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363 SMILES Strings for Aldose reductase (ALR2)

Compound NameSMILES String
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7461 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
BDBM16415 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23
BDBM16314 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
BDBM16312 Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
BDBM17638 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM26664 Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM86694 ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
BDBM50003616 CCCC(CCC)C(O)=O
BDBM50003655 O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1
BDBM50009777 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
BDBM50010062 COC(=O)N(CC(O)=O)C(=O)c1c(F)ccc2c(c(OC)ccc12)C(F)(F)F
BDBM50012899 CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1|
BDBM50016901 Cc1c(O)c2cccc3cccc(c23)c1=CC(O)=O |w:15.18|
BDBM50016902 CN(CC(O)=O)C(=S)c1cccc2ccccc12
BDBM50022437 COc1ccc2c(CCC22NC(=O)NC2=O)c1
BDBM50022438 OC1=NC(=O)C2(CCCc3ccccc23)O1 |t:1|
BDBM50022439 Oc1ccc2CCC3(NC(=O)NC3=O)c2c1
BDBM50022488 O=C1CC2(CN1)CCCc1ccccc21
BDBM50022489 Cc1cc2c(CCCC22NC(=O)NC2=O)n1C
BDBM50022490 O=C1NC(=O)C2(CCOc3ccc4ccccc4c23)N1
BDBM50022391 Brc1ccc2SCCC3(NC(=O)NC3=O)c2c1
BDBM50022392 COc1cc2CCC3(NC(=O)NC3=O)c2c(OC)c1OC
BDBM50022440 O=C1NC(=O)C2(CCc3cc4OCOc4cc23)N1
BDBM50022441 COc1ccc2SCCC3(NC(=O)NC3=O)c2c1
BDBM50022442 Clc1cccc2c1SCCC21NC(=O)NC1=O
BDBM50022491 CC1CCC2(NC(=O)NC2=O)c2ccccc12
BDBM50022492 Clc1cccc2c1OCCC21NC(=O)NC1=O
BDBM50022493 NC(=O)NC(=O)C1CCc2ccccc12
BDBM50022393 Cc1ccc(C)c2c1OCCC21NC(=O)NC1=O
BDBM50022394 Fc1ccc2CCC3(NC(=O)NC3=O)c2c1
BDBM50022395 COc1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022443 COc1ccc(Cl)cc1C1(C)NC(=O)NC1=O
BDBM50022444 O=C1NC(=O)C2(CCSc3ccccc23)N1
BDBM50022495 O=C1NC(=O)C2(CCCCc3ccccc23)N1
BDBM50022496 Clc1ccc2OCCC3(C(=O)NC(=O)NC3=O)c2c1
BDBM50022497 O=C1NC(=O)C2(CCOc3ccc(CN4CCCCC4)cc23)N1
BDBM50022396 FC(F)(F)c1ccc2c(OCCC22NC(=O)NC2=O)c1
BDBM50022397 Clc1cc(cc2c1OCCC21NC(=O)NC1=O)-c1ccccc1
BDBM50022398 OC1=NC(=O)C2(CCOc3ccc(Cl)cc23)O1 |t:1|
BDBM50022446 COc1ccc(F)c2c1CCCC21NC(=O)NC1=O
BDBM50022447 O=C1NC(=O)C2(CCOc3ccc(Oc4ccccc4)cc23)N1
BDBM50022448 OC(=O)C1CCOc2ccc(F)cc12
BDBM50022498 OC(=O)C1CCOc2c1cc(Cl)c1ccccc21
BDBM50022499 COc1cccc2c3OCCC4(NC(=O)NC4=O)c3ccc12
BDBM50022399 CS(=O)(=O)c1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022400 OC(=O)C1CCOc2ccccc12
BDBM50022401 O=C1NC(=O)C2(CCOc3c(cccc23)-c2ccccc2)N1
BDBM50022449 O=c1cnn(Cc2ccccc2)c(=O)[nH]1
BDBM50022450 O=C1NC(=O)C2(CCCCC2)N1
BDBM50022451 OC(=O)C1CCCc2ccccc12
BDBM50022452 O=C1CC2(CCc3ccccc23)C(=O)N1
