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1032 SMILES Strings for 3-hydroxy-3-methylglutaryl-coenzyme A reductase

Compound NameSMILES String
BDBM50455629 [Na+].[H][C@@](O)(CC[C@@]1([H])[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]12[H])C[C@@H](O)CC([O-])=O |r,c:9,t:11|
BDBM50024976 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccccc1-c1ccccc1
BDBM50024971 [#8]-[#6@@H]-1-[#6]-[#6@H](-[#8]-[#6](=O)-[#6]-1)\[#6]=[#6]-1/c2ccccc2-c2ccccc-12
BDBM50014669 Cc1cc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)c(C)c1
BDBM50024974 Cc1cc(C)cc(c1)-c1cc(C)cc(C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50280408 [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](OC(=O)C(C)(C)C)[C@]12C)[C@H](C)CC(O)CC(O)CC([O-])=O
BDBM50280410 [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O)[C@H](C)CC(O)CC(O)CC([O-])=O
BDBM50024972 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1-c1ccc(F)cc1
BDBM50024973 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1-c1ccccc1
BDBM50026112 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(Cl)cc1Cl
BDBM50006410 [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1
BDBM50006407 [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1cnccn1
BDBM50009413 [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)Cc1ccccc1 |c:6,9|
BDBM50006409 [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccc1
BDBM19149 ONC(=O)CCCCCCC(=O)Nc1ccccc1
BDBM18422 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccn1)-c1ccc(F)cc1 |r|
BDBM18423 COCc1cccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
BDBM18424 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
BDBM18425 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
BDBM18426 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1 |r|
BDBM18427 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCC[C@@H](C1)c1ccccc1)-c1ccc(F)cc1 |r|
BDBM18420 CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)c1ccccc1 |r|
BDBM18421 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCCCC1)-c1ccc(F)cc1 |r|
BDBM18372 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
BDBM18374 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccc1)-c1ccc(F)cc1 |r|
BDBM18375 [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)C(C)(C)CC |r,c:6,9|
BDBM18376 COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C |r|
BDBM18377 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(N)=O)-c1ccccn1)-c1ccc(F)cc1 |r|
BDBM18378 CCNC(=O)c1c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n1C(C)C)-c1ccc(F)cc1)-c1ccccn1 |r|
BDBM18379 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C#N)-c1ccccn1)-c1ccc(F)cc1 |r|
BDBM18380 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccc1)-c1ccccn1)-c1ccc(F)cc1 |r|
BDBM18381 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccn1)-c1ccc(F)cc1 |r|
BDBM18382 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(cc1)C([O-])=O)-c1ccc(F)cc1 |r|
BDBM18383 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1cnc(C)cn1)-c1ccc(F)cc1 |r|
BDBM18384 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(OC)cc1)-c1ccc(F)cc1 |r|
BDBM18385 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(N)=O)-c1ccc(F)cc1 |r|
BDBM18386 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)Nc1ccccc1)-c1ccc(F)cc1 |r|
BDBM18387 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(cc1)C(=O)OC)-c1ccc(F)cc1 |r|
BDBM18388 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1)-c1ccc(F)cc1 |r|
BDBM18389 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
BDBM18390 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(F)c1F)-c1ccc(F)cc1 |r|
BDBM18391 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1F)-c1ccc(F)cc1 |r|
BDBM18392 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(C)cc1)-c1ccc(F)cc1 |r|
BDBM18393 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
BDBM18394 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(C)c1)-c1ccc(F)cc1 |r|
BDBM18395 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1C)-c1ccc(F)cc1 |r|
BDBM18396 COc1ccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
BDBM18397 COc1cccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
BDBM18398 COc1ccccc1CNC(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
BDBM18399 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(Cl)cc1)-c1ccc(F)cc1 |r|
BDBM18400 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(Cl)c1)-c1ccc(F)cc1 |r|
BDBM18401 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1Cl)-c1ccc(F)cc1 |r|
BDBM18402 CCOc1cccc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
BDBM18403 COc1cc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)cc(OC)c1 |r|
BDBM18404 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1 |r|
BDBM18405 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(Cl)c1)-c1ccc(F)cc1 |r|
BDBM18406 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(C)c1)-c1ccc(F)cc1 |r|
BDBM18407 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(c1)C(F)(F)F)-c1ccc(F)cc1 |r|
BDBM18408 COc1cccc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
BDBM18409 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(F)c(F)c1)-c1ccc(F)cc1 |r|
BDBM18410 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1F)-c1ccc(F)cc1 |r|
BDBM18411 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1)-c1ccc(F)cc1 |r|
BDBM18412 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)[C@H](C)c1ccccc1)-c1ccc(F)cc1 |r|
BDBM18413 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCCc1ccccc1)-c1ccc(F)cc1 |r|
BDBM18414 CCN(Cc1ccccc1)C(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
BDBM18415 CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)NCC1CCCCC1 |r|
BDBM18416 CCCCNC(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
BDBM18417 CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N(C)CC1CCCCC1 |r|
BDBM18418 CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCCC1c1ccccc1 |r|
BDBM18419 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCc2ccccc2C1)-c1ccc(F)cc1 |r|
BDBM20688 [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|
BDBM20689 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1)-c1ccc(F)cc1 |r|
BDBM20690 COc1ccc(CNC(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
BDBM20691 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(F)cc1)-c1ccc(F)cc1 |r|
BDBM20692 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
BDBM20693 COCc1cccc(CNC(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
BDBM20694 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1cccc(c1)C#N)-c1ccc(F)cc1 |r|
BDBM20695 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(cc1)C(=O)N(C)C)-c1ccc(F)cc1 |r|
BDBM20696 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
BDBM20697 CCN(Cc1ccccc1)C(=O)c1nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C)-c1ccc(F)cc1 |r|
BDBM20698 CC(C)N(Cc1ccccc1)C(=O)c1nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C)-c1ccc(F)cc1 |r|
BDBM20699 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1C)-c1ccc(F)cc1 |r|
BDBM20700 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(C)c1)-c1ccc(F)cc1 |r|
BDBM20701 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(C)cc1)-c1ccc(F)cc1 |r|
BDBM20702 COc1ccc(CN(C)C(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
BDBM20703 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1F)-c1ccc(F)cc1 |r|
BDBM20704 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1 |r|
BDBM20705 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1)-c1ccc(F)cc1 |r|
BDBM20706 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1F)-c1ccc(F)cc1 |r|
BDBM20707 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(F)c1F)-c1ccc(F)cc1 |r|
BDBM20708 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)[C@H](C)c1ccccc1)-c1ccc(F)cc1 |r|
BDBM20709 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)[C@@H](C)c1ccccc1)-c1ccc(F)cc1 |r|
BDBM20710 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCC1c1ccccc1)-c1ccc(F)cc1 |r|
BDBM20711 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCCC1c1ccccc1)-c1ccc(F)cc1 |r|
BDBM20712 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCC(C1)c1ccccc1)-c1ccc(F)cc1 |r|
BDBM20713 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCC[C@@H](C1)c1ccccc1)-c1ccc(F)cc1 |r|
BDBM20182 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O |r,t:9|
BDBM22146 CC(C)c1nc(Nc2nsc(n2)-c2ccccc2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM22147 CC(C)c1nc(Nc2ccon2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM22148 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccon1 |r|
BDBM22149 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccon1)S(C)(=O)=O |r|
BDBM22150 CC(C)c1nc(Nc2ccnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM22151 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccnn1C |r|
BDBM22152 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccnn1C)S(C)(=O)=O |r|
BDBM22153 CC(C)c1nc(Nc2cc(nn2C)C(C)(C)C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM22154 CC(C)c1nc(Nc2ccn(C)n2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM22155 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccn(C)n1 |r|
BDBM22156 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccn(C)n1)S(C)(=O)=O |r|
BDBM22157 CC(C)c1nc(Nc2nnnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM22158 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1nnnn1C |r|
BDBM22159 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1nnnn1C)S(C)(=O)=O |r|
BDBM22160 CC(C)c1nc(Nc2cc(nn2C)C(O)=O)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM22161 CC(C)c1nc(Nc2ncnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM22162 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ncnn1C)S(C)(=O)=O |r|
BDBM22163 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ncnn1C |r|
BDBM22164 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r|
BDBM34168 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|
BDBM50003235 [H][C@](C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:14,t:12|
BDBM86707 O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O |r|
BDBM50026090 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccco1
BDBM50026322 C[C@@]1(O)C[C@H](OC(=O)C1)\C=C\c1ccc(Cl)cc1Cl
BDBM50026169 Cc1cc(ccc1F)-c1cc(Cl)cc(C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026144 Cc1cc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)cc1
BDBM50026163 Cc1cc(ccc1F)-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026141 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1
BDBM50026165 Cc1cc(F)ccc1-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026161 COc1ccc(cc1)-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026156 Cc1cc(ccc1F)-c1cccc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026148 Cc1cc(Cl)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)c(C)c1
BDBM50026155 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(F)cc(F)cc1-c1ccc(F)cc1
BDBM50026150 Cc1cc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)c(CO)c1
BDBM50026146 CCc1cccc(c1)-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026154 COc1cccc(c1)-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026143 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1-c1cccc(F)c1
BDBM50026158 Cc1cccc(c1)-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026159 Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026149 Cc1cc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(c1)-c1cc(C)c(F)c(C)c1
BDBM50026153 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1CCc1ccccc1
BDBM50026167 Cc1cc(C)cc(c1)-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026142 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1-c1ccc(Cl)c(Cl)c1
BDBM50024978 Cc1cc2\C(=C/[C@@H]3C[C@@H](O)CC(=O)O3)c3c(cc(C)cc3C)-c2c(C)c1
