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527 SMILES Strings for Phospholipase A2, membrane associated

Compound NameSMILES String
BDBM50242184 [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
BDBM18207 [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
BDBM23971 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
BDBM23738 COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1
BDBM23740 CCCCCOc1ccccc1Cn1c(C)c(CC(N)=O)c2cc(OC)ccc12
BDBM23741 COc1ccc2n(Cc3ccccc3OCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
BDBM23742 COc1ccc2n(Cc3ccccc3OCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
BDBM23743 COc1ccc2n(Cc3ccccc3OCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
BDBM23744 COc1ccc2n(Cc3ccccc3OCCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
BDBM23745 COc1ccc2n(Cc3ccccc3OCCCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
BDBM23746 COc1ccc2n(Cc3ccccc3OCCCCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
BDBM23747 COc1ccc2n(Cc3ccccc3OCCCCCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
BDBM23748 COc1ccc2n(Cc3cccc(OCCCCCOc4cccc(Cn5c(C)c(CC(N)=O)c6cc(OC)ccc56)c4)c3)c(C)c(CC(N)=O)c2c1
BDBM23749 COc1ccc2n(Cc3ccc(OCCCCCOc4ccc(Cn5c(C)c(CC(N)=O)c6cc(OC)ccc56)cc4)cc3)c(C)c(CC(N)=O)c2c1
BDBM23750 CCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
BDBM23752 CCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
BDBM23753 CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
BDBM23754 CCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM23755 CCCCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM23756 CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM23757 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
BDBM23758 CCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
BDBM23759 CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
BDBM23760 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23761 CCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23762 CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23763 CCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23764 CCCCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23765 CCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23766 CCCCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23767 CCCCCCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23768 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(CCc2nc(=O)o[nH]2)cc1
BDBM23769 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(CCCc2nc(=O)o[nH]2)cc1
BDBM23770 CCCCCCCCCCCCCCOc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23771 CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
BDBM27684 COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
BDBM82302 NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
BDBM123738 OC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
BDBM123739 O[NH+]([O-])c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)cc1 |r|
BDBM123740 O[NH+]([O-])c1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)ccc1O |r|
BDBM123741 OC(=O)[C@H](CCC(=O)CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
BDBM123742 O[NH+]([O-])c1cccc(NC(=O)COc2ccc(\C=N\NC(=O)c3ccccc3[NH+](O)[O-])cc2)c1
BDBM123743 O[NH+]([O-])c1cc(cc(c1)C(=O)Oc1cccc(\C=N\NC(=O)COc2ccc3ccccc3c2)c1)[NH+](O)[O-]
BDBM50000541 CC(N(O)C(N)=O)c1cc2ccccc2s1
BDBM50003446 ON(Cc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
BDBM50003447 ON(\C=C/C(=O)c1ccc(F)cc1)C1CCCCC1
BDBM50003448 CC(=O)ON(Cc1ccccc1)C=CC(=O)c1ccc(F)cc1 |w:12.12|
BDBM50003410 CON(Cc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
BDBM50009004 O=C1CCN(N1)c1ccccc1
BDBM50015214 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
BDBM50029031 Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50055412 CC(NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(O)c3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1
BDBM50040455 CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O
BDBM50040458 CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
BDBM50040466 OC(=O)C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
BDBM50040460 CCCCCC\C=C\CC(=O)N[C@H](CCC(O)=O)CSc1ccc2ccccc2c1
BDBM50040461 OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
BDBM50046064 CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(c1)C(O)=O
BDBM50046065 CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(c1)N(CC(O)=O)CC(O)=O
BDBM50053134 CCc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(=O)NC
BDBM50053137 CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
BDBM50053170 CCc1c(Cc2ccccc2)c2ccc(OCCCC(O)=O)cn2c1C(=O)C(N)=O
BDBM50055420 COc1ccc(cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)S(=O)(=O)c1ccc(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
BDBM50055422 COc1cc(OC)c(cc1Oc1cc(C)c(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
BDBM50055423 COC1=C(C(O)=O)C(C)=C(C)C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)cc(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)C1C |c:2,t:8|
BDBM50055424 COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)CCC(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
BDBM50055425 COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(O)=O)c(OC)c1C
BDBM50055426 COc1ccc(cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)S(=O)c1ccc(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