BDBM50022500 O=C1NC(=O)C2(CCS(=O)(=O)c3ccccc23)N1
BDBM50022501 O=C1NC(=O)C2(CCCc3ncccc23)N1
BDBM50022402 COc1ccc2c(CCCC22NC(=O)NC2=O)c1
BDBM50022403 O=C1CC2(CCCc3ccccc23)C(=O)N1
BDBM50022404 O=C1NC(=O)C2(CCCC2c2ccccc2)N1
BDBM50022453 Cc1cc(C)c2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022454 O=C1NC(=O)C2(CCCc3ccccc23)N1
BDBM50022455 COc1ccc(Cl)c2OCCC3(NC(=O)NC3=O)c12
BDBM50022405 NC(=O)c1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022406 Clc1ccc2OCCC3(CNC(=O)N3)c2c1
BDBM50022407 Fc1ccc2c(c1)C1(CCS2(=O)=O)NC(=O)NC1=O
BDBM50022456 COc1cccc2c1CCCC21NC(=O)NC1=O
BDBM50022457 O=C1NC(=O)C2(CCc3ccccc23)N1
BDBM50022458 Clc1ccc2SCCC3(NC(=O)NC3=O)c2c1
BDBM50022408 OC(=O)C1CCc2ccccc12
BDBM50022409 S=C1NC(=S)C2(CCCc3ccccc23)N1
BDBM50022410 Cc1cc(Cl)cc2C(CCOc12)C(O)=O
BDBM50022411 OC1=NC(=O)[C@]2(CCOc3ccc(Cl)cc23)O1 |t:1|
BDBM50022459 Fc1ccc2c(c1)C1(CCS2=O)NC(=O)NC1=O
BDBM50022460 OC(=O)C1Cc2ccccc2C1
BDBM50022461 COc1ccc2CCC3(NC(=O)NC3=O)c2c1
BDBM50022412 COc1ccc(Cl)c2c1CCCC21NC(=O)NC1=O
BDBM50022413 OC(=O)C1CCOc2ccc(Cl)cc12
BDBM50022414 O=CNC(=O)NC1CCc2ccccc12
BDBM50022462 COc1cc2CCC3(NC(=O)NC3=O)c2cc1OC
BDBM50022463 O=C1CCC2(CCCc3ccccc23)C(=O)N1
BDBM50022464 Fc1ccc2OCC[C@@]3(NC(=O)NC3=O)c2c1
BDBM50022415 OC1=NC(=O)[C@@]2(CCOc3ccc(Cl)cc23)O1 |t:1|
BDBM50022416 O=C1NC(=O)C2(CCCC3CCCCC23)N1
BDBM50022417 CN1C(=O)N(C)C2(CCCc3ccccc23)C1=O
BDBM50022465 O=C1NCNC11CCCc2ccccc12
BDBM50022466 O=C1NC(=O)C2(CCCc3occc23)N1
BDBM50022468 COc1cc2CCCC3(NC(=O)NC3=O)c2cc1OC
BDBM50022418 OC(=O)CC1(CC(O)=O)CCCC1
BDBM50022420 O=C1NC(=O)C2(Cc3ccccc3C2)N1
BDBM50022469 C1CC2(CCc3ccccc23)CN1
BDBM50022470 Clc1cc(Cl)c2SCCC3(NC(=O)NC3=O)c2c1
BDBM50022471 Cc1cc(C)c2c(OCCC22NC(=O)NC2=O)c1C
BDBM50022472 O=C1NC(=O)C2(CCC(c3ccccc3)c3ccccc23)N1
BDBM50022421 CC(C)(C)c1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022422 CSc1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022423 Clc1ccc2c(SCCC22NC(=O)NC2=O)c1
BDBM50022473 Brc1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022474 O=C1NC(=O)C2(N1)C(CCc1ccccc21)c1ccccc1
BDBM50022424 Clc1cc(Cl)c2c(c1)C1(CCS2(=O)=O)NC(=O)NC1=O
BDBM50022425 O=C1NC(=O)C2(CCOc3ccccc23)N1
BDBM50022426 Fc1ccc2SCC[C@@]3(NC(=O)NC3=O)c2c1
BDBM50022475 CC(C)(C)c1ccc2SCCC3(NC(=O)NC3=O)c2c1
BDBM50022476 CC1CCc2ccccc2C11NC(=O)NC1=O
BDBM50022477 O=C1NCC2(CCc3ccccc23)N1
BDBM50022427 OC(=O)C1CCSc2ccccc12
BDBM50022428 O=C1NC(=O)C2(CCCc3sccc23)N1
BDBM50022429 CN(C)S(=O)(=O)c1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022478 CN1CCC2(NC(=O)NC2=O)c2ccccc12
BDBM50022479 OC(=O)C1CCC2(NC(=O)NC2=O)c2ccccc12
BDBM50022480 Clc1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022430 O=C1NC(=O)C2(CCCc3[nH]ccc23)N1
BDBM50022431 OC1=NC(=O)C2(CCc3ccccc23)O1 |t:1|
