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772 SMILES Strings for Aldose reductase

Compound NameSMILES String
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
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
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM16452 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM16469 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16496 OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O
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|
BDBM16512 NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
BDBM23409 COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM23416 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM23417 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM50001056 COc1ccc(cc1)C(=O)c1ccn(c1)-c1ccc(O)c(F)c1
BDBM50001059 Oc1ccc(cc1F)-n1ccc(c1)C(=O)c1ccc(Br)cc1F
BDBM50001063 Oc1ccc(cc1F)-n1ccc(c1)C(=O)C(F)F
BDBM50001061 Oc1ccc(cc1F)-n1cc(cc1C(=O)C(F)F)C(=O)c1ccccc1
BDBM50001047 Oc1ccc(cc1F)-n1ccc(c1)C(=O)c1ccccc1
BDBM50001057 COc1cccc(c1)C(=O)c1ccn(c1)-c1ccc(O)c(F)c1
BDBM50001018 Oc1ccc(cc1)-n1ccc(c1)C(=O)c1ccccc1
BDBM50001060 Oc1ccc(cc1F)-n1cc(cc1C(=O)C(F)(F)F)C(=O)c1ccccc1
BDBM50001058 Oc1ccc(cc1F)-n1ccc(c1)C(=O)c1ccc(OC(F)(F)F)cc1
BDBM50001062 Oc1ccc(cc1F)-n1ccc(c1)C(=O)C(F)(F)F
BDBM50230363 OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2F)c(=O)c2ccccc12
BDBM51954 OC(=O)Cn1cccc1C(=O)c1ccccc1
BDBM60919 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
BDBM76563 Oc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
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
BDBM84985 COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1
BDBM83922 Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
BDBM50003616 CCCC(CCC)C(O)=O
BDBM50005524 OC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)C(=O)CBr
BDBM50005525 OC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)C(=O)CCl
BDBM50005526 CC(=O)c1cc2C(=O)N(CC(O)=O)C(=O)c3cccc(c1)c23
BDBM50005527 OC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)C(=O)CI
BDBM50229580 OC(=O)Cc1ccc(=O)n(Cc2nc3cc(F)cc(F)c3s2)n1
BDBM50006496 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Br)cc2O1
BDBM50006498 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(F)cc2O1
BDBM50006506 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
BDBM50006507 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Br)cc2O1
BDBM50006519 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(F)cc2O1
BDBM50006490 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1
BDBM50006502 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
BDBM50009978 COc1ccc(cc1)C(=O)N(C)CC(O)=O
BDBM50009979 Nc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1
BDBM50009980 OC(=O)CN(C(=O)c1cccc2ccccc12)c1ccccc1
BDBM50009981 OC(=O)CN(C(=O)c1ccc2ccccc2c1)c1ccccc1
BDBM50009982 OC(=O)CNC(=O)c1ccc2ccccc2c1
BDBM50009983 COc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1
BDBM50009984 OC(=O)CN(C(=O)c1ccc(F)cc1)c1ccccc1
BDBM50009985 OC(=O)CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
BDBM50009986 CN(CC(O)=O)C(=O)c1ccc(N)cc1
BDBM50009987 CN(CC(O)=O)C(=O)c1ccc(C)cc1
BDBM50009834 CCCC(CCC)C([O-])=O
BDBM50009988 CN(CC(O)=O)C(=O)c1ccc(F)cc1
BDBM50009989 CN(CC(O)=O)C(=O)c1cccc2ccccc12
BDBM50009990 CN(CC(O)=O)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM50009991 CN(CC(O)=O)C(=O)c1ccc2ccccc2c1
BDBM50009992 Cc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1
BDBM50009993 OC(=O)CNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
BDBM50009994 OC(=O)CNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
