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668 SMILES Strings for Mammalian target of Rapamycin (mTORC1)

Compound NameSMILES String
BDBM23334 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 |r|
BDBM23335 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|
BDBM23336 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(C)cc3C21 |TLB:14:16:18.19.20:24.34.22|
BDBM23337 COc1cccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc12 |TLB:14:13:9.10.11:32.7.30|
BDBM23338 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(Cl)cc3C21 |TLB:14:16:18.19.20:24.34.22|
BDBM23339 COc1ccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29|
BDBM23340 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3c(Cl)cccc3C21 |TLB:14:16:18.19.20:24.34.22|
BDBM23341 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(Cl)ccc3C21 |TLB:14:16:18.19.20:24.34.22|
BDBM23342 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cccc(F)c3C21 |TLB:14:16:18.19.20:24.34.22|
BDBM23343 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccccc3C21 |TLB:14:16:18.19.20:24.33.22|
BDBM23344 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(F)cc3C21 |TLB:14:16:18.19.20:24.34.22|
BDBM23345 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|
BDBM23346 COc1cc(OC)cc(c1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:12:14:16.17.18:22.35.20|
BDBM23347 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccc(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
BDBM23348 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|
BDBM23349 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
BDBM23350 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
BDBM23351 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
BDBM23352 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(F)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
BDBM23353 CCc1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:10:12:14.15.16:20.33.18|
BDBM23354 COc1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:10:12:14.15.16:20.33.18|
BDBM23356 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4O)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
BDBM23357 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccc(Cl)c4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
BDBM23358 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
BDBM23359 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)cc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
BDBM23360 CCN(CC)c1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:13:15:17.18.19:23.36.21|
BDBM23361 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(Cl)ccc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
BDBM23362 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|
BDBM23363 COc1cc2CCN3C(C4CCCC(N4C(=O)C(O)c4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
BDBM23364 COc1cc2CCN3C(C4CCCC(N4C(=O)Cc4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
BDBM32686 Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
BDBM33822 OC(=O)c1ccccc1SCC(=O)N1CCOCC1
BDBM36608 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|
BDBM36609 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|
BDBM36610 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|
BDBM36611 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|
BDBM36612 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|
BDBM36613 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|
BDBM36614 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|
BDBM36615 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|
BDBM36616 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|
BDBM36617 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|
BDBM36618 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|
BDBM36619 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|
BDBM36620 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|
BDBM36621 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|
BDBM36622 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|
BDBM36623 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|
BDBM36624 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|
BDBM36625 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)OCc2ccccc2)CC[C@H]1O |c:14,33,t:29,31|
BDBM36626 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)OCc2cccc(c2)N(=O)=O)CC[C@H]1O |c:14,33,t:29,31|
BDBM36627 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)OCc2ccc(Cl)cc2)CC[C@H]1O |c:14,33,t:29,31|
BDBM36628 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)OCc2ccc(N=[N]#N)c(I)c2)CC[C@H]1O |c:14,33,t:29,31|
BDBM92862 Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
BDBM92863 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:14,29,33,t:31|
BDBM50022815 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|
BDBM50030448 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](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|
BDBM50064359 [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=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=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:32,51,t:47,49|
BDBM50068569 [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
BDBM50067003 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1
BDBM50067004 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1
BDBM50067005 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1
BDBM50067006 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1
BDBM50067007 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1
BDBM50064362 CCOC(=O)CO[C@@H]1CCC(C[C@H]1OC)\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](C[C@@H](C)C\C(C)=C\[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)OC |t:51|
BDBM50064363 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\C1CC[C@@H](OCC(=O)NCCc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50064364 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\C1CC[C@@H](OCC(=O)Nc2ccc(C)cc2)[C@@H](C1)OC |c:3|
BDBM50064365 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\C1CC[C@@H](OCC(=O)N(C)CCc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50064366 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\C1CC[C@@H](OCC(=O)Nc2ccc(cc2)C(F)(F)F)[C@@H](C1)OC |c:3|
BDBM50064367 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\C1CC[C@@H](OCC(=O)Nc2ccc(cc2)N2CCOCC2)[C@@H](C1)OC |c:3|
BDBM50064368 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\C1CC[C@@H](OCC(=O)Nc2cccc(F)c2)[C@@H](C1)OC |c:3|
BDBM50064369 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\C1CC[C@@H](OCC(=O)Nc2ccc(OC)cc2)[C@@H](C1)OC |c:3|
BDBM50064370 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\C1CC[C@@H](OCC(=O)Nc2cccc(c2)C(F)(F)F)[C@@H](C1)OC |c:3|
BDBM50064371 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\C1CC[C@@H](OCC(=O)Nc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50064372 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\C1CC[C@@H](OCC(=O)Nc2ccc(Cl)cc2)[C@@H](C1)OC |c:3|
BDBM50064373 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\C1CC[C@@H](OCC(N)=O)[C@@H](C1)OC |c:3|
BDBM50064374 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\C1CC[C@@H](OCC(=O)N(C)c2ccccc2)[C@@H](C1)OC |c:3|
BDBM50064375 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\C1CC[C@@H](OCC(=O)Nc2ccccn2)[C@@H](C1)OC |c:3|
BDBM50064376 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\C1CC[C@@H](OCC(=O)Nc2ccc(O)cc2)[C@@H](C1)OC |c:3|
BDBM50064350 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\C1CC[C@@H](OCC(=O)Nc2cccnc2)[C@@H](C1)OC |c:3|
BDBM50064351 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\C1CC[C@@H](OCC(=O)Nc2ccncc2)[C@@H](C1)OC |c:3|
