,-51.49,;-5.1,-51.56,;-5.92,-50.25,;-5.82,-52.92,;-7.35,-52.98,;-8.37,-54.26,;-9.78,-53.69,;-11.27,-54.11,;-10.08,-52.84,;-10.09,-51.35,;-8.74,-50.88,;-9.78,-52.11,;-7.34,-51.45,;-8.75,-53.33,)|
Cc1ccccc1CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:12.16,9.9,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(5.6,-48.13,;4.79,-46.82,;5.51,-45.47,;4.7,-44.16,;3.16,-44.21,;2.43,-45.57,;3.25,-46.87,;2.53,-48.23,;.99,-48.29,;.27,-49.65,;-1.27,-49.7,;-2,-51.07,;-1.18,-52.36,;.37,-52.31,;1.09,-50.95,;-1.89,-53.73,;-3.43,-53.79,;-4.25,-52.49,;-4.15,-55.15,;-5.69,-55.21,;-6.7,-56.49,;-8.11,-55.93,;-9.61,-56.35,;-8.41,-55.07,;-8.42,-53.58,;-7.07,-53.11,;-8.11,-54.34,;-5.67,-53.69,;-7.09,-55.56,)|
COc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:7.6,wD:10.13,TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22,(5.84,-12.14,;5.02,-10.84,;3.48,-10.9,;2.76,-12.26,;1.22,-12.31,;.41,-11.01,;-1.13,-11.06,;-1.85,-12.42,;-1.04,-13.73,;-1.75,-15.08,;-3.3,-15.14,;-4.12,-13.84,;-3.39,-12.48,;-4.01,-16.5,;-5.55,-16.56,;-6.38,-15.26,;-6.27,-17.93,;-7.81,-17.99,;-8.82,-19.27,;-10.23,-18.7,;-11.73,-19.12,;-10.53,-17.85,;-10.54,-16.36,;-9.2,-15.88,;-10.24,-17.12,;-7.8,-16.46,;-9.21,-18.33,;1.12,-9.65,;2.66,-9.59,)|
OC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](CC2)Oc2cccc(c2)C(O)=O)cc1 |wU:11.10,14.17,(-8.15,-12.39,;-7.32,-13.69,;-8.04,-15.06,;-5.78,-13.63,;-5.06,-12.26,;-3.53,-12.2,;-2.7,-13.51,;-1.16,-13.45,;-.45,-12.08,;-1.28,-10.78,;1.09,-12.02,;1.8,-10.66,;.99,-9.36,;1.71,-8,;3.25,-7.94,;4.07,-9.25,;3.36,-10.6,;3.98,-6.58,;5.52,-6.53,;6.23,-5.17,;7.76,-5.1,;8.59,-6.42,;7.87,-7.77,;6.33,-7.83,;8.69,-9.08,;7.98,-10.44,;10.23,-9.03,;-3.41,-14.87,;-4.95,-14.94,)|
Clc1cccc(Cl)c1CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:10.10,wD:13.17,TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(31.75,-44.54,;30.94,-43.24,;31.66,-41.88,;30.85,-40.57,;29.31,-40.63,;28.58,-41.99,;27.04,-42.04,;29.4,-43.29,;28.68,-44.65,;27.14,-44.7,;26.42,-46.06,;27.23,-47.37,;26.52,-48.73,;24.97,-48.78,;24.15,-47.49,;24.88,-46.12,;24.25,-50.14,;22.72,-50.21,;21.89,-48.9,;22,-51.57,;20.46,-51.63,;19.45,-52.91,;18.04,-52.35,;16.54,-52.76,;17.74,-51.49,;17.73,-50,;19.07,-49.53,;18.03,-50.76,;20.47,-50.1,;19.06,-51.98,)|
Fc1cccc(F)c1CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:13.17,10.10,TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(3.82,2.41,;3.01,3.72,;3.73,5.07,;2.92,6.38,;1.38,6.33,;.65,4.97,;-.89,4.91,;1.47,3.67,;.75,2.31,;-.79,2.25,;-1.51,.89,;-3.05,.83,;-3.77,-.53,;-2.96,-1.83,;-1.41,-1.77,;-.69,-.42,;-3.67,-3.19,;-5.21,-3.25,;-6.03,-1.95,;-5.93,-4.61,;-7.47,-4.68,;-8.48,-5.95,;-9.89,-5.39,;-11.39,-5.81,;-10.19,-4.53,;-10.2,-3.05,;-8.85,-2.57,;-9.89,-3.8,;-7.45,-3.15,;-8.86,-5.02,)|
Clc1ccccc1CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:12.16,9.9,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(18.94,-47.28,;18.13,-45.97,;18.85,-44.62,;18.04,-43.31,;16.5,-43.36,;15.77,-44.72,;16.59,-46.02,;15.87,-47.38,;14.33,-47.44,;13.61,-48.8,;12.07,-48.86,;11.34,-50.22,;12.16,-51.52,;13.71,-51.46,;14.42,-50.11,;11.45,-52.88,;9.91,-52.94,;9.08,-51.64,;9.19,-54.3,;7.65,-54.37,;6.64,-55.64,;5.23,-55.08,;3.73,-55.5,;4.93,-54.22,;4.92,-52.74,;6.26,-52.26,;5.22,-53.49,;7.66,-52.84,;6.25,-54.71,)|
COc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:10.13,7.6,TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22,(5.89,-12.26,;5.07,-10.96,;3.53,-11.02,;2.8,-12.38,;1.27,-12.43,;.45,-11.13,;-1.09,-11.18,;-1.81,-12.54,;-3.35,-12.6,;-4.07,-13.97,;-3.26,-15.26,;-1.71,-15.21,;-.99,-13.85,;-3.97,-16.62,;-5.51,-16.68,;-6.33,-15.38,;-6.23,-18.05,;-7.77,-18.11,;-8.78,-19.39,;-10.19,-18.82,;-11.69,-19.24,;-10.49,-17.97,;-10.5,-16.48,;-9.15,-16.01,;-10.19,-17.24,;-7.75,-16.58,;-9.17,-18.46,;1.17,-9.77,;2.7,-9.71,)|
Brc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:9.12,6.5,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(34.37,3.49,;32.83,3.43,;32.1,2.07,;30.57,2.01,;29.75,3.32,;28.21,3.26,;27.49,1.9,;25.95,1.84,;25.23,.48,;26.04,-.82,;27.59,-.76,;28.31,.59,;25.33,-2.18,;23.79,-2.24,;22.97,-.94,;23.07,-3.6,;21.53,-3.67,;20.52,-4.94,;19.11,-4.38,;17.61,-4.8,;18.81,-3.52,;18.8,-2.04,;20.15,-1.56,;19.11,-2.79,;21.55,-2.14,;20.13,-4.01,;30.47,4.68,;32,4.74,)|
[O-][N+](=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(18.29,-12.77,;17.47,-11.46,;18.19,-10.1,;15.92,-11.52,;15.2,-12.88,;13.66,-12.94,;12.85,-11.63,;11.31,-11.69,;10.59,-13.05,;11.4,-14.35,;10.69,-15.71,;9.14,-15.76,;8.32,-14.47,;9.05,-13.1,;8.43,-17.13,;6.89,-17.19,;6.06,-15.89,;6.17,-18.55,;4.63,-18.61,;3.62,-19.89,;2.21,-19.33,;.71,-19.75,;1.91,-18.47,;1.9,-16.98,;3.24,-16.51,;2.2,-17.74,;4.64,-17.09,;3.23,-18.96,;13.56,-10.27,;15.1,-10.21,)|
Brc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:6.5,wD:9.12,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(34.33,3.61,;32.79,3.55,;32.06,2.19,;30.53,2.13,;29.71,3.44,;28.17,3.38,;27.45,2.02,;28.27,.71,;27.55,-.64,;26,-.7,;25.18,.6,;25.91,1.96,;25.29,-2.06,;23.75,-2.12,;22.92,-.82,;23.03,-3.49,;21.49,-3.55,;20.48,-4.82,;19.07,-4.26,;17.57,-4.68,;18.77,-3.41,;18.76,-1.92,;20.1,-1.44,;19.06,-2.67,;21.5,-2.02,;20.09,-3.89,;30.42,4.8,;31.96,4.86,)|
O=C(N[C@H]1CC[C@H](CC1)OCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |wD:3.2,6.9,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(-5.79,-36.39,;-4.96,-37.7,;-3.42,-37.63,;-2.71,-36.27,;-1.16,-36.22,;-.45,-34.86,;-1.26,-33.55,;-2.8,-33.61,;-3.53,-34.98,;-.54,-32.19,;1,-32.14,;1.72,-30.78,;3.26,-30.73,;3.98,-29.37,;3.17,-28.06,;1.63,-28.12,;.9,-29.48,;-5.68,-39.06,;-7.22,-39.12,;-8.23,-40.4,;-9.64,-39.84,;-11.14,-40.25,;-9.94,-38.98,;-9.95,-37.49,;-8.6,-37.02,;-9.65,-38.25,;-7.21,-37.59,;-8.62,-39.47,)|
CC(C)Oc1cc(F)c(CO[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1 |wU:11.10,wD:14.17,TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26,(18.05,8.12,;17.33,6.76,;18.14,5.45,;15.79,6.71,;15.06,5.36,;15.87,4.05,;15.15,2.69,;15.97,1.39,;13.61,2.64,;12.89,1.28,;11.35,1.22,;10.63,-.14,;11.45,-1.44,;10.73,-2.8,;9.18,-2.85,;8.37,-1.56,;9.09,-.19,;8.47,-4.22,;6.93,-4.28,;6.11,-2.97,;6.21,-5.64,;4.67,-5.7,;3.66,-6.98,;2.25,-6.42,;.76,-6.84,;1.95,-5.56,;1.94,-4.07,;3.29,-3.6,;2.25,-4.83,;4.69,-4.17,;3.28,-6.05,;12.79,3.94,;11.25,3.89,;13.52,5.3,)|
Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:6.5,wD:9.12,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(31.83,-10.88,;30.29,-10.94,;29.56,-12.3,;28.03,-12.36,;27.21,-11.05,;25.67,-11.11,;24.95,-12.47,;25.77,-13.77,;25.05,-15.13,;23.5,-15.18,;22.68,-13.89,;23.41,-12.52,;22.79,-16.55,;21.25,-16.61,;20.42,-15.31,;20.53,-17.97,;18.99,-18.03,;17.98,-19.31,;16.57,-18.75,;15.07,-19.17,;16.27,-17.89,;16.26,-16.4,;17.6,-15.93,;16.56,-17.16,;19,-16.51,;17.59,-18.38,;27.92,-9.69,;29.46,-9.63,)|
Fc1ccc(OCC#CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
O=C(N[C@H]1CC[C@H](CC1)OCC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |wD:3.2,6.9,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(6.65,-19.46,;7.47,-20.76,;9.01,-20.7,;9.72,-19.34,;11.27,-19.29,;11.99,-17.93,;11.17,-16.62,;9.63,-16.68,;8.9,-18.05,;11.89,-15.26,;13.43,-15.21,;14.15,-13.85,;15.69,-13.79,;16.41,-12.44,;15.6,-11.13,;14.06,-11.18,;13.33,-12.55,;6.75,-22.13,;5.21,-22.19,;4.2,-23.47,;2.79,-22.9,;1.29,-23.32,;2.49,-22.05,;2.48,-20.56,;3.83,-20.08,;2.79,-21.32,;5.23,-20.66,;3.81,-22.54,)|
[O-][N+](=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:11.14,8.7,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(18.33,-12.89,;17.51,-11.58,;18.23,-10.22,;15.97,-11.64,;15.24,-13,;13.71,-13.06,;12.89,-11.75,;11.35,-11.81,;10.63,-13.17,;9.09,-13.22,;8.37,-14.59,;9.18,-15.88,;10.73,-15.83,;11.45,-14.47,;8.47,-17.25,;6.93,-17.31,;6.11,-16.01,;6.21,-18.67,;4.67,-18.73,;3.66,-20.01,;2.25,-19.45,;.76,-19.87,;1.95,-18.59,;1.94,-17.1,;3.29,-16.63,;2.25,-17.86,;4.69,-17.21,;3.28,-19.08,;13.61,-10.39,;15.14,-10.33,)|
CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wD:5.8,2.1,TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17,(32.43,-1.35,;30.89,-1.4,;30.17,-2.76,;30.99,-4.07,;30.27,-5.42,;28.73,-5.48,;27.91,-4.18,;28.63,-2.82,;28.01,-6.84,;26.47,-6.9,;25.65,-5.6,;25.75,-8.27,;24.22,-8.33,;23.2,-9.6,;21.79,-9.04,;20.3,-9.46,;21.49,-8.19,;21.48,-6.7,;22.83,-6.22,;21.79,-7.46,;24.23,-6.8,;22.82,-8.67,)|
CC(C)Oc1cc(F)c(CO[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1 |wU:11.10,14.17,TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26,(18.09,8,;17.37,6.64,;18.18,5.33,;15.83,6.59,;15.1,5.24,;15.91,3.93,;15.19,2.57,;16.01,1.27,;13.65,2.52,;12.93,1.16,;11.39,1.1,;10.67,-.26,;9.13,-.31,;8.41,-1.68,;9.23,-2.97,;10.77,-2.92,;11.49,-1.56,;8.51,-4.33,;6.97,-4.4,;6.15,-3.09,;6.26,-5.76,;4.72,-5.82,;3.7,-7.1,;2.3,-6.54,;.8,-6.96,;1.99,-5.68,;1.99,-4.19,;3.33,-3.72,;2.29,-4.95,;4.73,-4.29,;3.32,-6.17,;12.83,3.82,;11.29,3.77,;13.56,5.18,)|
Brc1ccc(CO[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:10.13,7.6,TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22,(26.78,-26.25,;26.06,-27.61,;26.87,-28.92,;26.15,-30.28,;24.61,-30.33,;23.89,-31.69,;22.35,-31.74,;21.63,-33.1,;20.09,-33.16,;19.36,-34.53,;20.18,-35.82,;21.73,-35.77,;22.44,-34.41,;19.46,-37.18,;17.93,-37.25,;17.1,-35.94,;17.21,-38.61,;15.67,-38.67,;14.66,-39.95,;13.25,-39.39,;11.75,-39.8,;12.95,-38.53,;12.94,-37.04,;14.28,-36.57,;13.24,-37.8,;15.68,-37.14,;14.27,-39.02,;23.79,-29.03,;24.52,-27.66,)|