BDBM50022432 NC(=O)C1(CCc2ccccc12)NC=O
BDBM50022433 OC(=O)C1CCSc2cc(Cl)c(Cl)cc12
BDBM50022482 Clc1ccc(Cl)c2c1SCCC21NC(=O)NC1=O
BDBM50022483 COc1ccc2CCCC3(NC(=O)NC3=O)c2c1
BDBM50022484 OC(=O)C1CCOc2c(Cl)cc(Cl)cc12
BDBM50022434 O=C1NC(=O)C2(CCOc3c2ccc2ncccc32)N1
BDBM50022435 Fc1ccc2SCCC3(NC(=O)NC3=O)c2c1
BDBM50022436 O=C1NC(=O)C2(CCn3c4c2cccc4ccc3=O)N1
BDBM50022485 O=C1NC(=S)NC11CCCc2ccccc12
BDBM50022486 Cc1ccc2OCCC3(NC(=O)NC3=O)c2c1
BDBM50022487 O=C1NC(=O)C2(CCOc3c2ccc2cccnc32)N1
BDBM50028397 OC1=NC(=O)C2(CCOc3ccccc23)O1 |t:1|
BDBM50028398 OC1=NC(=O)C2(CCOc3c(Cl)cc(Cl)cc23)O1 |t:1|
BDBM50028399 OC1=NC(=O)C2(CCSc3ccc(F)cc23)O1 |t:1|
BDBM50028400 OC1=NC(=O)C2(CCSc3ccc(Cl)cc23)O1 |t:1|
BDBM50028401 OC1=NC(=O)C2(CCOc3ccc(Br)cc23)O1 |t:1|
BDBM50028402 Cc1cc(Cl)cc2c1OCCC21OC(O)=NC1=O |c:16|
BDBM50028403 OC1=NC(=O)C2(CCSc3ccccc23)O1 |t:1|
BDBM50029074 Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1
BDBM50028404 OC1=NC(=O)C2(CCOc3ccc(F)cc23)O1 |t:1|
BDBM50038838 Clc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1Cl
BDBM50038839 Fc1cc(Br)ccc1CN1C(=O)c2ccccc2C2(CC(=O)NC2=O)C1=O
BDBM50038840 Fc1cc(Br)ccc1CN1C(=O)c2ccccc2[C@@]2(CC(=O)NC2=O)C1=O
BDBM50038841 Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)cc2C2(CC(=O)NC2=O)C1=O
BDBM50038842 Fc1ccc2C(=O)N(Cc3nc4ccccc4s3)C(=O)C3(CC(=O)NC3=O)c2c1
BDBM50038843 Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r|
BDBM50038844 Fc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O
BDBM50038845 COc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c2c1F
BDBM50038846 Fc1ccc2C(=O)N(Cc3nc4cc(ccc4s3)C(F)(F)F)C(=O)C3(CC(=O)NC3=O)c2c1
BDBM50038848 Fc1cc(Br)ccc1CN1C(=O)c2cc(Cl)ccc2C2(CC(=O)NC2=O)C1=O
BDBM50038849 Cc1cccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)c1
BDBM50038850 Fc1cc(Br)ccc1CN1C(=O)c2ccccc2[C@]2(CC(=O)NC2=O)C1=O
BDBM50038851 FC(F)(F)c1cccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)c1
BDBM50038852 Brc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50038853 FC(F)(F)c1ccc2sc(CN3C(=O)c4ccccc4C4(CC(=O)NC4=O)C3=O)nc2c1
BDBM50038854 COc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50038855 Fc1cc(Br)ccc1CN1C(=O)c2ccc(cc2C2(CC(=O)NC2=O)C1=O)C(F)(F)F
BDBM50038856 Fc1cccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c12
BDBM50038857 Fc1cccc2c1C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O
BDBM50038858 O=C1CC2(C(=O)N1)C(=O)N(Cc1nc3ccccc3s1)C(=O)c1ccccc21
BDBM50038859 Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@@]3(CC(=O)NC3=O)c2c1
BDBM50038860 COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O
BDBM50038861 FC(F)(F)c1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50038862 Clc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50038863 COc1cc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c2cc1Br