BDBM50064352 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\C1CC[C@@H](OCC(=O)N(C)Cc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50064353 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\C1CC[C@@H](OCC(O)=O)[C@@H](C1)OC |c:3|
BDBM50064354 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\C1CC[C@@H](OCC(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C1)OC |c:3|
BDBM50064355 CO[C@@H]1CC(CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)OC([C@H](C[C@H]2C)OC)[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:45|
BDBM50064357 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\C1CC[C@@H](OCC(=O)Nc2ccc(F)cc2)[C@@H](C1)OC |c:3|
BDBM50064358 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\C1CC[C@@H](OCC(=O)NCc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50064360 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)N2CCCCC2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OCC(=O)OCc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50064361 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\C1CC[C@@H](OCC(=O)NC2CCCCC2)[C@@H](C1)OC |c:3|
BDBM50068571 CCOC(=O)C1CCCCN1C(=O)C(=O)OC
BDBM50068572 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
BDBM50068573 O=C(OC(CCCc1ccccc1)CCCc1ccccc1)C1CCCCN1C(=O)C(=O)c1ccccc1
BDBM50068575 O=C(OCCCc1cccnc1)C1CCCN1C(=O)NC1CCCCC1
BDBM50068576 O=C(OCCCc1cccnc1)C1CCCN1C(=O)C(=O)C1CCCCC1
BDBM50068577 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccccc1)c1ccccc1
BDBM50068578 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCc1cccnc1
BDBM50068579 O=C(OCCCCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
BDBM50068581 O=C(OCCCCc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1
BDBM50068582 CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
BDBM50068583 O=C(OCCCC1CCCCC1)C1CCCCN1C(=O)C(=O)C1CCCCC1
BDBM50068585 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccc2OCOc2c1
BDBM50068586 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)ccc1OC
BDBM50068587 O=C(OCCCc1ccccc1)C1CCCN1C(=O)C(=O)C1CCCCC1
BDBM50068588 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1
BDBM50068589 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1
BDBM50068590 CC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cccnc1
BDBM50068591 COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)C(C)(C)C)cc1
BDBM50068592 CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCCC1
BDBM50068593 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cc(OC)ccc1OC
BDBM50068594 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)CCc1ccccc1
BDBM50068596 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCCc1ccc(OC)cc1
BDBM50068597 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
BDBM50068598 COC(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCC1
BDBM50068599 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OCCCCC1CCCCC1
BDBM50068600 O=C(OCCCc1ccccc1)C1CCCCN1C(=O)C(=O)C1CCCCC1
BDBM50068580 COC(=O)C1CCCCN1C(=O)C(=O)c1ccccc1
BDBM50068939 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](C1)OC |c:3|
BDBM50068601 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|
BDBM50068604 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccccn1
BDBM50068605 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1c[nH]c2ccccc12
BDBM50068606 O=C(OCCCc1cccnc1)C1CCCN1C(=S)NC1CCCCC1
BDBM50068607 CCC(C)CNC(=O)N1CCCCC1C(=O)OCCCc1cccnc1
BDBM50068608 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1cccnc1
BDBM50068609 COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc1
BDBM50068610 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC(c1ccccc1)c1ccccc1
BDBM50068611 Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
BDBM50068549 CCOC(=O)C1CCCCN1C(=O)C(C)=O
BDBM50068550 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCCC1
BDBM50068551 O=C(OCCCc1cccnc1)C1CCCN1S(=O)(=O)Cc1ccccc1
BDBM50068552 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,)|
BDBM50068553 CCC(OC(=O)C1CCCCN1C(=O)C(=O)C(C)(C)CC)C(CCc1ccccc1)c1ccc(OC)cc1
BDBM50068554 CCC(C)(C)NC(=O)N1CCCC1C(=O)OCCCc1cccnc1
BDBM50068555 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccccc1
BDBM50068556 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccn1
BDBM50068557 COC(=O)C(=O)N1CCCCC1C(=O)OCCCCC1CCCCC1
BDBM50068558 O=C(OC(CCCc1ccccc1)CCCc1ccccn1)C1CCCCN1C(=O)C(=O)c1ccccc1
BDBM50068559 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccccc1
BDBM50068560 O=C(OC(CCCc1ccccc1)Cc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1
BDBM50068561 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)\C=C\C=C\C=C(C)\[C@H](C[C@H]3O[C@](O)([C@H](C)C[C@@H]3OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
BDBM50068562 CC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccccc1
BDBM50068563 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCc1cc(OC)c(OC)c(OC)c1
BDBM50068564 CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccccc1
BDBM50068565 COC(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCCC1
BDBM50068566 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC1CCCCC1
BDBM50068567 COC(=O)C(=O)N1CCCCC1C(=O)OCc1ccccc1
BDBM50068568 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OCc1cccc(Oc2ccccc2)c1
BDBM50068570 Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)OCCCCc1ccccc1
BDBM50068602 CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)(C)CC
BDBM50068545 COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
BDBM50068546 O=C(OCCCc1cccnc1)C1CCCCN1C(=O)C(=O)c1ccccc1
BDBM50068547 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cccnc1
BDBM50068548 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OC\C=C\c1cc(OC)ccc1OC
BDBM50071450 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](OCOCc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50071451 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|
BDBM50071463 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\c2ccccc2)[C@@H](C1)OC |c:3|
BDBM50071465 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](OCc2nc(c[nH]2)-c2ccccc2)[C@@H](C1)OC |c:3|
BDBM50071466 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](OCc2nccn2Cc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50075184 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|
BDBM50079765 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](OCc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50079766 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](Oc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50079767 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](OCCCc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50079770 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](OCCc2ccccc2)[C@@H](C1)OC |c:3|
BDBM50079774 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\C1CC[C@@H](OC[C@H](O)c2cc(C)cc(C)c2)[C@@H](C1)OC |c:3|
BDBM50079775 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\C1CC[C@@H](OC[C@@H](O)c2ccc3ccccc3c2)[C@@H](C1)OC |c:3|
BDBM50079776 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\C1CC[C@@H](OC[C@@H](O)c2cccc(c2)C(F)(F)F)[C@@H](C1)OC |c:3|
BDBM50079778 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\C1CC[C@@H](OC[C@@H](O)c2ccc(F)c(F)c2)[C@@H](C1)OC |c:3|
BDBM50079779 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\C1CC[C@@H](OC[C@H](O)c2ccc3ccccc3c2)[C@@H](C1)OC |c:3|
BDBM50079780 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\C1CC[C@@H](OC[C@@H](O)c2cc(C)cc(C)c2)[C@@H](C1)OC |c:3|
BDBM50079781 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\C1CC[C@@H](OC[C@H](O)c2ccc(F)c(F)c2)[C@@H](C1)OC |c:3|
BDBM50079782 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\C1CC[C@@H](OC[C@H](O)c2cccc(c2)C(F)(F)F)[C@@H](C1)OC |c:3|