Fc1ccc(Oc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |wD:9.12,6.5,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(36.25,-9.09,;34.71,-9.15,;33.99,-10.51,;32.45,-10.57,;31.63,-9.26,;30.09,-9.32,;29.38,-10.68,;30.2,-11.99,;29.48,-13.33,;27.93,-13.39,;27.11,-12.1,;27.84,-10.73,;27.22,-14.75,;25.68,-14.81,;24.85,-13.52,;24.96,-16.18,;23.42,-16.24,;22.4,-17.52,;21,-16.96,;19.5,-17.37,;20.69,-16.1,;20.69,-14.61,;22.03,-14.14,;21,-15.37,;23.43,-14.71,;22.02,-16.59,;32.35,-7.9,;33.89,-7.84,)|
O=C(N[C@H]1CC[C@@H](CC1)OCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |wU:6.9,wD:3.2,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(22.51,-19.43,;23.33,-20.73,;24.87,-20.67,;25.59,-19.3,;27.13,-19.25,;27.85,-17.89,;27.03,-16.59,;25.49,-16.65,;24.77,-18.01,;27.75,-15.23,;29.29,-15.17,;30.01,-13.81,;31.55,-13.76,;32.27,-12.41,;31.46,-11.1,;29.92,-11.15,;29.19,-12.51,;22.61,-22.09,;21.08,-22.15,;20.06,-23.43,;18.65,-22.87,;17.16,-23.29,;18.35,-22.01,;18.34,-20.53,;19.69,-20.05,;18.65,-21.28,;21.09,-20.63,;19.68,-22.5,)|
Fc1ccc(CC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(35.36,-29.17,;33.82,-29.23,;33.11,-30.59,;31.57,-30.65,;30.75,-29.34,;29.21,-29.4,;28.49,-30.76,;29.31,-32.07,;28.59,-33.42,;27.05,-33.47,;26.22,-32.18,;26.95,-30.82,;26.33,-34.83,;24.79,-34.89,;23.97,-33.6,;24.07,-36.26,;22.53,-36.32,;21.52,-37.6,;20.12,-37.04,;18.62,-37.46,;19.81,-36.18,;19.8,-34.69,;21.15,-34.22,;20.11,-35.45,;22.55,-34.79,;21.14,-36.67,;31.47,-27.98,;33,-27.92,)|
OC(=O)c1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 |wU:9.8,wD:12.15,(7.44,1.03,;8.16,2.39,;9.7,2.45,;7.34,3.7,;8.06,5.06,;7.23,6.37,;5.7,6.31,;4.99,4.95,;3.45,4.9,;2.73,3.53,;3.54,2.23,;2.83,.87,;1.28,.82,;.46,2.11,;1.18,3.48,;.56,-.55,;-.98,-.61,;-1.8,.7,;-1.69,-1.97,;-3.23,-2.03,;-4.05,-.73,;-5.58,-.79,;-6.3,-2.15,;-7.84,-2.21,;-8.66,-.91,;-9.45,.43,;-9.98,-1.71,;-7.34,-.13,;-5.47,-3.46,;-3.94,-3.39,;5.8,3.64,)|
Fc1ccc(OCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
Clc1ccccc1CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:9.9,wD:12.16,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(17.27,-45.05,;16.46,-43.74,;17.18,-42.39,;16.37,-41.08,;14.83,-41.13,;14.1,-42.49,;14.92,-43.79,;14.2,-45.15,;12.66,-45.21,;11.94,-46.57,;12.76,-47.87,;12.04,-49.23,;10.49,-49.28,;9.67,-47.99,;10.4,-46.63,;9.78,-50.65,;8.24,-50.71,;7.42,-49.41,;7.52,-52.07,;5.98,-52.13,;4.97,-53.41,;3.56,-52.85,;2.06,-53.27,;3.26,-51.99,;3.25,-50.5,;4.6,-50.03,;3.56,-51.26,;6,-50.61,;4.58,-52.48,)|
O[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:1.0,wD:4.7,TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16,(13.98,7.12,;13.26,5.76,;14.07,4.45,;13.36,3.1,;11.81,3.04,;10.99,4.34,;11.72,5.7,;11.09,1.68,;9.56,1.62,;8.73,2.92,;8.84,.25,;7.3,.19,;6.29,-1.08,;4.88,-.52,;3.38,-.94,;4.58,.33,;4.57,1.82,;5.91,2.3,;4.87,1.07,;7.31,1.72,;5.9,-.15,)|
O[C@H]1CC[C@@H](CC1)NC(=O)N[C@H]1CC[C@H](O)CC1 |wU:14.15,1.0,wD:4.7,11.11,(3.16,.32,;4.49,-.45,;5.82,.31,;7.15,-.46,;7.14,-2,;5.82,-2.77,;4.48,-1.99,;8.47,-2.77,;9.8,-2,;9.8,-.46,;11.14,-2.77,;12.47,-2,;13.8,-2.77,;15.14,-2,;15.14,-.45,;16.47,.31,;13.8,.32,;12.47,-.45,)|
CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:2.1,wD:5.8,TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17,(16.68,-2.51,;15.14,-2.57,;14.42,-3.93,;15.24,-5.23,;14.52,-6.59,;12.97,-6.64,;12.16,-5.35,;12.88,-3.98,;12.26,-8.01,;10.72,-8.07,;9.9,-6.77,;10,-9.43,;8.46,-9.49,;7.45,-10.77,;6.04,-10.21,;4.55,-10.63,;5.74,-9.35,;5.73,-7.86,;7.08,-7.39,;6.04,-8.62,;8.48,-7.96,;7.07,-9.84,)|
Fc1cc(F)cc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(4.8,-26.69,;3.98,-25.38,;4.71,-24.02,;3.88,-22.71,;4.6,-21.35,;2.35,-22.77,;1.63,-24.13,;.09,-24.19,;-.63,-25.55,;.19,-26.85,;-.53,-28.21,;-2.07,-28.26,;-2.89,-26.97,;-2.17,-25.61,;-2.79,-29.63,;-4.33,-29.69,;-5.15,-28.39,;-5.05,-31.05,;-6.59,-31.11,;-7.6,-32.39,;-9.01,-31.83,;-10.5,-32.25,;-9.31,-30.97,;-9.32,-29.48,;-7.97,-29.01,;-9.01,-30.24,;-6.57,-29.59,;-7.98,-31.46,;2.45,-25.44,)|
Brc1ccc(CO[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:7.6,wD:10.13,TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22,(33.17,-23.95,;32.45,-25.31,;33.26,-26.62,;32.54,-27.97,;31,-28.02,;30.28,-29.38,;28.74,-29.44,;28.02,-30.8,;28.83,-32.11,;28.12,-33.46,;26.57,-33.51,;25.75,-32.22,;26.47,-30.86,;25.85,-34.88,;24.31,-34.94,;23.49,-33.64,;23.6,-36.3,;22.06,-36.36,;21.05,-37.64,;19.64,-37.08,;18.14,-37.5,;19.34,-36.22,;19.33,-34.74,;20.67,-34.26,;19.63,-35.49,;22.07,-34.84,;20.66,-36.71,;30.18,-26.72,;30.9,-25.36,)|
CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ncccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cncn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cccn1
Cc1c(o[nH]c1=O)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nnco1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1ncon1
Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1
FC(F)(F)c1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
FC(F)(F)c1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccccn2)cc1
O=C(NC1CCc2ccccc2CC1)N1CCC(CC1)c1nc(no1)-c1ccccn1
O=C(NC1CCc2ccccc2C1)N1CCC(CC1)c1nc(no1)-c1ccccn1
O=C(NC1Cc2ccccc2C1)N1CCC(CC1)c1nc(no1)-c1ccccn1
CCCCn1c(nc2cc(ccc12)C(=O)NCc1cccc(OC)c1OC)-c1cc(OC)c(OC)c(OC)c1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1ccnn1
Cn1cc(nn1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Cn1cnnc1C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(cc1)C#N |r|
CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
COc1cccc2CCC(Cc12)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2nonc2c1 |r|
Cc1nc2cc(NC(=O)N[C@H]3C[C@@H]3c3ccccc3)ccc2o1 |r|
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)NC1CCN(CC1)c1ccccc1 |r|
O=C(Nc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:28:32.31.30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25|
FC(F)(F)Oc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Ic1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
FC(F)Oc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
FC(F)(F)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
COc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(F)(F)F |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Cc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
CSc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
CC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
CC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
CCOC(=O)COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:14:15:18:22.21.20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|
O=C(Nc1ccc(Oc2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
O=C(Nc1ccc(cc1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(Nc1cccc(Oc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
O=C(Nc1cccc(c1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(Nc1cccc(c1)C(=O)NCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
O=C(NCCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
CCOC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wD:13.16,10.9,TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,(27.44,-6.3,;27.45,-4.76,;26.11,-3.99,;24.78,-4.75,;24.77,-6.29,;23.45,-3.98,;22.11,-4.74,;20.78,-3.97,;20.79,-2.43,;19.46,-1.65,;18.12,-2.42,;18.11,-3.96,;16.78,-4.72,;15.45,-3.95,;15.45,-2.41,;16.79,-1.64,;14.12,-4.72,;12.78,-3.95,;12.78,-2.41,;11.45,-4.72,;10.12,-3.95,;9.11,-5.23,;7.7,-4.67,;6.2,-5.09,;7.4,-3.82,;7.39,-2.33,;8.74,-1.85,;7.7,-3.08,;10.13,-2.43,;8.73,-4.3,;22.12,-1.66,;23.45,-2.43,)|
CCCCCO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |r,wU:6.5,wD:9.12,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(42.92,-15.73,;41.59,-14.96,;40.25,-15.72,;38.92,-14.95,;37.58,-15.71,;36.25,-14.94,;34.92,-15.7,;34.91,-17.24,;33.58,-18.01,;32.24,-17.24,;32.24,-15.69,;33.58,-14.93,;30.91,-18.01,;29.57,-17.24,;29.58,-15.7,;28.24,-18.01,;26.91,-17.24,;25.9,-18.52,;24.49,-17.96,;22.99,-18.38,;24.19,-17.1,;24.18,-15.61,;25.53,-15.14,;24.49,-16.37,;26.92,-15.71,;25.52,-17.59,)|
CC(C)c1ccc(NC(=O)NCC2CCCCC2)cc1
Clc1cccc(NC(=O)NCC2CCCCC2)c1
O=C(CCCCCCOCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CCOC(=O)C(F)(F)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CC(C)(C)c1ccc(NC(=O)NC2CCCCC2)cc1
FC(F)(F)Oc1ccc(NC(=O)NC2CCCCC2)cc1
FC(F)(F)c1cccc(NC(=O)NC2CCCCC2)c1
COCC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wD:13.16,10.9,TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,(28.55,-13.77,;28.55,-12.23,;27.22,-11.45,;25.88,-12.22,;25.88,-13.76,;24.55,-11.45,;23.21,-12.21,;21.88,-11.44,;21.89,-9.9,;20.56,-9.12,;19.23,-9.88,;19.22,-11.43,;17.89,-12.19,;16.55,-11.42,;16.55,-9.88,;17.89,-9.11,;15.22,-12.19,;13.89,-11.42,;13.89,-9.88,;12.55,-12.19,;11.23,-11.42,;10.21,-12.7,;8.81,-12.14,;7.31,-12.56,;8.5,-11.28,;8.49,-9.79,;9.84,-9.32,;8.8,-10.55,;11.24,-9.89,;9.83,-11.77,;23.22,-9.13,;24.55,-9.9,)|
FC(F)(F)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc1 |r,wD:12.15,9.8,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,(46.32,-12.58,;46.32,-11.04,;47.66,-10.28,;47.65,-11.81,;44.99,-10.27,;43.65,-11.04,;42.32,-10.26,;42.33,-8.72,;41,-7.95,;39.67,-8.71,;39.66,-10.25,;38.33,-11.01,;36.99,-10.24,;36.99,-8.7,;38.33,-7.94,;35.66,-11.01,;34.33,-10.24,;34.33,-8.7,;32.99,-11.01,;31.67,-10.25,;30.65,-11.52,;29.25,-10.97,;27.75,-11.39,;28.94,-10.11,;28.93,-8.62,;30.28,-8.15,;29.24,-9.38,;31.68,-8.72,;30.27,-10.59,;43.66,-7.96,;44.99,-8.72,)|