BDBM50049730 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
BDBM50054315 OC(=O)Cn1nc-2c(CCCc3ccccc-23)cc1=O
BDBM50054320 OC(=O)Cn1nc-2c(CCc3ccccc-23)cc1=O
BDBM50054323 OC(=O)CCn1nc-2c(CCc3ccccc-23)cc1=O
BDBM50054330 Cc1ccc2CCC3CC(=O)N(CC(O)=O)N=C3c2c1 |c:16|
BDBM50054317 COc1cc2Cc3cc(=O)n(CC(O)=O)nc3-c2cc1OC
BDBM50054318 COc1cc2CCc3cc(=O)n(CCC(O)=O)nc3-c2cc1OC
BDBM50054319 Cc1cc(C)c2CCc3cc(=O)n(CCC(O)=O)nc3-c2c1
BDBM50054321 Cc1cc(C)c2CCc3cc(=O)n(CC(O)=O)nc3-c2c1
BDBM50054325 COc1cc2CCc3cc(=O)n(CC(O)=O)nc3-c2cc1OC
BDBM50054326 COc1cc2CCc3cc(=O)n(CCCC(O)=O)nc3-c2cc1OC
BDBM50054327 Cc1cc(C)c2CCc3cc(=O)n(CCCC(O)=O)nc3-c2c1
BDBM50054328 OC(=O)CCCn1nc-2c(CCc3ccccc-23)cc1=O
BDBM50054329 OC(=O)Cn1nc-2c(CCc3ccccc-23)c(C(O)=O)c1=O
BDBM50068073 COc1ccc2cc(\C=C3/SC(=S)N(CC(O)=O)C3=O)ccc2c1
BDBM50068074 OC(=O)CN1C(=O)S\C(=C/c2cc3ccccc3cc2Cl)C1=O
BDBM50068075 OC(=O)CN1C(=O)S\C(=C/c2ccc3ccccc3c2Br)C1=O
BDBM50068076 OC(=O)Cn1c([O-])c([CH+]c2ccc3ccccc3c2[N+]([O-])=O)sc1=S
BDBM50068077 COc1c(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc2ccccc12
BDBM50068078 COc1c(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc2ccccc12
BDBM50068079 OC(=O)CN1C(=O)S\C(=C/c2ccc3ccccc3c2)C1=O
BDBM50068080 OC(=O)CN1C(=S)S\C(=C/c2ccc3ccccc3c2)C1=O
BDBM50068081 COc1cc2ccccc2cc1\C=C1/SC(=O)N(CC(O)=O)C1=O
BDBM50068082 OC(=O)CN1C(=O)S\C(=C/c2cc3ccccc3cc2Br)C1=O
BDBM50068083 OC(=O)CN1C(=S)S\C(=C/c2cc3ccccc3cc2Br)C1=O
BDBM50068084 COc1ccc2cc(\C=C3/SC(=O)N(CC(O)=O)C3=O)ccc2c1
BDBM50068085 OC(=O)CN1C(=S)S\C(=C/c2ccc3ccccc3c2Br)C1=O
BDBM50068086 COc1cc2ccccc2cc1\C=C1/SC(=S)N(CC(O)=O)C1=O
BDBM50077319 Oc1ccc(Cc2coc3cc(O)ccc3c2=O)cc1
BDBM50077320 Oc1ccc(Cc2cc(=O)c3ccc(O)cc3o2)cc1
BDBM50077322 Oc1ccc(Cc2cc(=O)c3cc(O)ccc3o2)cc1
BDBM50077323 Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
BDBM50077325 Oc1ccc2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50077321 COc1ccc(Cc2cc(=O)c3ccc(O)cc3o2)cc1
BDBM50077324 Oc1ccc2c(c1)oc(cc2=O)C(c1ccccc1)c1ccccc1
BDBM50077326 OC(=O)Cc1ccc2c(c1)oc(Cc1ccc(O)cc1)cc2=O
BDBM50077327 Cc1oc2cc(O)ccc2c(=O)c1Cc1ccc(O)cc1
BDBM50077328 Oc1ccc2c(c1)oc(Cc1ccc3ccccc3c1)cc2=O
BDBM50077329 [O-]c1cc(oc2cc(=[OH+])c(cc12)[N+]([O-])=O)-c1ccccc1
BDBM50077330 CC(=O)c1c(C)nn(CC(O)=O)c(=O)c1N
BDBM50077331 Cc1onc2c1c(nn(CCCC(O)=O)c2=O)-c1ccccc1
BDBM50077332 CC(=O)c1c(nn(CC(O)=O)c(=O)c1NCCc1ccccc1)-c1ccccc1
BDBM50077333 OC(=O)Cn1nc(cc(NCCc2ccccn2)c1=O)-c1ccccc1
BDBM50077334 CC(=O)c1c(N)c(=O)n(CC(O)=O)nc1-c1ccccc1
BDBM50077335 CC(=O)c1c(NCc2ccc(Cl)cc2)c(=O)n(CC(O)=O)nc1-c1ccccc1
BDBM50077336 CC(=O)c1c(nn(CC(O)=O)c(=O)c1NCc1ccccc1)-c1ccccc1
BDBM50077337 Cc1onc2c1c(nn(CCCCC(O)=O)c2=O)-c1ccccc1