BDBM50026164 Cc1cc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(Cl)c(Cl)c1
BDBM50024975 Cc1cc2-c3ccccc3\C(=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2c(C)c1
BDBM50026162 Cc1ccccc1-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026152 Cc1ccc(C)c(-c2ccc(Cl)c(Cl)c2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026145 Cc1cc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(\C=C\c2ccc(Cl)cc2)c1
BDBM50026166 CO[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(C)cc(C)cc1-c1ccc(F)c(C)c1
BDBM50026168 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1-c1ccc(Cl)cc1
BDBM50026138 CSCOc1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026136 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cccnc1
BDBM50026124 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cc[n+]([O-])cc1
BDBM50026126 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cccc(Cl)c1Cl
BDBM50026095 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(OCc2ccccc2)cc1Cl
BDBM50026129 Cc1ccc(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)c1
BDBM50026113 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc[n+]([O-])c1
BDBM50026133 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cccc1Cl
BDBM50026120 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccncc1
BDBM50026137 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc(F)cc1
BDBM50026122 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccccn1
BDBM50026119 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCCC12CC3CC(CC(C3)C1)C2 |TLB:28:27:30:23.22.24,THB:26:27:22:25.30.24|
BDBM50026114 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OC\C=C\c1ccccc1
BDBM50026105 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCCc1ccccc1
BDBM50026092 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCCCc1ccccc1
BDBM50026100 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc(Cl)cc1
BDBM50026107 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1Cl
BDBM50026117 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(OCc2ccc(F)cc2)cc1Cl
BDBM50026102 CCCCCOc1c(Cl)cc(Cl)cc1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026121 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(cc1)-c1ccccc1
BDBM50026110 CCCCCOc1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026123 Cc1cc(OCc2ccccc2)cc(C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026131 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccccc1
BDBM50026134 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1c(F)c(F)c(F)c(F)c1F
BDBM50026104 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cccc2ccccc12
BDBM50026128 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCC=C
BDBM50026116 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(Cl)c(Cl)c1
BDBM50026096 COCCOCOc1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50026106 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccccc1
BDBM50026130 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1Oc1ccccc1
BDBM50026132 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cccs1
BDBM50026135 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc(F)cc1F
BDBM50026101 Cc1ccc(COc2cc(Cl)cc(Cl)c2\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)cc1
BDBM50026093 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc(cc1)C#N
BDBM50026118 CC(CCOc1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)CC(C)(C)C
BDBM50026115 COc1ccc(COc2cc(Cl)cc(Cl)c2\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)cc1
BDBM50026097 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccccc1Cl
BDBM50026109 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCCOc1ccc(Cl)cc1
BDBM50026094 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cccc(F)c1
BDBM50026139 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OC(c1ccccc1)c1ccccc1
BDBM50026098 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccccc1F
BDBM50004774 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|
BDBM50004775 CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C[C@@H]2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13|
BDBM50004776 CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12 |c:13|
BDBM50006408 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12 |c:13,t:11|
BDBM50006412 CC[C@H](C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12 |c:13,t:11|
BDBM50006413 CC(C)c1nn(c(c1CCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1
BDBM50006414 CC(C)c1nn(c(c1CCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccc1
BDBM50007289 OC(COc1c(Cl)cc(Cl)cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CC([O-])=O
BDBM50007290 Cc1cc(Cl)cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007291 OC(COc1c(Cl)cc(Cl)cc1C(F)(F)C1CCCCC1)C[C@@H](O)CC([O-])=O
BDBM50007292 CC(C)CC(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007294 Cc1c(CCC(O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
BDBM50007298 Cc1cc(ccc1F)C(c1ccc(F)c(C)c1)c1cc(Cl)cc(Cl)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007299 CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50007301 Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50007302 OC(COc1c(Cl)cc(Cl)cc1CC1CCCCC1)C[C@@H](O)CC([O-])=O
BDBM50007303 CC(C)c1cc(C(C)C)c(OCC2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)cc1
BDBM50007305 Cc1cc(Cl)cc(CCCOc2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007306 COc1ccc(cc1)C(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007307 OC(COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1)C[C@@H](O)CC([O-])=O
BDBM50007252 OC(COc1c(CCCOc2ccc(F)cc2)cc(Cl)cc1C1CCCC1)C[C@@H](O)CC([O-])=O
BDBM50007253 [#8]-[#6](-[#6]-[#8]-c1c(Cl)cc(Cl)cc1\[#6](F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O
BDBM50007254 Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(nc2ccccc12)-c1ccc(F)cc1
BDBM50007255 CC(C)c1cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)cc1
BDBM50007256 Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50007257 CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007258 Cc1cc(C)c(OCC2C[C@@H](O)CC(=O)O2)c(c1)C(Cl)C1CCCCC1
BDBM50007259 Cc1cccc(CCCOc2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007261 CC(C)c1c(CCC(O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
BDBM50007262 OC(COc1cc(OCc2ccc(F)cc2)c(Cl)cc1Cl)C[C@@H](O)CC([O-])=O
BDBM50007263 OC(COc1c(Cl)cc(Cl)cc1C(CCOc1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CC([O-])=O
BDBM50007264 CC(C)c1cc(cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50007265 Cc1nc2ccccc2c(-c2ccccc2)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007266 Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(c1ccc(F)cc1)c1cccc(c1)C(F)(F)F
BDBM50007267 CC(C)c1c(O)c(C(C)C)c(-c2ccc(F)cc2)c(OCC(O)C[C@@H](O)CC([O-])=O)c1C(C)C
BDBM50007268 CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OC[C@H](O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC([O-])=O
BDBM50007269 Cc1cc(Cl)cc(CCCOc2ccc(Cl)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007270 OC(COc1c(Cl)cc(Cl)cc1-c1ccccc1)C[C@@H](O)CC([O-])=O
BDBM50007271 CC(C)c1c(OCC(O)C[C@@H](O)CC([O-])=O)c(nc2ccccc12)-c1ccc(F)cc1
BDBM50007272 CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007273 Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(CC2CCCCC2)c1
BDBM50007274 CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(c1[O-])-c1ccc(F)cc1
BDBM50007275 CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)C(C)(C)C
BDBM50007276 CC(C)n1c(\C=C\C(O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12
BDBM50007277 CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C
BDBM50007278 Cc1cc(Cl)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(c1ccc(F)c(C)c1)c1ccc(F)c(C)c1
BDBM50007279 Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(C1CCCCC1)c1ccc(F)cc1
BDBM50007280 CC(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007282 Cc1cc(Cl)cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007284 CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
BDBM50007285 CC(C)c1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50007287 OC(COc1c(CCCOc2ccc(F)cc2)cccc1C1CCCC1)C[C@@H](O)CC([O-])=O
BDBM50009429 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@H](C)[C@H]2OP(=O)(c1ccccc1)c1ccccc1)OC(=O)C(C)(C)CC
BDBM50009407 C[C@@H]1C[C@H](OC(=O)CC=C)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:25,28|
BDBM50009408 C[C@@H]1C[C@H](OC(C)=O)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:23,26|
BDBM50009409 C[C@@H]1C[C@H](OCc2ccc(Cl)cc2)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:29,32|
BDBM50009410 C[C@@H]1C[C@H](OCC=C)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:23,26|
BDBM50009411 C[C@@H]1C[C@H](OCc2ccc(F)cc2)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:29,32|
BDBM50009412 CO[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:8,t:6|
BDBM50009414 C[C@@H]1C[C@H](OCc2ccccc2)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:28,31|
BDBM50009415 C[C@@H]1C[C@H](OCC(C)=C)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:24,27|
BDBM50013210 CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
BDBM50013211 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
BDBM50013212 CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1C(C)C)-c1ccc(F)cc1
BDBM50013213 CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1
BDBM50013214 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1
BDBM50013216 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1C(C)C)-c1ccc(F)cc1
BDBM50013217 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1C1CCCCC1)-c1ccc(F)cc1
BDBM50013218 CC(C)n1cc(c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1C)-c1ccc(F)cc1
BDBM50013220 Cc1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1
BDBM50013221 CC(C)n1cc(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C)-c1ccc(F)cc1
BDBM50013222 Cc1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1
BDBM50011210 [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50011016 CCOC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccc(cc1)C#N)-c1ccc(F)cc1
BDBM50011017 CC(C)c1cc(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccncc1
BDBM50011018 CC(C)c1c(Cl)c(Cl)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011019 CC(C)c1cc(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50011020 CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011021 CC(C)c1c(cc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50011022 CCOC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccccc1)-c1ccccc1
BDBM50011023 COC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1C(=O)OC)-c1ccc(F)cc1
BDBM50011024 CCOC(=O)c1c(c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1)-c1ccccc1
BDBM50011025 CC(C)c1cc(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccn1
BDBM50011026 CCOC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1C(=O)OCC)-c1ccc(F)cc1
BDBM50011027 CCOC(=O)c1c(CC)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccccc1)-c1ccccc1
BDBM50011028 CCOC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccccc1)-c1ccc(F)cc1
BDBM50011029 CC(C)c1cc(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1cccnc1
BDBM50011030 CCOC(=O)c1c(C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccccc1)-c1ccccc1
BDBM50011031 CC(C)c1cc(C(=O)C(F)(F)F)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011032 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50011033 CC(C)c1c(C)c(C)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011034 CC(C)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011035 CC(C)c1c(C(=O)OCc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50011036 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:12,t:10|
BDBM50011037 CC(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011038 CC(C)c1c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c2cc(F)ccc2[n+]1[O-]