COC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](CC2)Oc2cc(cc(c2)C(=O)OC)C(=O)OC)cc1 |r,wD:15.18,12.11,(9.57,-17.22,;10.9,-17.99,;12.24,-17.22,;12.24,-15.68,;13.57,-17.99,;13.57,-19.53,;14.9,-20.31,;16.24,-19.53,;17.57,-20.3,;18.91,-19.53,;18.9,-17.99,;20.24,-20.3,;21.57,-19.53,;22.9,-20.3,;24.23,-19.54,;24.24,-18,;22.9,-17.22,;21.56,-17.99,;25.57,-17.23,;26.9,-18,;28.23,-17.23,;29.56,-18,;29.56,-19.55,;28.23,-20.31,;26.89,-19.54,;28.22,-21.85,;26.89,-22.62,;29.55,-22.63,;29.55,-24.17,;30.89,-17.23,;30.89,-15.69,;32.23,-17.99,;32.23,-19.53,;16.23,-17.98,;14.9,-17.22,)|
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
[O-][N+](=O)c1cccc(NC(=O)N[C@H]2CC[C@@H](CC2)OCc2c(F)cccc2F)c1 |r,wU:15.18,wD:12.11,(-.88,-29.98,;.45,-30.75,;.45,-32.29,;1.79,-29.97,;1.79,-28.43,;3.12,-27.66,;4.46,-28.42,;4.46,-29.97,;5.8,-30.74,;7.13,-29.97,;7.13,-28.43,;8.47,-30.74,;9.8,-29.96,;11.13,-30.74,;12.46,-29.97,;12.46,-28.43,;11.13,-27.66,;9.79,-28.43,;13.8,-27.67,;15.13,-28.44,;16.46,-27.67,;16.46,-26.14,;15.12,-25.37,;17.79,-25.37,;19.13,-26.14,;19.12,-27.68,;17.79,-28.45,;17.79,-29.99,;3.13,-30.74,)|
COC(=O)c1ccc(NC(=O)NC2CCCCCC2)cc1
O=C(Nc1ccc(CC(=O)c2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
CCOCCOCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
CCOCCOCC(OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
FC(F)(F)COCCOCCOc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
COCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
O=C(NCCCCCOCCOCCOCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:22:23:26:30.29.28,THB:24:25:28:32.23.31,24:23:26.25.30:28,31:23:26:30.29.28,31:29:26:32.24.23|
CC(C)OCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
CCCC(C)OCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
CCOCCOCCOC(=C)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(N[C@H]1CC[C@@H](CC1)OCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |r,wU:6.9,wD:3.2,TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,(-4.82,-24.68,;-4.82,-26.22,;-3.48,-26.99,;-2.15,-26.22,;-.82,-26.99,;.51,-26.23,;.52,-24.69,;-.81,-23.91,;-2.15,-24.68,;1.86,-23.92,;3.19,-24.7,;4.53,-23.93,;5.86,-24.71,;7.19,-23.94,;8.52,-24.73,;9.85,-23.97,;9.86,-22.43,;8.53,-21.65,;7.19,-22.41,;-6.15,-26.99,;-7.48,-26.22,;-8.49,-27.5,;-9.9,-26.94,;-11.4,-27.36,;-10.2,-26.09,;-10.21,-24.59,;-8.86,-24.12,;-9.9,-25.35,;-7.47,-24.69,;-8.88,-26.57,)|
O=C(N[C@H]1CC[C@@H](CC1)OC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |r,wU:3.2,wD:6.9,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,(-5.11,-31.85,;-5.11,-33.39,;-3.77,-34.16,;-2.44,-33.39,;-2.44,-31.85,;-1.1,-31.08,;.23,-31.86,;.23,-33.4,;-1.1,-34.16,;1.57,-31.09,;2.9,-31.87,;2.9,-33.41,;4.24,-31.1,;5.56,-31.88,;6.9,-31.12,;6.9,-29.57,;5.56,-28.8,;4.23,-29.57,;-6.44,-34.16,;-7.77,-33.39,;-8.78,-34.67,;-10.19,-34.11,;-11.69,-34.53,;-10.49,-33.26,;-10.5,-31.76,;-9.15,-31.29,;-10.19,-32.52,;-7.76,-31.86,;-9.16,-33.74,)|
FC(F)C(F)(F)Oc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
CCCCCCc1ccc(NC(=O)NC2CCCCC2)cc1
Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
CCOCCOCCOc1ccc(cc1)C(OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
O=C(N[C@H]1CC[C@H](CC1)OC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |r,wD:3.2,6.9,TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,(-4.47,-38.13,;-4.47,-39.67,;-3.14,-40.44,;-1.81,-39.67,;-.47,-40.44,;.86,-39.67,;.86,-38.13,;-.47,-37.36,;-1.81,-38.13,;2.2,-37.37,;3.53,-38.15,;3.52,-39.68,;4.84,-40.46,;6.18,-39.7,;6.19,-38.16,;4.86,-37.38,;-5.81,-40.44,;-7.13,-39.67,;-8.15,-40.95,;-9.55,-40.39,;-11.05,-40.81,;-9.86,-39.53,;-9.87,-38.04,;-8.52,-37.57,;-9.56,-38.8,;-7.12,-38.14,;-8.53,-40.02,)|
FC(F)(F)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc1 |r,wU:9.8,wD:12.15,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,(25.94,-52.52,;25.94,-50.98,;27.28,-50.21,;27.27,-51.93,;24.61,-50.2,;23.27,-50.97,;21.95,-50.19,;21.96,-48.65,;20.63,-47.88,;19.29,-48.64,;19.28,-50.18,;17.95,-50.95,;16.62,-50.18,;16.61,-48.63,;17.96,-47.87,;15.28,-50.95,;13.95,-50.17,;13.95,-48.63,;12.62,-50.94,;11.29,-50.18,;10.27,-51.46,;8.87,-50.9,;7.37,-51.32,;8.56,-50.04,;8.56,-48.55,;9.9,-48.08,;8.86,-49.31,;11.3,-48.65,;9.89,-50.52,;23.28,-47.89,;24.61,-48.65,)|
C=CCO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |r,wD:7.10,4.3,TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,(44.74,-48.95,;43.41,-48.18,;42.07,-48.94,;40.74,-48.16,;39.4,-48.93,;39.39,-50.47,;38.06,-51.23,;36.73,-50.46,;36.73,-48.92,;38.07,-48.15,;35.4,-51.23,;34.06,-50.46,;34.06,-48.92,;32.73,-51.23,;31.4,-50.47,;30.39,-51.74,;28.98,-51.19,;27.48,-51.61,;28.68,-50.33,;28.67,-48.84,;30.02,-48.37,;28.98,-49.59,;31.41,-48.94,;30.01,-50.81,)|
COC(=O)c1cccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |r,wD:13.16,10.9,TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,(6.71,-4.95,;6.71,-3.41,;5.38,-2.64,;5.38,-1.1,;4.04,-3.41,;4.04,-4.96,;2.7,-5.72,;1.37,-4.95,;1.38,-3.41,;.05,-2.63,;-1.28,-3.4,;-1.29,-4.94,;-2.62,-5.7,;-3.96,-4.93,;-3.96,-3.39,;-2.62,-2.62,;-5.29,-5.7,;-6.62,-4.93,;-6.62,-3.39,;-7.96,-5.7,;-9.28,-4.93,;-10.3,-6.21,;-11.71,-5.65,;-13.21,-6.07,;-12.01,-4.8,;-12.02,-3.31,;-10.67,-2.83,;-11.72,-4.06,;-9.27,-3.41,;-10.68,-5.28,;2.71,-2.64,)|
O=C(NC1CCCC(C1)C(=O)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(NC1CCCC(C1)C(=O)NN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
O=C(Nc1ccc(cc1)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
O=C(NC1CCCC(C1)C(=O)N1CCC(CC1)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.30.29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
O=C(NCCCCCOCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Clc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCCN1CCOCC1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Clc1cc(OCCN2CCOCC2)ccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
O=C(Nc1cccc(c1)C(=O)NCC1CN(Cc2ccccc2)CCO1)NC12CC3CC(CC(C3)C1)C2 |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCCN1CCOCC1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
O=C(NN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13|
Cn1nnc2cc(NC(=O)NCCC3=CCCCC3)ccc12 |t:13|
COc1ccc(NC(=O)c2cccc(c2)-n2cnnn2)cc1
COc1ccc(CC(=O)Nc2ccc(C)cc2)cc1OC
COc1ccc(cc1OC)-c1nc2ccc(C)cc2[nH]1
CCCCC(C)OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
CCCCC(CC)OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CCCCC(OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C#N |TLB:14:15:18:22.21.20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|
CCOCCOCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
OC(=O)C1CCCC(C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
CCCCCOC(=O)C1CCCC(C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
CCCCC(CC)OC(=O)C1CCCC(C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
CCOCCOCC(OC(=O)C1CCCC(C1)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
[O-][N+](=O)c1cccc(c1)S(=O)(=O)NCCCOC(=O)Nc1cccc(Cl)c1
Oc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc23)c1
O=C(NCCCNc1ncc(-c2ccncc2)c(n1)C1CC1)c1ccccn1
CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)NC1CCCCC1
OC(=O)c1cccn1Cc1ccc(CNC(=O)NC2CCCCC2)cc1
OC(=O)c1cccn1Cc1cccc(CNC(=O)NC2CCCCC2)c1
OC(=O)c1cccn1Cc1ccccc1CNC(=O)NC1CCCCC1
CCOC(=O)c1cccn1Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)Nc1ccc(OC(F)(F)F)cc1
CCOC(=O)c1cccn1Cc1ccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |r,TLB:27:26:29:21.22.23,27:22:28.26.25:29|
CCOC(=O)c1cccn1Cc1cccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1 |r,TLB:28:27:30:22.23.24,28:23:29.27.26:30|
CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,TLB:25:26:29.24.23:30,THB:25:24:30:27.26.31|
CCOC(=O)c1cccn1Cc1ccc(CNC(=O)NC2CCCCC2)cc1
CCOC(=O)c1cccn1Cc1cccc(CNC(=O)NC2CCCCC2)c1
OC(=O)c1cccn1Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
OC(=O)c1cccn1Cc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1
OC(=O)c1cccn1Cc1ccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |r,THB:23:24:19:27.22.21,23:22:26.24.25:19|
OC(=O)c1cccn1Cc1cccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1 |r,TLB:18:19:26.21.22:24,THB:20:21:24:27.19.28,20:19:26.21.22:24,22:21:27:23.24.28|
OC(=O)c1cccn1Cc1ccccc1CNC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,THB:28:20:23:27.25.26,28:26:23:21.20.29|
COc1cc2OCOc2cc1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1C
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2cc(ccc2c1)C(O)=O
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc2cnccc12
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cnc2ccccc2c1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2ccccc2c1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Br)cc1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(F)cc1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F
CC(C)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2C)cc1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(N2CCCCC2)c(c1)C(N)=O
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C(O)=O
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1
COc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2C)cc1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1C
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1Cl
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCCC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCc2ccccc12
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2OCOc2c1
COC(=O)c1ccc2cc(NC(=O)C3CCN(CC3)S(=O)(=O)c3ccc(C)cc3C)ccc2c1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2ncccc2c1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc2cccnc12