BDBM50077338 Cc1onc2c1c(nn(CC(O)=O)c2=O)-c1ccc(Cl)cc1
BDBM50077339 C[c-]1[o+]nc2c1c(nn(CC(O)=O)c2=O)-c1ccccc1[N+]([O-])=O
BDBM50077340 OC(=O)Cn1nc(cc(NCCc2ccccc2)c1=O)-c1ccccc1
BDBM50077341 Cc1onc2c1c(C)nn(CCCC(O)=O)c2=O
BDBM50077342 Cc1onc2c1c(nn(CCCC(O)=O)c2=O)-c1ccc(Cl)cc1
BDBM50077343 C[c-]1[o+]nc2c1c(nn(CC(O)=O)c2=O)-c1ccc(cc1)[N+]([O-])=O
BDBM50077344 Cc1onc2c1c(nn(CCC(O)=O)c2=O)-c1ccccc1
BDBM50077345 Cc1onc2c1c(nn(CCC(O)=O)c2=O)-c1ccc(Cl)cc1
BDBM50077346 CC(C(O)=O)n1nc(-c2ccccc2)c2c(C)onc2c1=O
BDBM50077347 OC(=O)Cn1nc(cc(NCc2ccccc2)c1=O)-c1ccccc1
BDBM50077348 Cc1c(nc2c(O)n(CC(O)=O)nc(-c3ccccc3)c12)-c1nc2cc(ccc2s1)C(F)(F)F
BDBM50077349 CCC(C(O)=O)n1nc(-c2ccccc2)c2c(C)onc2c1=O
BDBM50077350 C[c-]1[o+]nc2c1c(nn(CC(O)=O)c2=O)-c1cccc(c1)[N+]([O-])=O
BDBM50077351 Cc1onc2c1c(C)nn(CC(O)=O)c2=O
BDBM50077352 CC(=O)c1c(Nc2ccc(Br)cc2)c(=O)n(CC(O)=O)nc1-c1ccccc1
BDBM50077353 Cc1onc2c1c(nn(CC(O)=O)c2=O)-c1ccccc1
BDBM50077354 CC(=O)c1c(N)c(=O)n(CCCC(O)=O)nc1-c1ccccc1
BDBM50077355 CCCC(C(O)=O)n1nc(-c2ccccc2)c2c(C)onc2c1=O
BDBM50077356 Cc1onc2c1c(nn(C\C=C\C(O)=O)c2=O)-c1ccccc1
BDBM50077317 Oc1ccc2c(c1)oc(Cc1ccccc1)cc2=O
BDBM50077318 Oc1cc2oc(cc(=O)c2cc1O)-c1ccccc1
BDBM50077311 Oc1ccc(CCc2cc(=O)c3ccc(O)cc3o2)cc1
BDBM50077312 OC(=O)c1ccc2c(c1)oc(Cc1ccc(O)cc1)cc2=O
BDBM50077313 Oc1ccc2c(c1)occc2=O
BDBM50077314 Oc1ccc2c(c1)oc(Cc1ccc(O)c(O)c1)cc2=O
BDBM50077315 Oc1ccc(CCCc2cc(=O)c3ccc(O)cc3o2)cc1
BDBM50077316 Oc1ccc(Cc2oc3cc(O)ccc3c(=O)c2Cc2ccccc2)cc1
BDBM50099665 NNC(=O)NN1C(=O)c2cc(cc3c(N)c(cc(C1=O)c23)S(O)(=O)=O)S(O)(=O)=O
BDBM50099666 OC(=O)CNc1ccc(NC(=O)Nc2ccc(F)c(c2)[N+]([O-])=O)cc1
BDBM50099667 CC(C)C(=O)CCC(=O)Oc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM50099668 OC(=O)\C=C\C(=O)Nc1ccc(Br)cc1Cl
BDBM50099669 Cc1c(CC(O)=O)c2cc(OC(=O)CCC(=O)OCc3ccccc3)ccc2n1C(=O)c1ccc(Cl)cc1
BDBM50099670 Nc1ccc(cc1)S(=O)(=O)c1ccc(NCC(O)=O)cc1
BDBM50099671 CCCCCCC(=O)Oc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM50099672 CC(OC(=O)CCC(=O)Oc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1)c1ccccc1
BDBM50099673 CC(C)CCCC(=O)Oc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM50099674 Cc1c(CC(O)=O)c2cc(OCCO)ccc2n1C(=O)c1ccc(Cl)cc1
BDBM50099675 CCC(CC)OC(=O)CCC(=O)Oc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM50099676 Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
BDBM50099677 Cc1c(CC(O)=O)c2cc(OCCCO)ccc2n1C(=O)c1ccc(Cl)cc1
BDBM50099678 COc1ccc(Br)c(c1)C(=O)Sc1nnnn1-c1cccc(Cl)c1
BDBM50149743 OC(=O)CN1C(=S)S\C(=C/c2cccc(OCc3ccccc3)c2)C1=O
BDBM50149769 OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
BDBM50202147 SC1=NC(=O)C(S1)=Cc1cccc(Oc2ccccc2)c1 |w:7.8,t:1|
BDBM50213303 OC(=O)COc1cccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)c1