BDBM50055427 C[C@H](NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)OC3C(C)C(=O)C(C(O)=O)C(C)=C3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1 |c:30|
BDBM50055284 Cc1c(CC(N)=O)c2cc(OCCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055428 COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1
BDBM50055429 CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O |t:46|
BDBM50055285 Cc1c(CC(N)=O)c2cc(Oc3cccc(c3)C(O)=O)ccc2n1Cc1ccccc1
BDBM50055286 Cc1c(CC(N)=O)c2cc(CCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055287 Cc1c(CC(N)=O)c2c(OCCCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055288 NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCP([O-])([O-])=O)cc12
BDBM50055289 CCc1c(CC(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc(Cl)c1
BDBM50055290 NC(=O)Cc1cn(Cc2ccccc2)c2cccc(OCC(O)=O)c12
BDBM50055291 Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055292 NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCP(O)(O)=O)cc12
BDBM50055293 CCc1c(CC(N)=O)c2cc(OCCCC(O)=O)c(C)cc2n1Cc1ccccc1
BDBM50055294 Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1-c1ccccc1
BDBM50055295 CCc1c(CC(N)=O)c2cc(SCCCC(O)=O)c(cc2n1Cc1ccccc1)C(C)C
BDBM50055296 CCc1c(CC(N)=O)c2c(OCC(=O)NN)cccc2n1Cc1ccccc1
BDBM50055297 CSc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055298 CCc1c(CC(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055299 CCc1c(CC(N)=O)c2cc(SCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055300 NC(=O)Cc1cn(Cc2ccccc2)c2ccc(O)cc12
BDBM50055301 Cc1c(CC(N)=O)c2cc(OCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055302 Cc1c(CC(N)=O)c2cc(OCc3ccccc3C(O)=O)ccc2n1Cc1ccccc1
BDBM50055303 CCc1c(CC(N)=O)c2cc(OCCCP(O)(=O)OC)ccc2n1Cc1ccccc1
BDBM50055304 Cc1c(CC(N)=O)c2ccc(O)cc2n1Cc1ccccc1
BDBM50055305 Cc1c(CC(N)=O)c2c(OCC([O-])=O)cccc2n1Cc1ccccc1-c1ccccc1
BDBM50055306 CCc1c(CC(N)=O)c2cc(SCCCP([O-])([O-])=O)ccc2n1Cc1ccccc1
BDBM50055307 Cc1c(CC(N)=O)c2cc(SCCCC(O)=O)cc(C)c2n1Cc1ccccc1
BDBM50055308 Cc1c(CC(=O)NN)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055309 Cc1c(CC(N)=O)c2c(OCP(O)(O)=O)cccc2n1Cc1ccccc1
BDBM50055310 NC(=O)Cc1cn(Cc2ccccc2)c2ccc(OCP([O-])([O-])=O)cc12
BDBM50055311 Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)cc(C)c2n1Cc1ccccc1
BDBM50055312 CCc1c(CC(N)=O)c2cc(SCCCC(O)=O)c(C)cc2n1Cc1ccccc1
BDBM50055313 CCc1c(CC(N)=O)c2cc(SCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055314 NC(=O)Cc1c(Cl)n(Cc2ccccc2)c2ccc(OCCCC(O)=O)cc12
BDBM50055315 CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)c(C)cc2n1Cc1ccccc1
BDBM50055316 CCc1c(CC(N)=O)c2cc(OCCCS(O)(=O)=O)ccc2n1Cc1ccccc1
BDBM50055317 CCOC(=O)CCCOc1ccc2n(Cc3ccccc3)c(CC)c(CC(N)=O)c2c1
BDBM50055318 CSc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
BDBM50055319 CCCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
BDBM50055320 CCc1c(CC(N)=O)c2c(CC=C)c(O)ccc2n1Cc1ccccc1
BDBM50055321 NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCC(O)=O)cc12
BDBM50055322 Cc1c(CC(N)=O)c2ccc(OCCCC(=O)NN)cc2n1Cc1ccccc1
BDBM50055323 CCCc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
BDBM50055324 Cc1c(CC(N)=O)c2cc(OCCCC3=NNNN3)ccc2n1Cc1ccccc1 |t:14|
BDBM50055325 Cc1c(CC(N)=O)c2cc(NCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055326 Cc1c(CC(N)=O)c2ccc(OCCCCC(O)=O)cc2n1Cc1ccccc1
BDBM50055327 CCOC(=O)CCCOc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1
BDBM50055328 Cc1c(CC(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1
BDBM50055329 CCc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
BDBM50055330 Cc1c(CC(N)=O)c2c(O)cccc2n1Cc1ccccc1
BDBM50055331 Cc1c(CC(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055332 NC(=O)Cc1cn(Cc2ccccc2)c2ccc(OCCCC(O)=O)cc12
BDBM50055333 Cc1c(CC(N)=O)c2ccc(OCCCC(O)=O)cc2n1Cc1ccccc1
BDBM50055334 Cc1c(CC(N)=O)c2c(OCC([O-])=O)cccc2n1Cc1cccc(Cl)c1
BDBM50055335 Cc1c(CC(=O)NN)c2cc(OCCCP([O-])([O-])=O)ccc2n1Cc1ccccc1
BDBM50055336 Cc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
BDBM50055337 CCc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055338 Cc1c(CC(N)=O)c2cc(NCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055339 CCc1c(CC(N)=O)c2c(NC(O)=O)cccc2n1Cc1ccccc1
BDBM50055340 CCc1c(CC(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1
BDBM50055341 Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
BDBM50055342 NC(=O)Cc1cn(Cc2ccccc2)c2ccc(OCCCP(O)(O)=O)cc12
BDBM50055343 Cc1c(CC(N)=O)c2c(OCC(=O)NN)cccc2n1Cc1ccccc1
BDBM50055344 Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1CC1CCCCC1
BDBM50055345 Cc1c(CC(N)=O)c2c(O)cccc2n1Cc1cccc(Cl)c1
BDBM50055346 Cc1c(CC(N)=O)c2c(OCC([O-])=O)cccc2n1Cc1ccccc1
BDBM50055347 NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCC(O)=O)cc12
BDBM50055348 CCc1c(CC(N)=O)c2c(CC=C)c(OCCCP([O-])([O-])=O)ccc2n1Cc1ccccc1
BDBM50055349 CCc1c(CC(N)=O)c2cc(OCCCP(=O)(OC)OC)ccc2n1Cc1ccccc1
BDBM50055350 NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCP(O)(O)=O)cc12
BDBM50055351 NC(=O)Cc1c(Br)n(Cc2ccccc2)c2cc(Cl)c(OCCCC(O)=O)cc12
BDBM50055352 CCCCCCCCCCn1c(C)c(CC(N)=O)c2cc(OCCCC(O)=O)ccc12
BDBM50055353 CSc1c(CC(N)=O)c2cc(OCCCC(N)=O)ccc2n1Cc1ccccc1
BDBM50055354 Cc1c(CC(N)=O)c2ccc(OCCCC(N)=O)cc2n1Cc1ccccc1
BDBM50055355 CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1cccc(Cl)c1
BDBM50055356 NC(=O)Cc1c(Br)n(Cc2ccccc2)c2cc(Cl)c(O)cc12