BDBM50011039 COc1ccc2nc(C(C)C)c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(-c3ccc(F)cc3)c2c1
BDBM50011040 CC(C)c1nc2ccc(F)cc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011041 CC(C)c1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011042 CN(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50011045 Cc1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014345 [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014346 [#6]-c1ccc(cc1)-[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c1nnnn1-[#6])\c1ccc(-[#6])cc1
BDBM50014347 [#6]-[#6](-[#6])-n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014348 [#6]-c1ccc(\[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c2nnnn2-[#6])-c2ccc(-[#6])cc2-[#6])c(-[#6])c1
BDBM50014349 [#6]-c1ccc(\[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c2nnnn2-[#6])-c2ccc(-[#6])cc2F)c(F)c1
BDBM50014350 [#6]-[#8]-c1ccc(cc1)-[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c1nnnn1-[#6])\c1ccc(-[#8]-[#6])cc1
BDBM50014351 [#6]C([#6])([#6])n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014352 [#6]-n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014353 [#6]-[#6](-[#6])-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014354 [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6](=O)-[#8]1)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014355 Cc1cc(C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)c(C)c1
BDBM50014356 [#6]-c1cc(F)ccc1\[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c1nnnn1-[#6])-c1ccc(F)cc1-[#6]
BDBM50014357 [#6]\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014358 Cn1nnnc1\C(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)=C(/c1ccccc1)c1ccc(F)cc1
BDBM50014360 [#8]-[#6@H](-[#6]-[#6@H](-[#8])\[#6]=[#6]\[#6](\C#N)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1)-[#6]-[#6](-[#8-])=O
BDBM50014361 [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccccc1)-c1ccccc1
BDBM50014362 [#6]-[#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014363 O[C@H](C[C@H](O)C=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn[nH]1)CC([O-])=O |w:6.6,wU:1.0,3.3,(13.49,-1.84,;13.5,-3.38,;12.16,-4.16,;10.83,-3.4,;10.83,-1.85,;9.5,-4.16,;8.16,-3.4,;6.83,-4.16,;5.49,-3.41,;5.49,-1.87,;6.82,-1.1,;6.82,.44,;5.48,1.21,;5.47,2.75,;4.14,.43,;4.15,-1.11,;4.15,-4.18,;2.83,-3.42,;1.5,-4.19,;1.5,-5.73,;.16,-6.49,;2.83,-6.5,;4.15,-5.73,;6.84,-5.71,;8.09,-6.63,;7.61,-8.09,;6.08,-8.09,;5.6,-6.63,;14.83,-4.15,;16.17,-3.38,;16.16,-1.83,;17.5,-4.14,)|
BDBM50014364 [#6]-[#6](-[#6])\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014365 [#6]-c1cc(ccc1F)-[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c1nnnn1-[#6])\c1ccc(F)c(-[#6])c1
BDBM50014366 [#6]-[#6]-n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014665 COc1ccc(cc1)-c1ccc(C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014666 CCC(CC)c1ccc(C(CC)CC)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014667 O[C@@H]1C[C@@H](CCn2c(ccc2C(F)(F)F)-c2ccc(F)cc2)OC(=O)C1
BDBM50014668 Cc1ccc(C2CC3CCC2C=C3)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:12,THB:4:5:11.12:9.8|
BDBM50014670 CC(C)c1ccc(-c2ccccc2Cl)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014671 CC(C)c1ccc(-c2cccc(F)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014672 COc1cccc(OC)c1-c1ccc(C(C)C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 |wU:22.24,wD:20.21,(10.35,-13.84,;11.44,-12.75,;11.05,-11.28,;9.58,-10.85,;9.19,-9.34,;10.31,-8.28,;11.79,-8.71,;12.91,-7.65,;11.82,-6.56,;12.14,-10.21,;13.62,-10.63,;14.15,-12.08,;15.69,-12.05,;16.12,-10.57,;17.57,-10.05,;18.74,-11.04,;17.86,-8.54,;14.84,-9.69,;14.84,-8.15,;16.19,-7.38,;16.19,-5.84,;14.87,-5.07,;14.87,-3.53,;13.52,-2.77,;16.19,-2.76,;17.52,-3.53,;18.85,-2.76,;17.52,-5.07,)|
BDBM50014673 Cc1ccc(-c2ccccc2O)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014674 Cc1ccc(-c2cccc(c2)C(F)(F)F)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014675 Cc1ccc(-c2ccc(cc2)-c2ccccc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014676 Cc1ccc(-c2ccccc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014677 Cc1ccc(-c2ccc(Cl)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014678 COc1cccc(c1)-c1ccc(C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014680 CC(C)c1ccc(-c2ccc(F)cc2F)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014681 O[C@@H]1C[C@@H](CCn2c(ccc2-c2ccc(F)cc2)C2CCCCC2)OC(=O)C1
BDBM50014682 Cc1ccc(-c2cccc(O)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014683 Cc1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014684 CC(C)c1ccc(-c2ccccc2F)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014685 Cc1ccc(-c2ccc(F)cc2)n1-c1ccccc1[C@@H]1C[C@@H](O)CC(=O)O1 |wU:21.24,wD:19.21,(9.5,-6.04,;8.29,-5.08,;6.8,-5.5,;5.95,-4.21,;6.91,-2.99,;6.49,-1.52,;5.02,-1.13,;4.6,.34,;5.68,1.44,;5.2,2.92,;7.17,1.06,;7.58,-.43,;8.35,-3.54,;10.57,-3.32,;10.57,-4.84,;11.9,-5.63,;13.23,-4.84,;13.23,-3.32,;11.91,-2.55,;11.91,-1.01,;10.6,-.24,;10.6,1.3,;9.25,2.07,;11.91,2.07,;13.25,1.3,;14.58,2.07,;13.25,-.24,)|
BDBM50014686 CC(C)(C)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014687 CC(C)c1ccc(-c2cc(C)ccc2C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014688 Cc1ccc(C2CC3CC2C=C3)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:11,THB:4:5:10.11:8|
BDBM50014689 Cc1ccc(C(c2ccccc2)c2ccccc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014690 Cc1ccc(-c2cccc3ccccc23)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014691 CC(C)c1ccc(-c2ccc(F)cc2)n1CC(C)[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014692 Cc1ccc(-c2ccc(F)cc2)n1-c1cccc(c1)[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014693 COc1ccccc1-c1ccc(C(C)C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014694 COc1ccccc1-c1ccc(C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014695 O[C@@H]1C[C@@H](CCn2c(ccc2-c2ccc(F)cc2)C2CC2)OC(=O)C1
BDBM50014696 Cc1ccc(-c2ccc3ccccc3c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014697 CCC(CC)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014698 Cc1ccc(C2CC3CCC2CC3)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 |wU:18.21,wD:16.18,THB:4:5:9.8:11.12,(16.76,-9.75,;15.32,-10.27,;14.89,-11.75,;13.34,-11.8,;12.81,-10.33,;11.33,-9.91,;10.62,-8.66,;9.37,-9.26,;8.02,-8.49,;8.71,-10.11,;10.2,-10.51,;9.88,-11.88,;9.21,-10.72,;14.03,-9.4,;14.03,-7.86,;15.38,-7.08,;15.38,-5.54,;14.06,-4.77,;14.06,-3.23,;12.71,-2.45,;15.38,-2.45,;16.72,-3.23,;18.05,-2.45,;16.72,-4.77,)|
BDBM50014699 COc1ccc2ccccc2c1-c1ccc(C(C)C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 |wU:24.27,wD:22.24,(-.28,-9.14,;.82,-8.08,;.45,-6.57,;-1.02,-6.16,;-1.4,-4.67,;-.29,-3.58,;-.66,-2.1,;.43,-1.04,;1.91,-1.46,;2.3,-2.96,;1.19,-4.02,;1.56,-5.51,;3.04,-5.95,;3.58,-7.41,;5.13,-7.37,;5.54,-5.89,;6.99,-5.37,;8.18,-6.37,;7.28,-3.86,;4.26,-5.02,;4.26,-3.47,;5.61,-2.7,;5.61,-1.16,;4.29,-.39,;4.29,1.16,;2.94,1.93,;5.61,1.93,;6.96,1.16,;8.28,1.93,;6.96,-.39,)|
BDBM50014700 CC(C)Oc1ccccc1-c1ccc(C(C)C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014701 Cc1ccc(C2CCCCC2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014702 Cc1ccc(-c2ccc(F)cc2)n1CCC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014703 Cc1ccc(-c2ccc(O)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014704 O[C@@H]1C[C@@H](CCn2c(ccc2-c2ccc(F)cc2)C2CCC2)OC(=O)C1
BDBM50014705 Cc1ccc(-c2ccc(F)cc2)n1-c1ccc(cc1)[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014719 CC(C)c1nn(Cc2ccccc2)c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1
BDBM50014720 CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1cccc2ccccc12
BDBM50014721 CC(C)c1nn(c(c1C(=C)[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccccc1
BDBM50014722 COc1ccc(cc1)-n1nc(C(C)C)c(CC[C@H]2C[C@H](O)CC(=O)O2)c1-c1ccc(F)cc1
BDBM50014723 CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
BDBM50014724 CO[C@H]1C[C@H](CCc2c(nn(c2-c2ccc(F)cc2)-c2ccccc2)C(C)C)OC(=O)C1
BDBM50014725 CC(C)c1nn(c(c1CC[C@@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccccc1
BDBM50014726 CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccccc1
BDBM50014727 CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccc(C)cc1
BDBM50014728 CC(C)c1nn(c(c1CCC1CC(=O)CC(=O)O1)-c1ccc(F)cc1)-c1ccccc1
BDBM50014729 CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50014367 CC(C)n1nnnc1C(C=C=C[C@@H](O)C[C@@H](O)CC([O-])=O)=C(c1ccc(F)cc1)c1ccc(F)cc1 |wU:15.16,12.13,(5.73,-1.64,;5.41,-3.15,;6.57,-4.17,;3.95,-3.63,;3.47,-5.09,;1.94,-5.1,;1.46,-3.63,;2.7,-2.71,;2.69,-1.18,;4.02,-.4,;5.36,-1.16,;6.69,-.4,;8.03,-1.16,;8.03,.38,;9.36,-1.93,;10.69,-1.16,;10.69,.38,;12.03,-1.92,;13.37,-1.14,;13.36,.41,;14.7,-1.9,;1.36,-.41,;1.35,1.13,;.01,1.89,;.01,3.42,;1.34,4.21,;1.34,5.75,;2.68,3.44,;2.68,1.9,;.03,-1.18,;.03,-2.73,;-1.31,-3.51,;-2.64,-2.73,;-3.98,-3.49,;-2.64,-1.2,;-1.31,-.42,)|
BDBM50014957 Cc1ccc2c(C)cc(C)c(CCC3C[C@@H](O)CC(=O)O3)c2c1
BDBM50014816 CCc1nc(cc(-c2ccc(F)cc2)c1CCC1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014841 CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014819 CC(C)c1cc(-c2ccc(F)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)C(C)C
BDBM50014823 CC(C)c1nc(cc(-c2ccc(cc2)C(F)(F)F)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014822 COc1ccc(cc1)-c1cc(nc(C(C)C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014837 CC(C)c1nc(C(C)C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1
BDBM50014831 CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1
BDBM50014838 CC(C)(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014840 CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C(C)(C)C
BDBM50014836 CC(C)c1nc(C)cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
BDBM50014829 CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)cc(C)c1
BDBM50014830 Cc1nc(C)c(CCC2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1
BDBM50014832 CCc1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014839 CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014833 Cc1nc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1
BDBM50014818 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc(cc1-c1ccc(F)cc1)-c1ccccc1)C1CCCCC1
BDBM50014821 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014827 Cc1cc(-c2ccc(Cl)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1
BDBM50014820 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1
BDBM50014834 CC(C)c1nc(cc(-c2ccc(F)cc2)c1CCC1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50014835 CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)ccc1C
BDBM50014826 CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1
BDBM50014828 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1
BDBM50014948 Cc1cc(C)c2ccc(Cl)cc2c1CCC1C[C@@H](O)CC(=O)O1
BDBM50014949 O[C@@H]1CC(CCc2c(Cl)cc(Cl)c3cc(Cl)ccc23)OC(=O)C1
BDBM50014951 O[C@@H]1CC(CCc2ccc(Br)c3ccccc23)OC(=O)C1
BDBM50014953 O[C@@H]1CC(CCc2ccc(Cl)c3cc(Cl)ccc23)OC(=O)C1
BDBM50014954 Cc1cc(Cl)c(CCC2C[C@@H](O)CC(=O)O2)c2cc(Cl)ccc12
BDBM50014955 O[C@@H]1CC(CCc2c(Cl)cc(Cl)c3ccc(Cl)cc23)OC(=O)C1
BDBM50014956 Cc1cc(Cl)c2ccc(Cl)cc2c1CCC1C[C@@H](O)CC(=O)O1
BDBM50014952 O[C@@H]1CC(CCc2cccc3ccccc23)OC(=O)C1
BDBM50011211 [Na+].CC(C)c1nc(C)cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O
BDBM50011208 [Na+].CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(cc(C)[n+]1[O-])-c1ccc(F)cc1
BDBM50011204 [Na+].CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50011207 [Na+].CC(C)c1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O
BDBM50007297 [Na+].O[C@H](C[C@H](O)\C=C\c1c(Cl)cc(Cl)cc1-c1ccc(F)cc1)CC([O-])=O
BDBM50007295 [Na+].CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)C(C)(C)C
BDBM50007281 [Na+].CC(C)c1cc(-c2ccc(F)cc2)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(n1)C(C)C