BDBM50079783 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\C1CC[C@@H](OC[C@H](O)c2cc3ccccc3s2)[C@@H](C1)OC |c:3|
BDBM50079784 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\C1CC[C@@H](OC[C@@H](O)c2cc3ccccc3s2)[C@@H](C1)OC |c:3|
BDBM50082053 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)CCC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:3|
BDBM50082054 CCC1=CC(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(C)=C\[C@@H]2CC[C@@H](O)[C@@H](C2)OC)C(C)=CCC1=O |w:3.3,51.54|
BDBM50080527 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(C)C(=O)C1
BDBM50080528 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r|
BDBM50080529 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)OC(C)=O
BDBM50080530 CCOC(=O)CCCN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O
BDBM50080531 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(CC(N)=O)C(=O)C1
BDBM50080532 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(Cc2ccc(cc2)C#N)C(=O)C1
BDBM50080533 CCOC(=O)CN1C(=O)CC(C[C@@H](OC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O |TLB:24:23:26:19.18.20,24:19:26:23.25.22|
BDBM50080534 CCOC(=O)CN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O
BDBM50080535 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(Cc2ccccc2)C(=O)C1
BDBM50080536 C[C@H]1C[C@H](C)C(N=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1
BDBM50086428 [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8]-[#6])-[#6](=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#8]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=S)-[#7]=[#6]-1-[#6]=[#6]\[#6](-[#6](=[#6]-1)-[#6](-[#8])=O)=[#6]-1\c2ccc(-[#8])cc2-[#8]-c2cc(-[#8])ccc-12 |w:32.33,c:36,39|
BDBM50086429 [#6]C([#6])([#6])[#6]-[#6](=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#8]-[#6]-[#6]-[#6]-[#7]-[#6](=S)-[#7]=[#6]-1-[#6]=[#6]\[#6](-[#6](=[#6]-1)-[#6](-[#8])=O)=[#6]-1\c2ccc(-[#8])cc2-[#8]-c2cc(-[#8])ccc-12 |w:24.24,c:27,30|
BDBM50086426 [#6]-[#6]C([#6])([#6])[#6](=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#8]-[#6]-[#6]-[#6]-[#7]-[#6](=S)-[#7]=[#6]-1-[#6]=[#6]\[#6](-[#6](=[#6]-1)-[#6](-[#8])=O)=[#6]-1\c2ccc(-[#8])cc2-[#8]-c2cc(-[#8])ccc-12 |w:23.23,c:26,29|
BDBM50086427 [#6]C([#6])([#6])[#6]-[#6](=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#8]-[#6](-[#6]-[#6]-[#6]-c1ccccc1)-[#6]-[#6]-[#7]-[#6](=S)-[#7]=[#6]-1-[#6]=[#6]\[#6](-[#6](=[#6]-1)-[#6](-[#8])=O)=[#6]-1\c2ccc(-[#8])cc2-[#8]-c2cc(-[#8])ccc-12 |w:33.34,c:37,40|
BDBM50086085 CC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1
BDBM50086086 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C(C)C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086087 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C(C)C)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086089 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086090 CC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
BDBM50086091 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086075 CCC[C@@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
BDBM50086076 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)C(c2ccccc2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086092 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C(C)C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086093 CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
BDBM50086094 CCC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
BDBM50086077 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086078 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086079 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086080 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086081 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C(C)C)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086082 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086083 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC=C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50086084 CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1
BDBM50089429 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)CCCC\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]1OC(=O)N1CCOCC1 |c:14,33|
BDBM50089432 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)CCCC\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]1OC(=O)N(C)OC |c:14,33|
BDBM50089437 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)N(O)C(=O)Oc2ccccc2)CC[C@H]1O |c:14,33,t:29,31|
BDBM50089447 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](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 |c:14,33,t:29,31|
BDBM50109811 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1
BDBM50113056 COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1
BDBM50113057 Brc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1
BDBM50113058 COc1ccc(CCCOC(=O)C2CCCCN2C(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1 |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26,26:25:22:27.29.28,26:27:22:25.30.24|
BDBM50113059 Fc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
BDBM50113060 C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCCCc1ccc(F)cc1)c1ccccc1
BDBM50113061 Fc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
BDBM50113062 O=C(Nc1ccccc1)N1CCC[C@H]1C(=O)OCCc1ccccc1
BDBM50113063 COc1ccc(CCCOC(=O)C2CCCCN2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26,26:27:22:25.30.24,26:25:22:27.29.28|
BDBM50113064 O=C(Nc1ccccc1)N1CCC[C@H]1C(=O)OCc1ccccc1
BDBM50113065 O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26|
BDBM50113066 Brc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
BDBM50113067 Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1ccc(Cl)cc1
BDBM50113068 O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26|
BDBM50113069 Clc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
BDBM50113070 COc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC2CCCCC2)cc1OC
BDBM50113071 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1
BDBM50113072 COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
BDBM50113073 O=C(OCCc1ccccc1)[C@@H]1CCCN1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
BDBM50113074 C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCCCc1ccc(Cl)cc1)c1ccccc1
BDBM50113075 O=C(OCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:22:26:20.19.25,THB:21:20:26:22.27.23|
BDBM50113076 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1
BDBM50113077 COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1OC
BDBM50113078 Fc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1
BDBM50113079 O=C(OCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
BDBM50113080 Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1ccc(F)cc1
BDBM50113081 O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:22:26:20.19.25,THB:21:20:26:22.27.23|
BDBM50113082 Fc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
BDBM50113083 Brc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
BDBM50113084 Brc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
BDBM50113085 Clc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
BDBM50113086 Clc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1
BDBM50113087 O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:23:24:28:22.21.27,THB:23:22:28:24.29.25|
BDBM50113088 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1
BDBM50113089 O=C(Nc1ccccc1)N1CCC[C@H]1C(=O)OCCCc1ccccc1
BDBM50113090 C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCCCc1ccc(Br)cc1)c1ccccc1
BDBM50113091 COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1
BDBM50113092 COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1OC