BDBM50055357 Cc1c(CC(N)=O)c2cc(OCc3cccc(c3)C(O)=O)ccc2n1Cc1ccccc1
BDBM50055358 CCc1c(CC(N)=O)c2cc(OCc3ccccc3C(O)=O)ccc2n1Cc1ccccc1
BDBM50055359 Cc1c(CC(O)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055360 NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(O)cc12
BDBM50055361 COC(=O)COc1cccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c12
BDBM50055362 Cc1c(CC(N)=O)c2cc(OCCCS(O)(=O)=O)ccc2n1Cc1ccccc1
BDBM50055363 CCOC(=O)CCCCOc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1
BDBM50055364 Cc1c(CC(N)=O)c2cc(OCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055365 CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)c(cc2n1Cc1ccccc1)C(C)C
BDBM50055366 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055367 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc(Cl)c1
BDBM50055368 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc2ccccc12
BDBM50055369 CCCc1ccc2n(Cc3ccccc3)c(CC)c(C(=O)C(N)=O)c2c1OCC(O)=O
BDBM50055370 CCCCCCCCn1c(C)c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc12
BDBM50055371 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
BDBM50055372 CCc1c(C(=O)C(N)=O)c2c(OC(CCc3ccccc3)C(O)=O)cccc2n1Cc1ccccc1
BDBM50055373 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccc(F)cc1
BDBM50055374 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1Cc1ccccc1
BDBM50055375 CCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(O)=O)cccc2n1Cc1ccccc1
BDBM50055376 Cc1c(C(=O)C(N)=O)c2c(CCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055377 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccc(cc1)-c1ccccc1
BDBM50055378 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1c(Cl)cccc1Cl
BDBM50055379 NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2-c2ccccc2)c2cccc(OCC(O)=O)c12
BDBM50055380 CCc1c(C(=O)C(N)=O)c2c(CC(O)=O)cc(C)cc2n1Cc1ccccc1
BDBM50055381 NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(O)=O)c12
BDBM50055382 NC(=O)C(=O)c1cn(Cc2ccccc2)c2cccc(OCC(O)=O)c12
BDBM50055383 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055384 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc(c1)-c1ccccc1
BDBM50055385 CC(Oc1cccc2n(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12)C(O)=O
BDBM50055386 CCc1c(C(=O)C(N)=O)c2c(NCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055387 C[C@@H](Oc1cccc2n(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12)C(O)=O
BDBM50055388 CCc1c(C(=O)C(N)=O)c2c(SCCCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055389 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1C(=O)c1ccccc1
BDBM50055430 COC1=C(C(O)=O)C(C)=C(C)C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(OC)=C(C(O)=O)C(C)=C6C)c(OC)c5C)c(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)C1C |c:2,56,t:8,50|
BDBM50055431 COc1ccc(Oc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
BDBM50055433 COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
BDBM50055391 CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
BDBM50055392 Cc1c(C(=O)C(N)=O)c2c(C=CC(O)=O)cccc2n1Cc1ccccc1 |w:11.11|
BDBM50055393 CCc1c(C(=O)C(N)=O)c2c(O[C@@H](C)C(O)=O)cccc2n1Cc1ccccc1
BDBM50055394 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1Cl
BDBM50055395 C[C@H](Oc1cccc2n(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12)C(O)=O
BDBM50055396 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1C
BDBM50055397 CCc1c(C(=O)C(N)=O)c2c(cccc2n1Cc1ccccc1)N(CC(O)=O)C(C)=O
BDBM50055398 COc1cccc2n(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12
BDBM50055399 CCc1c(C(=O)C(N)=O)c2c(SCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055400 NC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(OCCCC(O)=O)cc12
BDBM50055401 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
BDBM50055402 CCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1
BDBM50055403 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)c(CC=C)ccc2n1Cc1ccccc1
BDBM50055404 CCc1c(C(=O)C(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50055405 CCc1c(C(=O)C(N)=O)c2c(CC(O)=O)cccc2n1S(=O)(=O)c1ccccc1
BDBM50055406 Cc1c(C(=O)C(N)=O)c2c(OCCCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
BDBM50055407 COc1cccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c12
BDBM50055408 CCCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
BDBM50055409 COc1ccc2n(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c2c1
BDBM50055410 CCc1c(C(=O)C(N)=O)c2c(cccc2n1Cc1ccccc1)N(CCC(O)=O)C(C)=O
BDBM50055411 CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(=O)C(C(O)=O)C(C)=C6C)c(O)c5C)c(O)c(C)c4O)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O |c:46,t:75|
BDBM50055390 CCc1[nH]c2cccc(CC(O)=O)c2c1C(=O)C(N)=O
BDBM50055413 COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)Oc6c(C)c(C)c(C(O)=O)c(OC)c6C)c(OC)c5C)c(O)c(C)c4O)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
BDBM50055414 COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)\C=C\C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
BDBM50055415 COc1c(C)c(OC)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(C)c1Cc1c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c(C)c1OC
BDBM50055416 COc1ccc(Oc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(O)=O)c(OC)c1C
BDBM50055417 COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)C4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(O)=O)c(OC)c6C)c(C)c5C[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(O)=O |c:18|