BDBM50009832 CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
BDBM50009995 OC(=O)CNC(=O)c1cccc2ccccc12
BDBM50009996 OC(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM50010000 OC(=O)CNC(=O)c1cccc(NC(=O)c2ccccc2)c1
BDBM50009835 CCOC(=O)C1CN(Cc2ccncc2)C(=O)C1=O
BDBM50009997 OC(=O)CN(C(=O)c1ccccc1)c1ccccc1
BDBM50009998 CN(CC(O)=O)C(=O)c1ccccc1
BDBM50009999 OC(=O)CNC(=O)c1ccccc1
BDBM50009839 CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O
BDBM50010001 CN(CC(O)=O)C(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50010002 OC(=O)CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
BDBM50009768 OC(=O)Cc1nn(Cc2nc3c(ccc4ccccc34)s2)c(=O)c2ccc(Cl)cc12
BDBM50009777 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
BDBM50009844 Fc1ccc2-c3ccccc3C3(NC(=O)NC3=O)c2c1
BDBM50009847 CCOC(=O)C1C(=O)C(=O)NC11CCOc2ccc(F)cc12
BDBM50012762 C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)c[n+]([O-])c2O1
BDBM50012764 C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1
BDBM50010276 Fc1ccc2-c3ccccc3C3(CC(=O)NS3(=O)=O)c2c1
BDBM50010280 Fc1ccc2-c3ccccc3C3(CS(=O)(=O)NC3=O)c2c1
BDBM50010281 Fc1ccc2-c3ccc(F)cc3C3(CC(=O)NS3(=O)=O)c2c1
BDBM50010282 Fc1ccc2-c3ccc(F)cc3C3(CC(=O)NC3=O)c2c1
BDBM50010283 Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1
BDBM50010284 Fc1ccc2-c3ccc(F)cc3C3(CS(=O)(=O)NC3=O)c2c1
BDBM50010285 Clc1ccc2-c3ccccc3C3(CS(=O)(=O)NC3=O)c2c1
BDBM50010286 Clc1ccc2-c3ccccc3C3(CC(=O)NS3(=O)=O)c2c1
BDBM50010277 O=C1NS(=O)(=O)CC11c2ccccc2-c2ccccc12
BDBM50010278 O=C1CC2(c3ccccc3-c3ccccc23)S(=O)(=O)N1
BDBM50016549 COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccccc1
BDBM50016550 OC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM50016551 OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50016599 CC(=O)N(CC(O)=O)c1ccccc1
BDBM50016600 OC(=O)CN(C(=O)c1ccccc1)c1ccc(Cl)cc1
BDBM50016601 CC(=O)N(CC(O)=O)c1ccc(Cl)cc1
BDBM50016602 OC(=O)Cn1c2ccccc2c(=O)c2ccccc2c1=O
BDBM50016552 Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=O
BDBM50016553 OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM50016603 OC(=O)CNC(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50016604 COc1ccc(cc1)N(CC(O)=O)C(=O)c1ccccc1
BDBM50016605 CC(=O)N(CC(O)=O)c1ccc(N)cc1
BDBM50016554 OC(=O)CNS(=O)(=O)c1ccccc1[N+]([O-])=O
BDBM50016555 OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
BDBM50016556 OC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
BDBM50016558 OC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
BDBM50016559 CN(c1ccccc1C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50016560 Nc1ccccc1S(=O)(=O)N(CC(O)=O)c1ccccc1
BDBM50016606 OC(=O)CNC(=O)c1ccccc1[N+]([O-])=O
BDBM50016607 COc1ccc(cc1)N(CC(O)=O)C(C)=O
BDBM50016608 OC(=O)CNC(=O)c1ccccc1Cl
BDBM50016557 OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
BDBM50016609 OC(=O)CN1C(=O)c2cccc3cccc1c23
BDBM50016610 CC(=O)N(CC(O)=O)c1cccc(c1)[N+]([O-])=O
BDBM50016611 OC(=O)CN1c2ccccc2CCc2ccccc2C1=O
BDBM50016561 OC(=O)CNS(=O)(=O)c1ccccc1
BDBM50016562 Nc1ccccc1S(=O)(=O)NCC(O)=O
BDBM50016563 Nc1cccc(c1)S(=O)(=O)N(CC(O)=O)c1ccccc1
BDBM50016612 CC(N(C(C)=O)c1ccccc1)C(O)=O
BDBM50016613 Cc1ccc(cc1)C(=O)NCC(O)=O
BDBM50016614 COc1ccc(cc1)N(C(C)C(O)=O)C(C)=O
BDBM50016615 OC(=O)CN(C(=O)c1ccccc1)c1cccc2ccccc12
BDBM50016565 Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccccc1
BDBM50016566 Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccccc1
BDBM50016567 Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50016616 OC(=O)CNC(=O)c1ccc(Cl)cc1
BDBM50016617 COc1ccc(cc1)C(=O)NCC(O)=O
BDBM50016618 OC(=O)CN(C(=O)c1cccc(c1)[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O