BDBM50113093 Clc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
BDBM50113094 O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:23:24:28:22.21.27,THB:23:22:28:24.29.25|
BDBM50113095 COc1ccc(CCCOC(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)cc1
BDBM50113096 CCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(CC)cc1
BDBM50113097 O=C(NCc1ccccc1)C1CCCN1C(=O)NCc1ccccc1
BDBM50113098 O=C(NCc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1
BDBM50113099 CCCCCCCCS(=O)(=O)N1CCCC1C(=O)NCCCc1ccccc1
BDBM50113100 O=C(NCCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1
BDBM50113101 O=C(NCCc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1
BDBM50113102 O=C(NCCCc1ccccc1)C1CCCCN1S(=O)(=O)\C=C\c1ccccc1
BDBM50113103 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1ccccc1
BDBM50113104 O=C(NCCCc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1
BDBM50113105 O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)CCc1ccccc1
BDBM50113106 CCCCNC(=O)C1CCCN1C(=O)NCc1ccccc1
BDBM50113107 CCCCCCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1
BDBM50113108 Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCCc1ccccc1
BDBM50113109 O=C(NCCCCc1ccccc1)[C@@H]1CCCCN1C(=O)NCc1ccccc1
BDBM50113110 CCCCCCCCS(=O)(=O)N1CCCC1C(=O)NCCc1ccccc1
BDBM50113111 O=C(NCc1ccccc1)C1CCCN1C(=O)NC1CCCCC1
BDBM50113112 CCc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1
BDBM50113113 O=C(NCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1
BDBM50113114 CCCCNC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1
BDBM50113115 O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)\C=C\c1ccccc1
BDBM50113116 O=C(NCCCc1ccccc1)C1CCCN1S(=O)(=O)c1ccccc1
BDBM50113117 O=C(NCc1ccccc1)C1CCCCN1S(=O)(=O)\C=C\c1ccccc1
BDBM50113118 O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1ccccc1
BDBM50113119 CCCCNC(=O)C1CCCN1C(=O)NC1CCCCC1
BDBM50113120 O=C(NCCCc1ccccc1)C1CCCN1S(=O)(=O)CCc1ccccc1
BDBM50113121 O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)CCc1ccccc1
BDBM50113122 CCc1ccccc1NC(=O)N1CCCC1C(=O)NCCc1ccccc1
BDBM50113123 O=C(NCCCc1ccccc1)C1CCCN1S(=O)(=O)\C=C\c1ccccc1
BDBM50113124 CCc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCc1ccccc1
BDBM50113125 CCCCNC(=O)C1CCCN1C(=O)Nc1ccccc1CC
BDBM50113126 O=C(NCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
BDBM50113127 O=C(NCCCc1ccccc1)C1CCCN1C(=O)NC1CCCCC1
BDBM50113128 O=C(NCCCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
BDBM50113129 CCCCNC(=O)C1CCCN1S(=O)(=O)CCc1ccccc1
BDBM50113130 O=C(NCCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
BDBM50113131 O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
BDBM50113132 CCc1ccccc1NC(=O)N1CCCC1C(=O)NCCCc1ccccc1
BDBM50113133 CCc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCCCc1ccccc1
BDBM50113134 Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCc1ccccc1
BDBM50113135 O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)\C=C\c1ccccc1
BDBM50113136 CCCCNC(=O)C1CCCCN1S(=O)(=O)\C=C\c1ccccc1
BDBM50113137 O=C(NCCCc1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1
BDBM50113138 Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCCCc1ccccc1
BDBM50113139 O=C(NCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
BDBM50113140 CCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1
BDBM50113141 CCCCNC(=O)C1CCCN1S(=O)(=O)c1ccccc1
BDBM50113142 O=C(NCCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
BDBM50113143 O=C(NCCc1ccccc1)C1CCCN1C(=O)NC1CCCCC1
BDBM50113144 CCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
BDBM50113145 CCc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCCc1ccccc1
BDBM50113146 O=C(NCCc1ccccc1)C1CCCN1C(=O)NCc1ccccc1
BDBM50113147 O=C(NCCc1ccccc1)C1CCCCN1S(=O)(=O)\C=C\c1ccccc1
BDBM50116629 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1
BDBM50116630 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc(OC)cc1
BDBM50116631 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1
BDBM50116632 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc2ccccc2c1
BDBM50116633 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1
BDBM50116634 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1cccnc1
BDBM50116635 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1
BDBM50116636 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1
BDBM50116637 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1
BDBM50121347 c1nc(cs1)-c1nc2ccccc2[nH]1
BDBM50132541 CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50132542 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
BDBM50132544 CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1
BDBM50132547 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)Cc2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
BDBM50132550 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
BDBM50132551 CCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
BDBM50132554 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
BDBM50132556 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
BDBM50132558 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|
BDBM50132560 CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccc2OCOc2c1
BDBM50149231 COC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1
BDBM50172395 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
BDBM50228108 CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228105 Cc1cc(ccc1OCC(=O)N1CCOCC1)S(=O)(=O)N1CCCC1
BDBM50228106 CC(C)c1ccc(SCC(=O)N2CCOCC2C(O)=O)cc1 |w:16.17|
BDBM50228100 CC1CN(CC(C)O1)C(=O)CSc1ccccc1 |w:1.0,5.5|
BDBM50228101 CC(C)c1ccc(SC(F)(F)C(=O)N2CCOCC2)cc1
BDBM50228089 Fc1ccc(NS(=O)(=O)N2CCCCC2)cc1
BDBM50228090 Cc1ccc(SCC(=O)N2CCOCC2)cc1
BDBM50228091 Cc1ccc(cc1)-c1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228092 FC(F)(F)c1cccc(Cn2c(nc3ccccc23)-c2cscn2)c1
BDBM50228093 COc1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228094 CSc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
BDBM50228095 Fc1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228096 Fc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
BDBM50228097 Cc1cc(C)cc(NS(=O)(=O)N2CCCCC2)c1
BDBM50228098 CC1CN(CC(C)O1)C(=O)COc1ccccc1Cl |w:1.0,5.5|
BDBM50228099 Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)OCc1ccccc1
BDBM50228140 CC(C)c1ccccc1OCC(=O)N1CCOCC1
BDBM50228141 O=C(CCc1ccccc1)N1CCOCC1
BDBM50228142 Clc1cc(Cl)c(OCC(=O)N2CCOCC2)cc1Cl
BDBM50228143 O=C(CSc1cccc2cccnc12)N1CCOCC1
BDBM50228144 Cc1cc(C)c(OCC(=O)N2CCOCC2)c(C)c1
BDBM50228145 Cc1cc(Cl)ccc1OCC(=O)N1CCOCC1
BDBM50228102 Cc1cc(C)c(C)c(OCC(=O)N2CCOCC2)c1
BDBM50228103 Clc1cc(Cl)cc(NS(=O)(=O)N2CCCCC2)c1
BDBM50228104 Nc1nc(cs1)-c1nc2ccccc2[nH]1
BDBM50228146 [O-][N+](=O)c1ccc(NS(=O)(=O)N2CCCCC2)cc1
BDBM50228147 CC1CN(CC(C)O1)C(=O)CSc1ccc(C)cc1 |w:1.0,5.5|
BDBM50228148 Fc1ccc(Cn2c(nc3ccccc23)-c2cscn2)c(Cl)c1
BDBM50228149 CC(C)c1ccc(C)cc1OCCNC(=O)c1ccccc1OCC(=O)N1CCOCC1
BDBM50228150 Clc1ccc(SCC(=O)N2CCOCC2)cc1
BDBM50228151 Fc1ccccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228152 Brc1ccccc1Cn1c(nc2ccccc12)-c1cscn1
BDBM50228107 Cc1ccc(cc1)S(=O)(=O)CC(=O)N1CCOCC1
BDBM50228109 CCOc1ccc(NS(=O)(=O)N2CCCCC2)cc1
BDBM50228153 Cc1ccc(NS(=O)(=O)N2CCCCC2)c(C)c1
BDBM50228154 CC(C)c1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228110 Cc1nnc(SCC2=NOCC2)n1-c1ccccc1 |t:7|
BDBM50228111 Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1
BDBM50228112 CCc1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228113 CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228155 C(Cc1nnn[nH]1)Cn1c(nc2ccccc12)-c1cscn1
BDBM50228156 CCOc1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228157 Cc1cc(ccc1OCC(=O)N1CCOCC1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