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(Cl)cc(Cl)c1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)N1CCOCC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)N1CCCCC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1
COC(=O)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2C)cc1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(O)cc1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1O
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1Br
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1F
CC(C)CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1C
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCCC1
Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:29:20:27:23.24.25,19:20:27:23.24.25,THB:29:24:21.20.28:27,25:24:21:28.26.27,25:26:21:23.29.24|
COc1cc(ccc1OCCCNC(=O)NC1CCCCC1)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)-c1nc2ccc(C)cn2c1NC1CCCCC1 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCNC(=O)Nc2ccc(cc2)C(F)(F)F)c(Cl)c1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCNC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
COc1ccc(cc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1ccc(cc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC(C)C
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(F)cn2c1NC1CCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC1CCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC(C)C
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC(C)C
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(F)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(F)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(Cl)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
CC(C)Nc1c(nc2ccc(C)cn12)-c1ccc(OCC2CCN(CC2)C(=O)Nc2ccc(Cl)cc2)cc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCC2CCN(CC2)C(=O)Nc2ccc(Cl)cc2)cc1
OCC1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
CC(N(O)C(N)=O)c1cc2ccccc2s1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
CC(C)(C)OC(=O)NCC(=O)Oc1cccc2oc(=O)[nH]c12
CC(NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c12
CSCCC(NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c12
[O-][N+](=O)c1cccc(c1)C(=O)Oc1cccc2oc(=O)[nH]c12
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Oc1cccc2oc(=O)[nH]c12
CC(C)(C)OC(=O)N1CCCC1C(=O)Oc1cccc2oc(=O)[nH]c12
Cc1ccc(cc1)C(=O)Oc1cccc2oc(=O)[nH]c12
CCCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C |TLB:9:10:12:16.15.14,THB:10:11:14:19.18.17,10:18:12.11.16:14,17:18:12:16.15.14,17:15:12:19.10.18,(29.77,-16.54,;29.31,-18.01,;27.8,-18.34,;27.34,-19.81,;25.88,-20.3,;25.89,-21.85,;24.56,-22.63,;23.23,-21.86,;23.23,-20.32,;21.9,-22.63,;20.57,-21.85,;20.07,-23.28,;20.56,-24.76,;19.23,-23.62,;17.75,-23.71,;17.2,-22.38,;18.49,-23.36,;17.71,-20.96,;19.24,-20.9,;19.66,-22.27,;27.36,-22.3,;28.25,-21.05,;29.79,-21.04,)|
CCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C |TLB:8:9:11:15.14.13,THB:9:10:13:18.17.16,9:17:11.10.15:13,16:17:11:15.14.13,16:14:11:18.9.17,(14.16,-17.48,;12.65,-17.82,;12.19,-19.28,;10.73,-19.77,;10.74,-21.32,;9.41,-22.1,;8.08,-21.33,;8.08,-19.79,;6.74,-22.1,;5.41,-21.32,;4.92,-22.75,;5.41,-24.23,;4.08,-23.09,;2.6,-23.18,;2.05,-21.85,;3.34,-22.83,;2.56,-20.43,;4.09,-20.37,;4.5,-21.74,;12.21,-21.78,;13.1,-20.52,;14.64,-20.51,)|
O=C(NC1C2CC3CC(C2)CC1C3)Nc1nnc(o1)C1CCC1 |TLB:2:3:5:9.8.7,THB:3:4:7:12.11.10,3:11:5.4.9:7,10:11:5:9.8.7,10:8:5:12.3.11,(33.73,-11.86,;33.73,-13.4,;32.4,-14.17,;31.07,-13.39,;30.57,-14.82,;31.07,-16.3,;29.73,-15.17,;28.25,-15.25,;27.71,-13.93,;28.99,-14.91,;28.22,-12.51,;29.74,-12.44,;30.16,-13.82,;35.06,-14.17,;36.39,-13.39,;37.86,-13.85,;38.76,-12.6,;37.84,-11.36,;36.38,-11.85,;38.31,-9.89,;39.67,-9.19,;38.96,-7.82,;37.59,-8.53,)|
O=C(NC1C2CC3CC(C2)CC1C3)Nc1nnc(o1)C1CC1 |TLB:2:3:5:9.8.7,THB:3:4:7:12.11.10,3:11:5.4.9:7,10:11:5:9.8.7,10:8:5:12.3.11,(21.06,-10.56,;21.06,-12.1,;19.73,-12.87,;18.4,-12.09,;17.9,-13.52,;18.39,-15,;17.06,-13.87,;15.58,-13.95,;15.03,-12.63,;16.32,-13.61,;15.54,-11.21,;17.07,-11.14,;17.49,-12.52,;22.39,-12.87,;23.72,-12.09,;25.19,-12.55,;26.08,-11.3,;25.17,-10.06,;23.71,-10.55,;25.63,-8.59,;26.76,-7.55,;25.29,-7.09,)|
CC(C)c1nnc(NC(=O)NC2C3CC4CC(C3)CC2C4)o1 |TLB:10:11:13:17.16.15,THB:11:12:15:20.19.18,11:19:13.12.17:15,18:19:13:17.16.15,18:16:13:20.11.19,(14.26,-8.9,;12.75,-9.23,;11.71,-8.09,;12.29,-10.7,;13.2,-11.94,;12.31,-13.19,;10.84,-12.73,;9.51,-13.51,;8.18,-12.74,;8.18,-11.2,;6.85,-13.51,;5.52,-12.73,;5.02,-14.16,;5.51,-15.64,;4.18,-14.51,;2.7,-14.59,;2.15,-13.27,;3.44,-14.24,;2.66,-11.84,;4.19,-11.78,;4.6,-13.16,;10.83,-11.18,)|
Cc1csc(NC(=O)NC2C3CC4CC(C3)CC2C4)n1 |TLB:8:9:11:15.14.13,THB:9:10:13:18.17.16,9:17:11.10.15:13,16:17:11:15.14.13,16:14:11:18.9.17,(39.32,-1.02,;38.85,-2.49,;39.77,-3.73,;38.87,-4.98,;37.4,-4.53,;36.07,-5.3,;34.74,-4.53,;34.74,-2.99,;33.41,-5.3,;32.08,-4.53,;31.58,-5.96,;32.08,-7.44,;30.74,-6.3,;29.26,-6.38,;28.72,-5.06,;30,-6.04,;29.23,-3.64,;30.75,-3.58,;31.17,-4.95,;37.39,-2.98,)|
Cc1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1 |TLB:7:8:10:14.13.12,THB:8:9:12:17.16.15,8:16:10.9.14:12,15:16:10:14.13.12,15:13:10:17.8.16,(26.33,-.46,;25.87,-1.92,;24.41,-2.41,;24.42,-3.96,;23.09,-4.74,;21.76,-3.97,;21.76,-2.43,;20.43,-4.74,;19.1,-3.96,;18.6,-5.39,;19.09,-6.87,;17.76,-5.73,;16.28,-5.82,;15.73,-4.49,;17.02,-5.47,;16.24,-3.07,;17.77,-3.01,;18.19,-4.38,;25.89,-4.42,;26.78,-3.16,)|
CC(C)(C)c1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1 |TLB:10:11:13:17.16.15,THB:11:12:15:20.19.18,11:19:13.12.17:15,18:19:13:17.16.15,18:16:13:20.11.19,(13.67,-2.85,;12.16,-3.19,;11.12,-2.06,;12.55,-1.69,;11.7,-4.65,;10.24,-5.14,;10.25,-6.69,;8.92,-7.47,;7.59,-6.7,;7.59,-5.16,;6.25,-7.47,;4.92,-6.69,;4.43,-8.12,;4.92,-9.6,;3.59,-8.46,;2.11,-8.55,;1.56,-7.22,;2.85,-8.2,;2.07,-5.8,;3.6,-5.74,;4.01,-7.11,;11.72,-7.15,;12.61,-5.89,)|
O=C(NC1C2CC3CC(C2)CC1C3)Nc1ncco1 |TLB:2:3:5:9.7.8,THB:10:11:5:9.7.8,10:8:5:11.3.12,7:6:3:10.9.8,7:8:3:5.6.12|
CCCn1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
CCn1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
CCn1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
O=C(Nc1nnc(o1)-c1cccs1)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
O=C(Nc1nnc(o1)C1CCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
CC(C)c1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)o1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Cc1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)o1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
O=C(Nc1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Cc1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Cc1csc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
O=C(Nc1nccs1)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C |TLB:8:9:12:16.15.14,THB:17:9:12:16.15.14,17:15:12:18.10.9,10:11:14:18.9.17,10:9:12.11.16:14|
Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
FC(F)(F)c1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)on1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Cc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)on1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)no1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Cc1onc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Br |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
CC(C)(C)c1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)no1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
O=C(Nc1ccon1)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
O=C(Nc1ncco1)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
O=C(Nc1nccnn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15|
O=C(Nc1ncncn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15|
O=C(Nc1ccncn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15|
O=C(Nc1ncccn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15|
O=C(Nc1ccccn1)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13|
O=C(Nc1cccnc1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15|
O=C(Nc1ccncc1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15|
Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1C |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)n1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Cc1nc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)oc1C |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)no1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)nn1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)nn1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C#N
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(OC(F)(F)F)cc1
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1cccc(OC(F)(F)F)c1
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1OC
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C
CNc1cc(C)cc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1cc(C)cc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1cc(C)nc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1cc(cc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1cc(nc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1cc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1nc(C)cc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
COCCNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Cc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)N1CCOCC1
CC(C)Nc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CN(C)c1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1nc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)C1CCCCC1