BDBM50055418 COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3cc(=O)cc(o3)C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
BDBM50055419 COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3cccc(c3)C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
BDBM50055736 CCCc1c(CC(=O)NN)c2cc(OC)ccc2n1Cc1ccccc1
BDBM50055737 COc1ccc2n(Cc3ccccc3)c(C)c(CC(O)=O)c2c1
BDBM50055738 COc1cc2c(CC(N)=O)c(Br)n(Cc3ccccc3)c2cc1Cl
BDBM50055739 CCc1c(C(=O)C(N)=O)c2cc(OC)ccc2n1Cc1ccccc1
BDBM50055740 CCCCCCCCCCn1c(C)c(CC(N)=O)c2cc(OC)ccc12
BDBM50055741 COc1ccc2n(Cc3ccccc3)cc(CC(=O)NN)c2c1
BDBM50055742 COc1ccc2n(Cc3ccccc3)c(C)c(CCC(N)=O)c2c1
BDBM50055743 COc1ccc2n(Cc3cccc(c3)[N+]([O-])=O)c(C)c(CC(=O)NN)c2c1
BDBM50055744 COc1ccc2n(Cc3ccccc3)c(C)c(C(O)C(N)=O)c2c1
BDBM50055745 COc1ccc2n(Cc3cccc(O)c3)c(C)c(CC(=O)NN)c2c1
BDBM50055746 COc1ccc2n(Cc3ccccc3-c3ccccc3)c(C)c(CC(=O)NN)c2c1
BDBM50055747 COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=S)c2c1
BDBM50055748 COc1ccc2n(Cc3ccccc3Cl)c(C)c(CC(=O)NN)c2c1
BDBM50055749 CCc1c(CC(N)=O)c2c(OC)cccc2n1Cc1ccccc1
BDBM50055750 COc1ccc2n(Cc3ccccc3)cc(CC(N)=O)c2c1
BDBM50055751 COc1ccc2n(CC3CCCCC3)c(C)c(CC(N)=O)c2c1
BDBM50055752 COc1ccc2n(Cc3ccccc3)c(C3CC3)c(CC(N)=O)c2c1
BDBM50055753 Cc1c(CC(=O)NN)c2cc(ccc2n1Cc1ccccc1)-c1ccccc1
BDBM50055754 CCc1c(CC(=O)NN)c2cc(OC)ccc2n1Cc1ccccc1
BDBM50055755 COc1ccc2n(Cc3cccc(N)c3)c(C)c(CC(=O)NN)c2c1
BDBM50055756 COc1ccc2n(Cc3cc(Cl)ccc3Cl)c(C)c(CC(=O)NN)c2c1
BDBM50055757 COc1ccc2n(Cc3c(Cl)cccc3Cl)c(C)c(CC(=O)NN)c2c1
BDBM50055758 COc1cccc(Cn2c(C)c(CC(=O)NN)c3cc(OC)ccc23)c1
BDBM50055759 COc1ccc2n(Cc3ccccc3)c(SC)c(CC(N)=O)c2c1
BDBM50055760 COc1ccc2n(Cc3ccccc3)c(Br)c(CC(=O)NN)c2c1
BDBM50055761 COc1ccc2n(Cc3ccccc3)c(C)c(C(C)C(=O)NN)c2c1
BDBM50055762 COc1ccc2n(CCCc3ccccc3)c(C)c(CC(=O)NN)c2c1
BDBM50055763 COc1cccc2n(Cc3ccccc3)c(C)c(CC(=O)NN)c12
BDBM50055764 COc1ccc2n(Cc3cccc(c3)-c3ccccc3)c(C)c(CC(=O)NN)c2c1
BDBM50055765 COc1ccc2n(Cc3ccccc3)c(C3CC3)c(CC(=O)NN)c2c1
BDBM50055766 CCCc1c(CC(N)=O)c2cc(OC)ccc2n1Cc1ccccc1
BDBM50055767 COc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1
BDBM50055768 CONC(=O)Cc1c(C)n(Cc2ccccc2)c2ccc(OC)cc12
BDBM50055769 Cc1c(CC(=O)NN)c2cc(Br)ccc2n1Cc1ccccc1
BDBM50055770 COc1ccc2c(C(=O)C(N)=O)c(C)n(Cc3ccccc3)c2c1
BDBM50055771 CCC(C(=O)NN)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12
BDBM50055772 CCc1c(C(=O)C(N)=O)c2c(cccc2n1Cc1ccccc1)[N+]([O-])=O
BDBM50055773 COc1ccc2n(Cc3ccccn3)c(C)c(CC(=O)NN)c2c1
BDBM50055774 CCCCCCCCCCn1c(C)c(CC(=O)NN)c2cc(OC)ccc12
BDBM50055775 COc1ccc2n(C(C)c3ccccc3)c(C)c(CC(=O)NN)c2c1
BDBM50055776 COc1ccc2n(Cc3cccc(Cl)c3)c(C)c(CC(N)=O)c2c1
BDBM50055777 COc1ccc2n(C(=O)c3ccccc3)c(C)c(CC(N)=O)c2c1
BDBM50055778 COc1ccc2n(Cc3ccccc3)c(C)c(CC(=O)NN)c2c1
BDBM50055779 CCc1c(CC(=O)NN)c2cc(OC)ccc2n1Cc1ccccc1-c1ccccc1
BDBM50055780 CCCCCCC(C(=O)NN)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12
BDBM50055781 COc1ccc2n(Cc3cccc(Cl)c3)c(C)c(CC(=O)NN)c2c1
BDBM50055782 Cc1c(CC(=O)NN)c2cc(ccc2n1Cc1cccc(Cl)c1)C(O)=O
BDBM50055783 COc1ccc2n(CCCc3ccccc3)c(C)c(CC(N)=O)c2c1
BDBM50055784 CCc1c(C(O)C(N)=O)c2c(OC)cccc2n1Cc1ccccc1
BDBM50055785 CCc1c(CC(N)=O)c2cc(OC)ccc2n1Cc1ccccc1
BDBM50055786 COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=N)c2c1
BDBM50055787 COc1cccc2n(Cc3cccc(Cl)c3)c(C)c(CC(N)=O)c12
BDBM50055788 COc1ccc2n(Cc3ccccn3)c(C)c(CC(N)=O)c2c1
BDBM50055789 Cc1c(CC(N)=O)c2cc(ccc2n1Cc1ccccc1)[N+]([O-])=O
BDBM50055790 COc1ccc2n(Cc3ccccc3)c(Cl)c(CC(=O)NN)c2c1
BDBM50055791 COc1ccc2n(Cc3ccccc3)c(c(CC(=O)NN)c2c1)S(C)=O
BDBM50055792 COc1ccc2n(Cc3cccc(OCc4ccccc4)c3)c(C)c(CC(=O)NN)c2c1
BDBM50055793 COc1ccc2n(Cc3ccccc3)c(Cl)c(CC(N)=O)c2c1
BDBM50055794 CNC(=O)Cc1c(C)n(Cc2ccccc2)c2ccc(OC)cc12
BDBM50055795 CCc1c(C(=O)C(N)=O)c2c(OC)cccc2n1Cc1ccccc1
BDBM50055796 COc1cccc2n(Cc3cccc(Cl)c3)c(C)c(CC(=O)NN)c12
BDBM50055797 COc1ccc2n(Cc3ccccc3)c(C)c(Cc3nnn[nH]3)c2c1
BDBM50055798 COc1ccc2n(Cc3ccc(Cl)cc3)c(C)c(CC(=O)NN)c2c1
BDBM50055799 COc1ccc2n(Cc3ccccc3)c(Br)c(CC(N)=O)c2c1
BDBM50055800 COc1ccc2n(Cc3ccccc3)c(SC)c(CC(=O)NN)c2c1
BDBM50055801 Cc1c(CC(N)=O)c2cc(N)ccc2n1Cc1ccccc1
BDBM50055802 COc1ccc2n(C(c3ccccc3)c3ccccc3)c(C)c(CC(=O)NN)c2c1
BDBM50055803 Cc1c(CC(=O)NN)c2ccccc2n1-c1ccccc1
BDBM50055804 COc1ccc2c(C(O)C(N)=O)c(C)n(Cc3ccccc3)c2c1
BDBM50055805 COC(=O)Cc1c(C)n(Cc2ccccc2)c2ccc(OC)cc12
BDBM50055806 Cc1c(CC(=O)NN)c2ccccc2n1Cc1ccccc1
BDBM50066342 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6]-[#6]-[#6](-[#8]-[#6]-1)-[#6]-1=[#6]-[#6](=O)-[#8]-[#6]-1-[#8] |t:15,22|
BDBM50066343 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6]-[#6]-[#6](-[#8]-[#6]-1-[#8])-[#6]-1=[#6]-[#6](=O)-[#8]-[#6]-1-[#8] |t:15,23|
BDBM50073194 CCCCCCCCCCCC(=O)N[C@H](CCCC)COP([O-])(=O)OCC[N+](C)(C)C
BDBM50073195 CCCCCCCCCCCC(=O)N1[C@H](CCC)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC1=O
BDBM50073196 CCCCCCCCCCCC(=O)N1[C@H](CCC)[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)OC1=O
BDBM50073197 CCCCCCCCCCCC(=O)N1[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)COC1=O
BDBM50073198 CCCCCCCCCCCC(=O)N1[C@@H](CCC)[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)OC1=O
BDBM50073199 CCCCCCCCCCCC(=O)N1[C@@H](CCC)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC1=O
BDBM50073964 COP(O)(=O)OC[C@@H](CCCCCCCOC(=O)CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C)NC(C)=O |c:41|