BDBM50007293 [Na+].CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50007300 [Na+].Cc1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50020287 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(O)=O)C12 |c:13|
BDBM50020288 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC(O)=O)C12 |c:12,t:10|
BDBM50020289 OC(CCc1ccccc1)CC(O)CC(O)=O
BDBM50020290 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC(O)=O)C12 |c:13|
BDBM50020291 O[C@@H](CC(O)=O)CC(=O)CCc1ccccc1
BDBM50020292 CC[C@H](C)C(=O)OCc1ccccc1CCC(=O)C[C@@H](O)CC(O)=O
BDBM50020293 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(O)=O)C12 |c:12,t:10|
BDBM50014958 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cccc2cccc(Br)c12
BDBM50013215 [Na+].Cc1c(\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
BDBM50013219 [Na+].CC(C)c1c(\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)c(cn1C1CCCCC1)-c1ccc(F)cc1
BDBM50226270 CCC(CC)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:16,t:14|
BDBM50014947 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(Br)c2ccccc12
BDBM50014950 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)ccc2ccccc12
BDBM50024977 O[C@@H]1CC(CC2c3ccc(F)cc3-c3cc(Cl)cc(Cl)c23)OC(=O)C1
BDBM50026324 [#8]-[#6@@H]-1-[#6]-[#6@H](-[#8]-[#6](=O)-[#6]-1)\[#6]=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:18|
BDBM50026320 O[C@@H]1C[C@@H](CCc2ccc(Cl)cc2Cl)OC(=O)C1
BDBM50026321 C[C@@]1(O)C[C@@H](CCc2ccc(Cl)cc2Cl)OC(=O)C1
BDBM50026323 O[C@@H]1C[C@@H](CC[C@@H]2CCC[C@@H]3CCCC[C@H]23)OC(=O)C1
BDBM50026325 O[C@@H]1CC(CC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)OC(=O)C1
BDBM50026334 CCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
BDBM50026335 CCCCCCCCCCCCCCCC1(O)CCOC(O)C1
BDBM50026336 CCCCCCCCCCCCCCCC(O)(CC(=O)OCC)CC(=O)OCC
BDBM50026337 CCCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
BDBM50026338 CCCCCCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
BDBM50026339 CCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
BDBM50026340 CCCCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
BDBM50026341 CCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(=O)OCC
BDBM50026342 CCCCCCCCCCCCCCCC1(O)CC(=O)OC(=O)C1
BDBM50026343 CCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
BDBM50026344 CCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
BDBM50026345 CCCCCCCCCCCCCCCC1(O)CCOC(=O)C1
BDBM50026127 O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)OC(=O)C1
BDBM50026319 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cccc2ccc3ccccc3c12
BDBM50006417 [Na+].CC(C)c1nn(-c2nc3ccccc3s2)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50006411 [Na+].O[C@H](C[C@H](O)\C=C\c1c(nn(c1-c1ccc(F)cc1)-c1ccccn1)C(F)(F)F)CC([O-])=O
BDBM50006415 [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc2ccccc2n1
BDBM50026140 O[C@@H]1CC(CCc2ccccc2-c2ccccc2)OC(=O)C1
BDBM50026147 Cc1cc(C)c(CCC2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)c(C)c1
BDBM50026157 O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2-c2ccccc2)OC(=O)C1
BDBM50026160 O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2Cc2ccccc2)OC(=O)C1
BDBM50026099 O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2Oc2ccccc2)OC(=O)C1
BDBM50026103 O[C@@H]1CC(CCc2c(O)cc(Cl)cc2Cl)OC(=O)C1
BDBM50026108 O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2OCc2ccc(cc2)C(F)(F)F)OC(=O)C1
BDBM50026111 O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2OCc2ccccc2F)OC(=O)C1
BDBM50026125 O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)OC(=O)C1
BDBM50037254 CC[C@H](C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]2CCC(CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@]12C
BDBM50037255 CC[C@H](C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]2CCC(CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]12C
BDBM50037256 CC[C@H](C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]2CCC([C@H](C)C[C@H]3C[C@@H](O)CC(=O)O3)[C@@]12C
BDBM50037257 CC[C@H](C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]2CCC([C@H](C)C[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]12C
BDBM50039254 CC(C)(O)CCCCc1cccc(\C=C\[C@@]2(C)CC[C@H](O)CC2)c1 |wU:19.19,15.15,wD:15.14,(17.56,-4.17,;17.56,-2.63,;17.15,-1.15,;18.89,-1.86,;16.21,-1.86,;14.88,-2.63,;13.55,-1.86,;12.21,-2.63,;12.21,-4.17,;13.55,-4.94,;13.55,-6.48,;12.21,-7.25,;10.88,-6.48,;9.55,-7.23,;8.21,-6.46,;6.88,-7.23,;6.88,-5.69,;5.55,-6.45,;4.22,-7.23,;4.22,-8.78,;2.88,-9.55,;5.55,-9.54,;6.88,-8.78,;10.88,-4.94,)|
BDBM50042601 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]12C |c:13,t:11|
BDBM50042602 COc1ccc(cc1)-c1nc(n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1)C(F)(F)F
BDBM50042603 CC(C)c1nc(c(-c2cc(Cl)cc(Cl)c2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042604 Cc1cccc(c1)-c1nc(n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1)C(F)(F)F
BDBM50042605 O[C@H](CCn1c(nc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042606 COc1ccc(cc1)-c1c(nc(n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(F)(F)F)-c1ccc(F)cc1
BDBM50042607 CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1
BDBM50042608 COc1cccc(c1)-c1nc(n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1)C(F)(F)F
BDBM50042609 O[C@H](CCn1c(nc(c1-c1ccccc1)-c1ccc(F)cc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042610 Cc1cc(cc(C)c1F)-c1nc(n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1)C(F)(F)F
BDBM50042611 CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@H](O)CC([O-])=O)[C@@]12C |c:13,t:11|
BDBM50042612 CC(C)c1nc(c(-c2ccc(F)cc2C)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 |wU:21.23,18.20,(11.75,-8.16,;10.61,-7.13,;10.91,-5.62,;9.14,-7.61,;8.67,-9.07,;7.13,-9.07,;6.65,-7.61,;5.2,-7.13,;4.88,-5.62,;3.41,-5.16,;2.27,-6.18,;.8,-5.71,;2.59,-7.7,;4.06,-8.16,;4.39,-9.67,;7.9,-6.7,;7.88,-5.16,;9.23,-4.39,;9.21,-2.85,;7.88,-2.08,;10.56,-2.08,;10.54,-.54,;9.21,.23,;11.89,.23,;11.87,1.76,;13.21,2.54,;10.54,2.53,;6.22,-10.31,;4.69,-10.14,;3.78,-11.38,;4.41,-12.79,;3.5,-14.04,;5.95,-12.94,;6.84,-11.71,)|
BDBM50042613 O[C@H](CCn1c(nc(c1-c1ccc(cc1)C(F)(F)F)-c1ccc(F)cc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042614 CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042615 CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cc(C)c(Cl)c(C)c1
BDBM50042616 CC(C)(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042617 O[C@H](CCn1c(nc(-c2cccs2)c1-c1ccc(F)cc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042618 O[C@H](CCn1c(nc(c1-c1ccc(F)cc1)-c1ccccc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042619 O[C@H](CCn1c(nc(c1-c1ccc(F)cc1)-c1cccnc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042620 CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(c1)S(C)(=O)=O
BDBM50042621 O[C@H](CCn1c(nc(c1-c1cccc(Cl)c1)-c1ccc(F)cc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042622 CNc1cccc(c1)-c1nc(C(C)C)n(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1
BDBM50042623 O[C@H](CCn1c(nc(c1-c1cccs1)-c1ccc(F)cc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042624 CC(C)c1nc(c(-c2cc(C)c(F)c(C)c2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042625 CC(C)c1c(nc(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042626 Cc1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042627 O[C@H](CCn1c(nc(c1-c1cccnc1)-c1ccc(F)cc1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042628 O[C@H](C[C@H](O)\C=C\n1c(nc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(F)(F)F)CC([O-])=O
BDBM50042629 CC(C)c1nc(-c2ccccc2)n(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042630 Cc1cccc(c1)-c1c(nc(n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(F)(F)F)-c1ccc(F)cc1
BDBM50042631 CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccnc1
BDBM50042632 COc1cccc(c1)-c1c(nc(n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(F)(F)F)-c1ccc(F)cc1
BDBM50042633 CCc1cc(cc(CC)c1F)-c1c(nc(C(C)C)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042634 CN(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042635 Cc1ccc(cc1)-c1nc(n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1)C(F)(F)F
BDBM50042636 Cc1cc(C)cc(c1)-c1c(nc(n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(F)(F)F)-c1ccc(F)cc1
BDBM50042637 Cc1ccc(cc1)-c1c(nc(n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(F)(F)F)-c1ccc(F)cc1
BDBM50042638 CC(C)c1nc(c(-c2cc(C)cc(C)c2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042639 CC(C)c1nc(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042640 O[C@H](CCn1c(nc(c1-c1ccc(F)cc1)-c1cccc(Cl)c1)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042641 Cc1cc(C)cc(c1)-c1nc(n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1)C(F)(F)F
BDBM50042642 O[C@H](CCn1c(nc(c1-c1ccc(F)cc1)-c1ccc(cc1)C(F)(F)F)C(F)(F)F)C[C@@H](O)CC([O-])=O
BDBM50042643 CC(C)c1nc(c(-c2cccc(Cl)c2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042644 Cc1cc(cc(C)c1F)-c1c(nc(n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(F)(F)F)-c1ccc(F)cc1
BDBM50042645 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccccc1)-c1ccc(F)cc1)C(C)C
BDBM50042646 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1cccc(Cl)c1)C(C)C
BDBM50042647 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccncc1)C(C)C
BDBM50042649 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1cccc(Br)c1)-c1ccc(F)cc1)C(C)C
BDBM50042650 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccccc1)C(C)C
BDBM50042651 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1cccc(Cl)c1)-c1ccc(F)cc1)C(C)C
BDBM50042652 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccccn1)C(C)C
BDBM50042653 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(C(C)C)c(Br)c(c1-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50042654 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1cccc(Br)c1)C(C)C
BDBM50042655 COC(=O)C[C@H](O)C[C@H](O)CCn1c(cc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(C)C
BDBM50042656 COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(C)C
BDBM50042663 O[C@H](C[C@H](O)\C=C\c1c2CCCC(c2nn1-c1ccc(F)cc1)c1ccccc1)CC([O-])=O
BDBM50042664 O[C@H](C[C@H](O)\C=C\c1c2CCCC(CCCc3ccccc3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042665 O[C@H](C[C@H](O)\C=C\c1c2CCCC(Cc3ccc4ccccc4c3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042666 O[C@H](C[C@H](O)\C=C\c1c2CCCC(CCc3ccccc3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042667 O[C@H](C[C@H](O)\C=C\c1c2CCCC(Cc3ccc(Cl)cc3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042669 CCC1CCCc2c1nn(c2\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042670 COc1ccc(CC2CCCc3c2nn(c3\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c2ccc(F)cc2)cc1
BDBM50042671 O[C@H](C[C@H](O)\C=C\c1c2CCCC(Cc3ccccc3Cl)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042672 COc1cccc(CC2CCCc3c2nn(c3\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c2ccc(F)cc2)c1
BDBM50042673 Cc1ccc(CC2CCCc3c2nn(c3\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c2ccc(F)cc2)cc1
BDBM50042674 O[C@H](C[C@H](O)\C=C\c1c2CCCC(Cc3ccccc3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042675 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H]([O-])CC(=O)O3)C12 |c:13,t:11|
BDBM50042676 O[C@H](C[C@H](O)\C=C\c1c2CCCC(Cc3ccc(F)cc3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042677 O[C@H](C[C@H](O)\C=C\c1c2CCCC(C\C=C\c3ccccc3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042678 O[C@H](C[C@H](O)\C=C\c1c2CCCC(Cc3cccc4ccccc34)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042679 O[C@H](C[C@H](O)\C=C\c1c2CCc3ccccc3-c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042680 O[C@H](C[C@H](O)\C=C\c1c2CCCc3ccccc3-c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042681 CC(C)(C)c1ccc(CC2CCCc3c2nn(c3\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c2ccc(F)cc2)cc1