CCc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)N(C)CCN(C)C
CNc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
CCCCCCCCS(=O)Cc1ccccc1
O=S(Cc1ccccc1)Cc1ccccc1
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
CCCCCCCCS(=O)(=O)CCCCCCCC
CCCCCCCCSCCCCCCCC
CCCCCCCCC(=O)CCCCCCCC
O=C(Cc1ccccc1)Nc1ccccc1
CCCCCCCCS(=O)CCCCCCCC
CNC(=O)c1cc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wD:8.7,11.14,(22.06,-49.42,;20.73,-50.19,;19.39,-49.42,;19.39,-47.88,;18.06,-50.19,;16.73,-49.43,;15.4,-50.19,;14.07,-49.42,;12.73,-50.18,;12.73,-51.72,;11.4,-52.49,;10.07,-51.72,;10.07,-50.18,;11.4,-49.41,;8.74,-52.5,;7.4,-51.73,;7.4,-50.19,;6.07,-52.5,;4.74,-51.73,;3.42,-52.5,;2.08,-51.74,;2.07,-50.19,;.74,-49.43,;3.41,-49.42,;4.74,-50.19,;3.41,-47.88,;4.74,-47.11,;2.07,-47.11,;3.39,-46.33,;15.39,-51.73,;16.72,-52.51,;18.06,-51.74,)|
CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:9.8,wD:12.15,(44.32,-36.77,;42.99,-36,;41.66,-36.77,;41.66,-38.31,;40.33,-36,;38.99,-36.76,;37.66,-35.99,;37.67,-34.45,;36.33,-33.67,;35,-34.44,;35,-35.98,;33.67,-36.74,;32.34,-35.98,;32.34,-34.44,;33.67,-33.66,;31.01,-36.75,;29.67,-35.98,;29.67,-34.44,;28.34,-36.76,;27.01,-35.99,;25.68,-36.76,;24.35,-36,;24.34,-34.45,;23.01,-33.68,;25.68,-33.68,;27.01,-34.45,;25.67,-32.14,;27.01,-31.37,;24.34,-31.37,;25.66,-30.59,;38.99,-33.68,;40.32,-34.45,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:8.7,wD:11.14,(40.21,-31.34,;40.22,-29.8,;41.55,-29.03,;38.88,-29.03,;37.54,-29.79,;36.21,-29.02,;36.22,-27.48,;34.89,-26.7,;33.55,-27.47,;33.55,-29.01,;32.22,-29.77,;30.89,-29.01,;30.89,-27.47,;32.22,-26.69,;29.56,-29.78,;28.23,-29.01,;28.22,-27.47,;26.89,-29.79,;25.56,-29.02,;24.24,-29.79,;22.9,-29.03,;22.89,-27.48,;21.56,-26.71,;24.23,-26.71,;25.56,-27.48,;24.23,-25.17,;25.56,-24.4,;22.89,-24.4,;24.21,-23.62,;37.55,-26.71,;38.88,-27.48,)|
CNC(=O)c1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r,wU:10.9,wD:13.16,(59.23,-22.43,;59.23,-20.89,;57.89,-20.12,;57.89,-18.58,;56.56,-20.89,;56.56,-22.44,;55.22,-23.21,;53.89,-22.43,;53.9,-20.89,;52.57,-20.12,;51.23,-20.88,;51.23,-22.42,;49.9,-23.19,;48.57,-22.42,;48.57,-20.88,;49.9,-20.11,;47.24,-23.2,;45.9,-22.43,;45.9,-20.89,;44.57,-23.2,;43.24,-22.43,;41.92,-23.2,;40.58,-22.44,;40.57,-20.89,;39.24,-20.13,;41.91,-20.12,;43.24,-20.89,;41.91,-18.58,;43.24,-17.81,;40.57,-17.81,;41.89,-17.03,;55.23,-20.13,)|
OC(=O)c1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r,wU:9.8,wD:12.15,(38.16,-18.44,;36.83,-17.67,;36.83,-16.13,;35.5,-18.44,;35.5,-19.99,;34.16,-20.76,;32.83,-19.98,;32.84,-18.44,;31.5,-17.67,;30.17,-18.43,;30.17,-19.97,;28.84,-20.74,;27.51,-19.97,;27.51,-18.43,;28.84,-17.66,;26.18,-20.75,;24.84,-19.98,;24.84,-18.44,;23.51,-20.75,;22.18,-19.98,;20.85,-20.75,;19.52,-19.99,;19.51,-18.44,;18.18,-17.68,;20.85,-17.67,;22.18,-18.44,;20.84,-16.13,;22.18,-15.36,;19.51,-15.36,;20.83,-14.58,;34.16,-17.68,)|
CN(C)C(=O)c1cc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wU:9.8,wD:12.15,(56.74,-18.18,;56.74,-16.64,;58.08,-15.87,;55.41,-15.86,;54.07,-16.63,;55.42,-14.32,;54.09,-13.55,;54.09,-12.01,;52.76,-11.24,;51.43,-12,;51.43,-13.54,;50.1,-14.3,;48.77,-13.54,;48.77,-12,;50.1,-11.22,;47.44,-14.31,;46.1,-13.55,;46.1,-12.01,;44.77,-14.32,;43.43,-13.55,;42.11,-14.32,;40.78,-13.56,;40.77,-12.01,;39.43,-11.24,;42.1,-11.24,;43.44,-12.01,;42.1,-9.7,;43.44,-8.93,;40.77,-8.93,;42.09,-8.15,;55.42,-11.24,;56.75,-12.01,;56.75,-13.56,)|
CNC(=O)c1cc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wU:8.7,wD:11.14,(37.86,-12.31,;37.86,-10.77,;36.53,-10,;36.53,-8.46,;35.19,-10.77,;33.86,-10.01,;32.53,-10.77,;31.2,-10,;29.87,-10.76,;29.87,-12.3,;28.54,-13.07,;27.21,-12.3,;27.21,-10.76,;28.54,-9.99,;25.87,-13.08,;24.54,-12.31,;24.54,-10.77,;23.21,-13.08,;21.87,-12.31,;20.55,-13.08,;19.22,-12.32,;19.21,-10.77,;17.87,-10.01,;20.54,-10,;21.88,-10.77,;20.54,-8.46,;21.87,-7.69,;19.21,-7.69,;20.53,-6.91,;32.53,-12.31,;33.86,-13.09,;35.19,-12.32,)|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Cc1cc(C2CCN(CC2)C(=O)Nc2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Cc1cc(C2CCN(CC2)C(=O)NC2CCCCC2)n(n1)-c1ccc(cc1)S(C)(=O)=O
CCCCNC(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(cc1)S(C)(=O)=O
CC(C)NC(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(cc1)S(C)(=O)=O
Cc1cc(C2CCN(CC2)C(=O)Nc2ccc(C)cc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
Cc1cc(C2CCN(CC2)C(=O)Nc2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
Cc1cc(C2CCN(CC2)C(=O)NC2CCCCC2)n(n1)-c1ccc(cc1)S(N)(=O)=O
CCCCNC(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(cc1)S(N)(=O)=O
CC(C)NC(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(cc1)S(N)(=O)=O
Cc1cc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2c(F)cccc2F)ccc1Cl
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2cccc(OCC(F)(F)F)c2)CC1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
OC1CCC(CC1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 |(25.3,-18.66,;24.54,-19.99,;25.31,-21.32,;24.56,-22.65,;23.03,-22.65,;22.23,-21.34,;23,-20,;22.27,-23.99,;23.04,-25.33,;20.73,-23.99,;19.95,-25.31,;18.42,-25.32,;17.65,-23.98,;16.87,-25.31,;15.36,-25,;15.19,-23.47,;16.61,-22.83,;13.86,-22.7,;13.86,-21.15,;12.52,-23.47,;11.19,-22.7,;9.86,-23.47,;8.53,-22.71,;8.53,-21.15,;7.18,-20.39,;7.18,-18.85,;7.17,-17.3,;8.52,-18.07,;5.84,-18.07,;9.86,-20.39,;11.2,-21.15,;18.41,-22.64,;19.96,-22.65,)|
CC1CC1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CCOC2)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CCOCC2)cc1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
Oc1ccc(F)c(c1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2(CC2)C(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccccc2Cl)cc1
Fc1ccccc1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Cc1cc(no1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)CC2CC2)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cccc3ncccc23)cc1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(Cl)cc2)CC1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CCCCC2)cc1
CC(C)(C)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccco2)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cnoc2C2CC2)cc1
Cc1cnc(cn1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
CCC(CC)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CC2(F)F)cc1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2cccc(c2)C(F)(F)F)CC1
Oc1cccc(CCC(=O)N2CCC3(CCN(C3)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cccc3nc[nH]c23)cc1
CCCCC(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(Cl)cc2Cl)CC1
COc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2c(F)cccc2F)cc1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22|
Cc1occc1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Fc1cccc(F)c1C(=O)N1CCC2(C1)CCN(CC2)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:27:25.24.30:31,THB:26:25:27.32.28:31,28:27:24:30.29.31,28:29:26.27.32:24|
Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(cc2)C#N)CC1
Fc1cccc(F)c1C(=O)N1CCC2(CCN(CC2)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:25:26:24.23.29:30,THB:25:24:26.31.27:30,27:26:23:29.28.30,27:28:25.26.31:23|
Oc1ccc(Nc2nc(cs2)-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:21:22:25.20.19:26,THB:21:20:27.22.23:26,19:20:23:27.18.26,19:18:23:21.25.20,16:18:23:21.25.20|
c1coc(c1)-c1nc2ccccc2o1
COC(=O)Nc1nc(c(C)s1)-c1ccccc1
O=C(NCCOc1ccccc1)C1CCCCC1
c1coc(c1)-c1nc2ccccc2[nH]1
CCCCNC(=O)Nc1ccc(cn1)C(N)=O
Oc1ccc(CC2=C(N=O)C3CCN2CC3)cc1 |c:6,(60.33,-4.83,;58.78,-4.86,;58.04,-6.21,;56.5,-6.24,;55.71,-4.92,;54.16,-4.95,;53.37,-3.63,;51.83,-3.65,;51.08,-5,;51.88,-6.32,;51.04,-2.34,;51.78,-.99,;53.32,-.95,;54.11,-2.28,;53.18,-1.54,;51.77,-1.54,;56.44,-3.57,;57.98,-3.54,)|
COc1ccc2c(c1)oc(cc2=O)C(F)(F)F
Nc1ccc2nc([nH]c2c1)-c1ccco1
COc1ccc(cc1)-c1cn2ccccc2n1
c1ccc2[nH]c(nc2c1)-c1cccnc1
O=C(CNC1C2CC3CC(C2)CC1C3)NOCc1ccccc1 |TLB:3:4:7.13.8:11,6:7:4.5.10:11,THB:8:7:4:10.9.11,8:9:4:6.7.13,6:5:7.13.8:11,(5.07,-23.98,;5.07,-22.44,;3.73,-21.67,;2.4,-22.44,;1.06,-21.66,;-.39,-22.1,;-1.29,-23.37,;-1.17,-21.62,;-2.12,-20.47,;-1.37,-19.25,;-1.4,-20.87,;.1,-18.83,;1.05,-20.02,;.18,-21.17,;6.4,-21.67,;7.73,-22.44,;9.07,-21.67,;10.4,-22.44,;10.4,-23.98,;11.73,-24.75,;13.07,-23.98,;13.07,-22.43,;11.73,-21.66,)|
O=C(NOC1CCCCO1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:12:13:16.22.17:20,15:16:13.14.19:20,THB:17:16:13:19.18.20,17:18:13:15.16.22,15:14:16.22.17:20,(61.25,-19.21,;61.25,-17.67,;62.58,-16.9,;63.92,-17.67,;65.25,-16.9,;65.24,-15.36,;66.58,-14.59,;67.92,-15.37,;67.91,-16.91,;66.58,-17.67,;59.91,-16.9,;59.91,-15.36,;58.58,-17.67,;57.25,-16.89,;55.8,-17.31,;54.88,-18.57,;55.03,-16.83,;54.1,-15.67,;54.86,-14.46,;54.81,-16.07,;56.32,-14.05,;57.25,-15.26,;56.37,-16.39,)|
CON(C)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:8:9:11.12.18:15.14.16,8:9:12.18.13:16,11:12:9.10.15:16,THB:13:12:9:15.14.16,13:14:9:11.12.18,11:10:12.18.13:16,(49.87,-17.13,;48.54,-17.9,;47.21,-17.13,;47.21,-15.59,;45.87,-17.9,;45.87,-19.44,;44.54,-17.13,;44.54,-15.59,;43.2,-17.9,;41.87,-17.13,;40.42,-17.55,;39.5,-18.81,;39.65,-17.06,;38.72,-15.9,;39.48,-14.69,;39.43,-16.31,;40.94,-14.28,;41.88,-15.49,;41,-16.63,)|
[O-][N+](=O)c1ccc(CONC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:21:20:24:17.16.15,21:16:24:20.22.19,THB:14:15:17:20.19.21,14:15:24:20.22.19,22:20:17:24.23.15,22:23:17:20.19.21,15:23:19:17.21.16,15:16:24.23.22:19,(26.07,-16.47,;26.07,-14.93,;27.4,-14.15,;24.72,-14.16,;23.38,-14.93,;22.05,-14.16,;22.05,-12.62,;20.71,-11.85,;19.38,-12.62,;18.05,-11.85,;16.72,-12.62,;16.72,-14.16,;15.38,-11.85,;15.38,-10.31,;13.92,-12.52,;12.58,-11.75,;11.15,-12.28,;10.07,-11.1,;10,-9.48,;9.33,-10.76,;10.34,-11.85,;10.34,-13.61,;11.67,-11.31,;12.46,-10.1,;11.42,-8.96,;23.38,-11.85,;24.71,-12.61,)|