BDBM50073965 CCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC)NC(C)=O
BDBM50073966 CCCCCCCCCCCCCCCC(=O)OCCCCCCC[C@H](COP(O)(=O)OC)NC(C)=O
BDBM50073967 CCCCCCCC(=O)OCCCCCCC[C@H](COP(O)(=O)OC)NC(C)=O
BDBM50073969 CCCCCCCCCCCCCCCCOCCOCCCCCCC[C@H](COP(O)(=O)OC)NC(C)=O
BDBM50073968 COP(O)(=O)OC[C@@H](CCCCCCCO)NC(C)=O
BDBM50085497 CCCCCCCCCCCCCCC(CO)NCC
BDBM50085496 CCCCCCCCCCCCCCC(N)CN(CC)CC
BDBM50104438 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2c(C)cc(cc2C)C(O)=O)c2ccccc12
BDBM50104439 OC(=O)c1ccc(OCC(=O)COc2ccc(SCCCCc3ccccc3)cc2)cc1
BDBM50104440 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(cc2O)C(O)=O)c2ccccc12
BDBM50104441 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2c(Cl)cc(cc2Cl)C(O)=O)c2ccccc12
BDBM50104442 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCCOc2ccc(cc2)C(O)=O)c2ccccc12
BDBM50104443 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCCCOc2ccc(cc2)C(O)=O)c2ccccc12
BDBM50104444 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(cc2C)C(O)=O)c2ccccc12
BDBM50104445 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(cc2F)C(O)=O)c2ccccc12
BDBM50104446 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCN(C)c2ccc(cc2)C(O)=O)c2ccccc12
BDBM50104448 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCNc2ccc(cc2)C(O)=O)c2ccccc12
BDBM50104449 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(cc2[N+]([O-])=O)C(O)=O)c2ccccc12
BDBM50104450 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(cc2OC)C(O)=O)c2ccccc12
BDBM50104451 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(C(O)=O)c(Cl)c2)c2ccccc12
BDBM50104452 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(C(O)=O)c(OC)c2)c2ccccc12
BDBM50104453 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(cc2Cl)C(O)=O)c2ccccc12
BDBM50104454 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2ccc(C(O)=O)c(O)c2)c2ccccc12
BDBM50104455 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCCc2ccc(cc2)C(O)=O)c2ccccc12
BDBM50104456 CCCCCCCCCCCC(=O)c1c(C(O)=O)n(CCOc2c(F)cc(cc2F)C(O)=O)c2ccccc12
BDBM50121969 OC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12
BDBM50129952 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
BDBM50161293 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccccc1
BDBM50161294 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1cccc(F)c1
BDBM50161295 COC(=O)COc1cc2CCCc2c2n(Cc3cccc(F)c3)c(C)c(C(=O)C(N)=O)c12
BDBM50161296 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCCc3c2n1Cc1ccccc1
BDBM50161297 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccc(F)cc1
BDBM50161298 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCCc3c2n1Cc1ccccc1
BDBM50161299 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccccc1
BDBM50161300 COC(=O)COc1cc2CCCc2c2n(Cc3ccccc3F)c(C)c(C(=O)C(N)=O)c12
BDBM50161301 Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3CCCCc3c2n1Cc1ccccc1
BDBM50161302 COC(=O)COc1cc2CCCc2c2n(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12
BDBM50161303 COC(=O)COc1cc2CCCCc2c2n(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12
BDBM50161304 COC(=O)COc1cc2CCCc2c2n(Cc3ccc(F)cc3)c(C)c(C(=O)C(N)=O)c12
BDBM50161305 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1CC1CCCCC1
BDBM50161306 CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cc3CCCc3c2n1Cc1ccccc1
BDBM50161307 CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cc3CCCCc3c2n1Cc1ccccc1
BDBM50161308 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccccc1F
BDBM50161309 COC(=O)COc1cc2ccccc2c2n(CC3CCCCC3)c(C)c(C(=O)C(N)=O)c12
BDBM50183244 O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccccc1
BDBM50183245 O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1
BDBM50183246 O=c1cc(oc2ccccc12)-c1cccc(c1)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1
BDBM50183247 O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1cccc(c1)-c1cc(=O)c2ccccc2o1
BDBM50183248 O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM50183249 O=c1cc(oc2ccc(cc12)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1)-c1ccccc1
BDBM50183250 Oc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(Oc2cc(ccc2O)-c2cc(O)c3c(cc(O)cc3=O)o2)cc1
BDBM50186585 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc(C)cc2n1Cc1ccccc1
BDBM50186586 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc(C)cc2n1Cc1ccccc1
BDBM50206918 CCCCCCCCCCCCCCOC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)COc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206919 CCCCCCCCCCCCCCOC(CO)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206920 CCCCCCCCCCCCCCOC(COc1ccc(cc1)-c1nc(=O)o[nH]1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
BDBM50206921 CCCCCCCCCCCCCCOC(COc1ccc(cc1)-c1nc(=O)o[nH]1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206922 CCCCCCCOCC(COc1ccc(cc1)-c1nc(=O)o[nH]1)OCCCCCCC
BDBM50206923 CCCCCCCCCCCCCCOCC(COc1ccc(cc1)-c1nc(=O)o[nH]1)Oc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206924 CCCCCCCOCC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)OCCCCCCC
BDBM50206904 CCCCCCCCCCCCCCOC(COCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206905 CCCCCCCCCCCCCCO[C@@H](COc1ccc(cc1)-c1nc(=O)o[nH]1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
BDBM50206906 CCCCCCCCCCCCCCOC(COCCCCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206907 O=c1nc([nH]o1)-c1ccc(OCC(COCCCCc2ccccc2)OCCCCc2ccccc2)cc1