BDBM50228114 COc1ccc(CCC(=O)N2CCOCC2)cc1
BDBM50228115 Brc1ccc(NS(=O)(=O)N2CCCCC2)cc1
BDBM50228158 O=C(CSc1ccc2ccccc2c1)N1CCOCC1
BDBM50228159 COC(=O)C1COCCN1C(=O)C(F)(F)Sc1ccc(cc1)C(C)C |w:4.3|
BDBM50228160 CCc1ccccc1OCC(=O)N1CCOCC1
BDBM50228116 O=C(COc1ccc2OCOc2c1)N1CCOCC1
BDBM50228117 N#Cc1ccccc1Cn1c(nc2ccccc12)-c1cscn1
BDBM50228118 O=C(COc1ccc(NC(=O)c2cccnc2)cc1)N1CCOCC1
BDBM50228161 CC(=O)c1cccc(NS(=O)(=O)N2CCCCC2)c1
BDBM50228162 CC1CN(CC(C)O1)C(=O)COc1ccc(C)c(C)c1 |w:1.0,5.5|
BDBM50228163 CC1CN(CC(C)O1)C(=O)COc1cc(C)c(Cl)c(C)c1 |w:1.0,5.5|
BDBM50228119 Fc1ccccc1OCC(=O)N1CCOCC1
BDBM50228120 Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1Cl
BDBM50228121 OC(=O)c1cc(ccc1SCC(=O)N1CCOCC1)C(F)(F)F
BDBM50228122 COC(=O)C1COCCN1C(=O)CS(=O)(=O)c1ccc(cc1)C(C)C |w:4.3|
BDBM50228164 Clc1cccc(OCC(=O)N2CCOCC2)c1
BDBM50228165 Clc1cccc(Cl)c1Cn1c(nc2ccccc12)-c1cscn1
BDBM50228166 Clc1ccc(NC(=O)Cn2c(nc3ccccc23)-c2cscn2)cc1
BDBM50228123 CC(C)c1ccc(OCC(=O)N2CCOCC2)cc1C
BDBM50228124 Clc1ccc(OCC(=O)N2CCOCC2)c(Cl)c1
BDBM50228167 Cc1ccc2cccc(SCC(=O)N3CCOCC3)c2n1
BDBM50228168 CC(C)c1ccc(CCC(=O)N2CCOCC2)cc1
BDBM50228169 Clc1ccccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
BDBM50228125 COc1cc2c(cc1NS(=O)(=O)N1CCCCC1)oc1ccccc21
BDBM50228126 COc1cc(CNCc2cccs2)ccc1OCC(=O)N1CCOCC1
BDBM50228170 Nc1cccc(OCC(=O)N2CCOCC2)c1
BDBM50228171 CC(C)c1ccc(SCC(O)=O)cc1
BDBM50228172 Cc1ccc(Cl)cc1NS(=O)(=O)N1CCCCC1
BDBM50228127 O=C(CSc1ccccc1)N1CCOCC1
BDBM50228128 Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
BDBM50228129 Cc1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl
BDBM50228130 Clc1cccc(NC(=O)c2ccccc2OCC(=O)N2CCOCC2)c1Cl
BDBM50228131 Cc1cc(N)cc(C)c1OCC(=O)N1CCOCC1
BDBM50228132 CC(C)c1ccc(cc1)S(=O)(=O)CC(=O)N1CCOCC1C(=O)OCCCc1ccc[n+]([O-])c1 |w:20.22|
BDBM50228133 Cc1ccc(OCC(=O)N2CCOCC2)cc1C
BDBM50228134 CC(C)c1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl
BDBM50228135 C(c1ccc(cc1)-c1nnn[nH]1)n1c(nc2ccccc12)-c1cscn1
BDBM50228136 O=C(COc1ccc(cc1)S(=O)(=O)NC1CCCC1)N1CCOCC1
BDBM50228137 O=S(=O)(Nc1ccc2c(c1)oc1ccccc21)N1CCCCC1
BDBM50228138 O=C(COc1ccccc1)N1CCOCC1
BDBM50228139 CC(C)c1ccc(SCC(=O)N2CCOCC2C(=O)OCCCc2cccnc2)cc1 |w:16.17|
BDBM50280857 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
BDBM50284187 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](OCc2ccco2)[C@H](O)C1 |c:3|
BDBM50284188 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](OCc2cccs2)[C@H](O)C1 |c:3|
BDBM50284189 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](OC\C=C\C)[C@H](O)C1 |c:3|
BDBM50284190 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)OCc1cccs1 |c:3|
BDBM50284192 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 |c:3|
BDBM50284193 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](OCC=C)[C@H](O)C1 |c:3|
BDBM50284194 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 |c:3|
BDBM50284195 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](OCc2ccsc2)[C@H](O)C1 |c:3|
BDBM50284196 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](OC(C)C=C)[C@H](O)C1 |c:3|
BDBM50284197 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)OCC=C |c:3|
BDBM50284198 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)OCc1ccsc1 |c:3|
BDBM50282772 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
BDBM50282773 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
BDBM50283514 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|
BDBM50283515 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|
BDBM50284184 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|
BDBM50284291 COc1ccc(CCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
BDBM50285470 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
BDBM50285471 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
BDBM50284185 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|
BDBM50285472 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|
BDBM50285473 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
BDBM50285474 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|
BDBM50284183 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|
BDBM50282695 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
BDBM50282696 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
BDBM50282697 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
BDBM50282698 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
BDBM50283509 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|
BDBM50283510 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|
BDBM50284186 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)OCc1ccco1 |c:3|
BDBM50283511 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|
BDBM50283512 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|
BDBM50283513 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|
BDBM50288762 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCCOC2=O
BDBM50288763 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(COCc1ccccc1)COC2=O
BDBM50288764 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
BDBM50288765 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
BDBM50288766 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
BDBM50288767 CCC(C)(C)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCOC2=O
BDBM50288768 CCC(C)(C)C(=O)C(=O)N1C2CCCC1C(=O)OCCCCOC2=O
BDBM50288769 CC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50287766 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|
BDBM50287767 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|
BDBM50287768 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|
BDBM50287769 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|
BDBM50287770 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|
BDBM50287771 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|
BDBM50287764 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|
BDBM50287765 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|
BDBM50335218 CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)CC
BDBM50335220 CCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
BDBM50335219 CCOC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1
BDBM50335221 CCOC(=O)C1CCCCN1S(=O)(=O)c1cccc(c1)[N+]([O-])=O
BDBM50335222 CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)c1ccccc1
BDBM50335223 CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1
BDBM50335224 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
BDBM50335225 COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
BDBM50335226 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1OC
BDBM50335227 [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1cccnc1
BDBM50335228 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc(OC)c1OC
BDBM50335229 Nc1cccc(c1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1cccnc1
BDBM50335230 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(N)c2)cc(OC)c1OC
BDBM50388265 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388266 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3nc(C)sc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388267 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|
BDBM50388268 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|
BDBM50388269 COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388270 Oc1c(Cl)cc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1 |r|