BDBM50042682 O[C@H](C[C@H](O)\C=C\c1c2CCCC(Cc3ccc(cc3)-c3ccccc3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042683 COc1ccc(CC2CCCc3c2nn(c3\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c2ccc(F)cc2)cc1OC
BDBM50042684 CC(C)c1ccc(CC2CCCc3c2nn(c3\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c2ccc(F)cc2)cc1
BDBM50042686 O[C@H](C[C@H](O)\C=C\c1c2CCCc2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042687 O[C@H](C[C@H](O)\C=C\c1c2CCCCc2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042688 O[C@H](C[C@H](O)\C=C\c1c2CCCCCc2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50042689 CC1CCCc2c1nn(c2\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042690 CCCC1CCCc2c1nn(c2\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042691 CCC(C)C1CCCc2c1nn(c2\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50042692 O[C@H](C[C@H](O)\C=C\c1c2CCCC(C3CCCCC3)c2nn1-c1ccc(F)cc1)CC([O-])=O
BDBM50003240 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:14,t:12|
BDBM50046560 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
BDBM50046561 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)=O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
BDBM50085047 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
BDBM50139181 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12|
BDBM50160767 CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(Br)c1
BDBM50160769 CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50160770 CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50160771 CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccncc1
BDBM50160774 CC(C)c1cc(c(-c2cccc(Cl)c2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50160782 CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@H](O)C[C@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50160784 CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50160786 CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(Cl)c1
BDBM50160787 CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccn1
BDBM50160788 CC(C)c1cc(c(-c2ccccc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50160792 CC(C)c1cc(c(-c2cccc(Br)c2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50160795 CC(C)c1c(Br)c(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50160796 CC(C)c1nc(c(-c2ccc(F)cc2C)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 |wU:21.23,wD:18.20,(3.93,.75,;3.62,-.75,;4.77,-1.78,;2.15,-1.24,;1.69,-2.71,;.15,-2.71,;-.34,-1.26,;-1.8,-.78,;-2.12,.72,;-3.59,1.21,;-4.73,.16,;-6.2,.65,;-4.4,-1.34,;-2.92,-1.82,;-2.61,-3.32,;.89,-.36,;.89,1.18,;2.24,1.95,;2.24,3.49,;3.55,4.27,;.89,4.26,;.89,5.8,;-.44,6.58,;2.24,6.58,;3.55,5.81,;4.88,6.58,;3.55,7.34,;-.75,-3.97,;-2.28,-3.81,;-3.17,-5.06,;-2.54,-6.47,;-3.45,-7.71,;-1.02,-6.61,;-.12,-5.37,)|
BDBM50160720 CC(O)(CC(O)=O)CC(O)=O
BDBM50215705 CNC(=O)c1c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n1C(C)C)-c1ccc(F)cc1)-c1ccccc1
BDBM50215706 COc1cccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)c1
BDBM50215707 COCc1ccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)cc1
BDBM50215708 COc1ccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)cc1
BDBM50215666 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)Nc1ccccc1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50215667 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c2CCCN(Cc3ccccc3)C(=O)c12)-c1ccc(F)cc1
BDBM50215668 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c-2c1C(=O)N(Cc1ccccc-21)c1ccccc1)-c1ccc(F)cc1
BDBM50215669 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1cccc(Cl)c1)c1ccccc21
BDBM50215670 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1cccc(F)c1)c1ccccc21
BDBM50215671 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccccc1)c1ccccc21
BDBM50215672 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1cccc(F)c1)c1ccccc21
BDBM50215673 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)N(C)Cc1ccccc1)-c1ccccc1)-c1ccc(F)cc1
BDBM50215674 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)[nH]c1ccccc21
BDBM50215675 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccccc1F)c1ccccc21
BDBM50215676 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c2CCCN(c3ccccc3)C(=O)c12)-c1ccc(F)cc1
BDBM50215677 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1ccccc1)c1ccccc21
BDBM50215678 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccc(F)cc1)c1ccccc21
BDBM50215679 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1ccc(F)cc1)c1ccccc21
BDBM50215680 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1)-c1ccc(F)cc1
BDBM50215681 CCNC(=O)c1c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n1C(C)C)-c1ccc(F)cc1)-c1ccccc1
BDBM50215682 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NC1CC1)-c1ccccc1)-c1ccc(F)cc1
BDBM50215683 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)C(=O)N(C)C)-c1ccccc1)-c1ccc(F)cc1
BDBM50215684 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccn1)-c1ccccc1)-c1ccc(F)cc1
BDBM50215685 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ncc(C)[nH]1)-c1ccccc1)-c1ccc(F)cc1
BDBM50215686 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccc(cc1)C(O)=O)-c1ccccc1)-c1ccc(F)cc1
BDBM50215687 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(N)=O)-c1ccccc1)-c1ccc(F)cc1
BDBM50215688 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1cccc(c1)C(=O)N(C)C)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50215689 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)C(N)=O)-c1ccccc1)-c1ccc(F)cc1
BDBM50215690 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccc1)-c1ccccc1)-c1ccc(F)cc1
BDBM50215691 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1nc(C)cs1)-c1ccccc1)-c1ccc(F)cc1
BDBM50215692 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccc(cc1)C#N)-c1ccccc1)-c1ccc(F)cc1
BDBM50215693 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)C(O)=O)-c1ccccc1)-c1ccc(F)cc1
BDBM50215694 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1cccc(c1)C(N)=O)-c1ccccc1)-c1ccc(F)cc1
BDBM50215695 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50215696 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1cc(C)n[nH]1)-c1ccccc1)-c1ccc(F)cc1
BDBM50215697 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)N(C)C)-c1ccccc1)-c1ccc(F)cc1
BDBM50215698 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccc(cc1)C(=O)N(C)C)-c1ccccc1)-c1ccc(F)cc1
BDBM50215699 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1cccc(O)c1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50215700 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(O)cc1)-c1ccccc1)-c1ccc(F)cc1
BDBM50215701 COc1cccc(NC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccc(F)cc2)c1
BDBM50215702 CC(C)NC(=O)c1c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n1C(C)C)-c1ccc(F)cc1)-c1ccccc1
BDBM50215704 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1cc(C)n(C)n1)-c1ccccc1)-c1ccc(F)cc1
BDBM50221987 COc1cccc(Sc2cc3ncc(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)c(Sc4cccc(OC)c4)c3cc2Sc2cccc(OC)c2)c1
BDBM50221989 COc1cccc(Sc2cc3ncc(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)c(Sc4cccc(OC)c4)c3cc2F)c1
BDBM50221990 CC(C)c1ccc(Sc2ccc3c(Sc4ccc(cc4)C(C)C)c(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)cnc3c2)cc1
BDBM50221992 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cnc2c(F)c(F)c(F)cc2c1Sc1ccc(F)cc1
BDBM50221993 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1 |r|
BDBM50221994 CC(C)c1ccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)cnc3cc(Cl)c(F)cc23)cc1
BDBM50221995 COc1cccc(Sc2c(F)cc3c(Sc4cccc(OC)c4)c(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)cnc3c2Sc2cccc(OC)c2)c1
BDBM50221996 CC(C)c1ccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)cnc3ccccc23)cc1
BDBM50221998 CC(C)c1ccc(Sc2cc3ncc(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)c(Sc4ccc(cc4)C(C)C)c3cc2F)cc1
BDBM50221999 CC(C)c1ccc(Sc2cc3c(Sc4ccc(cc4)C(C)C)c(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)cnc3c(Sc3ccc(cc3)C(C)C)c2Sc2ccc(cc2)C(C)C)cc1
BDBM50222000 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cnc2cc(Sc3ccccc3)c(F)cc2c1Sc1ccccc1
BDBM50222001 CC(C)c1ccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)cnc3c(F)c(F)c(F)cc23)cc1
BDBM50222002 COc1cccc(Sc2c(F)cc3c(Sc4cccc(OC)c4)c(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)cnc3c2F)c1
BDBM50222003 CC(C)c1ccc(Sc2cc3ncc(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)c(Sc4ccc(cc4)C(C)C)c3cc2Sc2ccc(cc2)C(C)C)cc1
BDBM50222004 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cnc2cc(Sc3ccc(F)cc3)c(F)cc2c1Sc1ccc(F)cc1
BDBM50222005 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cnc2c(Sc3ccc(F)cc3)c(Sc3ccc(F)cc3)c(F)cc2c1Sc1ccc(F)cc1
BDBM50222006 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cnc2ccccc2c1Sc1ccc(F)cc1
BDBM50222007 COc1cccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)cnc3cc(Cl)c(F)cc23)c1
BDBM50222008 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cnc2c(F)c(F)c(F)cc2c1Sc1ccccc1
BDBM50222009 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cnc2cc(Sc3ccccc3)c(Sc3ccccc3)cc2c1Sc1ccccc1
BDBM50226159 CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O
BDBM50226160 NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(O)=O
BDBM50226161 NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O
BDBM50226162 C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)NCC(=O)NCC(O)=O
BDBM50226163 CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(O)=O
BDBM50226164 CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O
BDBM50226165 CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(O)=O
BDBM50226166 CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50226168 CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50226169 CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50226170 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50226171 CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50226173 CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O
BDBM50231019 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N1CCN(C)CC1
BDBM50231020 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N1CCCCC1
BDBM50231021 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)N(C)Cc1ccccc1
BDBM50231022 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1ccc(F)cc1
BDBM50231023 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N(C)Cc1ccccc1
BDBM50231024 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N1CCOCC1
BDBM50231025 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM50231026 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50231027 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)N1CCSCC1
BDBM50231028 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N1CCCC1
BDBM50231029 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1ccc(cc1)C(N)=O
BDBM50231030 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1cccc(c1)C(N)=O
BDBM50240783 COc1cc(OC)c(\C=C\C)cc1OC
BDBM50231031 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1cccc(O)c1
BDBM50231032 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)NCc1ccccc1
BDBM50231033 CNS(=O)(=O)c1c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50231034 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)Nc1ccccc1
BDBM50231035 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1cccc(CC(N)=O)c1
BDBM50231036 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N(C)C
BDBM50231037 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N1CCC1
BDBM50231038 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)N(C)C
BDBM50231039 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1ccccc1
BDBM50280058 Cn1nnnc1C(CCC(O)CC(O)CC([O-])=O)Cc1ccc(F)cc1