BDBM50206908 CCCCCCCCCCCCCCOC(COCc1ccc(cc1)C#N)COc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206909 CCCCCOC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)COc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206910 CCCCCCCCCCCCCCCCCCOC(COCc1ccc(cc1)C#N)COc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206911 CCCCCCCCCCCCCCOC(COCCCCCCCCCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206912 CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206913 CCCCCCCCCCCCCCOC(COC(c1ccccc1)c1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206914 CCCCCCCCCOCC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)OCCCCCCCCC
BDBM50206915 CCCCCCCCCCCCCCOC(COCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206916 CCCCCCCCCCCCCCOCC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)Oc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206917 CCCCCCCCCCCCCCOC(COCc1cccc(OC)c1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50250399 C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O |r,c:4,t:17,25|
BDBM50246062 NCCOc1ccc(Oc2ccccc2)cc1
BDBM50247069 NCCc1c[nH]c2c(OCc3ccccc3)cccc12
BDBM50259951 C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O |r,t:19,26|
BDBM50259952 C[C@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O |r,c:9,t:18,25|
BDBM50262842 CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1
BDBM50262843 CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1
BDBM50263000 CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1
BDBM50263001 CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1
BDBM50263002 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1Cc1ccccc1
BDBM50263003 CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1
BDBM50262804 CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1Cc1ccccc1
BDBM50262844 CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
BDBM50263051 CC(C)Cc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
BDBM50263052 CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(C)=O)c2c1C(=O)C(N)=O
BDBM50263053 CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OC)c2c1C(=O)C(N)=O
BDBM50256011 CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O
BDBM50241625 Oc1ccc(cc1)C1CCc2ccc(O)cc2O1
BDBM50247033 NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O
BDBM50247034 [O-][N+](=O)c1ccc(Cc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
BDBM50269843 COC1=CC(=O)C(=O)C(C[C@@]2(C)CC[C@@]3(C)[C@@H](CCC=C3C)[C@H]2C)C1=O |r,c:19,t:2|
BDBM50269844 C[C@@H]1[C@@H]2CCC=C(C)[C@@]2(C)CC[C@]1(C)Cc1c(O)c(O)cc(N=CCS(O)(=O)=O)c1O |r,w:22.23,t:5|
BDBM50282920 CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)C3CC=C(CO)[C@H](CO)[C@@]3(C)[C@@H](O)CC21 |t:16|
BDBM50282921 CC(=O)O[C@H]1CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)C2CC=C([C@H](C(O)=O)[C@@]12C)C(O)=O |c:24|
BDBM50274336 CCCCCCCCCCCC(=O)c1c(O)c(C2CC(Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O
BDBM50274337 CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
BDBM50274387 CC(=O)c1c(O)c(C)c(O)c(C(C)=O)c1O
BDBM50288286 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C(/C(/C)=C/C(O)=O)\c1cccc(c1)C(O)=O |c:4|
BDBM50274445 CCCCCCCCCCCC(=O)c1c(O)c([C@H]2C[C@@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O |r|
BDBM50274446 CCCCCCCCCCCC(=O)c1c(O)c([C@@H]2C[C@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O |r|
BDBM50274388 Cc1c(O)c(C(=O)Cc2ccccc2)c(O)c(C(=O)Cc2ccccc2)c1O
BDBM50274389 CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(C)=O)c1O
BDBM50274390 CCCCCCCCCCCC(=O)c1cc(C(=O)CCCCCCCCCCC)c(O)cc1O
BDBM50274391 CCCCCCCCCCCCc1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O
BDBM50274441 CCCCCCCCCCCCc1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O
BDBM50274442 CCCCCCCCCCCC(=O)c1cc(C)cc(C(=O)CCCCCCCCCCC)c1O
BDBM50274443 CCCCCCCCCCCC(=O)c1c(O)c([C@@H]2C[C@@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O |r|
BDBM50274444 CCCCCCCCCCCC(=O)c1c(O)c([C@H]2C[C@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O |r|
BDBM50316457 CCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM50316458 CCCCCCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316459 CCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316460 CCCCCCCCCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316461 CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316462 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316463 CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316464 CCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316465 CCCCCCCCCCCCCCCCCCN1CCN(C(C)C1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316466 CCCCCCCCCCCCCCCCCCN1CC(C)N(CC1C)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316467 CCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1=O
BDBM50316468 CCCCCCCCCCCCCCCCCCN1CCN(CC1=O)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316469 CCCCCCCCCCCCCCN1CCN(CC1=O)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316443 CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1
BDBM50316444 CCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1
BDBM50316445 CCCCCCCCCCCCCCCCCC(=O)N1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1
BDBM50316446 CCCCCCCCCCCCCC(=O)N1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1