BDBM50213304 COc1cc(\C=C2/SC(=O)NC2=O)ccc1O
BDBM50213305 OC(=O)COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1
BDBM50213306 COc1cc(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc1O
BDBM50213307 COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(O)=O
BDBM50213308 COc1cc(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc1OCC(O)=O
BDBM50241157 COc1ccc(C=C2SC(S)=NC2=O)cc1 |w:6.5,c:10|
BDBM50241489 COc1cccc(C=C2SC(S)=NC2=O)c1 |w:7.6,c:11|
BDBM50247599 Oc1ccc(C=C2SC(S)=NC2=O)cc1 |w:5.4,c:9|
BDBM50271390 ONC(=O)CN1C(=O)S\C(=C/c2cccc(Oc3ccccc3)c2)C1=O
BDBM50271391 ONC(=O)CN1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O
BDBM50271392 ONC(=O)CN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
BDBM50271393 ONC(=O)CN1C(=O)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
BDBM50270638 ONC(=O)CN1C(=O)S\C(=C/c2cccc3ccccc23)C1=O
BDBM50289741 OC(=O)Cn1nc-2c(CCc3ccccc-23)c(Cc2nc3cc(ccc3s2)C(F)(F)F)c1=O
BDBM50270639 ONC(=O)CN1C(=O)S\C(=C/c2ccc(O)cc2)C1=O
BDBM50271345 NC(=O)CN1C(=O)S\C(=C/c2ccc(O)cc2)C1=O
BDBM50274894 SC1=NC(=O)C(S1)=Cc1cccc2ccccc12 |w:7.8,t:1|
BDBM50320777 FC(F)(F)C(=O)CN1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O
BDBM50320778 FC(F)(F)C(=O)CN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
BDBM50320779 COc1cccc(\C=C2/SC(=O)N(CC(=O)C(F)(F)F)C2=O)c1
BDBM50320780 COc1ccc(\C=C2/SC(=O)N(CC(=O)C(F)(F)F)C2=O)cc1
BDBM50320781 Oc1cccc(\C=C2/SC(=O)N(CC(=O)C(F)(F)F)C2=O)c1
BDBM50320782 Oc1ccc(\C=C2/SC(=O)N(CC(=O)C(F)(F)F)C2=O)cc1
BDBM50320783 OC(O)(CN1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O)C(F)(F)F
BDBM50320784 OC(O)(CN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)C(F)(F)F
BDBM50320785 COc1cccc(\C=C2/SC(=O)N(CC(O)(O)C(F)(F)F)C2=O)c1
BDBM50320786 COc1ccc(\C=C2/SC(=O)N(CC(O)(O)C(F)(F)F)C2=O)cc1
BDBM50320787 Oc1cccc(\C=C2/SC(=O)N(CC(O)(O)C(F)(F)F)C2=O)c1
BDBM50320788 Oc1ccc(\C=C2/SC(=O)N(CC(O)(O)C(F)(F)F)C2=O)cc1
BDBM50318052 Oc1cc(OCOC(=O)CCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50318053 Oc1cc(OCOC(=O)CCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50318054 Oc1cc(OCOC(=O)CCCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50318055 Oc1cc(OCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50318056 Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50318057 Oc1cc(OCCCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50318058 CC(=O)Oc1cc(OCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50318059 CC(=O)Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50318060 CC(=O)Oc1cc(OCCCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50334175 OC(=O)CN1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O
BDBM50334180 OC(=O)CN1C(=S)S\C(=C/c2cccc(Oc3ccccc3)c2)C1=O
