881 SMILES Strings for Peptidyl-prolyl cis-trans isomerase FKBP1A

Compound Name
SMILES String
CCCCC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC |r|
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1 |r|
O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)C1CCCCC1 |r|
O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)c1ccccc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1c(F)c(F)c(c(F)c1F)C(F)(F)F |r|
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccc(O)cc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCCc1ccccc1 |r|
CCCCC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCc1ccccc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1cccnc1 |r|
CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1 |r|
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 |r|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.31|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(C)cc3C21 |TLB:14:16:18.19.20:24.34.22|
COc1cccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc12 |TLB:14:13:9.10.11:32.7.30|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(Cl)cc3C21 |TLB:14:16:18.19.20:24.34.22|
COc1ccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3c(Cl)cccc3C21 |TLB:14:16:18.19.20:24.34.22|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(Cl)ccc3C21 |TLB:14:16:18.19.20:24.34.22|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cccc(F)c3C21 |TLB:14:16:18.19.20:24.34.22|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccccc3C21 |TLB:14:16:18.19.20:24.33.22|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(F)cc3C21 |TLB:14:16:18.19.20:24.34.22|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
COc1cc(OC)cc(c1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:12:14:16.17.18:22.35.20|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccc(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.29|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(F)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
CCc1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:10:12:14.15.16:20.33.18|
COc1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:10:12:14.15.16:20.33.18|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4O)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccc(Cl)c4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)cc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
CCN(CC)c1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:13:15:17.18.19:23.36.21|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(Cl)ccc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.34|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(O)c4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1cc2CCN3C(C4CCCC(N4C(=O)Cc4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(F)(F)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.32|
COc1cc2CCN3CC4CCCC(C3c2c(OC)c1)N4C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1 |TLB:21:20:12.11.10:7.14.8|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccs4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccnc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccncc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccco4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc5ccccc5[nH]4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.28|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(Br)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)C#N)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(C)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.30|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(C)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.32|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
CCc1ccc(cc1)S(=O)(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:8:11:13.14.15:19.32.17|
COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Nc5cc(OC)c(OC)c(OC)c5)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.37|
COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4C)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4OC)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccc(cc4)[N+]([O-])=O)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccc(F)cc4F)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
COc1ccc2C3C4CCCC(N4S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)C(=O)N3CCc2c1 |r,TLB:13:12:8.9.10:26.6.24|
COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(F)c(F)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:27.6.25|
COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(F)nc4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:26.6.24|
COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(OC)nc4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:27.6.25|
COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)c(F)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:28.6.26|
COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(Cl)nc4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:26.6.24|