BDBM50280059 Cn1nnnc1\C(\C=C\C(O)CC(O)CC([O-])=O)=C/c1ccc(F)cc1
BDBM50280060 OC(CC(O)\C=C\c1c(-c2ccc(F)cc2)c2ccccc2n2nnnc12)CC([O-])=O
BDBM50280061 [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6](-[#8])-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)=[#6]-1/c2ccc(F)cc2-c2cc(F)ccc-12
BDBM50280062 Cn1nnnc1\C(\C=C\C(O)CC(O)CC([O-])=O)=C\c1ccc(F)cc1
BDBM50280347 CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C(C)C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13|
BDBM50280348 CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(=O)OC)[C@@H]12 |c:13|
BDBM50280349 CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\Cc1ccccc1 |c:13|
BDBM50280350 CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\Cc1ccccc1 |c:12|
BDBM50280351 CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C(C)C |c:13|
BDBM50280352 CCC\C(C)=C\[C@@H]1C[C@H](OC(=O)[C@@H](C)CC)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:20|
BDBM50280353 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13|
BDBM50280354 CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C(C)C)[C@H](CCC(=O)C[C@@H](O)CC(=O)OC)[C@@H]12 |c:13|
BDBM50280355 CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:13|
BDBM50280356 CCC(C)(C)C(=O)O[C@H]1C[C@](C)(C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:14|
BDBM50280357 CC\C=C\[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:19|
BDBM50280358 CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=CC[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13|
BDBM50280359 CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C/C |c:12|
BDBM50280360 CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:13|
BDBM50280361 C\C=C/[C@@H]1C[C@H](OC(C)=O)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:14|
BDBM50280362 CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:12|
BDBM50280363 CCCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C/C |c:14|
BDBM50280364 CCC\C(C)=C\[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:21|
BDBM50280409 CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12 |c:13,t:11|
BDBM50280660 [#8]-[#6@H](-[#6]-[#6@H](-[#8])\[#6]=[#6]\[#6](=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1)\n1cnnn1)-[#6]-[#6](-[#8-])=O
BDBM50280661 [#6]-c1nnnn1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50280662 [#8]-[#6@H](-[#6]-[#6@H](-[#8])\[#6]=[#6]\[#6](=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1)\n1nnnc1-c1ccccc1)-[#6]-[#6](-[#8-])=O
BDBM50279858 O[C@H](CCc1c(Cl)cc(Cl)cc1OCc1ccccc1)C[C@@H](O)CC(O)=O
BDBM50279859 OC(=O)CC(=O)CP(O)(O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1
BDBM50292396 CCCCCCCCC#C\C=C/CCCCCC(O)=O
BDBM50292397 CCCCCCCCC#CC#C\C=C/CCCC(O)=O
BDBM50292398 CCCCCCCCC#CC#C\C=C\CCCC(O)=O
BDBM50292399 CCCCC#CC#CCCCCCC(O)=O
BDBM50291237 CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccc1
BDBM50291238 CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1F)-c1ccccc1 |wU:13.14,10.11,(4.68,-9.6,;3.2,-10.08,;2.88,-11.58,;2.06,-9.03,;.55,-9.36,;-.23,-8.03,;.8,-6.88,;2.23,-7.49,;3.56,-6.73,;4.9,-7.49,;6.23,-6.73,;6.23,-5.19,;7.56,-7.49,;8.91,-6.73,;8.91,-5.19,;10.24,-7.49,;11.58,-6.73,;12.92,-7.49,;11.58,-5.19,;.48,-5.36,;-.98,-4.91,;-1.31,-3.4,;-.16,-2.36,;1.31,-2.84,;1.62,-4.33,;3.09,-4.82,;-1.75,-7.87,;-2.66,-9.12,;-4.18,-8.96,;-4.82,-7.54,;-3.91,-6.3,;-2.38,-6.46,)|
BDBM50291239 CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)-c1ccccc1
BDBM50291240 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCCC[C@@H](O)CC([O-])=O)[C@@H]12 |c:13,t:11|
BDBM50291241 COc1ccc(cc1)-c1sc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1
BDBM50291242 CCCCCCCCc1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(sc1-c1ccccc1)C(C)C
BDBM50291243 CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(F)c1)-c1ccccc1
BDBM50291244 CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(c1)C(F)(F)F)-c1ccccc1
BDBM50291245 CC(C)c1sc(CO)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50291246 COc1ccc(cc1)-c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(sc1-c1ccccc1)C(C)C
BDBM50291247 CC(C)c1sc(C2CCCC2)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50291248 COCCOCc1sc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1
BDBM50291249 CC(C)c1sc(c(C2CCCC2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50291250 CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(cc1)-c1ccccc1)-c1ccccc1
BDBM50291251 CC(C)c1sc(C)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50291252 CC(C)c1sc(C(C)C)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
BDBM50291253 CC(C)c1sc(c(-c2cccs2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50291254 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCCC[C@@H](O)CC([O-])=O)[C@@H]12 |c:12,t:10|
BDBM50291255 [#6]-[#6](-[#6])-c1sc(\[#6]=[#6](/[#6])-[#6])c(c1\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)-c1ccc(F)cc1
BDBM50291256 CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc(Cl)cc1
BDBM50291257 CCCCCCCCc1sc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1
BDBM50291258 CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc(C)cc1
BDBM50291259 CC(C)c1sc(c(C2CCCCC2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50291260 [#6]-[#6](-[#6])-c1sc(c(\[#6]=[#6](/[#6])-[#6])c1\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)-c1ccccc1
BDBM50292400 CCCCCCCCC#CC#CCCCCCC(O)=O
BDBM50292401 CCCCCCCCC#CCCCCCCCC(O)=O
BDBM50292402 CCCCCCCCC#C\C=C\CCCCCC(O)=O
BDBM50292403 CCCCCCCCC#CC#CC(O)CCCCC(O)=O
BDBM50292404 CCCCCCCCC#CC#CC1OC1CCCC(O)=O
BDBM50296073 CCC(CC)(c1ccc(F)cc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C(C)C |r|
BDBM50296074 CCC(CC)(c1cccc(F)c1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C(C)C |r|
BDBM50296075 CCC(CC)(c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C(C)C)c1ccccc1F |r|
BDBM50296076 CCC(CC)(c1ccccc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccccc1 |r|
BDBM50296077 CCC(CC)(c1ccccc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccccc1F |r|
BDBM50296078 CCC(CC)(c1ccccc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)-c1cccc(F)c1 |r|
BDBM50296079 CCC(CC)(c1ccccc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)cc1 |r|
BDBM50296080 CCC(CC)(c1ccccc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C(C)C |r|
BDBM50304652 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Sc2ccc(F)cc2)c2ccccc2nc1C1CC1 |r|
BDBM50304653 CC(C)c1ccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(nc3ccccc23)C2CC2)cc1 |r|
BDBM50304654 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Sc2ccc(F)cc2)c2cc(F)ccc2nc1C1CC1 |r|
BDBM50304655 COc1cccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(nc3ccc(F)cc23)C2CC2)c1 |r|
BDBM50304656 COc1ccc2nc(C3CC3)c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(Sc3ccc(F)cc3)c2c1 |r|
BDBM50304657 COc1ccc2nc(C3CC3)c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(Sc3ccc(cc3)C(C)C)c2c1 |r|
BDBM50304658 COc1cccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(nc3cc(F)c(F)cc23)C2CC2)c1 |r|
BDBM50304659 CC(C)c1ccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(nc3cc(F)c(F)cc23)C2CC2)cc1 |r|
BDBM50304660 O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Sc2ccc(F)cc2)c2cc(F)c(Sc3ccc(F)cc3)cc2nc1C1CC1 |r|
BDBM50304661 COc1cccc(Sc2cc3nc(C4CC4)c(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)c(Sc4cccc(OC)c4)c3cc2F)c1 |r|
BDBM50321259 CCC(O)c1cc(OC)c(OC)cc1N
BDBM50321260 CCCCc1cc(OC)c(OC)cc1OC
BDBM50321261 CCCCCc1cc(OC)c(OC)cc1OC
BDBM50321262 COc1cc(CC=C)ccc1OCC(O)=O
BDBM50321263 CCOC(=O)COc1ccc(CC=C)cc1OC
BDBM50321264 COc1cc(CC=C)c(cc1OCC(O)=O)[N+]([O-])=O
BDBM50321265 COc1cc(CC=C)ccc1OCCNC(=O)c1cccc(Cl)c1
BDBM50321266 COc1cc(\C=C\C)ccc1OCCNC(=O)c1ccc(Cl)cc1
BDBM50321100 C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CN)C(=O)NCC(=O)NCC(O)=O |r|
BDBM50321101 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
BDBM50321267 COC(=O)COc1ccccc1C
BDBM50321268 CCc1ccccc1OCC(=O)OC
BDBM50321269 CCc1ccc(OCC(=O)OC)cc1
BDBM50321270 CCOC(=O)COc1cccc(C)c1
BDBM50321271 CCOC(=O)COc1cccc(CC)c1
BDBM50321272 CCc1ccc(OCC(=O)OC)c(c1)[N+]([O-])=O
BDBM50321273 CCCc1cc(OC)c(OCC(=O)OC)cc1N
BDBM50321274 CCCc1cc(OC)c(OCC(=O)OC)cc1O
BDBM50321275 CCCc1cc(OC)c(OCC(O)=O)cc1[N+]([O-])=O
BDBM50321276 CCCc1cc(OC)c(OC)cc1O
BDBM50321102 NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O |r|
BDBM50321103 NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(O)=O |r|
BDBM50321104 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
BDBM50321105 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
BDBM50321106 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
BDBM50321107 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
BDBM50321108 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
BDBM50321109 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
BDBM50321110 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
BDBM50321111 CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50321277 COc1cc(O)c(CC=C)cc1OC
BDBM50321278 COc1cc(N)c(\C=C\C)cc1OC
BDBM50321279 COc1cc(Cl)c(\C=C\C)cc1OC
BDBM50346274 Cc1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(=O)NCc1ccccc1 |r|
BDBM50346275 CCc1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(=O)NCc1ccccc1 |r|
BDBM50346276 CCCc1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(=O)NCc1ccccc1 |r|
BDBM50346277 CC(C)c1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(=O)NCc1ccccc1 |r|
BDBM50346278 O[C@H](CCn1c(nc(C(=O)NCc2ccccc2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
BDBM50346279 Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
BDBM50346280 Cc1cccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)c1 |r|
BDBM50346281 Cc1ccccc1CNC(=O)c1nc(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C1CC1 |r|
BDBM50346282 COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
BDBM50346283 COc1cccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)c1 |r|
BDBM50346284 COc1ccccc1CNC(=O)c1nc(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C1CC1 |r|
BDBM50346285 O[C@H](CCn1c(nc(C(=O)NCc2ccc(F)cc2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
BDBM50346286 O[C@H](CCn1c(nc(C(=O)NCc2cccc(F)c2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
BDBM50346287 O[C@H](CCn1c(nc(C(=O)NCc2ccccc2F)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
BDBM50346288 O[C@H](CCn1c(nc(C(=O)NCc2ccc(F)c(F)c2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
BDBM50346289 O[C@H](CCn1c(nc(C(=O)NCc2ccc(F)cc2F)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
BDBM50346290 Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1F |r|
BDBM50346291 COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1F |r|
BDBM50346292 NC(=O)c1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
BDBM50346293 CN(C)S(=O)(=O)c1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
BDBM50353742 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O |r,c:9,t:18|
BDBM50356919 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |r,c:30,t:15|
BDBM50356920 [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@H]4C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6] |r,c:30,t:15|
BDBM50356923 C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C |r,c:31,t:16|
BDBM50375320 CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50375321 CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O
BDBM50371228 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O |r|
BDBM50371229 O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O
BDBM50406549 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@](C)(CSc1ccccc1)O2)OC(=O)C(C)(C)CC
BDBM50009421 [H][C@@]1(O)CC[C@H](C)[C@H](CC[C@@H]2C[C@H](CC(=O)O2)O[Si](C)(C)C(C)(C)C)C1[C@H](CC(C)=C)OC(=O)C(C)(C)CC