O=C(NOc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:12:13:15.16.22:19.18.20,12:13:16.22.17:20,15:16:13.14.19:20,THB:17:16:13:19.18.20,17:18:13:15.16.22,15:14:16.22.17:20,(64.55,-5.84,;64.55,-4.3,;65.88,-3.53,;67.22,-4.3,;68.55,-3.53,;69.88,-4.31,;71.22,-3.54,;71.22,-1.99,;69.87,-1.22,;68.55,-2,;63.22,-3.53,;63.22,-1.99,;61.88,-4.3,;60.55,-3.53,;59.06,-3.83,;58.05,-5.01,;58.33,-3.29,;57.5,-2.05,;58.36,-.91,;58.18,-2.51,;59.84,-.61,;60.68,-1.89,;59.71,-2.96,)|
O=C(NOCc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.15.21:22,THB:17:16:18.23.19:22,19:18:15:21.20.22,19:20:17.18.23:15|
O=C(NCCCc1ccccc1)C(=O)NOCc1ccccc1
O=C(NOC1CCCCO1)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:24:25:23.28.22:29,THB:24:23:25.26.30:29,26:27:24.25.30:22,26:25:22:27.28.29|
O=C(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13|
O=C(NOCCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:14:15:17.18.24:21.20.22,14:15:18.24.19:22,17:18:15.16.21:22,THB:19:18:15:21.20.22,19:20:15:17.18.24,17:16:18.24.19:22,(63.57,-13.45,;63.57,-11.91,;64.91,-11.14,;66.25,-11.91,;67.58,-11.14,;68.92,-11.91,;70.25,-11.13,;71.58,-11.91,;72.91,-11.13,;72.91,-9.59,;71.56,-8.83,;70.24,-9.61,;62.24,-11.14,;62.24,-9.59,;60.9,-11.91,;59.56,-11.14,;58.16,-10.56,;56.65,-10.99,;57.85,-9.71,;57.84,-8.22,;59.19,-7.74,;58.15,-8.98,;60.59,-8.32,;60.58,-9.85,;59.18,-10.2,)|
CN(OCc1ccccc1)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:15.16.21:22,14:15:18.24.19:22,THB:17:16:18.24.19:22,19:18:15:21.20.22,19:20:15:17.18.24,(29.29,-15.01,;29.29,-16.55,;30.62,-17.32,;31.96,-16.55,;33.29,-17.32,;33.29,-18.86,;34.62,-19.63,;35.96,-18.86,;35.95,-17.31,;34.62,-16.55,;27.96,-17.32,;27.96,-18.87,;26.62,-16.55,;26.62,-15.01,;25.29,-17.32,;23.96,-16.55,;22.5,-16.97,;21.58,-18.23,;21.73,-16.49,;20.8,-15.33,;21.57,-14.12,;21.52,-15.73,;23.02,-13.71,;23.96,-14.91,;23.08,-16.05,)|
Clc1ccc(CONC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:15:16:13.14.19:20,12:13:15.16.22:19.18.20,12:13:16.22.17:20,THB:15:14:16.22.17:20,17:16:13:19.18.20,17:18:13:15.16.22,(55.39,-13.26,;54.06,-12.49,;52.72,-13.26,;51.39,-12.49,;51.39,-10.95,;50.06,-10.18,;48.72,-10.95,;47.39,-10.18,;46.06,-10.95,;46.06,-12.49,;44.72,-10.18,;44.72,-8.64,;43.39,-10.95,;42.05,-10.18,;40.65,-9.61,;39.15,-10.03,;40.35,-8.75,;40.34,-7.27,;41.69,-6.79,;40.65,-8.03,;43.08,-7.37,;43.07,-8.9,;41.67,-9.24,;52.72,-10.18,;54.05,-10.94,)|
COC(=O)c1ccc(CONC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:22:21:25:18.17.16,22:17:25:21.23.20,THB:15:16:25:21.23.20,16:24:20:18.22.17,16:17:25.24.23:20,(24.33,-20.76,;23,-20,;21.66,-20.77,;21.67,-22.31,;20.32,-20,;18.99,-20.77,;17.66,-20,;17.66,-18.46,;16.32,-17.69,;14.99,-18.46,;13.66,-17.69,;12.32,-18.46,;12.32,-20,;10.99,-17.69,;10.99,-16.15,;9.53,-18.36,;8.19,-17.58,;6.69,-17.88,;5.81,-16.56,;5.98,-14.94,;5.12,-16.1,;5.96,-17.34,;5.67,-19.08,;7.35,-17.01,;8.32,-15.93,;7.48,-14.65,;18.98,-17.69,;20.32,-18.45,)|
O=C(NCC12CC3CC(CC(C3)C1)C2)C(=O)NOCc1ccccc1 |TLB:7:8:6.5.11:12,THB:9:8:5:11.10.12,9:10:7.8.13:5,7:6:8.13.9:12|
O=C(NOCCCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:15:16:18.19.25:22.21.23,15:16:19.25.20:23,18:19:16.17.22:23,THB:20:19:16:22.21.23,20:21:16:18.19.25,18:17:19.25.20:23,(6.85,-17.9,;6.85,-16.36,;8.19,-15.59,;9.52,-16.36,;10.86,-15.59,;12.2,-16.36,;13.53,-15.58,;14.86,-16.36,;14.85,-17.9,;16.18,-18.67,;17.52,-17.9,;17.52,-16.35,;16.18,-15.59,;5.51,-15.59,;5.51,-14.04,;4.18,-16.36,;2.84,-15.58,;1.38,-15.98,;.43,-17.22,;.62,-15.48,;-.3,-14.3,;.5,-13.1,;.41,-14.71,;1.96,-12.71,;2.88,-13.94,;1.97,-15.06,)|
CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:23:21.26.20:27,THB:22:21:23.24.28:27,24:25:22.23.28:20,24:23:20:25.26.27|
CONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:19:20:18.23.17:24,THB:19:18:20.21.25:24,21:22:19.20.25:17,21:20:17:22.23.24|
CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:24:21.22.27:19,23:22:19:24.25.26|
CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:20:21:19.24.18:25,THB:20:19:21.22.26:25,22:23:20.21.26:18,22:21:18:23.24.25|
CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:24:21.22.27:19,23:22:19:24.25.26|
O=C(NOCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:16:17:14.15.20:21,13:14:17.23.18:21,THB:16:15:17.23.18:21,18:17:14:20.19.21,18:19:14:16.17.23,(46.47,-5.68,;46.47,-4.14,;47.81,-3.37,;49.14,-4.14,;50.48,-3.37,;51.81,-4.14,;51.81,-5.68,;53.14,-6.45,;54.48,-5.68,;54.47,-4.13,;53.14,-3.36,;45.14,-3.37,;45.14,-1.82,;43.8,-4.14,;42.47,-3.36,;41.02,-3.8,;40.11,-5.07,;40.24,-3.32,;39.3,-2.17,;40.05,-.95,;40.02,-2.57,;41.5,-.53,;42.45,-1.72,;41.59,-2.87,)|
CON(C)C(=O)C(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:20:21:19.24.18:25,THB:20:19:21.22.26:25,22:23:20.21.26:18,22:21:18:23.24.25|
O=C(NCc1ccc(NC(=O)C(=O)NOC2CCCCO2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:27:28:26.25.31:32,THB:27:26:28.33.29:32,29:28:25:31.30.32,29:30:27.28.33:25|
CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:24:22.21.27:28,THB:23:22:24.29.25:28,25:24:21:27.26.28,25:26:23.24.29:21|
O=C(NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:25:22.23.28:20,24:23:20:25.26.27|
CONC(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:20:21:19.18.24:25,THB:20:19:21.26.22:25,22:21:18:24.23.25,22:23:20.21.26:18|
CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:22:19:25.24.26,23:24:21.22.27:19|
CON(C)C(=O)C(=O)N(C)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:24:21.22.27:19,23:22:19:24.25.26|
CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)Cc3ccccn3)C2)cc1
COc1ccccc1CC(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3(CC3)c3ccccc3)C2)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3CCCCC3)C2)cc1
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)CC3CC3)C2)cc1
CC(C)(C)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc4NC(=O)Cc4c3)C2)cc1
Cc1cnc(cn1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cc(Cl)ccn3)C2)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cn[nH]c3C3CC3)C2)cc1
FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cnoc3C3CC3)C2)cc1
Cc1cc(no1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)C2)cc1
CC(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)C2)cc1
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cccc(Cl)c3)C2)cc1
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccc3Cl)C2)cc1
Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Fc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Fc1cccc(F)c1C(=O)N1CCC2(CCCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccn3)C2)cc1
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccco3)C2)cc1
FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccc3)C2)cc1
Fc1cccc(F)c1C(=O)N1CCCC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
Fc1cccc(F)c1C(=O)N1CCOC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
OC(=O)Cc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
OC(=O)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1nnn[nH]1 |r|
OC(=O)Cc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
OC(=O)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
OC(=O)c1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
OC(=O)c1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1ccccc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cccc(c1)-c1ccccc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1-c1ccccc1 |r|
COc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
COc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
COc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
FC(F)(F)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
FC(F)(F)c1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
FC(F)(F)c1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Cc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Cc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Cc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Clc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Clc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Clc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)OC(c1ccccc1)c1ccccc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cnccn1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ncccn1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccncc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cccnc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccn1 |r|
c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4
OC12CC3CC(C1)C(NC(=O)c1cnc(N[C@H]4CCOC4)nc1C1CCCC1)C(C3)C2 |r,wU:16.16,TLB:6:1:7.5.4:29,8:7:29:30.1.2,THB:6:5:29:30.1.2,2:1:7:4.3.29,2:3:7:30.6.1,0:1:7:4.3.29,0:1:7.5.4:29,(20.37,-5.54,;18.83,-5.58,;18.87,-4.05,;17.47,-3.44,;16.41,-4.66,;16.39,-6.25,;17.79,-6.84,;14.89,-6.64,;13.56,-7.41,;12.22,-6.65,;12.22,-5.11,;10.89,-7.42,;9.55,-6.66,;8.23,-7.43,;8.22,-8.97,;6.89,-9.74,;5.56,-8.97,;4.15,-9.59,;3.12,-8.45,;3.89,-7.11,;5.39,-7.43,;9.56,-9.74,;10.9,-8.97,;12.17,-9.84,;12.21,-11.38,;13.69,-11.81,;14.56,-10.54,;13.62,-9.32,;16.1,-5.39,;16.12,-3.89,;17.42,-5.9,)|