COc1ccc2C3C4CCCC(N4S(=O)(=O)N4CCCCC4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:24.6.22|
COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)cc4F)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:28.6.26|
COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(nc4)N4CCOCC4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29|
COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29|
COc1cc(OC)cc(c1)N1C=C2C3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)N2CC1=O |t:12,TLB:19:18:14.15.16:37.12.35|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
CCO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:34,t:49,51,53|
CCO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:34,t:49,51,53|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)SC)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)SC)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)NC(=O)OC)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)NC(=O)OC)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc(OC)cc2OC)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc(OC)cc2OC)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2c(OC)cc(OC)cc2OC)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccco2)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccco2)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc[nH]2)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc[nH]2)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\CC[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O |c:14,33,t:29,31|
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=CC=C(C)C(=O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O |w:31.30,33.32,c:14,t:29|
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CCc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCc1ccccc1
O=C(NCCCc1ccccc1)C1CCCN1S(=O)(=O)CCc1ccccc1
O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)CCc1ccccc1
O=C(NCCCc1ccccc1)C1CCCN1C(=O)NC1CCCCC1
CCCCNC(=O)C1CCCN1C(=O)Nc1ccccc1CC
O=C(NCCCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
CCCCNC(=O)C1CCCN1S(=O)(=O)CCc1ccccc1
Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCc1ccccc1
CCc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCCCc1ccccc1
O=C(NCCCc1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1
O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
CCc1ccccc1NC(=O)N1CCCC1C(=O)NCCCc1ccccc1
O=C(NCCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
CCCCNC(=O)C1CCCCN1S(=O)(=O)\C=C\c1ccccc1
O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)\C=C\c1ccccc1
CCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
O=C(NCCc1ccccc1)C1CCCN1C(=O)NC1CCCCC1
O=C(NCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
CCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1
CCCCNC(=O)C1CCCN1S(=O)(=O)c1ccccc1
O=C(NCCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCCCc1ccccc1
CCc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCCc1ccccc1
O=C(NCCc1ccccc1)C1CCCN1C(=O)NCc1ccccc1
O=C(NCCc1ccccc1)C1CCCCN1S(=O)(=O)\C=C\c1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc(OC)cc1
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc2ccccc2c1
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1cccnc1
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cccnc1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
CCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC([C@H](C)C[C@H]2OC)C(=O)C(=O)N2CCCCC2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:3|
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccc2OCOc2c1
Fc1ccc(NS(=O)(=O)N2CCCCC2)cc1
Cc1ccc(SCC(=O)N2CCOCC2)cc1
FC(F)(F)c1cccc(Cn2c(nc3ccccc23)-c2cscn2)c1
Cc1ccc(cc1)-c1ccc(OCC(=O)N2CCOCC2)cc1
Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)OCc1ccccc1
Cc1cc(C)cc(NS(=O)(=O)N2CCCCC2)c1
COc1ccc(OCC(=O)N2CCOCC2)cc1
CC1CN(CC(C)O1)C(=O)COc1ccccc1Cl |w:1.0,5.5|
Fc1ccc(OCC(=O)N2CCOCC2)cc1
CSc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
Fc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
CC1CN(CC(C)O1)C(=O)CSc1ccccc1 |w:1.0,5.5|
Clc1cc(Cl)cc(NS(=O)(=O)N2CCCCC2)c1
CC(C)c1ccc(SC(F)(F)C(=O)N2CCOCC2)cc1
Cc1cc(C)c(C)c(OCC(=O)N2CCOCC2)c1
Nc1nc(cs1)-c1nc2ccccc2[nH]1
OC(=O)c1ccccc1SCC(=O)N1CCOCC1
CC(C)c1ccc(SCC(=O)N2CCOCC2C(O)=O)cc1 |w:16.17|
Cc1cc(ccc1OCC(=O)N1CCOCC1)S(=O)(=O)N1CCCC1
Cc1ccc(cc1)S(=O)(=O)CC(=O)N1CCOCC1
Cc1nnc(SCC2=NOCC2)n1-c1ccccc1 |t:7|
CCOc1ccc(NS(=O)(=O)N2CCCCC2)cc1
CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
COc1ccc(CCC(=O)N2CCOCC2)cc1
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1
CCc1ccc(OCC(=O)N2CCOCC2)cc1
Brc1ccc(NS(=O)(=O)N2CCCCC2)cc1
O=C(COc1ccc2OCOc2c1)N1CCOCC1
N#Cc1ccccc1Cn1c(nc2ccccc12)-c1cscn1
O=C(COc1ccc(NC(=O)c2cccnc2)cc1)N1CCOCC1
Clc1ccc(OCC(=O)N2CCOCC2)c(Cl)c1
OC(=O)c1cc(ccc1SCC(=O)N1CCOCC1)C(F)(F)F
COC(=O)C1COCCN1C(=O)CS(=O)(=O)c1ccc(cc1)C(C)C |w:4.3|
CC(C)c1ccc(OCC(=O)N2CCOCC2)cc1C
Fc1ccccc1OCC(=O)N1CCOCC1
Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1Cl
Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2
Cc1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl
COc1cc2c(cc1NS(=O)(=O)N1CCCCC1)oc1ccccc21
COc1cc(CNCc2cccs2)ccc1OCC(=O)N1CCOCC1
O=C(CSc1ccccc1)N1CCOCC1
Clc1cccc(NC(=O)c2ccccc2OCC(=O)N2CCOCC2)c1Cl
Cc1ccc(OCC(=O)N2CCOCC2)cc1C
CC(C)c1ccc(cc1)S(=O)(=O)CC(=O)N1CCOCC1C(=O)OCCCc1ccc[n+]([O-])c1 |w:20.22|
Cc1cc(N)cc(C)c1OCC(=O)N1CCOCC1
C(c1ccc(cc1)-c1nnn[nH]1)n1c(nc2ccccc12)-c1cscn1
O=C(COc1ccc(cc1)S(=O)(=O)NC1CCCC1)N1CCOCC1
O=S(=O)(Nc1ccc2c(c1)oc1ccccc21)N1CCCCC1
O=C(COc1ccccc1)N1CCOCC1
CC(C)c1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl
CC(C)c1ccc(SCC(=O)N2CCOCC2C(=O)OCCCc2cccnc2)cc1 |w:16.17|
Clc1cc(Cl)c(OCC(=O)N2CCOCC2)cc1Cl
O=C(CSc1cccc2cccnc12)N1CCOCC1
O=C(CCc1ccccc1)N1CCOCC1
CC(C)c1ccccc1OCC(=O)N1CCOCC1
CC(C)c1ccc(C)cc1OCCNC(=O)c1ccccc1OCC(=O)N1CCOCC1
[O-][N+](=O)c1ccc(NS(=O)(=O)N2CCCCC2)cc1
Cc1cc(C)c(OCC(=O)N2CCOCC2)c(C)c1
Cc1cc(Cl)ccc1OCC(=O)N1CCOCC1
Fc1ccccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
Cc1ccc(NS(=O)(=O)N2CCCCC2)c(C)c1
c1nc(cs1)-c1nc2ccccc2[nH]1
Clc1ccc(SCC(=O)N2CCOCC2)cc1
Brc1ccccc1Cn1c(nc2ccccc12)-c1cscn1
CCOc1ccc(OCC(=O)N2CCOCC2)cc1
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
Fc1ccc(Cn2c(nc3ccccc23)-c2cscn2)c(Cl)c1
CC1CN(CC(C)O1)C(=O)CSc1ccc(C)cc1 |w:1.0,5.5|
CC(C)c1ccc(OCC(=O)N2CCOCC2)cc1
C(Cc1nnn[nH]1)Cn1c(nc2ccccc12)-c1cscn1
CCc1ccccc1OCC(=O)N1CCOCC1
Cc1cc(ccc1OCC(=O)N1CCOCC1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
COC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1
CC1CN(CC(C)O1)C(=O)COc1ccc(C)c(C)c1 |w:1.0,5.5|
Clc1cccc(Cl)c1Cn1c(nc2ccccc12)-c1cscn1
COC(=O)C1COCCN1C(=O)C(F)(F)Sc1ccc(cc1)C(C)C |w:4.3|
O=C(CSc1ccc2ccccc2c1)N1CCOCC1
CC1CN(CC(C)O1)C(=O)COc1cc(C)c(Cl)c(C)c1 |w:1.0,5.5|
Clc1cccc(OCC(=O)N2CCOCC2)c1
Clc1ccccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2cscn2)cc1
Nc1cccc(OCC(=O)N2CCOCC2)c1
CC(=O)c1cccc(NS(=O)(=O)N2CCCCC2)c1
Cc1ccc2cccc(SCC(=O)N3CCOCC3)c2n1
CC(C)c1ccc(CCC(=O)N2CCOCC2)cc1
CC(C)c1ccc(SCC(O)=O)cc1
Cc1ccc(Cl)cc1NS(=O)(=O)N1CCCCC1
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)CC2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
COc1cc(OC)cc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5
COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1cccnc1 |r|
COC[C@H]1O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC\C(C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
COC[C@H]1O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC=C)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
COC[C@H]1O[C@](O)(CC[C@@H]1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC=C)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H](CCCC=C)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)[C@]1(O)OCCC[C@H]1C
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H](CCCC=C)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)[C@@]1(O)CCCCO1
CO[C@@H](\C=C/C)[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H]([C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC)[C@H](C)[C@@H](O)CC(=O)C(CC=C)CC=C
CCC[C@H](\C=C(/C)C[C@H](C)C[C@H](OC)C1O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](C(C)C)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC)C(C)=O
C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)C2CC[C@@](C)(O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCCOC(=O)OC(=O)C2CC[C@@](C)(O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10|
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\c2cccc(c2)[N+]([O-])=O)[C@@H](C1)OC |c:3|
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\c2ccc(Br)cc2)[C@@H](C1)OC |c:3|
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\c2ccc(O)cc2)[C@@H](C1)OC |c:3|
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC(C)C |c:3|
COc1ccc(CCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
CC[C@@H]1\C=C(C)\C[C@H](C)[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](Oc2ccc3ccccc3c2)[C@@H](C1)OC |c:3|
CC[C@@H]1\C=C(C)\C[C@H](C)[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](Oc2ccc3[nH]ccc3c2)[C@@H](C1)OC |c:3|
CC[C@@H]1\C=C(C)\C[C@H](C)[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:3|
CC[C@@H]1\C=C(C)\[C@@H](O)[C@H](C)[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](Oc2ccc3n(C)ccc3c2)[C@@H](C1)OC |c:3|
CC[C@@H]1\C=C(C)\C[C@H](C)[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](C1)OC |c:3|
CC[C@@H]1\C=C(C)\[C@@H](O)[C@H](C)[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:3|
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@@H](OC)[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C |t:46|
CC[C@@H]1\C=C(C)\C[C@H](C)[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](Oc2ccc3n(C)ccc3c2)[C@@H](C1)OC |c:3|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCCOC2=O
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(COCc1ccccc1)COC2=O
CC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCOC2=O
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(CO[Si](C)(C)C(C)(C)C)COC2=O