BDBM50016619 OC(=O)CN(C(=O)c1ccccc1)c1ccc2ccccc2c1
BDBM50016568 OC(=O)CNS(=O)(=O)c1ccc(Cl)cc1
BDBM50016569 OC(=O)CNS(=O)(=O)c1ccc(F)cc1
BDBM50016571 OC(=O)c1ccccc1NS(=O)(=O)c1cccc2ccccc12
BDBM50016572 OC(=O)CN(c1ccccc1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
BDBM50016573 OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
BDBM50016620 CC(=O)N(CC(O)=O)c1ccc(C)cc1
BDBM50016621 OC(=O)Cn1c2ccccc2c2ccccc2c1=O
BDBM50016574 OC(=O)CNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50016622 CC(N(C(C)=O)c1ccc(Cl)cc1)C(O)=O
BDBM50016575 COc1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50016576 OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50016577 OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
BDBM50016578 COc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1C(O)=O
BDBM50016901 Cc1c(O)c2cccc3cccc(c23)c1=CC(O)=O |w:15.18|
BDBM50016579 OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50016580 OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
BDBM50016581 Nc1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50016582 OC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
BDBM50016583 OC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
BDBM50016584 OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
BDBM50016585 Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=O
BDBM50016586 CN(c1ccccc1C(O)=O)S(=O)(=O)c1ccc2ccccc2c1
BDBM50016587 Cc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccccc1
BDBM50016588 OC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
BDBM50016589 Nc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccccc1
BDBM50016590 Cc1cccc(c1)N(CC(O)=O)S(=O)(=O)c1ccccc1
BDBM50016591 OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+]([O-])=O
BDBM50016592 OC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50016541 Nc1cccc(c1)S(=O)(=O)NCC(O)=O
BDBM50016593 OC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
BDBM50016594 CC(=O)N(CC(O)=O)c1ccc(cc1)[N+]([O-])=O
BDBM50016595 CC(N(C(C)=O)c1ccc(C)cc1)C(O)=O
BDBM50016543 Cc1ccccc1N(CC(O)=O)S(=O)(=O)c1ccccc1
BDBM50016546 COc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=O
BDBM50016548 COc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccccc1
BDBM50016596 Cc1ccc(cc1)N(CC(O)=O)C(=O)c1ccccc1
BDBM50016597 CC(=O)N(CC(O)=O)c1ccc(O)cc1
BDBM50016598 OC(=O)CN(C(=O)c1ccccc1)c1cccc(c1)[N+]([O-])=O
BDBM50022176 CC(=O)Oc1ccc2c(CC(O)=O)cc(=O)oc2c1
BDBM50022177 NC(=O)Cc1cc(=O)oc2cc(O)ccc12
BDBM50022178 Cc1cc(=O)oc2cc(O)ccc12
BDBM50022275 OC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)N=C=S
BDBM50022276 COC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)N=C=S
BDBM50022277 OC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)N=[N+]=[N-]
BDBM50022333 OC(=O)CNS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1
BDBM50022334 OC(=O)CNS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
BDBM50022335 OC(=O)CNS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
BDBM50022336 OC(=O)CNS(=O)(=O)c1ccc(NOC(=O)Cc2ccccc2)cc1
BDBM50022337 OC(=O)CNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
BDBM50022338 OC(=O)CNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1
BDBM50022339 OC(=O)CNS(=O)(=O)c1ccc(NCc2ccccc2)cc1
BDBM50022340 OC(=O)CNS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1
BDBM50022341 OC(=O)CNS(=O)(=O)c1ccccc1NC(=O)c1ccccc1
BDBM50022342 OC(=O)CNS(=O)(=O)c1ccc(NC(=O)COCc2ccccc2)cc1
BDBM50022343 OC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2ccccc2)c1
BDBM50022179 OC(=O)Cc1cc(=O)oc2ccc3ccccc3c12
BDBM50022180 Cc1cc(=O)oc2cc(O)cc(O)c12
BDBM50022181 COc1ccc2c(CCC(O)=O)cc(=O)oc2c1