BDBM50316447 CCCCCCCCCCCCCCCCCCN1CC(=O)N(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1=O
BDBM50316448 CCCCCCCCCCCCCCN1CC(=O)N(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1=O
BDBM50316449 CCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1=O
BDBM50316450 CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316451 CCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316452 CCCCCCCCCCCCCCCCCCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316453 CCCCCCCCCCCCCCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316454 CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316455 CCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316456 CCCCCCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM50333787 CCCCCCCCCCCCCCC(=O)C(=O)NCCCCC(O)=O
BDBM50333788 CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM50333789 CCCCCCCCCCCCCCC(=O)C(=O)N[C@H](CC(C)C)C(O)=O |r|
BDBM50333790 CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM50333791 CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50333792 CCCCCCCCCCCCCCC(=O)C(=O)NCC(O)=O
BDBM50333793 CCCCCCCCCCCCCCC(=O)C(=O)NCCC(O)=O
BDBM50349879 COC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(OC)cc1
BDBM50349880 COC(=O)c1cc(CCc2ccccc2)nc2ccc(Cl)cc12
BDBM50349881 COC(=O)c1c(c(C)nc2ccc(Cl)cc12)-c1ccccc1
BDBM50349882 COC(=O)c1c(Cc2ccccc2)c(C)nc2ccc(Cl)cc12
BDBM50349883 COC(=O)c1cc(Cc2ccccc2OC)nc2ccc(F)cc12
BDBM50349884 COC(=O)c1cc(nc2ccc(F)cc12)-c1ccc(OC)cc1
BDBM50349885 COC(=O)c1c(Cc2ccccc2)c(C)nc2ccc(F)cc12
BDBM50349886 COC(=O)c1cc(CCc2ccccc2)nc2ccc(F)cc12
BDBM50349887 COC(=O)c1c(Cc2ccccc2)c(C)nc2ccc(OC)cc12
BDBM50349888 COC(=O)c1cc(CCc2ccccc2)nc2ccc(OC)cc12
BDBM50349889 CCCCOc1ccc(cc1)-c1cc(C(=O)OC)c2ccccc2n1
BDBM50349890 COC(=O)c1cc(nc2ccc(OC)cc12)-c1ccccc1
BDBM50349891 COC(=O)c1cc(nc2ccc(OC)cc12)-c1ccc(OC)cc1
BDBM50349892 CCCOc1ccc(cc1)-c1cc(C(=O)OC)c2cc(OC)ccc2n1
BDBM50349893 CCCCOc1ccc(cc1)-c1cc(C(=O)OC)c2cc(OC)ccc2n1
BDBM50377908 C[C@@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CCC1=CCC(OC1)C1=CC(=O)OC1O |t:18,25|
BDBM50408004 CCc1c(C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc(Cl)c1
BDBM50408005 Cc1c(CCC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
BDBM50424424 OC(=O)NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12
BDBM50424425 OC(=O)NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12
BDBM50424426 OC(=O)NCCc1c[nH]c2ccc(OCc3ccc(cc3)-c3ccccc3)cc12
BDBM50424427 COC(=O)NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12
BDBM50424428 COC(=O)NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12
BDBM50424429 COC(=O)NCCc1c[nH]c2ccc(OCc3ccc(cc3)-c3ccccc3)cc12
BDBM50424430 [NH3+]CCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4[N+]([O-])=O)cc3)cc12
BDBM50424431 [NH3+]CCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)cc12
BDBM50424432 NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12
BDBM50424433 NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12
BDBM50424434 NCCc1c[nH]c2ccc(OCc3ccc(cc3)-c3ccccc3)cc12
BDBM50424435 NCCc1c[nH]c2ccc(OCc3cccc4ccccc34)cc12
BDBM50424436 NCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12
BDBM50428491 Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(O)=O |r,wU:27.29,42.44,(6.91,-18.61,;5.37,-18.45,;4.35,-19.6,;2.94,-18.97,;1.61,-19.74,;.27,-18.97,;.27,-17.43,;-1.07,-19.74,;-2.4,-18.97,;-3.73,-19.74,;-3.73,-21.28,;-2.38,-22.05,;-1.06,-21.28,;3.1,-17.43,;4.61,-17.11,;5.23,-15.7,;6.73,-15.38,;6.89,-13.85,;5.49,-13.23,;4.46,-14.37,;8.22,-13.08,;8.22,-11.54,;9.56,-13.85,;10.89,-13.07,;12.22,-13.85,;12.22,-15.39,;13.56,-13.07,;14.89,-13.85,;14.89,-15.39,;16.23,-16.15,;16.23,-17.69,;17.57,-18.47,;17.57,-20.01,;16.23,-20.78,;18.9,-20.78,;16.23,-13.07,;16.23,-11.53,;17.57,-13.85,;18.9,-13.07,;20.24,-13.85,;20.24,-15.39,;21.57,-13.07,;22.91,-13.85,;22.91,-15.39,;24.24,-16.15,;25.57,-15.39,;24.24,-17.69,;24.24,-13.07,;25.56,-13.84,;24.24,-11.53,)|
BDBM50428492 Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(O)=O |r,wU:27.29,(52.25,-6.63,;50.72,-6.48,;49.69,-7.62,;48.28,-6.99,;46.95,-7.77,;45.61,-7,;45.61,-5.46,;44.28,-7.77,;42.95,-6.99,;41.61,-7.77,;41.61,-9.31,;42.96,-10.07,;44.29,-9.3,;48.44,-5.46,;49.95,-5.14,;50.57,-3.73,;52.08,-3.41,;52.23,-1.87,;50.83,-1.26,;49.8,-2.4,;53.56,-1.11,;53.56,.43,;54.9,-1.87,;56.24,-1.1,;57.57,-1.87,;57.57,-3.41,;58.9,-1.1,;60.23,-1.87,;60.23,-3.41,;61.57,-4.18,;61.57,-5.72,;62.91,-6.49,;62.91,-8.03,;61.57,-8.81,;64.24,-8.81,;61.57,-1.1,;61.57,.44,;62.91,-1.87,;64.24,-1.1,;65.58,-1.87,;66.91,-1.1,;65.58,-3.41,)|
BDBM50428493 Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:27.29,(25.94,-7.7,;24.4,-7.54,;23.38,-8.69,;21.97,-8.06,;20.64,-8.84,;19.3,-8.06,;19.3,-6.52,;17.97,-8.84,;16.63,-8.06,;15.3,-8.83,;15.3,-10.38,;16.65,-11.14,;17.97,-10.37,;22.13,-6.53,;23.64,-6.21,;24.26,-4.8,;25.76,-4.48,;25.92,-2.94,;24.51,-2.33,;23.49,-3.47,;27.25,-2.18,;27.25,-.64,;28.59,-2.94,;29.92,-2.17,;31.25,-2.94,;31.25,-4.48,;32.59,-2.17,;33.92,-2.94,;33.92,-4.48,;35.26,-5.25,;35.26,-6.79,;36.6,-7.56,;36.6,-9.1,;35.26,-9.87,;37.93,-9.87,;35.26,-2.17,;36.6,-2.94,;35.26,-.63,)|
BDBM50428494 Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(O)=O