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(19.83,-18.54,;18.29,-18.57,;18.33,-17.04,;16.94,-16.44,;15.88,-17.65,;15.85,-19.24,;17.26,-19.83,;14.35,-19.63,;13.02,-20.41,;11.69,-19.64,;11.68,-18.1,;10.36,-20.42,;9.12,-19.49,;7.86,-20.38,;6.41,-19.88,;5.25,-20.89,;3.79,-20.39,;4.29,-18.93,;2.78,-19.23,;2.63,-21.4,;1.47,-22.41,;8.32,-21.85,;9.86,-21.88,;10.75,-23.13,;10.88,-24.66,;12.14,-23.78,;15.57,-18.38,;15.58,-16.89,;16.89,-18.89,)|
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1[C@H]1CCCO1)C(C3)C2 |r,wU:1.0,wD:7.8,23.25,TLB:8:7:29:30.1.2,6:1:7.5.4:29,THB:6:5:29:30.1.2,2:1:7:4.3.29,2:3:7:30.6.1,0:1:7:4.3.29,0:1:7.5.4:29,(41.98,-39.31,;40.44,-39.34,;40.47,-37.81,;39.08,-37.21,;38.02,-38.42,;38,-40.01,;39.4,-40.6,;36.5,-40.4,;35.17,-41.18,;33.83,-40.41,;33.82,-38.87,;32.5,-41.19,;31.27,-40.26,;30.01,-41.15,;28.55,-40.65,;27.22,-41.43,;25.89,-40.66,;24.57,-41.43,;24.57,-42.97,;25.91,-43.74,;27.24,-42.97,;30.46,-42.62,;32,-42.64,;32.88,-43.9,;32.39,-45.36,;33.62,-46.28,;34.88,-45.4,;34.43,-43.92,;37.71,-39.15,;37.73,-37.66,;39.03,-39.66,)|
C[C@H](C1CC1)NC(=O)Nc2ccccc2
c1csc(n1)NC(=O)CC2CCCC2
C[C@@H]1CN=C(S1)NCCc2ccccc2
Cn1cc(cn1)c2[nH]c3ccccc3n2
c1cc2c(cc1C(F)(F)F)sc(n2)N
c1cc(ccc1Cc2cnc(s2)N)Br
CN1C(=C(C(=O)NC1=O)N2CCCCC2)N
c1ccc(cc1)CN2CC(=O)Nc3c2cccc3
Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N
c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3
O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O |r|
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O |r|
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O |r|
c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c12 |r|
COC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c12 |r|
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
O=C(NCCNC(=O)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,21:22:25:29.28.27,THB:11:12:15:19.10.18,11:10:13.12.17:15,23:24:27:31.22.30,23:22:25.24.29:27,18:10:13:17.16.15,18:16:13:19.11.10,30:22:25:29.28.27,30:28:25:31.23.22|
O=C(NCCCCNC(=O)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 |TLB:11:12:15:19.18.17,23:24:27:31.30.29,THB:13:14:17:21.12.20,13:12:15.14.19:17,25:26:29:33.24.32,25:24:27.26.31:29,20:12:15:19.18.17,20:18:15:21.13.12,32:24:27:31.30.29,32:30:27:33.25.24|
O=C(NCCCCCCNC(=O)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,25:26:29:33.32.31,THB:15:16:19:23.14.22,15:14:17.16.21:19,27:28:31:35.26.34,27:26:29.28.33:31,22:14:17:21.20.19,22:20:17:23.15.14,34:26:29:33.32.31,34:32:29:35.27.26|
O=C(NCCCCCCCCNC(=O)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19:23.22.21,27:28:31:35.34.33,THB:17:18:21:25.16.24,17:16:19.18.23:21,29:30:33:37.28.36,29:28:31.30.35:33,24:16:19:23.22.21,24:22:19:25.17.16,36:28:31:35.34.33,36:34:31:37.29.28|
O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:24:27:31.30.29,3:4:7:11.10.9,THB:25:26:29:33.24.32,25:24:27.26.31:29,5:6:9:13.4.12,5:4:7.6.11:9,32:24:27:31.30.29,32:30:27:33.25.24,12:4:7:11.10.9,12:10:7:13.5.4|
O=C(NCC1CCN(CC1)C(=O)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17.16.21:19,25:26:29:33.32.31,21:16:23:22.20.19,21:20:23:17.16.15,THB:27:28:35.34.26:31,27:26:28.29.33:31,34:26:29:33.32.31,34:32:29:35.27.26,15:16:23.22.14:19,15:14:17.16.21:19|
O=C(NCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:20:11:18:14.16.15,31:22:29:26.25.27,THB:20:15:12.11.19:18,21:22:29:26.25.27,16:17:12:20.14.15,16:15:12:17.19.18,23:22:25.29.24:27,23:24:31.30.22:27,10:11:18:14.16.15,31:26:23.30.22:29|
CC(NC(=O)NCCCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:33:32:35:27.29.28,33:28:35:31.32.34,19:20:17.18.23:24,THB:21:20:17:23.22.24,21:22:17:19.20.25,19:18:21.20.25:24,31:30:27:33.32.34,31:32:27:30.35.29|
CCC(CNC(=O)NCCCCNC(=O)NCC(CC)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:33:34:38:31.37.32,37:36:33.31.32:39,37:32:39:38.36.35,17:20:22.23.27:25,THB:33:32:38:34.39.35,21:20:22.23.27:25,21:22:25:20.28.29,28:26:23:21.20.29,28:20:23:26.27.25,17:20:23:26.27.25|
O=C(NCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:16.22.17:23,22:21:24:16.18.17,22:17:24:21.20.23,29:30:34:27.33.28,THB:18:17:23:24.20.19,29:28:34:30.31.35,31:30:27:34.33.32,31:32:27:30.29.35|
CC(NC(=O)NCCCCCCCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:18:20:23:26.27.25,29:20:27:23.24.25,33:34:38:31.32.37,THB:29:24:27:20.21.28,35:36:31:39.33.34,35:34:31:38.36.37,33:32:38:39.34.35,28:20:23:26.27.25,28:26:23:20.21.29|
CCC(CNC(=O)NCCCCCCCCNC(=O)NCC(CC)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:33:24:31:27.29.28,41:40:43:37.35.36,41:36:43:40.42.39,THB:33:28:25.24.32:31,29:30:25:33.27.28,29:28:25:30.32.31,21:24:31:27.29.28,35:36:39:43.42.34,35:34:37.36.41:39|
O=C(Nc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14.13.18:16,10:11:18:14.16.15,20:11:18:14.16.15,23:24:26.27.31:29,33:24:31:27.29.28,THB:20:15:18:12.19.11,12:13:16:20.19.11,12:11:14.13.18:16,33:28:24.25.32:31,25:24:26.27.31:29,25:26:24.32.33:29|
CC(NC(=O)Nc1ccc(NC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:14:16:19:23.22.21,1:28:31:35.34.33,THB:17:18:21:25.16.24,17:16:19.18.23:21,29:30:33:37.28.36,29:28:31.30.35:33,24:16:19:23.22.21,24:22:19:25.17.16,36:28:31:35.34.33,36:34:31:37.29.28|
O=C(NCCCCNC(=O)NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3 |TLB:20:19:17:13.15.14,10:11:17.16.18:13.14.20,21:22:24:27.26.28,THB:15:16:11:13.14.20,15:14:11:17.16.18,29:30:24:27.26.28,29:27:24:30.31.22,22:30:26:24.23.28,22:23:26:30.31.29,20:14:17:11.19.18,10:11:17:13.15.14,(24.48,-21.44,;24.51,-19.9,;23.19,-19.1,;21.86,-19.87,;20.52,-19.1,;19.19,-19.87,;17.86,-19.1,;16.53,-19.87,;15.19,-19.1,;15.19,-17.56,;13.86,-19.88,;12.52,-19.12,;11.32,-20.07,;10.17,-19.2,;9.72,-17.87,;7.97,-17.75,;9.24,-18.64,;9.7,-20.09,;10.47,-17.64,;12.08,-17.67,;10.87,-16.93,;25.86,-19.15,;27.17,-19.94,;27.15,-21.46,;26.19,-22.68,;27.83,-22.07,;29.2,-22.64,;30.14,-21.59,;28.61,-22.07,;30.15,-20.07,;28.73,-19.5,;27.88,-20.66,)|
O=C(NCCCCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:21:17.19.18,25:26:28:31.30.32,14:15:21.20.22:17.18.24,THB:24:18:21:15.23.22,33:34:28:31.30.32,33:31:28:34.35.26,26:34:30:28.27.32,26:27:30:34.35.33,14:15:21:17.19.18,19:20:15:17.18.24,19:18:15:21.20.22,(30.44,-12.61,;30.47,-11.07,;29.15,-10.27,;27.82,-11.05,;26.49,-10.27,;25.16,-11.05,;23.82,-10.27,;22.48,-11.05,;21.15,-10.27,;19.82,-11.05,;18.49,-10.27,;17.16,-11.04,;15.82,-10.28,;15.82,-8.74,;14.49,-11.05,;13.15,-10.29,;11.96,-11.24,;10.81,-10.38,;10.36,-9.04,;8.61,-8.92,;9.88,-9.82,;10.33,-11.27,;11.11,-8.82,;12.72,-8.84,;11.51,-8.1,;31.81,-10.33,;33.12,-11.12,;33.1,-12.63,;32.15,-13.86,;33.78,-13.24,;35.15,-13.82,;36.1,-12.76,;34.56,-13.25,;36.1,-11.25,;34.69,-10.68,;33.83,-11.83,)|
CCCCCNC(=O)NCCCC/C=C/CCCCCCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]
CCCCCNC(=O)NCCCC/C=C/CCCCCCP(=O)([O-])[O-]
CCCCCNC(=O)NCCCC/C=C/CCCCCCS(=O)(=O)[O-]
CCCCCNC(=O)NCCCC\C=C/CCCCC[S+]([O-])c1ncn[nH]1
CCCCNC(=O)C(=O)NCCCC\C=C/CCCCCCc1noc(=S)[nH]1
Fc1ccc(cc1)S(=O)(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 |r|
CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 |r|
CN1CCN(CC1)C(=O)N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 |r|
O=C(N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1)N1CCCCC1 |r|
OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2[C@@H]([C@@H]2c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r|
c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5
C[C@@H]1[C@H](NC(=O)N2CCC(CC2)Oc2ccc(CCC(O)=O)cc2)[C@H]1c1ccccc1 |r|
C[C@H]1[C@H](NC(=O)N2CCC(CC2)Oc2ccc(CCC(O)=O)cc2)[C@H]1c1ccccc1 |r|
CC1(C)[C@H](NC(=O)N2CCC(CC2)Oc2ccc(CCC(O)=O)cc2)[C@H]1c1ccccc1 |r|
OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Cc1ccc(s1)CNCCc2ccccc2F
c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O
c1c(c(nn1CC(=O)O)C2CC2)Br
CC(C)(C)OC(=O)NC1CNc2ccccc2C1
Oc1cnn(c1)-c1cccc(c1)C(F)(F)F
c1cc(c(nc1)N2CCNCC2)C(F)(F)F
CNCc1cccc(c1)-c1cccnc1
Cn1ccc(n1)CNCCc2ccccc2
CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 |r|
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
CCC(C)C(=O)N1CCC(CC1)NC(=O)N[C@H]1CC[C@H](CC)CC1 |r,wU:16.16,wD:19.20,(21.72,-50.53,;20.39,-49.76,;20.39,-48.22,;19.05,-47.45,;21.72,-47.45,;21.72,-45.91,;23.06,-48.22,;24.38,-47.45,;25.72,-48.22,;25.72,-49.76,;24.38,-50.53,;23.06,-49.76,;27.06,-50.53,;28.39,-49.76,;29.72,-50.53,;28.39,-48.22,;29.72,-47.45,;29.72,-45.91,;31.06,-45.14,;32.39,-45.91,;33.72,-45.14,;35.06,-45.91,;32.39,-47.45,;31.06,-48.22,)|
CCC(C)C(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1
CCC(C)C(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(C)(C)C
CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(C)C
CC(C)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
[H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(C)cc12 |r|
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1(O)c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
CCOP(=O)(OCC)C(Nc1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:23:22:19:25.24.26,23:24:21.22.27:19|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1)C(C)(C)C
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
CCOP(=O)(OCC)C(Nc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
CCOP(=O)(OCC)C(Nc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
CCOP(=O)(OCC)C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)c2ccc3cc(O)ccc3c2)cc1)C(C)(C)C
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C2CCc3ccccc3C2)cc1)C(C)(C)C
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1)C(C)(C)C
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C2CCCCC2)cc1)C(C)(C)C
CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCc1ccccc1)OCc1ccccc1 |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