COCC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(CO)COC2=O
CCC(C)(C)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCOC2=O
CCC(C)(C)C(=O)C(=O)N1C2CCCC1C(=O)OCCCCOC2=O
CC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCC(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCC(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCC(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCCC(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C)C(N)=O |r|
CC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O |r|
CC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)CC(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(C)C)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O |r|
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C(N)=O)c1ccccc1 |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCO)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCO)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC(N)=O)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CC1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCC1)C(N)=O |r|
COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCCC1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCOCC1)C(N)=O |r|
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(=O)NCC(N)=O |r|
CCC(C)C1N(C)C(=O)C[C@H](C)C[C@@H](CCSCCC(=O)C(=O)N2CCC[C@H](C2)C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O)OC
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |t:43|
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)c2ocnc2[C@H](C)C[C@H](OC)[C@H](O)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)CC(O)[C@H]1C)OC |t:46|
CCCC1N(C)C(=O)C[C@H](C)C[C@@H](CCSCC(=O)C(=O)N2CCC[C@H](C2)C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O)OC
CCCC1N(C)C(=O)C[C@H](C)C[C@@H](CCS(=O)CCC(O)C(=O)N2CCC[C@H](C2)C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O)OC
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@@H](CCO)CCC(=O)OC |c:33,t:48,50,52|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCCC(=O)NCCN1CCOCC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:51|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](\C=C\CCCC(=O)N1CCNCC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:50|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCCSCCO)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:43|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC(=O)N1CCCC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:45|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCN(C)C)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:41|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCCC(=O)N1CCC(CO)CC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC |r,c:50|
[H][C@@]12CCCCN1C(=O)C(=O)[C@]1(O)O[C@@]([H])([C@H](C[C@H]1C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CCCC(=O)NCCc1ccccn1)C(=O)C[C@H](O)[C@@H](C)[C@H](OC2=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC)OC |r,t:30|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCCC(=O)N(CCO)CCO)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:48|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC(=O)N1CCN(C)CC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:47|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCCC(=O)N1CCN(C)CC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC |r,c:49|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCCC(=O)N1CCN(Cc3ccccn3)CC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:56|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](OC(=O)N2CCN(C)CC2)[C@@H](C1)OC |r,c:38|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)\C(O)[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:38|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCCC(=O)N1CC(C1)N1CCOCC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:53|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CCCC(=O)N1CC(O)C1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:47|
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC(=O)N1CCCC1)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](OC(=O)N2CC(O)C2)[C@@H](C1)OC |r,c:45|
COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
O=C(OCCCc1cccnc1)C1CCCCN1C(=O)C(=O)c1ccccc1
CCOC(=O)C1CCCCN1C(=O)C(C)=O
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2
CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OC\C=C\c1cc(OC)ccc1OC
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCCC1
O=C(OCCCc1cccnc1)C1CCCN1S(=O)(=O)Cc1ccccc1
CCC(OC(=O)C1CCCCN1C(=O)C(=O)C(C)(C)CC)C(CCc1ccccc1)c1ccc(OC)cc1
O=C(OCCCc1cccnc1)C1CCCN1C(=S)NC1C2CC3CC(C2)CC1C3 |TLB:29:28:26:23.22.24,THB:24:23:20:25.26.27,24:25:20:23.22.29,19:20:26:23.22.24,29:23:26:20.28.27,(9.21,-4.9,;8.89,-3.39,;10.04,-2.38,;11.51,-2.87,;12.65,-1.84,;14.12,-2.33,;15.26,-1.31,;16.73,-1.8,;17.87,-.78,;17.57,.74,;16.1,1.21,;14.96,.2,;7.45,-2.92,;6.84,-1.35,;5.18,-1.43,;4.74,-3.06,;6.14,-3.96,;6.23,-5.64,;7.56,-6.42,;4.91,-6.4,;4.9,-7.94,;3.55,-8.68,;3.55,-10.22,;4.87,-11.01,;3.1,-11.32,;3.11,-9.78,;2.01,-8.68,;4.44,-9,;6.23,-8.71,;6.21,-10.25,)|