BDBM50388271 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(cc2)-c2ncccn2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388272 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388273 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388274 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccoc2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388275 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3ccccc3s2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388276 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(c2)C#N)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388277 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccncn2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388278 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388279 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(Br)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388280 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388281 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388282 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388283 COc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
BDBM50388284 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(F)cc(F)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388285 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|
BDBM50388286 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|
BDBM50388287 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|
BDBM50388288 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|
BDBM50388289 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|
BDBM50388290 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|
BDBM50388291 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3CCOc3c(c2)[N+]([O-])=O)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388292 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3CCOc3c(N)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388293 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388294 COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC |r|
BDBM50388295 COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)cc1OC |r|
BDBM50388296 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
BDBM50388297 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
BDBM50388298 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
BDBM50388299 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
BDBM50388300 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
BDBM50388301 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(N)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388302 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3NC(=O)Cc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388303 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|
BDBM50388304 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|
BDBM50388305 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|
BDBM50388306 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
BDBM50388307 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC |r|
BDBM50388308 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCOc1ccc(OC)c(OC)c1 |r|
BDBM50388309 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r|
BDBM50388310 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r|
BDBM50388311 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1 |r|
BDBM50388312 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|
BDBM50388313 COc1cc(cc(OC)c1OC)C(=O)C(=O)N(C)[C@@H](Cc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)C(CCc1ccncc1)CCc1ccncc1
BDBM50388314 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|
BDBM50388315 COc1ccc(CCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)cc1OC |r|
BDBM50388316 COc1ccc(OCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)cc1OC |r|
BDBM50388317 CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCOc1ccc(OC)c(OC)c1 |r|
BDBM50388318 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
BDBM50388319 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|
BDBM50388320 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|
BDBM50388321 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|
BDBM50388322 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|
BDBM50388323 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|
BDBM50388324 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|
BDBM50388325 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|
BDBM50388326 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|
BDBM50388263 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccnc(C)n2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50388264 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50408108 CCCN1CC[C@@H]2CCC[C@H](N2C1=O)C(=O)OC
BDBM50408109 CC(C)(CO)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50408110 CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1
BDBM50408684 CC[C@@H]1\C=C(C)/[C@@H](O)[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](C1)OC |t:3|
BDBM50408094 COc1cc(CCCOC(=O)[C@@H]2CCCCN2C(=O)NCC(C)(C)C)cc(OC)c1OC
BDBM50408095 COC(=O)[C@@H]1CCC[C@H]2CCN(Cc3ccccc3)C(=O)N12
BDBM50408096 CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1
BDBM50408097 CC(=C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50408098 CCCN1CC[C@@H]2CCC[C@H](N2C1=O)C(=O)OCc1ccccc1
BDBM50408099 CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCCCCc2ccccc2)CCCCC1
BDBM50408100 CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CCCC1
BDBM50408101 COc1cccc(CCCOC(=O)[C@@H]2CCCCN2C(=O)NCC(C)(C)C)c1
BDBM50408102 CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccccc1
BDBM50408103 CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50408104 CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2cccc(Oc3ccccc3)c2)CCCCC1
BDBM50408105 CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CCCCC1
BDBM50408106 O=C(OCc1ccccc1)[C@@H]1CCC[C@H]2CCN(Cc3ccccc3)C(=O)N12
BDBM50408107 O=C(NCc1ccccc1)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50400862 COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1cccnc1 |r|
BDBM50409932 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)C=C
BDBM50403330 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|
BDBM50403331 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|
BDBM50403332 CC1(C)COC(=O)CCCCCCCCC(=O)c2cccc(c2)C(CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O
BDBM50403333 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|
BDBM50403334 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|
BDBM50403335 CC1(C)CCC(=O)CCCCC(=O)OCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1ccccc1
BDBM50403336 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
BDBM50403337 CC1(C)COC(=O)CCCCC(=O)C=CC(C)(C)[C@@H](CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O |w:13.12|
BDBM50403338 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|
BDBM50403339 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(c1)C(=O)c1ccccc1
BDBM50403340 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)\C=C\C(=O)c1ccccc1
BDBM50403341 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|
BDBM50403374 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|
BDBM50403486 COC[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50403487 COC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50403488 [#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
BDBM50403489 COC(\C=C/C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50403490 COC(CC(C)C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50431519 CC(C)(O)c1ccc(cn1)-c1cnc2NC(=O)CN(CC3CCOCC3)c2n1
BDBM50432735 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|
BDBM50432736 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|
BDBM50432737 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|
BDBM50432738 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|
BDBM50432739 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|