BDBM50428495 Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(O)=O |r,wU:27.29,42.44,58.60,wD:50.52,(34.05,-39.55,;32.52,-39.39,;31.5,-40.53,;30.1,-39.91,;28.77,-40.68,;27.44,-39.91,;27.44,-38.38,;26.11,-40.68,;24.79,-39.91,;23.46,-40.68,;23.46,-42.21,;24.8,-42.98,;26.12,-42.21,;30.26,-38.39,;31.75,-38.07,;32.38,-36.66,;33.88,-36.34,;34.03,-34.81,;32.63,-34.2,;31.61,-35.34,;35.36,-34.05,;35.35,-32.51,;36.68,-34.81,;38.02,-34.04,;39.35,-34.81,;39.35,-36.35,;40.69,-34.04,;42.02,-34.81,;42.02,-36.35,;43.36,-37.12,;43.36,-38.66,;44.7,-39.43,;44.7,-40.98,;43.36,-41.75,;46.03,-41.75,;43.36,-34.04,;43.36,-32.5,;44.7,-34.81,;46.03,-34.04,;47.37,-34.81,;47.37,-36.35,;48.7,-34.04,;50.04,-34.81,;50.04,-36.35,;51.37,-37.12,;52.71,-36.35,;51.37,-38.66,;51.37,-34.04,;51.37,-32.5,;52.71,-34.81,;54.04,-34.04,;54.04,-32.5,;55.38,-31.72,;56.71,-32.5,;55.38,-30.18,;55.38,-34.81,;55.38,-36.35,;56.71,-34.04,;58.05,-34.81,;58.05,-36.35,;59.38,-37.12,;60.72,-36.35,;59.38,-38.66,;59.38,-34.04,;60.72,-34.81,;59.38,-32.5,)|
BDBM50428496 CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)c1cc(n[nH]1)-c1sc(NC(=O)c2ccccc2)nc1C)C(O)=O |r|
BDBM50428497 [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-c1ccc2nn-3c(-[#8]-[#6]-c4cc(Cl)ccc-34)c2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
BDBM50045597 CC(C)(C)CN1CCC2(CN(c3c2c(c(F)cc3O)-c2ccc(F)cc2)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1
BDBM50045598 CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(Cl)cc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
BDBM50149981 CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](C(C)C)C(O)=O |r|
BDBM50458618 NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1ccnc(CCC(O)=O)c1
BDBM50458619 C[C@H](CC(O)=O)c1cccc(c1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O |r|
BDBM50366905 NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C1CC1
BDBM50458605 NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)n1
BDBM50458606 CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O
BDBM50458607 NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1ccc(CCC(O)=O)o1
BDBM50458608 CC(Cc1ccnc(c1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O
BDBM50458609 NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cc(CCC(O)=O)ccn1
BDBM50458610 NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cnn(CCC(O)=O)c1
BDBM50458611 NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1ccn(CCC(O)=O)n1
BDBM50458612 CC(Cc1cccc(c1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O
BDBM50458613 COC(Cc1cccc(c1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O
BDBM50458614 C[C@@H](CC(O)=O)c1cccc(c1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O |r|
BDBM50458615 CCC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O
BDBM50458616 CC(C)(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O
BDBM50458617 CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O
BDBM50366784 NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
BDBM50366807 NC(=O)c1cc2ccc(Cl)cc2n1-c1cccc(CCC(O)=O)c1
BDBM50366811 NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
BDBM50366839 NC(=O)c1cc2ccc(OCC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
BDBM50366840 NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C#N
BDBM50366889 CCc1ccc2cc(C(N)=O)n(-c3cccc(CCC(O)=O)c3)c2c1
BDBM50366983 NC(=O)c1cc2ccc(OC(F)F)cc2n1-c1cccc(CCC(O)=O)c1
BDBM50534279 NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CC(O)=O)c1
BDBM50534280 NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCCC(O)=O)c1
BDBM50534281 NC(=O)c1ccc(Cc2ccccc2)cc1
BDBM50534271 NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(OCC(O)=O)c1
BDBM50534272 C[C@H](Cc1cccc(c1)-c1cc(Cc2ccccc2)ccc1C(N)=O)C(O)=O |r|
BDBM50534273 NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(c1)C(O)=O
BDBM50534278 CCC(Cc1cccc(c1)-c1cc(Cc2ccccc2)ccc1C(N)=O)C(O)=O
BDBM50534274 NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(O)=O)c1
BDBM50534275 CC(Cc1cccc(c1)-c1cc(Cc2ccccc2)ccc1C(N)=O)C(O)=O
BDBM50534276 C[C@@H](Cc1cccc(c1)-c1cc(Cc2ccccc2)ccc1C(N)=O)C(O)=O |r|
BDBM50534277 NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CC(C2CC2)C(O)=O)c1
BDBM50591711 O=c1[nH]c2ccccc2nc1N\N=C\c1cccs1
BDBM50591712 COc1cccc(\C=N\Nc2nc3ccccc3[nH]c2=O)c1
BDBM50591713 [O-][N+](=O)c1ccc(-c2ccc3n2c2ccccc2[nH]c3=O)c(c1)[N+]([O-])=O
BDBM50591714 Oc1ccc(-c2ccc3n2c2ccccc2[nH]c3=O)c(O)c1
BDBM50591715 Clc1ccc(cc1Cl)-c1ccc2n1c1ccccc1[nH]c2=O
BDBM50601471 CCC(O)COc1cccn2c(Cc3cccc(Cl)c3)c(CC)c(C(=O)C(N)=O)c12
BDBM50601472 CCc1c(CC(N)=O)c2c(OCC(O)=O)cccn2c1Cc1cccc2ccccc12
BDBM50601469 Cc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
BDBM50601470 Cc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCn3cnnn3)c2c1C(=O)C(N)=O
CHEMBL5279011 O=C1NC(=O)C(=NNc2cccc(c2)-c2nc3ccccc3[nH]2)C(=O)N1 |(8.37,-2.26,;7.04,-1.49,;5.71,-2.26,;4.37,-1.49,;3.04,-2.26,;4.37,.05,;3.04,.82,;1.7,.05,;.37,.82,;.37,2.37,;-.96,3.13,;-2.29,2.36,;-2.29,.82,;-.95,.06,;-3.63,.05,;-3.79,-1.48,;-5.29,-1.8,;-6.06,-3.13,;-7.6,-3.13,;-8.37,-1.81,;-7.61,-.47,;-6.06,-.47,;-5.03,.67,;5.71,.82,;5.71,2.36,;7.04,.05,)|
CHEMBL5278118 COc1ccnc(Nc2n[nH]c(N)c2C#N)c1
CHEMBL5266517 CCOc1cc(C)nc2c(C#N)c(Nc3cc(OC)ccn3)nn12
CHEMBL5267419 CCOc1cc(N)n2nc(Nc3cc(OC)ccn3)c(C#N)c2n1
CHEMBL5274868 COc1ccnc(Nc2nn3c(SC)c(C#N)c(N)nc3c2C#N)c1
CHEMBL5275045 COc1ccnc(Nc2nn3c(SC)c(C#N)c(O)nc3c2C#N)c1
CHEMBL5280862 COc1ccnc(Nc2nn3c(C)cc(C)nc3c2C#N)c1
CHEMBL5275771 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O |r|