CCC(C)(C)NC(=O)N1CCCC1C(=O)OCCCc1cccnc1
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccn1
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccccc1
COC(=O)C(=O)N1CCCCC1C(=O)OCCCCC1CCCCC1
O=C(OC(CCCc1ccccc1)CCCc1ccccn1)C1CCCCN1C(=O)C(=O)c1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccccc1
O=C(OC(CCCc1ccccc1)Cc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCc1cc(OC)c(OC)c(OC)c1
CC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccccc1
CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC1CCCCC1
COC(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCCC1
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OCc1cccc(Oc2ccccc2)c1
[H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C)C(C)C
Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)OCCCCc1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
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COC(=O)C(=O)N1CCCCC1C(=O)OCc1ccccc1
O=C(OCCCc1cccnc1)C1CCCN1C(=O)NC1CCCCC1
CCOC(=O)C1CCCCN1C(=O)C(=O)OC
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCc1cccnc1
O=C(OCCCc1cccnc1)C1CCCN1C(=O)C(=O)C1CCCCC1
COC(=O)C1CCCCN1C(=O)C(=O)c1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccccc1)c1ccccc1
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CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
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CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccc2OCOc2c1
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)ccc1OC
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COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)C(C)(C)C)cc1
CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCCC1
O=C(OCCCC1CCCCC1)C1CCCCN1C(=O)C(=O)C1CCCCC1
CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cc(OC)ccc1OC
CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:26:25:23:20.19.21,THB:21:20:17:22.23.24,21:22:17:20.19.26,16:17:23:20.19.21,26:20:23:17.25.24|
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)CCc1ccccc1
CC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cccnc1
COC(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCC1
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1
O=C(OCCCc1ccccc1)C1CCCCN1C(=O)C(=O)C1CCCCC1
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OCCCCC1CCCCC1
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCCc1ccc(OC)cc1
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccccn1
CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)(C)CC
CO[C@@H]1C[C@H](CC(C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C3C=CC(\C=C(C)\[C@H](C[C@H]4O[C@](O)([C@H](C)C[C@@H]4OC)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)n2n3c(=O)n(-c3ccccc3)c2=O)CC[C@H]1O |c:14,30,33|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1c[nH]c2ccccc12
O=C(OCCCc1cccnc1)C1CCCN1C(=S)NC1CCCCC1
CCC(C)CNC(=O)N1CCCCC1C(=O)OCCCc1cccnc1
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1cccnc1
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC(c1ccccc1)c1ccccc1
COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc1
Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)N[C@H](CCc2ccccc2)C(=O)NCC(=O)N(C)CC(=O)O[C@H]1C
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCF)C[C@H]2C=C |r,TLB:27:26:7:3.2.4,20:19:7:3.2.4,THB:22:21:7:3.2.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccccn1)C[C@@H]2COC |r,TLB:31:30:7:2.3.4,20:19:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCOc1ccc(OC)c(OC)c1)C[C@@H]2C=C |r,TLB:37:36:7:2.3.4,20:19:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC#C)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,27:26:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCCOC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,29:28:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCCCOC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,30:29:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC(=O)OCC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,30:29:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ncccc1F)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,32:31:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCNC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,28:27:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCN(C)C)C[C@H]2C=C |r,TLB:20:19:7:2.3.4,29:28:7:2.3.4,THB:22:21:7:2.3.4|
C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CC(=O)O
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]2C=C |r,TLB:20:19:7:2.3.4,24:23:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCOC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,28:27:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC(N)=O)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,28:27:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(C)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,25:24:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CC#N)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,27:26:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(CCOCC)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,29:28:7:2.3.4,THB:22:21:7:2.3.4|
CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)CC
CCOC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1
CCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
CCOC(=O)C1CCCCN1S(=O)(=O)c1cccc(c1)[N+]([O-])=O
CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)c1ccccc1
CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
COc1cc(cc(c1OC)OC)CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1OC
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1cccnc1
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc(OC)c1OC
Nc1cccc(c1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1cccnc1
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(N)c2)cc(OC)c1OC
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3nc(C)sc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
Oc1c(Cl)cc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(cc2)-c2ncccn2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccoc2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3ccccc3s2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(c2)C#N)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(N)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccnc(C)n2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccncn2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(Br)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(F)cc(F)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Br)cc(c2)C(F)(F)F)c2cccc(OCC(O)=O)c2)cc1OC |r|
COC(=O)c1cc(cc(c1)S(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)C(=O)OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3CCOc3c(c2)[N+]([O-])=O)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3CCOc3c(N)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3NC(=O)Cc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC |r|
COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
CCC(C)(C)C(=O)C(=O)N1CC=CC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r,c:11|
CCC(C)(C)C(=O)C(=O)N1CCSC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCOc1ccc(OC)c(OC)c1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r|
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N(C)[C@@H](Cc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)C(CCc1ccncc1)CCc1ccncc1
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)cc1OC |r|
COc1ccc(OCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)cc1OC |r|
CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCOc1ccc(OC)c(OC)c1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O
CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O
CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2CO)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@H]2C)c2cccc(OCC(O)=O)c2)cc1OC |r|
CC[C@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
C[C@H]1C\C(C)=C\[C@@H](CC=C)C(=O)OCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)CCCOC1=O |t:4|
C[C@H]1C\C(C)=C\[C@@H](CC=C)C(=O)OCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O |t:4|
CC1(C)COC(=O)CCCCCCCCC(=O)c2cccc(c2)C(CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O
CCCC(CCC)C(=O)C=CC(C)(C)[C@@H](CCc1ccccc1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC |w:9.8|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)C=CC(=O)C1CCCCC1 |w:31.33|
CC1(C)CCC(=O)CCCCC(=O)OCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(c1)C(=O)N(CC=C)CC=C
CC1(C)COC(=O)CCCCC(=O)C=CC(C)(C)[C@@H](CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O |w:13.12|
C[C@@H]1COC(=O)[C@H](CC=C)\C=C(C)\C[C@H](C)C(=O)OCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1ccccc1 |c:10|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(c1)C(=O)c1ccccc1
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)\C=C\C(=O)c1ccccc1
C[C@@H]1COC(=O)[C@H](CC=C)\C=C(C)\C[C@H](C)C(=O)OCCCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1ccccc1 |c:10|
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@H](O)C1 |c:3|
COC[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
COC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
[#6]-[#8]-[#6](\[#6]=[#6](/[#6])-[#6])-[#6@@H]-1-[#6]-[#6]-[#6@@H](-[#6])[C@@]([#8])([#6]-1)[#6](=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#8]-[#6]-c1ccccc1
COC(\C=C/C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
COC(CC(C)C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
COc1cc(CCCOC(=O)[C@@H]2CCCCN2C(=O)NCC(C)(C)C)cc(OC)c1OC
COC(=O)[C@@H]1CCC[C@H]2CCN(Cc3ccccc3)C(=O)N12
CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1
CC(=C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
CCCN1CC[C@@H]2CCC[C@H](N2C1=O)C(=O)OCc1ccccc1
CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCCCCc2ccccc2)CCCCC1
CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CCCC1