BDBM50334181 OC(=O)CN1C(=S)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O
BDBM50334184 SC1=NC(=O)C(S1)=Cc1ccc(Oc2ccccc2)cc1 |w:7.8,t:1|
BDBM50334185 O=C1NC(=S)SC1=Cc1cccc(OCc2ccccc2)c1 |w:7.8|
BDBM50334182 COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1
BDBM50346848 Cc1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc1
BDBM50346849 COc1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc1
BDBM50346850 OC(=O)CN1C(=O)S\C(=C/c2ccc(\C=C\c3ccc(cc3)C(F)(F)F)cc2)C1=O
BDBM50346847 OC(=O)CN1C(=O)S\C(=C/c2ccc(\C=C\c3ccccc3)cc2)C1=O
BDBM50346852 Cc1ccc(\C=C\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1
BDBM50346853 COc1ccc(\C=C\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1
BDBM50346854 OC(=O)CN1C(=O)S\C(=C/C=C/c2ccc(cc2)C(F)(F)F)C1=O
BDBM50346855 OC(=O)CN1\C(S\C(=C\c2ccc(OCc3ccccc3)cc2)C1=O)=N\c1ccccc1
BDBM50346856 OC(=O)CN1\C(S\C(=C\c2ccc3ccccc3c2)C1=O)=N\c1ccccc1
BDBM50346857 OC(=O)CN1\C(S\C(=C\c2ccc(Oc3ccccc3)cc2)C1=O)=N\c1ccccc1
BDBM50346851 OC(=O)CN1C(=O)S\C(=C/C=C/c2ccccc2)C1=O
BDBM50437452 Oc1cc(OCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc2OCCOc2c1
BDBM50437453 CCCCCCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc2OCCOc2c1
BDBM50437454 CCCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50437455 CCCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc2OCCOc2c1
BDBM50437456 [O-]c1cc(oc2cc(OCC(=O)OCCCCCCO[N+]([O-])=O)cc(=[OH+])c12)-c1ccc2OCCOc2c1
BDBM50437457 CCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc2OCCOc2c1
BDBM50437458 CCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc2OCCOc2c1
BDBM50437459 CCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50437460 CCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50437461 CCCCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc2OCCOc2c1
BDBM50437462 CCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc2OCCOc2c1
BDBM50437463 Oc1ccc(cc1O)-c1cc([O-])c2c(cc(OCCCCCCO[N+]([O-])=O)cc2=[OH+])o1
BDBM50437464 [O-]c1cc(oc2cc(OCC(=O)OCCCCO[N+]([O-])=O)cc(=[OH+])c12)-c1ccc2OCCOc2c1
BDBM50437465 Oc1ccc(cc1O)-c1cc([O-])c2c(cc(OCCCCO[N+]([O-])=O)cc2=[OH+])o1
BDBM50437466 Oc1cc(OCC(=O)OCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc2OCCOc2c1
BDBM50437467 Oc1cc(OCCCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc2OCCOc2c1
BDBM50437468 Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(OCCO[N+]([O-])=O)cc2o1
BDBM50437469 Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc2OCCOc2c1
BDBM50010331 [H][C@@]12C=CN(C=C1C(=O)NC(O)C2CC)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:2,5|
BDBM50010332 [H][C@@]12C=CN(C=C1C(=O)NC(O)C2CCCCCCCC)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:2,5|