BDBM50009420 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)CC2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12
BDBM50009423 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@H](C)[C@H]2OCCc1ccccc1)OC(=O)C(C)(C)CC
BDBM50009424 [H][C@]1(O)[C@@H](C)C[C@H](OC(=O)C(C)(C)CC)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)CC[C@@]12[H]
BDBM50009427 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@H](C)C2=O)OC(=O)C(C)(C)CC
BDBM50009425 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@H](C)C2=O)OC(=O)C(C)(C)CC
BDBM50009419 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@H](C)[C@H]2O)OC(=O)C(C)(C)CC
BDBM50009417 [H][C@@]1(O)[C@@H](C)C[C@H](OC(=O)C(C)(C)CC)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)CC[C@@]12[H]
BDBM50009418 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](CC(C)(C)O2)OC(=O)C(C)(C)CC
BDBM50406550 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@](C)(CSc1ccccc1)O2)OC(=O)C(C)(C)CC
BDBM50009422 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@H](C)[C@H]2OC(=O)N(Cc1ccccc1)Cc1ccccc1)OC(=O)C(C)(C)CC
BDBM50009426 [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@H](C)[C@H]2OC(=O)NCc1ccccc1)OC(=O)C(C)(C)CC
BDBM50009428 [H][C@@]1(O)CC[C@H](C)[C@H](CC[C@@H]2C[C@@H](O)CC(=O)O2)C1[C@H](C[C@@H](C)CO)OC(=O)C(C)(C)CC
BDBM50368146 CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 |r,c:13,t:11|
BDBM50368147 CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r|
BDBM50391329 CC(C)[C@@H](O)C(=O)NCCC(=O)NCCNCC(O)CC(O)CC(O)=O
BDBM50391330 CC(C)[C@@H](O)C(=O)NCCC(=O)NCCNC(=O)C[C@@H](O)CC(O)=O
BDBM50391331 CC(C)[C@@H](O)C(=O)NCCC(=O)NCCNC(=O)C[C@@](C)(O)CC(O)=O
BDBM50406102 Cc1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50406103 Cc1cc(-c2ccc(F)cc2)c(\C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1
BDBM50406104 Cc1nc(C)c(\C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(Cl)cc1
BDBM50406105 Cc1nc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(Cl)cc1
BDBM50406106 Cc1cc(-c2ccc(F)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1
BDBM50406107 Cc1nc(cc(-c2ccc(F)cc2)c1\C=C/[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50406129 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 |c:13,t:11|
BDBM50401499 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nccnc5C[C@]4(C)[C@H]3CC[C@]12C |r,t:13|
BDBM50401506 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)cnn5-c1ccccc1 |r,t:13|
BDBM50401507 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C |r,t:13|
BDBM50405305 O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2COc2ccccc2)OC(=O)C1
BDBM50405306 O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)OC(=O)C1
BDBM50405307 O[C@@H]1C[C@@H](CCCc2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)OC(=O)C1
BDBM50405308 O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccccc2)OC(=O)C1
BDBM50432558 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O |r|
BDBM50432559 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NO)-c1ccccc1 |r|
BDBM50432560 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)NO)[C@@H]12 |r,c:14,t:12|
BDBM50432561 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)NO)[C@@H]12 |r,c:13,t:11|
BDBM50432562 C[C@@H]1C[C@H](OC(=O)NCCCCCCC(=O)NO)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1 |r,c:40,43|
BDBM50432563 C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1 |r,c:54,57|
BDBM50432564 C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1 |r,c:53,56|
BDBM50421879 Cn1nnnc1C(C=C=C[C@@H](O)C[C@@H](O)CC([O-])=O)=C(c1ccc(F)cc1)c1ccc(F)cc1 |wU:10.11,13.14,(11.55,-2.67,;10.1,-3.15,;9.62,-4.6,;8.1,-4.62,;7.62,-3.15,;8.86,-2.23,;8.83,-.71,;10.16,.07,;11.51,-.69,;12.83,.07,;14.16,-.69,;15.49,.08,;14.17,-2.23,;15.5,-3,;16.83,-2.22,;15.51,-4.54,;16.84,-5.3,;18.17,-4.53,;16.84,-6.84,;7.51,.05,;7.51,1.59,;6.16,2.35,;6.16,3.88,;7.49,4.66,;7.49,6.2,;8.83,3.9,;8.83,2.35,;6.18,-.71,;6.18,-2.26,;4.86,-3.04,;3.53,-2.26,;2.18,-3.02,;3.53,-.73,;4.86,.05,)|
BDBM50009725 CC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O
BDBM50009728 CC(CC(O)=O)CC(=O)c1ccc(Sc2ccccc2)cc1
BDBM50009733 CC(CCc1ccc(Oc2ccccc2)cc1)CC(O)=O
BDBM50009736 CC(CCc1ccc2oc3ccccc3c2c1)CC(O)=O
BDBM50009738 CC(CCc1ccc2c(c1)-c1ccccc1S2(=O)=O)CC(O)=O
BDBM50009739 CC(CCc1ccc2CCc3ccccc3-c2c1)CC(O)=O
BDBM50009726 CC(CC(O)=O)CC(=O)c1ccc(cc1)-c1ccccc1
BDBM50009727 CC(CC(O)=O)CC(=O)c1ccc(Oc2ccccc2)cc1
BDBM50009729 CC(CC(O)=O)CC(=O)c1ccc2oc3ccccc3c2c1
BDBM50009731 CC(CC(O)=O)CC(=O)c1ccc2sc3ccccc3c2c1
BDBM50009732 CC(CC(O)=O)CC(=O)c1ccc2CCc3ccccc3-c2c1
BDBM50009734 CC(CCc1ccc(Sc2ccccc2)cc1)CC(O)=O
BDBM50009735 CC(CCc1ccc(cc1)S(=O)(=O)c1ccccc1)CC(O)=O
BDBM50009737 CC(CCc1ccc2sc3ccccc3c2c1)CC(O)=O
BDBM50030656 CCCC(=O)c1cc(OC)c(OCC(=O)OC)cc1O
BDBM50030477 [#6]-[#6]-[#8]P(=O)([#8]-[#6]-[#6])[#6](=[#6]\c1cc(c(-[#8])c(c1)C([#6])([#6])[#6])C([#6])([#6])[#6])\P(=O)([#8]-[#6]-[#6])[#8]-[#6]-[#6]
BDBM50030652 CCC(=O)c1cc(OC)c(OC)cc1O
BDBM50050900 [Na+].CC(C)n1c(\C=C\[C@@H](O)C(F)(F)[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r|
BDBM174228 COC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OCc1ccccc1 |r|
BDBM175097 C[C@@H]1C[C@H](OC(=O)Nc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1 |c:39,42|
BDBM175098 C[C@@H]1C[C@H](OC(=O)NCc2ccc(cc2)C#C)[C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CC2=C1 |c:40,43|
BDBM155374 COC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OC(=O)c1cccnc1 |r|
BDBM155375 CCCOC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OC(=O)c1cccnc1 |r|
BDBM155376 CC(C)OC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OCc1ccccc1 |r|
BDBM155377 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OC(C)(C)C)O1)OCc1ccccc1)N(C)S(C)(=O)=O |r|
BDBM155378 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OCC=C)O1)OCc1ccccc1)N(C)S(C)(=O)=O |r|
BDBM155379 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OCC(Cl)(Cl)Cl)O1)OCc1ccccc1)N(C)S(C)(=O)=O |r|
BDBM155380 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(Oc2c(F)cc(F)cc2F)O1)N(C)S(C)(=O)=O |r|
BDBM155381 COc1ccc(OC2C[C@H](O)C[C@H](O2)\C=C\c2c(nc(nc2-c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)c(OC)c1 |r|
BDBM155382 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(OCC(Cl)(Cl)Cl)O1)N(C)S(C)(=O)=O |r|
BDBM155383 CCCOC1C[C@H](O)C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C |r|
BDBM155384 COC1C[C@@H](C[C@@H](CCn2c(C(C)C)c(C(=O)Nc3ccccc3)c(c2-c2ccc(F)cc2)-c2ccccc2)O1)OC(=O)c1cccnc1 |r|
BDBM155385 CCCOC1C[C@H](O)C[C@@H](CCn2c(C(C)C)c(C(=O)Nc3ccccc3)c(c2-c2ccc(F)cc2)-c2ccccc2)O1 |r|
BDBM155386 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(OC2CCCCC2)O1)-c1ccccc1 |r|
BDBM155387 CC(C)OC1C[C@@H](C[C@@H](CCn2c(C(C)C)c(C(=O)Nc3ccccc3)c(c2-c2ccc(F)cc2)-c2ccccc2)O1)OCc1ccccc1 |r|
BDBM155388 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(OC(C)(C)C)O1)OCc1ccccc1)-c1ccccc1 |r|
BDBM155389 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(OCC=C)O1)OCc1ccccc1)-c1ccccc1 |r|
BDBM155390 COc1ccc(OC2C[C@H](O)C[C@@H](CCn3c(C(C)C)c(C(=O)Nc4ccccc4)c(c3-c3ccc(F)cc3)-c3ccccc3)O2)c(OC)c1 |r|
BDBM50104747 [H][C@@]1([#6]-[#6@@H](-[#8])[C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8] |r,c:23,t:7|
BDBM50104752 [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
BDBM50104754 [H][C@@]1(CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
BDBM50104761 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6](=O)-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8] |r,c:6|
BDBM50104768 [H][C@@]1(CC[C@@]2(C)C3=C(C(O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(\C)C(O)=O |r,c:6|
BDBM50104745 [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(\C)C(O)=O |r,c:6|
BDBM50104746 [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CC\C=C(\C)C(O)=O |r,c:22,t:6|
BDBM50104748 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:22,t:6|
BDBM50104749 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
BDBM50104750 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]\[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
BDBM50104751 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:6|
BDBM50104753 [H][C@@]1(C[C@H](O)[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CC\C=C(/C)C(O)=O |r,c:23,t:7|
BDBM50104755 [H][C@@]1(CC[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
BDBM50104756 [H][C@@]1(CC[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
BDBM50104757 [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
BDBM50104758 [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
BDBM50104759 [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
BDBM50104760 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6](=O)-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6@@H]-3-[#8])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8] |r,c:6|
BDBM50104762 [H][C@@]1([#6]-[#6@@H](-[#8])[C@@]2([#6])[#6]-3=[#6](-[#6](=O)-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8] |r,c:7|
BDBM50104763 [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(O)=O)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
BDBM50104764 [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(O)=O)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
BDBM50104765 [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(O)=O)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
BDBM50104766 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8] |r,c:6|
BDBM50104767 [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)CO |r,c:6|
BDBM233547 CCC(C)C(=O)OC1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)NO)[C@@H]12 |r,c:13,t:11|
BDBM50193396 CC(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
BDBM50191275 [H][C@]12[C@H](C[C@@H](C)[C@H](O)C1=C[C@@H](O)[C@H](C)[C@@H]2CC[C@@H]1CC=CC(=O)O1)OC(=O)[C@@H](C)CC |r,c:9,21|
BDBM50003239 CCC(C)(C)C(=O)O[C@H]1[C@@H](O)[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:15,t:13|
BDBM50003241 [H][C@](O)(c1ccccc1)[C@]1([H])[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C2[C@H]1OC(=O)C(C)(C)CC |c:16,t:14|
BDBM50003236 CCC(C)(C)C(=O)O[C@H]1[C@H](CO)[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:16,t:14|
BDBM50003237 [H][C@@](C)(O)[C@]1([H])[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C2[C@H]1OC(=O)C(C)(C)CC |c:10,t:8|
BDBM50024634 CCCCCCCCCC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:18,t:16|
BDBM50024637 C[C@@H]1C[C@H](OC(=O)C(C)(C)C)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:26,29|
BDBM50024627 CC(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:12,t:10|
BDBM50024629 CC(C)CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:13,t:11|
BDBM50024630 CC(CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12)C(F)(F)F |c:12,t:10|
BDBM50024628 [H][C@@](C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:14,t:12|
BDBM50024642 C[C@@H]1C[C@H](OC(=O)CC(C)=C)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:26,29|
BDBM50024636 C[C@@H]1C[C@H](OC(=O)C2CC2)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:26,29|
BDBM50024639 [#6]-[#6@@H]-1-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#6]-2-[#6@@H](-[#6]-[#6]-[#6@@H]-3-[#6]-[#6@@H](-[#8])-[#6]-[#6](=O)-[#8]-3)-[#6@@H](-[#6])-[#6]=[#6]-[#6]-2=[#6]-1 |c:26,29|
BDBM50024633 CCCCC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:13,t:11|
BDBM50024631 C[C@@H]1C[C@H](OC(=O)Oc2ccccc2)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:30,33|
BDBM50024626 C[C@@H]1C[C@H](OC(C)=O)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:23,26|
BDBM50024638 C[C@@H]1C[C@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:35,38,THB:12:11:8:15.13.14|
BDBM50024635 C[C@@H]1C[C@H](OC(=O)c2ccc(F)cc2)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:30,33|
BDBM50226271 CCCC(CC)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:17,t:15|
BDBM50226272 CCC(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:15,t:13|