COc1cccc(CCCOC(=O)[C@@H]2CCCCN2C(=O)NCC(C)(C)C)c1
CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccccc1
CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2cccc(Oc3ccccc3)c2)CCCCC1
CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CCCCC1
O=C(OCc1ccccc1)[C@@H]1CCC[C@H]2CCN(Cc3ccccc3)C(=O)N12
O=C(NCc1ccccc1)N1CCCC[C@H]1C(=O)OCc1ccccc1
CCCN1CC[C@@H]2CCC[C@H](N2C1=O)C(=O)OC
CC(C)(CO)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)C=C
COc1cc2CCN3C(=O)[C@@H]4CCCC(N4S(=O)(=O)c4cc(Cl)c(O)c(Cl)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:28.7.8|
COc1cc2CCN3C(=O)[C@@H]4CCCC(N4S(=O)(=O)c4cc(Cl)cc(Cl)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:27.7.8|
CCC(C)(C)C(=O)C(=O)N1[C@H]2CCCC1[C@]1(C)N(CCc3cc(OC)cc(OC)c13)C2=O |r,TLB:7:9:13.12.11:15.17.30|
COc1cc2CCN3C(=O)[C@@H]4CCCC(N4C(=O)C(=O)[C@]4(C)CCCC[C@H]4C)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:28.7.8|
COc1cc2CCN3C(=O)[C@@H]4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:32.7.8|
[H][C@]12CS[C@@H](CCCCC(=O)N(CC#N)S(=O)(=O)c3ccc(cc3)C(=O)NCCCCCNC(=O)COc3cccc(c3)[C@@H](CCc3ccc(OC)c(OC)c3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C(C)(C)CC)[C@@]1([H])NC(=O)N2 |r|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1cccnc1 |r|
COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 |r|
COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 |r|
CCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)C=C)c1 |r|
CCC(=O)Nc1cccc(c1)[C@@H](CCc1ccc(OC)c(OC)c1)OC(=O)[C@@H]1CCCCN1C(=O)C(C)(C)CC |r|
CCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1NC(=O)C=C |r|
CCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccc(NC(=O)C=C)cc1 |r|
CCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1 |r|
CCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)c2cccc(NC(=O)C=C)c2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2NC(=O)C=C)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(C)(C)CNC(=O)C=C)c2ccccc2)cc1OC |r|
CCC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(C)(C)COC(=O)C=C)c2ccccc2)cc1OC |r|
CCC(=O)OCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2CCCNC(=O)C=C)c2ccccc2)cc1OC |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(C)(C)CNC(=O)C=C)c2cccc(OCC(O)=O)c2)cc1OC |r|
COc1cccc(SCc2cn(CC(O)=O)nn2)c1
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)NC2C3CC4(C)CC2CC(C)(C3)C4)C(=O)C1 |r,wU:1.0,wD:3.3,9.10,TLB:25:24:21:28.31.29,30:29:21:23.24.26,20:21:28.31.29:23.24.26,20:21:26:28.29.32,31:29:21.22.23:26,THB:32:29:21:23.24.26,32:24:21:28.31.29,31:22:26:28.29.32,(-6.82,-3.14,;-6.82,-1.6,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-5.49,.71,;-5.49,-.83,;-4.15,1.48,;-4.15,3.02,;-2.82,.71,;-1.49,1.48,;-1.49,3.02,;-.15,3.8,;-.15,5.34,;1.18,3.02,;2.52,3.79,;3.85,3.02,;3.85,1.48,;5.18,3.79,;6.52,3.02,;8.01,2.64,;8.8,4.01,;10.3,4.55,;11.07,5.88,;8.91,4.81,;8.18,3.53,;9.08,2.46,;10.44,2.06,;11.45,.89,;8.94,1.47,;11.21,3.37,;1.18,1.48,;2.52,.71,;-.15,.71,)|
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)NC2C3CC4(C)CC(O)(C3)CC2(C)C4)C(=O)C1 |r,TLB:25:24:21:29.30.27,28:27:21:33.24.23,20:21:23:29.27.26,THB:26:27:21:33.24.23,26:24:21:29.30.27,32:31:23:29.27.26,20:21:29.30.27:33.24.23,30:31:23:29.27.26,30:27:21.31.33:23|
CCC12CC3CC(C1)C(NC(=O)CN1C(=O)CC(C[C@@H](O)C4C[C@@H](C)C[C@H](C)C4=O)CC1=O)C(C3)C2 |r,wU:23.24,wD:26.27,19.20,TLB:1:2:8:5.34.4,34:33:7:5.4.3,THB:3:4:8:35.2.7,3:2:8:5.34.4,9:8:5.34.4:35.2.7,9:8:7:5.4.3,34:4:8.33.35:7,(12.61,5.88,;11.07,5.88,;10.3,4.55,;11.21,3.37,;10.44,2.06,;9.08,2.46,;8.18,3.53,;8.91,4.81,;6.52,3.02,;5.18,3.79,;3.85,3.02,;3.85,1.48,;2.52,3.79,;1.18,3.02,;-.15,3.8,;-.15,5.34,;-1.49,3.02,;-1.49,1.48,;-2.82,.71,;-4.15,1.48,;-4.15,3.02,;-5.49,.71,;-5.49,-.83,;-6.82,-1.6,;-6.82,-3.14,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-.15,.71,;1.18,1.48,;2.52,.71,;8.01,2.64,;8.94,1.47,;8.8,4.01,)|
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)NC2C3CC4CC2CC(O)(C4)C3)C(=O)C1 |r,wU:1.0,wD:3.3,9.10,TLB:29:28:21:23.25.24,25:26:31:23.24.30,25:24:21.26.27:31,THB:30:24:21:27.28.31,30:28:21:23.25.24,20:21:23.25.24:27.28.31,20:21:31:23.24.30,(-6.82,-3.14,;-6.82,-1.6,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-5.49,.71,;-5.49,-.83,;-4.15,1.48,;-4.15,3.02,;-2.82,.71,;-1.49,1.48,;-1.49,3.02,;-.15,3.8,;-.15,5.34,;1.18,3.02,;2.52,3.79,;3.85,3.02,;3.85,1.48,;5.18,3.79,;6.52,3.02,;8.18,3.53,;9.08,2.46,;10.44,2.06,;8.94,1.47,;8.01,2.64,;8.8,4.01,;10.3,4.55,;11.07,5.88,;11.21,3.37,;8.91,4.81,;1.18,1.48,;2.52,.71,;-.15,.71,)|
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)N(C)C(C)(C)C)C(=O)C1 |r|
COc1cccc(c1)[C@@H](CCc1ccc(OC)c(OC)c1)OC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1 |r|
COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC
COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC\C=C\COc4cccc2c4)c(OC)c3)cc1OC |r,t:37|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC\C=C/COc4cccc2c4)c(OC)c3)cc1OC |r,c:37|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCC(=O)COc4cccc2c4)c(OC)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCC(O)C(O)COc4cccc2c4)c(OC)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCC\C=C\COc4cccc2c4)c(OC)c3)cc1OC |r,t:38|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCC\C=C/COc4cccc2c4)c(OC)c3)cc1OC |r,c:38|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCOC\C=C\COc4cccc2c4)c(OC)c3)cc1OC |r,t:40|
COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C\COCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCOCCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCOC\C=C\COc4cccc2c4)c(OC)c3)cc1OC |r,t:41|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCCOCCCCOc4cccc2c4)c(OC)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOc4cccc2c4)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCOc4cccc2c4)c3)cc1OC |r|
COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C/COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCCOc4cccc2c4)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCC(=O)COc4cccc2c4)c3)cc1OC |r|
COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@@H](COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)O)O
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OC[C@H](O)[C@@H](O)COc4cccc2c4)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCC\C=C\COc4cccc2c4)c3)cc1OC |r,t:41|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCC\C=C/COc4cccc2c4)c3)cc1OC |r,c:41|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCCCOc4cccc2c4)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCC(=O)CCOc4cccc2c4)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCC(=O)COc4cccc2c4)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOC\C=C\COc4cccc2c4)c3)cc1OC |r,t:43|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOC\C=C/COc4cccc2c4)c3)cc1OC |r,c:43|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOCCCCOc4cccc2c4)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCOCC(=O)CCOc4cccc2c4)c3)cc1OC |r|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCOC\C=C/COc4cccc2c4)c3)cc1OC |r,c:44|
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCCOCCCCOc4cccc2c4)c3)cc1OC |r|
[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C2)OC)[C@H](C)C[C@H]1CC[C@H](O)CC1 |r,wU:4.4,18.20,48.51,51.53,6.6,1.0,44.48,wD:54.57,27.29,32.34,35.37,c:26,43,t:39,41,(-3.43,-3.47,;-4.92,-3.86,;-6.38,-4.38,;-7.46,-3.39,;-7.18,-1.89,;-8.35,-.89,;-5.81,-1.37,;-6.9,-.28,;-4.64,-2.36,;-5.55,.05,;-6.64,1.03,;-4.09,.55,;-3.01,-.42,;-3.83,1.96,;-5.01,2.96,;-4.72,4.47,;-3.27,4.97,;-2.19,3.99,;-2.47,2.48,;-.98,2.88,;-.58,4.37,;.11,1.79,;1.59,2.19,;5.2,.36,;4.72,-1.11,;5.75,-2.25,;7.25,-1.94,;5.27,-3.72,;3.76,-4.04,;6.3,-4.86,;5.82,-6.33,;4.31,-6.65,;6.85,-7.47,;8.35,-7.16,;6.37,-8.94,;4.86,-9.26,;4.38,-10.72,;3.83,-8.11,;2.33,-8.43,;1.3,-7.28,;-.21,-7.6,;-1.24,-6.45,;-2.74,-6.77,;-3.22,-8.23,;-3.77,-5.62,;-5.05,-5.05,;-4.54,-6.96,;-6.08,-6.96,;1.99,3.68,;3.48,4.08,;.9,4.77,;1.3,6.26,;.21,7.35,;.61,8.83,;2.1,9.23,;2.5,10.72,;3.19,8.14,;2.79,6.66,)|
[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:26,43,t:39,41|
[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](O)C1 |r,c:26,43,t:39,41|
[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CC(O)CC(=O)[C@H](C)\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:33,50,t:46,48|
[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](O)C2)[C@H](C)C[C@H]1CC[C@H](O)CC1 |r,wU:4.4,18.20,47.50,50.52,6.6,1.0,44.46,wD:53.56,27.29,32.34,35.37,c:26,43,t:39,41,(-3.43,-3.47,;-4.92,-3.86,;-6.38,-4.38,;-7.46,-3.39,;-7.18,-1.89,;-8.35,-.89,;-5.81,-1.37,;-6.9,-.28,;-4.64,-2.36,;-5.55,.05,;-6.64,1.03,;-4.09,.55,;-3.01,-.43,;-3.83,1.96,;-5,2.96,;-4.72,4.47,;-3.27,4.97,;-2.19,3.99,;-2.47,2.48,;-.98,2.88,;-.58,4.37,;.11,1.79,;1.59,2.19,;4.97,.24,;4.72,-1.11,;5.75,-2.25,;7.25,-1.94,;5.27,-3.72,;3.76,-4.04,;6.3,-4.86,;5.82,-6.33,;4.31,-6.65,;6.85,-7.47,;8.35,-7.16,;6.37,-8.94,;4.86,-9.26,;4.38,-10.72,;3.83,-8.11,;2.33,-8.43,;1.3,-7.28,;-.21,-7.6,;-1.24,-6.45,;-2.74,-6.77,;-3.22,-8.23,;-3.77,-5.62,;-4.54,-6.96,;-5.05,-5.05,;1.99,3.68,;3.48,4.08,;.9,4.77,;1.3,6.26,;.21,7.35,;.61,8.83,;2.1,9.23,;2.5,10.72,;3.19,8.14,;2.79,6.66,)|
[H][C@]12C[C@@H](C[C@@H](C)C3CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@]4([H])CC[C@@H](C)[C@@](O)(O4)C(=O)C(=O)N4CCCC[C@H]4C(=O)O3)OC)[C@]([H])(C[C@H]1O)C2 |r,c:13,32,t:28,30|
[H][C@@]1(C[C@@H](C)[C@@H]2CC(=O)C(C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CCC(OCCOCc2cn(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)C(C1)OC |r,c:11,30,t:26,28|
CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCc1ccccc1)C1CCCCC1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C1CCCCC1 |r|
[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)N(CC(=O)N(C)C)C(=O)C1 |r|
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1 |r|
C[C@@H]1/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](O)[C@H]2O)CC1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C