BDBM50125326 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)CC2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50125327 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50125328 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50125329 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50125331 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|
BDBM50125332 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|
BDBM50125333 COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
BDBM50092779 COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O
BDBM50092781 Cc1nc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1
BDBM50092782 Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1
BDBM50092783 CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)|
BDBM50092787 CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1
BDBM50092788 CC(C)(O)c1ccc(cn1)-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1
BDBM50093068 Cc1nc(ccc1-c1cnc2NCC(=O)N(CCN3CCOCC3)c2n1)-c1nc[nH]n1
BDBM50093069 Cc1nc(ccc1-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1)-c1nc[nH]n1
BDBM50093070 CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wD:5.5,2.1,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)|
BDBM50093071 CO[C@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wU:2.1,wD:5.5,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)|
BDBM50093073 CO[C@H]1CC[C@@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
BDBM50093074 CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
BDBM50093076 Cc1nc(ccc1-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,wD:19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;1.32,7.39,;2.66,5.39,;2.66,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
BDBM50093078 CC(C)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
BDBM50093079 COCCN1CC(=O)Nc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
BDBM50093080 COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
BDBM50093081 CCN1CC(=O)Nc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
BDBM50092768 CO[C@H]1CC[C@@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-8.02,3.85,;-9.08,3.23,;-9.08,4.47,;-8.02,5.08,)|
BDBM50092770 CO[C@H]1CC[C@H](CN2CC(=O)Nc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wU:2.1,wD:5.5,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-8.02,3.85,;-9.08,3.23,;-9.08,4.47,;-8.02,5.08,;2.68,5.39,;4.01,6.15,)|
BDBM50093072 CO[C@H]1CC[C@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 |r,wU:5.8,2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;2.66,5.39,;2.66,3.85,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
BDBM50093075 Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
BDBM50092767 CO[C@H]1CC[C@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wD:2.1,5.8,(-2.38,8.32,;-1.32,7.7,;-1.32,6.16,;-2.65,5.39,;-2.66,3.85,;-1.33,3.08,;.01,3.84,;.01,5.38,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;4,1.54,;3.99,3.08,;5.33,3.85,;6.66,3.08,;6.66,1.54,;5.33,.77,;7.99,3.86,;9.06,3.24,;9.06,4.47,;7.99,5.09,)|
BDBM50092773 CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1
BDBM50093077 Cc1nc(ccc1-c1cnc2NCC(=O)N(C3CCOCC3)c2n1)-c1nc[nH]n1
BDBM50093082 CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
BDBM50117874 CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
BDBM50162664 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|
BDBM50162665 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|
BDBM50162666 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM50162667 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 |r|
BDBM50162668 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C(N)=O)c1ccccc1 |r|
BDBM50162684 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(N)=O |r|
BDBM50162654 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCCC(N)=O |r|
BDBM50162655 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C(N)=O |r|
BDBM50162656 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C)C(N)=O |r|
BDBM50162657 CC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O |r|
BDBM50162658 CC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O |r|
BDBM257513 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C\C=C(C)\[C@@H](O)CC(=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)CC1 |r,wU:21.22,7.7,9.9,53.56,30.32,35.37,wD:4.11,38.40,50.52,47.50,2.1,c:29,t:42,44,46,(-3.31,-9.4,;-1.96,-8.65,;-1.94,-7.11,;-3.33,-7.67,;-4.67,-6.9,;-6,-7.67,;-7.34,-6.9,;-7.34,-5.36,;-8.67,-4.59,;-6,-4.59,;-7.34,-3.82,;-4.67,-5.36,;-6,-3.05,;-7.34,-2.28,;-4.67,-2.28,;-3.33,-3.05,;-4.67,-.74,;-6,.03,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-2,-2.28,;-.67,.03,;-.67,1.57,;3.33,1.93,;4.67,1.15,;4.67,-.38,;3.33,-1.15,;6,-1.15,;7.34,-.38,;6,-2.69,;7.34,-3.47,;8.67,-2.69,;7.34,-5,;6,-5.78,;8.11,-6.34,;7.34,-7.67,;8.11,-9.01,;6,-6.9,;4.67,-7.67,;3.33,-6.9,;2,-7.67,;.67,-6.9,;-.67,-7.67,;-.67,-9.21,;-2,2.34,;-3.33,3.11,;-2,3.88,;-1.23,5.21,;.31,5.21,;1.08,6.54,;.31,7.88,;1.08,9.21,;-1.23,7.88,;-2,6.54,)|
BDBM257514 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@](O)(CC(=O)N3CCCC[C@H]3C(=O)OC(CC(=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)CC1)O2 |r,wU:19.19,7.7,9.9,45.47,27.28,wD:4.52,30.31,42.43,39.41,2.1,t:33,35,37,(-3.31,-9.4,;-1.96,-8.65,;-1.94,-7.11,;-3.33,-7.67,;-4.67,-6.9,;-6,-7.67,;-7.34,-6.9,;-7.34,-5.36,;-8.67,-4.59,;-6,-4.59,;-7.34,-3.82,;-6,-3.05,;-4.67,-2.28,;-3.33,-3.05,;-4.67,-.74,;-6,.03,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-2,-2.28,;-.67,.03,;-.67,1.57,;.67,2.34,;7.34,-3.47,;8.67,-2.69,;7.34,-5,;6,-5.78,;8.11,-6.34,;7.34,-7.67,;8.11,-9.01,;6,-6.9,;4.67,-7.67,;3.33,-6.9,;2,-7.67,;.67,-6.9,;-.67,-7.67,;-.67,-9.21,;-2,2.34,;-3.33,3.11,;-2,3.88,;-1.23,5.21,;.31,5.21,;1.08,6.54,;.31,7.88,;1.08,9.21,;-1.23,7.88,;-2,6.54,;-4.67,-5.36,)|
BDBM257515 CO[C@@H]1C[C@H](C[C@@H](C)C2C\C=C(C)\[C@@H](O)CC(=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 |r,c:10,27,t:23,25|
BDBM257516 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@](O)(CC(=O)N3CCCC[C@H]3C(=O)OC(C\C=C(C)\[C@@H](O)CC(=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](O)C1)O2 |r,c:26,t:39,41,43|
BDBM257517 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C\C=C(C)\[C@@H](O)CC(=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](O)C1 |r,c:29,t:42,44,46|
BDBM257518 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@](O)(CC(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)C(\C)=C\CC(O)[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](O)C1)O2 |r,t:33,35,37|
BDBM257519 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)Cc1ccc(CO)s1 |r,c:29,t:42,44,46|
BDBM257520 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)Cc1ccncc1 |r,c:29,t:42,44,46|
BDBM257521 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)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=C1/C)[C@H](C)C[C@H]1CC[C@H](O)CC1 |r,wU:21.22,7.7,9.9,37.39,42.44,60.63,wD:4.11,45.47,25.56,54.57,57.59,32.34,2.1,c:36,t:49,51,53,(-4.64,-8.27,;-3.3,-7.52,;-3.27,-5.98,;-4.67,-6.54,;-6,-5.78,;-7.34,-6.54,;-8.67,-5.78,;-8.67,-4.23,;-10,-3.47,;-7.34,-3.47,;-8.67,-2.69,;-6,-4.23,;-7.34,-1.93,;-8.67,-1.15,;-6,-1.15,;-4.67,-1.93,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-4.67,2.69,;-4.67,1.15,;-3.33,.38,;-3.33,-1.15,;-2,1.15,;-2,2.69,;-.67,3.47,;.67,2.69,;.67,1.15,;2,3.47,;3.33,2.69,;3.33,1.15,;4.67,3.47,;4.67,5,;6,2.69,;6,1.15,;4.67,.38,;7.34,.38,;8.67,1.15,;7.34,-1.15,;8.67,-1.93,;10,-1.15,;8.67,-3.47,;7.34,-4.23,;7.34,-5.78,;6,-6.54,;6,-8.08,;4.67,-5.78,;3.33,-6.54,;2,-5.78,;.67,-6.54,;-.67,-5.78,;-2,-6.54,;-2,-8.08,;-3.33,3.47,;-4.67,4.23,;-3.33,5,;-2,5.78,;-.67,5,;.67,5.78,;.67,7.31,;2,8.08,;-.67,8.08,;-2,7.31,)|