BDBM50010334 [H][C@@]12C=CN(C=C1C(=O)NC(O)C2c1ccccc1)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:2,5|
BDBM50016239 COc1ccc(\C=C2/SC(=S)NC2=O)cc1OCC(N)=O
BDBM50016241 COc1cc(\C=C2/SC(=O)NC2=O)ccc1OCC(N)=O
BDBM50016243 NC(=O)COc1cccc(\C=C2/SC(=O)NC2=O)c1
BDBM50016238 COc1cc(\C=C2/SC(=S)NC2=O)ccc1OCC(N)=O
BDBM50016240 NC(=O)COc1cccc(\C=C2/SC(=S)NC2=O)c1
BDBM50016242 COc1ccc(\C=C2/SC(=O)NC2=O)cc1OCC(N)=O
BDBM50010333 [H][C@@]12C=CN(C=C1C(=O)NC(O)C2Cc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:2,5|
BDBM50016230 COc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCC(N)=O
BDBM50016234 COc1cc(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc1OCC(N)=O
BDBM50016236 NC(=O)COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1
BDBM50016237 NC(=O)COc1cccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)c1
BDBM50016231 COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCC(N)=O
BDBM50016232 NC(=O)COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1
BDBM50016233 NC(=O)COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1
BDBM50016235 COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(N)=O
BDBM50084405 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
BDBM50084406 COc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
BDBM50084408 Clc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
BDBM50084409 Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
BDBM50084411 COc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
BDBM50084412 O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3ccccc3c1)c1ccccc1-c1ccccc21
BDBM50084413 O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3C(=O)c4ccccc4C(=O)c3c1)c1ccccc1-c1ccccc21
BDBM50084414 Clc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
BDBM50084415 Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
BDBM50084416 O=C1NC2(C(=O)N1S(=O)(=O)c1ccc3C(=O)c4ccccc4C(=O)c3c1)c1ccccc1-c1ccccc21
BDBM50084404 Cc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
BDBM50084407 Cc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
BDBM50084410 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
BDBM193848 C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccccc1
BDBM193850 C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccccc1Br
BDBM193851 C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1cccc(Br)c1
BDBM193852 C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Br)cc1
BDBM193858 COc1cc(ccc1O)C(\C)=N\Nc1nc(cs1)-c1cc2ccccc2oc1=O
BDBM193864 CCCCNCn1nc(oc1=S)-c1cc2ccccc2oc1=O
BDBM193866 Clc1ccccc1NCn1nc(oc1=S)-c1cc2ccccc2oc1=O
BDBM193868 Clc1ccc(NCn2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1
BDBM193869 O=c1oc2ccccc2cc1-c1nn(CN2CCOCC2)c(=S)o1
BDBM193870 O=c1oc2ccccc2cc1-c1nn(CN(c2ccccc2)c2ccccc2)c(=S)o1