CC(C)COP(=O)(OCC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:30:25:32:29.28.31,30:29:32:26.25.24,THB:28:27:24:30.29.31,28:29:26.27.32:24|
CCCCOP(=O)(OCCCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:30:25:32:29.28.31,30:29:32:26.25.24,THB:28:27:24:30.29.31,28:29:26.27.32:24|
CC(C)OP(=O)(OC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:28:23:30:27.26.29,28:27:30:24.23.22,THB:26:25:22:28.27.29,26:27:24.25.30:22|
CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
CC(C)(C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCc1ccccc1)OCc1ccccc1 |TLB:21:16:23:20.19.22,21:20:23:17.16.15,THB:12:14:17.16.21:19,15:14:17.16.21:19,15:16:19:14.23.22|
CC(C)COP(=O)(OCC(C)C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:20:22:25.24.29:27,23:22:25.24.29:27,23:24:27:22.31.30|
CCCCOP(=O)(OCCCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:20:22:25.24.29:27,23:22:25.24.29:27,23:24:27:22.31.30|
CC(C)OP(=O)(OC(C)C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:27:22:29:26.25.28,27:26:29:23.22.21,THB:18:20:23.22.27:25,21:20:23.22.27:25,21:22:25:20.29.28|
CC(C)(C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F |TLB:21:16:23:20.19.22,21:20:23:17.16.15,THB:12:14:17.16.21:19,15:14:17.16.21:19,15:16:19:14.23.22|
CCOP(=O)(OCC)C(CC(C)(C)C)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:25:32:29.28.31,30:29:32:26.25.24,THB:21:23:26.25.30:28,24:23:26.25.30:28,24:25:28:23.32.31|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCCC(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC)OCC |TLB:20:15:22:19.18.21,20:19:22:16.15.14,THB:11:13:16.15.20:18,14:13:16.15.20:18,14:15:18:13.22.21|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CC1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)c1ccccc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccncc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C#N |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C(=O)OC |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OC)cc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C(C)(C)C |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C)cc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1 |r|
COc1c(O)c2C(=O)c3c(OC)c(O)c(C)cc3C(=O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(OC)c(C(C)=O)c(O[C@H]3OC[C@@](O)(CO)[C@@H]3O)cc2c1 |r|
COc1cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c(OC)c1OC
COc1cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c(O)c1OC
COc1ccc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c1O
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(cc2c1)oc(C)cc3=O |r|
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)cc2C(=O)c3cccc(O)c3C(=O)c12 |r|
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(cc(C)oc3=O)cc2c1 |r|
Cc1ccc(cc1)-c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)no1 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:21:20:17:23.22.24,21:22:19.20.25:17|
COc1ccc(cc1)-c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)no1 |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
O=C(NCc1cc(on1)-c1ccco1)NCC12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:21:20:17:23.22.24,21:22:19.20.25:17|
Cc1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:17:12:19:16.15.18,17:16:19:13.12.11,THB:15:14:11:17.16.18,15:16:13.14.19:11|
CCc1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12|
CC(C)c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:19:14:21:18.17.20,19:18:21:15.14.13,THB:17:16:13:19.18.20,17:18:15.16.21:13|
Fc1cccc(c1)-c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:21:20:17:23.22.24,21:22:19.20.25:17|
Fc1ccc(cc1)-c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:21:20:17:23.22.24,21:22:19.20.25:17|
CC(C)c1cc(CN(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)no1 |TLB:20:15:22:19.18.21,20:19:22:16.15.14,THB:18:17:14:20.19.21,18:19:16.17.22:14|
Cc1cc(no1)C1CCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
CC(C)c1cc(no1)C1CCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
CC(C)c1cc(CN(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:20:15:22:19.18.21,20:19:22:16.15.14,THB:18:17:14:20.19.21,18:19:16.17.22:14|
Cc1cc(on1)C1CCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
Cc1ccc(cc1)-c1cc(CNC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)no1 |TLB:24:22:26:17.18.16,24:17:26:21.22.25,20:19:22.25.24:16,23:22:26:17.18.16,23:22:19.26.18:16,THB:21:19:22.25.24:16,21:22:19.26.18:16|
COc1ccc(cc1)-c1cc(CNC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)no1 |TLB:25:23:27:18.19.17,25:18:27:22.23.26,21:20:23.26.25:17,24:23:27:18.19.17,24:23:20.27.19:17,THB:22:20:23.26.25:17,22:23:20.27.19:17|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)NCc1cc(on1)-c1ccco1 |TLB:4:5:11:3.2.10,4:3:11:7.5.8,6:5:11:3.2.10,6:5:1.11.2:10,7:1:5.8.4:10,THB:0:1:5.8.4:10,7:5:1.11.2:10|
Cc1cc(CNC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)on1 |TLB:18:16:20:11.12.10,18:11:20:15.16.19,14:13:16.19.18:10,17:16:20:11.12.10,17:16:13.20.12:10,THB:15:13:16.19.18:10,15:16:13.20.12:10|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)NCc1cc(no1)-c1cccc(F)c1 |TLB:4:5:11:3.2.10,4:3:11:7.5.8,6:5:11:3.2.10,6:5:1.11.2:10,7:1:5.8.4:10,THB:0:1:5.8.4:10,7:5:1.11.2:10|
OC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
OC(=O)c1cccc(c1)-c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
FC(F)(F)c1ccccc1CNC(=O)c1ccc(cc1)-c1nnn[nH]1
CON(C)C(=O)\C=C\c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
CON(C)C(=O)C1CC1c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
CCOC(=O)C(\CC)=C\c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
CCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
CC\C(=C/c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
CCOC(=O)C(\CC)=C\c1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F
CCOC(=O)C(CC)Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F
CCC(Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
CC\C(=C/c1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
CCOC(=O)CCc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
OC(=O)CCc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
CCOC(=O)C(C)Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
CC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
CCCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(=O)OCC
CCCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
CCOC(=O)C(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)c1ccccc1
OC(=O)C(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)c1ccccc1
OC(=O)C1CC1c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1C
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1Cl
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1Br
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1OC(F)(F)F
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)C(F)(F)F
CCC(Cc1ccc(cc1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1
CCC(Cc1ccc(cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1)C(O)=O
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(OC)cc1
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
CCC(Cc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1)C(O)=O
CCC(Cc1ccc(cc1)C(=O)NCc1ccc(Oc2ccccc2)cc1)C(O)=O
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F
CCC(Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F)C(O)=O
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
C[C@@H](NC(=O)NCCCc1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r|
C[C@H](NC(=O)NCCCc1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r|
CCC(C)NC(=O)NCCCc1ccccc1
CC[C@H](C)NC(=O)NCCCc1ccccc1 |r|
O=C(NCCCc1ccccc1)N1CCC[C@@H]1c1ccccc1 |r|
O=C(NCCCc1ccccc1)N1CCC[C@H]1c1ccccc1 |r|
O=C(NCCCc1ccccc1)N[C@@H]1CCCc2ccccc12 |r|
O=C(NCCCc1ccccc1)N[C@H]1CCCc2ccccc12 |r|
O=C(NCCCc1ccccc1)N[C@@H]1CCc2ccccc12 |r|
O=C(NCCCc1ccccc1)N[C@H]1CCc2ccccc12 |r|
C[C@@H](NC(=O)NCCCc1ccccc1)c1cccc2ccccc12 |r|
C[C@H](NC(=O)NCCCc1ccccc1)c1cccc2ccccc12 |r|
CC[C@@H](NC(=O)NCCCc1ccccc1)c1ccccc1 |r|
CC[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1 |r|
C[C@@H](NC(=O)NCCCc1ccccc1)C1CCCCC1 |r|
C[C@H](NC(=O)NCCCc1ccccc1)C1CCCCC1 |r|
OC[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1 |r|
OC[C@@H](NC(=O)NCCCc1ccccc1)c1ccccc1 |r|
C[C@@H](NC(=O)NCCCc1ccccc1)c1ccccc1 |r|
C[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1 |r|
O=C(NCCCc1ccccc1)NCc1ccccc1
CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(cc2)C(N)=O)c(Cl)c1
CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(NC(N)=O)cc2)c(Cl)c1
CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(cc2)C(C)=O)c(Cl)c1
[#6]-[#7]-1-[#6](=O)\[#6](=[#6]/[#6]=[#6](/[#6])-[#6])-c2ccccc-12
[#6]-[#7]-1-[#6](=O)\[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c2ccccc-12
[#6]\[#6](-[#6])=[#6]/[#6]=[#6]-1/[#6](=O)-[#7]-c2ccccc-12
COc1ccc(\C=C\C(=O)OCC(=O)Cc2ccc(O)c(O)c2)cc1O
COc1ccc(\C=C\C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1O
COc1cc(ccc1O)/C=C/C(=O)OC
O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:2.25,4.22,wD:1.0,7.8,4.4,(-1.06,-23.53,;-1.06,-21.99,;.29,-21.22,;.29,-19.66,;-1.06,-18.89,;.22,-18.03,;-2.39,-19.66,;-2.39,-21.22,;-3.73,-21.99,;-3.73,-23.53,;-2.39,-24.3,;-5.06,-24.3,;-5.06,-25.84,;-6.39,-26.61,;-7.73,-25.84,;-9.06,-26.61,;-9.06,-28.15,;-10.39,-28.92,;-7.72,-28.92,;-7.71,-30.46,;-6.39,-28.15,;-1.91,-17.6,;-.95,-16.4,;-3.45,-17.53,;1.62,-21.99,;1.61,-23.53,;.28,-24.3,;2.95,-24.3,;2.94,-25.84,;4.27,-26.62,;4.26,-28.16,;5.59,-28.93,;6.93,-28.16,;8.26,-28.93,;6.93,-26.61,;8.26,-25.84,;5.6,-25.85,)|