BDBM257522 C[C@@H]1CC[C@H]2C[C@H](O)\C(C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)C3CCC(CC3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]1(O)O2 |r,wU:31.37,18.18,1.0,41.44,wD:4.46,6.6,15.15,t:9,11,13,(-8.73,-1.15,;-7.4,-1.93,;-7.4,-3.47,;-6.07,-4.23,;-4.73,-3.47,;-3.4,-4.23,;-2.07,-3.47,;-2.07,-1.93,;-.73,-4.23,;-.73,-5.78,;.6,-3.47,;1.93,-4.23,;3.27,-3.47,;4.6,-4.23,;5.94,-3.47,;7.4,-3.94,;8.17,-5.27,;8.31,-2.69,;7.4,-1.45,;5.94,-1.93,;7.4,.09,;8.73,.86,;4.63,2.18,;3.86,.84,;2.32,.84,;1.55,2.18,;2.32,3.51,;3.86,3.51,;-.73,3.47,;-2.07,2.69,;-2.07,1.15,;-3.4,3.47,;-3.4,5,;-4.73,5.78,;-6.07,5,;-6.07,3.47,;-4.73,2.69,;-4.73,1.15,;-3.4,.38,;-6.07,.38,;-7.4,1.15,;-6.07,-1.15,;-7.4,-.38,;-4.73,-1.93,)|
BDBM257523 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@](O)(CC(=O)N3CCCC[C@H]3C(=O)OC(C\C=C(C)\[C@@H](O)CC(=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)CC1)O2 |r,wU:19.19,9.9,7.7,51.53,33.34,28.29,wD:4.58,36.37,48.49,45.47,2.1,c:26,t:39,41,43,(-.77,-3.25,;-2.1,-4.02,;-2.1,-5.56,;-3.44,-6.33,;-4.77,-5.56,;-6.1,-6.33,;-7.44,-5.56,;-7.44,-4.02,;-8.77,-3.25,;-6.1,-3.25,;-7.44,-2.48,;-6.1,-1.71,;-4.77,-.94,;-3.44,-1.71,;-4.77,.6,;-6.1,1.37,;-6.1,2.91,;-4.77,3.68,;-3.44,2.91,;-3.44,1.37,;-2.1,.6,;-2.1,-.94,;-.77,1.37,;-.77,2.91,;3.92,3.18,;5.26,2.41,;5.26,.87,;3.92,.1,;6.59,.1,;7.92,.87,;6.59,-1.44,;7.92,-2.21,;9.26,-1.44,;7.92,-3.75,;6.44,-4.15,;8.32,-5.24,;7.23,-6.33,;7.64,-7.84,;5.9,-5.56,;4.57,-6.33,;3.23,-5.56,;1.9,-6.33,;.56,-5.56,;-.77,-6.33,;-.77,-7.87,;-2.1,3.68,;-3.59,4.08,;-2.1,5.22,;-1.33,6.55,;.21,6.55,;.98,7.89,;.21,9.22,;.98,10.56,;-1.33,9.22,;-2.1,7.89,;-4.77,-4.02,)|
BDBM257524 C[C@H](C[C@H]1CC[C@H](O)CC1)[C@@H]1C\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)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1 |r,wU:52.54,40.41,38.39,6.6,20.21,15.16,wD:35.43,23.24,3.2,1.0,10.58,32.33,c:13,30,t:26,28,(-4.82,-16.51,;-3.33,-16.91,;-3.33,-15.37,;-2,-14.6,;-.67,-15.37,;.67,-14.6,;.67,-13.06,;2,-12.29,;-.67,-12.29,;-2,-13.06,;-2,-17.68,;-.67,-16.91,;6,-17.68,;6,-19.22,;4.67,-19.99,;7.34,-19.99,;8.67,-19.22,;7.34,-21.53,;8.67,-22.3,;10,-21.53,;8.67,-23.84,;7.18,-24.24,;8.05,-26.15,;6,-26.92,;6,-28.46,;4.67,-26.15,;3.33,-26.92,;2,-26.15,;.67,-26.92,;-.67,-26.15,;-2,-26.92,;-2,-28.46,;-3.33,-26.15,;-3.33,-24.61,;-4.67,-26.92,;-6,-26.15,;-7.34,-26.92,;-8.67,-26.15,;-8.67,-24.61,;-10,-23.84,;-7.34,-23.84,;-8.67,-23.07,;-6,-24.61,;-7.34,-22.3,;-8.67,-21.53,;-6,-21.53,;-4.67,-22.3,;-6,-19.99,;-7.34,-19.22,;-7.34,-17.68,;-6,-16.91,;-4.67,-17.68,;-4.67,-19.22,;-3.33,-19.99,;-3.33,-21.53,;-2,-19.22,)|
BDBM257525 CO[C@H]1C[C@@H]2CC[C@@H](C)[C@](O)(CC(=O)N3CCCC[C@H]3C(=O)O[C@@H](C\C=C(C)\[C@@H](O)[C@@H](O)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)CC1)O2 |r,wU:19.19,9.9,7.7,34.35,28.29,52.54,wD:4.59,37.38,49.50,46.48,23.23,2.1,30.31,c:26,t:40,42,44,(-1.01,-24.29,;-2.35,-25.06,;-2.35,-26.6,;-3.68,-27.37,;-5.01,-26.6,;-6.35,-27.37,;-7.68,-26.6,;-7.68,-25.06,;-9.01,-24.29,;-6.35,-24.29,;-7.68,-23.52,;-6.35,-22.75,;-5.01,-21.98,;-3.68,-22.75,;-5.01,-20.44,;-6.35,-19.67,;-6.35,-18.13,;-5.01,-17.36,;-3.68,-18.13,;-3.68,-19.67,;-2.35,-20.44,;-2.35,-21.98,;-1.01,-19.67,;-1.01,-18.13,;.32,-17.36,;5.01,-18.63,;5.01,-20.17,;3.68,-20.94,;6.35,-20.94,;7.68,-20.17,;6.35,-22.48,;5.01,-23.25,;7.68,-23.25,;9.01,-22.48,;7.68,-24.79,;6.19,-25.19,;8.08,-26.28,;6.99,-27.37,;7.4,-28.89,;5.66,-26.6,;4.32,-27.37,;2.99,-26.6,;1.66,-27.37,;.32,-26.6,;-1.01,-27.37,;-1.01,-28.91,;-2.35,-17.36,;-3.68,-16.59,;-2.35,-15.82,;-1.26,-14.73,;.23,-15.13,;1.32,-14.04,;.92,-12.55,;2.01,-11.47,;-.57,-12.16,;-1.66,-13.24,;-5.01,-25.06,)|
BDBM257526 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@H](C)\C=C\C=C\C=C1/C)C(C)=CC[C@H](O)[C@H](C)C[C@H]1CC[C@H](O)CC1 |r,wU:21.22,9.9,7.7,29.31,53.56,wD:4.11,32.34,50.52,47.50,2.1,25.43,45.48,t:36,38,40,(-.62,-3.93,;-1.95,-4.7,;-1.95,-6.24,;-3.29,-7.01,;-4.62,-6.24,;-5.95,-7.01,;-7.29,-6.24,;-7.29,-4.7,;-8.62,-3.93,;-5.95,-3.93,;-7.29,-3.16,;-4.62,-4.7,;-5.95,-2.39,;-7.29,-1.62,;-4.62,-1.62,;-3.29,-2.39,;-4.62,-.08,;-5.95,.69,;-5.95,2.23,;-4.62,3,;-3.29,2.23,;-3.29,.69,;-1.95,-.08,;-1.95,-1.62,;4.07,-.58,;5.41,.19,;5.41,-1.35,;8.07,-2.89,;9.41,-2.12,;8.07,-4.43,;6.59,-4.83,;8.47,-5.92,;7.38,-7.01,;7.79,-8.52,;6.05,-6.24,;4.72,-7.01,;3.38,-6.24,;2.05,-7.01,;.72,-6.24,;-.62,-7.01,;-.62,-8.55,;1.96,1.38,;4.48,2.15,;1.96,2.92,;.63,3.69,;-.46,2.6,;.63,1.51,;-1.95,3,;-3.29,3.77,;-1.95,4.54,;-.86,5.63,;.62,5.23,;1.71,6.32,;1.32,7.81,;2.4,8.9,;-.17,8.21,;-1.26,7.12,)|
BDBM257527 CO[C@@H](C[C@H]1CC[C@H](C)[C@](O)(O1)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@H](C\C=C(/C)C=O)[C@@H](C)C[C@H]1CC[C@H](O)CC1)C(\C)=C\C=C\C=C\[C@H](C)C[C@@H](C)C(=O)CO |r,wU:21.23,9.9,7.7,52.55,38.40,wD:9.12,4.3,49.52,35.36,32.34,25.26,2.1,(-4.06,6.54,;-4.06,5,;-2.73,4.23,;-2.73,2.69,;-4.06,1.92,;-5.4,2.69,;-6.73,1.92,;-6.73,.38,;-8.06,-.39,;-5.4,-.39,;-4.41,-1.57,;-4.06,.38,;-6.38,-1.57,;-7.9,-1.3,;-5.86,-3.02,;-4.34,-3.29,;-6.85,-4.2,;-8.36,-3.93,;-9.35,-5.11,;-8.83,-6.56,;-7.31,-6.82,;-6.32,-5.64,;-4.8,-5.91,;-3.81,-4.73,;-4.28,-7.36,;-2.76,-7.63,;-1.77,-6.45,;-.25,-6.71,;.73,-5.53,;.21,-4.09,;2.25,-5.8,;3.24,-4.62,;-2.23,-9.07,;-3.22,-10.25,;-.72,-9.34,;-.19,-10.79,;-1.18,-11.97,;-.65,-13.42,;.86,-13.68,;1.39,-15.13,;1.85,-12.5,;1.33,-11.06,;-1.39,5,;-1.39,6.54,;-.06,4.23,;1.27,5,;2.61,4.23,;3.94,5,;5.27,4.23,;6.61,5,;6.61,6.54,;7.94,4.23,;9.28,5,;9.28,6.54,;10.61,4.23,;10.61,2.69,;11.94,5,;13.28,4.23,)|
BDBM257528 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](C[C@@H](C)C\C(C)=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |c:45|
BDBM257529 [H]C12CCC(C)C(O)(O1)C(=O)C(=O)N1CCCCC1C(=O)OC(C\C=C(CC)/C(O)C(C)CC(C)\C=C(C)/C(O)CC(O)CC(O)C(C)C(O)C2)C(\C)=C\C(C)C(C)=O |t:26,37|
BDBM50162659 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C(N)=O |r|
BDBM50162669 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50162670 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
BDBM50162671 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
BDBM50162680 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
BDBM50162681 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O |r|
BDBM50162660 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)CC(N)=O |r|
BDBM50162662 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(C)C)C(N)=O |r|
BDBM50162663 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50162682 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CC1)C(N)=O |r|
BDBM50162661 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
BDBM50162701 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(=O)NCC(N)=O |r|
BDBM50162673 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
BDBM50162676 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCO)C(N)=O |r|
BDBM50162677 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCO)C(N)=O |r|
BDBM50162675 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)C(N)=O |r|
BDBM50162679 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC(N)=O)C(N)=O |r|
BDBM50162503 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCC(N)=O |r|
BDBM50162623 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCC(N)=O |r|
BDBM50162672 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(N)=O |r|
BDBM50162683 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCC1)C(N)=O |r|
BDBM50162685 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCCC1)C(N)=O |r|
BDBM50162699 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCOCC1)C(N)=O |r|
BDBM50162502 COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCC(N)=O |r|
BDBM50079777 [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[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:39|