BDBM50011205 [Na+].CC(C)c1ccc(-c2ccc(C)cc2)c(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC([O-])=O
BDBM50011203 [Na+].CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O
BDBM50011206 [H][C@]12[C@H](C[C@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC |c:6,9|
BDBM50011212 [Na+].Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C1CCCCCC1
BDBM50011213 [Na+].CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
BDBM50232004 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]/[#6]-c1cc(-[#8])ccc1-[#8])-[#6](-[#8])=O
BDBM50232006 C\C(CC\C=C(/C)C=O)=C/CCC1=C[C@@H](OC1=O)c1cc(O)ccc1O |r,t:12|
BDBM50232007 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-c1cc(-[#8])ccc1-[#8])-[#6](-[#8])=O
BDBM50232008 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](-[#8])=O
BDBM50232009 COC1(OC(=O)C(CC\C=C(/C)CC\C=C(/C)C=O)=C1)c1cc(O)ccc1O |c:18|
BDBM50232010 C\C1=C\CC\C(=C\Cc2cc(O)ccc2O)C(=O)OC(C)(C)[C@H](O)CC1 |r,t:1|
BDBM50232011 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1cc(-[#8])ccc1-[#8] |r,t:11|
BDBM50232012 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](-[#8])=O
BDBM50254788 [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@H](C)CC |r,c:6,9|
BDBM50452889 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1ccccc1 |r,t:11|
BDBM50452890 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1ccc2ccccc2c1 |r,t:11|
BDBM50452891 [#6]-[#8]-[#6]-[#8]-c1ccccc1-[#6@@H]-1-[#8]-[#6](=O)-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1 |r,c:26|
BDBM50452892 [#6]-[#8]-c1ccc(-[#8]-[#6])c(c1)-[#6@@H]-1-[#8]-[#6](=O)-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1 |r,c:26|
BDBM50452888 [#6]-[#6](-[#6])-c1ccc(cc1)-[#6@@H]-1-[#8]-[#6](=O)-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1 |r,c:25|
BDBM50452893 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1cc(F)ccc1F |r,t:11|
BDBM50452894 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1ccc(cc1)-[#7+](-[#8-])=O |r,t:11|
BDBM50452895 [#6]-[#8]-c1ccc(cc1)-[#6@@H]-1-[#8]-[#6](=O)-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1 |r,c:24|
BDBM50452896 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1ccc(-[#6])cc1 |r,t:11|
BDBM50452897 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1ccccc1-[#7+](-[#8-])=O |r,t:11|
BDBM50452898 [#6]-[#6]-c1ccc(cc1)-[#6@@H]-1-[#8]-[#6](=O)-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1 |r,c:24|
BDBM50452899 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1ccccc1-[#8] |r,t:11|
BDBM50452900 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1cc(F)c(F)c(F)c1 |r,t:11|
BDBM50452901 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1ccc(cc1)C([#6])([#6])[#6] |r,t:11|
BDBM50478554 CCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C |r|
BDBM50530670 [H][C@]12[#6][C@@]3([#6])[#6]-[#6][C@@]4([#8]-[#6@H](-[#6]-[#6@@H]4-[#6])\[#6]=[#6](\[#6])-[#6])[C@]3([H])[#6]\[#6]=[#6](-[#6]=O)/[C@]1([H])[#6](=O)-[#6]=[#6]2-[#6] |r,c:31,t:22|
BDBM50541163 CC(C)OP(=O)(OC(C)C)C(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
BDBM50559939 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
BDBM50559940 CC(C)OP(=O)(OCCC1(CCC#C)N=N1)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C |c:14|
BDBM50559941 [#6]-[#6]-[#8]P(=O)([#8]-[#6]-[#6])[#6](=[#6]/c1cc(cc(c1)C([#6])([#6])[#6])C([#6])([#6])[#6])\P(=O)([#8]-[#6]-[#6])[#8]-[#6]-[#6]
BDBM50559942 CCOP(=O)(OCC)C(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
BDBM50559943 [#6]-[#6](-[#6])-[#8]P(=O)([#8]-[#6](-[#6])-[#6])[#6](=[#6]/c1cc(c(-[#8])c(c1)C([#6])([#6])[#6])C([#6])([#6])[#6])\P(=O)([#8]-[#6](-[#6])-[#6])[#8]-[#6](-[#6])-[#6]
BDBM50559944 CC(C)OP(=O)(OC(C)C)C(Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
BDBM50559945 CC(C)OP(=O)(OC(C)C)C(Cc1cc(I)cc(c1)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
BDBM50559946 CC(C)OP(=O)(OC(C)C)C(Cc1cc(cc(c1)C(C)(C)C)C#C)P(=O)(OC(C)C)OC(C)C
BDBM50559947 CC(C)OP(=O)(OC(C)C)C(Cc1cc(cc(c1)C(C)(C)C)N=[N+]=[N-])P(=O)(OC(C)C)OC(C)C
BDBM50559948 CC(C)OP(=O)(OCC#C)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
BDBM50559949 CC(C)OP(=O)(OCCC#C)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
BDBM50604984 Cl.[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(O)(CC=C)CC=C |r,t:10|
BDBM50604985 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(O)=O |r,t:9|
BDBM50604986 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5nonc5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r,t:9|
BDBM50604987 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5sc(N)nc5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r,t:9|
BDBM50604988 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5sc(C)nc5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r,t:9|
BDBM50604989 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)NC |r,t:9|
BDBM50604990 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)NCC |r,t:9|
BDBM50604996 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)Nc1ncc(s1)[N+]([O-])=O |r,t:9|
BDBM50604997 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)Nc1ncc(C)s1 |r,t:9|
BDBM50604998 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)Nc1nc2ccccc2s1 |r,t:9|
BDBM50604992 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)NC1CCOCC1 |r,t:9|
BDBM50604993 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)NCCN1CCOCC1 |r,t:9|
BDBM50604994 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)N1CCCCC1 |r,t:9|
BDBM50604995 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605004 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5onc(C(=O)OCC)c5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605006 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5nc(N)ncc5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605007 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5oc(C)nc5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605008 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(C)=O)[C@H](C)C(=O)N1CCOCC1 |r,t:9|
BDBM50605009 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(C)=O)[C@H](C)CC(=O)N1CCOCC1 |r,t:9|
BDBM50605010 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(C)=O)[C@H](C)CCCC(=O)N1CCOCC1 |r,t:9|
BDBM50605011 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(C)=O)[C@H](C)CCCCC(=O)N1CCOCC1 |r,t:9|
BDBM50605013 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(=O)C(C)C)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605014 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(=O)C(C)=C)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605015 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(=O)CCC)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605016 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(C)=O)[C@H](C)CCC(O)(CC)CC |r,t:9|
BDBM50605018 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(=O)C(C)C)[C@H](C)CCC(=O)N1CCOCC1 |r,t:10|
BDBM50605019 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O |r,t:10|
BDBM50605020 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(O)(CC)CC |r,t:10|
BDBM50605021 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(O)(CC=C)CC=C |r,t:10|
BDBM50605022 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCCC(C)(C)O |r,t:10|
BDBM50604999 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)Nc1nc2c(C)cccc2s1 |r,t:9|
BDBM50605000 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)Nc1ccc(C)cc1 |r,t:9|
BDBM50605001 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)Nc1ccccc1C |r,t:9|
BDBM50605002 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)NC1CCN(CC1)C(C)=O |r,t:9|
BDBM50605005 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5nnsc5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605012 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(=O)CC)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50605017 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)ncn5C(C)=O)[C@H](C)CCC(=O)N1CCOCC1 |r,t:10|
BDBM50605023 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCCC(O)(CC)CC |r,t:10|
BDBM50604991 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5c(C[C@]4(C)[C@@]3([H])CC[C@]12C)cnn5C(C)=O)[C@H](C)CCC(=O)NCCC |r,t:9|
BDBM50605003 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5[nH]nc(C(=O)OCC)c5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCOCC1 |r,t:9|
BDBM50607225 [H][C@]12C(C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)NCCCCCCCCCCC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r,c:6,9|
BDBM50607226 [H][C@]12C(C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC=O)OC(=O)NCCCCCCCCCCC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r,c:6,9|
CHEMBL5275570 CCCCC(CC)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(n1)C(C)(C)C
CHEMBL5277972 CCC(CC)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(n1)C(C)(C)C
CHEMBL5268887 CCCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(n1)C(C)(C)C
CHEMBL5276325 CCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(n1)C(C)(C)C
CHEMBL5275821 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C(C)(C)C)C(C)C)P(=O)(OC(C)C)OC(C)C
CHEMBL5275694 CC(C)(C)c1cc(CC(P(=O)(OCC2CC2)OCC2CC2)P(=O)(OCC2CC2)OCC2CC2)cc(n1)C(C)(C)C
CHEMBL5267183 CC(C)OP(=O)(OC(C)C)C(Cc1cc(Cc2ccccc2)nc(c1)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
CHEMBL5276525 CC(C)COP(=O)(OCC(C)C)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC(C)C)OCC(C)C
CHEMBL5289887 CCCCOP(=O)(OCCCC)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCCCC)OCCCC
CHEMBL5282835 CCCOP(=O)(OCCC)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCCC)OCCC
CHEMBL5271654 CCOP(=O)(OCC)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
CHEMBL5290557 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(n1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
CHEMBL5288010 CC(C)OP(=O)(OC(C)C)C(Cc1cc(cc(n1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
CHEMBL5266489 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc2ccccc12)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
CHEMBL5266129 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C(C)(C)C)C1CCCCC1)P(=O)(OC(C)C)OC(C)C
CHEMBL5290996 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C12CC3CC(CC(C3)C1)C2)C(C)(C)C)P(=O)(OC(C)C)OC(C)C |TLB:16:18:21.20.25:23,25:20:27:24.26.23,25:24:27:21.20.19,THB:19:18:21.20.25:23,19:20:18.27.26:23|
CHEMBL5282672 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C(C)(C)COCc1ccccc1)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
CHEMBL5269334 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C(C)(C)CO)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
CHEMBL5283544 COCOCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(n1)C(C)(C)C
CHEMBL5267256 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C(C)(C)CF)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
CHEMBL5288099 CCC(CF)(CF)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(n1)C(C)(C)C
CHEMBL5287357 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
CHEMBL5277547 CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
CHEMBL5269782 CCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(n1)C(C)(C)CC
CHEMBL5277572 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C1CCCCC1)C1CCCCC1)P(=O)(OC(C)C)OC(C)C
CHEMBL5280701 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)P(=O)(OC(C)C)OC(C)C |TLB:16:18:21.20.25:23,35:30:37:34.36.33,35:34:37:31.30.29,25:20:27:24.26.23,25:24:27:21.20.19,THB:19:18:21.20.25:23,19:20:18.27.26:23,33:32:29:35.34.36,33:34:37.32.31:29|
CHEMBL5266062 CCC(CF)(CF)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(n1)C(CC)(CF)CF
CHEMBL5284059 CC(C)OP(=O)(OC(C)C)C(Cc1cc(nc(c1)C(C)(C)CF)C(C)(C)CF)P(=O)(OC(C)C)OC(C)C
CHEMBL5278854 CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|