BDBM50022278 COC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)N=[N+]=[N-]
BDBM50022182 OC(=O)Cc1cc(=O)oc2cc(O)ccc12
BDBM50022183 OC(=O)Cc1cc(=O)oc2cc(O)cc(O)c12
BDBM50022184 Cc1cc(=O)oc2c(O)c(O)ccc12
BDBM50022398 OC1=NC(=O)C2(CCOc3ccc(Cl)cc23)O1 |t:1|
BDBM50022185 OC(=O)Cc1cc(=O)oc2c1ccc1ccccc21
BDBM50022186 OC(=O)Cc1cccc2ccccc12
BDBM50022187 COc1ccc2c(\C=C\C(O)=O)cc(=O)oc2c1
BDBM50022188 COc1ccc2c(cc(=O)oc2c1)C(O)=O
BDBM50022133 Oc1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1
BDBM50022134 COc1cc2nc(Nc3ccc(cc3)C(O)=O)[nH]c(=O)c2cc1OC
BDBM50022135 Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(O)=O
BDBM50022136 OC(=O)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1O
BDBM50022137 OC(=O)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1
BDBM50022244 COc1ccc2n(C(C)C(O)=O)c(=O)ccc2c1
BDBM50022245 OC(=O)Cn1c2c(O)cccc2ccc1=O
BDBM50022246 Cc1cc(=O)n(CC(O)=O)c2ccccc12
BDBM50022247 Cc1cc(=O)n(CC(O)=O)c2ccc(cc12)[N+]([O-])=O
BDBM50022248 CC(C(O)=O)n1c2ccccc2c(C)cc1=O
BDBM50022249 COc1ccc2n(CC(O)=O)c(=O)ccc2c1
BDBM50022250 CC(C(O)=O)n1c2c(O)cccc2ccc1=O
BDBM50022418 OC(=O)CC1(CC(O)=O)CCCC1
BDBM50022251 Cc1cc(=O)n(CCC(O)=O)c2ccccc12
BDBM50022252 OC(=O)Cn1c2ccc(O)cc2ccc1=O
BDBM50022344 CN(C)c1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50022345 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50022171 OC(=O)Cc1cc(=O)oc2cc(Cl)ccc12
BDBM50022172 COC(=O)Cc1cc(=O)oc2cc(O)ccc12
BDBM50022173 COc1ccc2c(CC(O)=O)cc(=O)oc2c1
BDBM50022174 CCc1ccc2c(CC(O)=O)cc(=O)oc2c1
BDBM50022175 OC(=O)Cc1cc(=O)oc2ccccc12
BDBM50025287 COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(O)c(O)c1
BDBM50025295 COc1cc(OC)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
BDBM50025302 COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
BDBM50028398 OC1=NC(=O)C2(CCOc3c(Cl)cc(Cl)cc23)O1 |t:1|
BDBM50025321 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1
BDBM50025972 OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1 |t:3,7|
BDBM50025973 CCOC(=O)c1cc(=O)c2ccc(O)cc2o1
BDBM50025974 CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
BDBM50025975 OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1
BDBM50025976 Clc1c(oc2ccccc2c1=O)-c1nnn[nH]1
BDBM50025977 CC(C)OC(=O)c1cc(=O)c2ccc(O)cc2o1
BDBM50025978 OC(=O)c1cc(=O)c2ccc(O)cc2o1
BDBM50025979 CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O
BDBM50025980 Oc1ccc2c(c1)oc(cc2=O)C(=O)OCc1ccccc1
BDBM50034798 OC(=O)CC1c2ccccc2-c2ccccc12
BDBM50034811 OC(=O)C1c2ccccc2-c2ccccc12
BDBM50040779 OC(=O)CC1c2ccccc2-c2ccc(F)cc12
BDBM50040780 O=C1NC(=O)C2(N1)c1ccccc1-c1ccccc21
BDBM50040781 OC(=O)CC1c2cc(F)ccc2-c2ccc(F)cc12
BDBM50040783 [#8]-[#6](=O)\[#6]=[#6]-1\c2cc(F)ccc2-c2ccc(F)cc-12
BDBM50040784 OC(=O)\C=C1/c2ccccc2-c2ccc(F)cc12
BDBM50040785 C(C1c2ccccc2-c2ccccc12)c1nnn[nH]1
BDBM50040782 CC(C)C1Oc2c(cccc2N(CC(O)=O)C1=S)C(C)C
BDBM50040777 OC(=O)C1CC11c2ccccc2-c2ccccc12
BDBM50040778 c1ccc-2c(c1)C(c1nnn[nH]1)c1ccccc-21
BDBM50049729 OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O
BDBM50049730 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
BDBM50049731 OC(=O)CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O
BDBM50049732 OC(=O)CN1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C1=O
BDBM50049394 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
BDBM50056908 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
BDBM50056525 OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=C)C1=O
BDBM50056526 OC(=O)Cn1ccc(=O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
BDBM50056527 OC(=O)Cn1ccc(=O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
BDBM50056531 OC(=O)CN1C(=O)N(Cc2nc3c(Cl)cccc3s2)C(=O)C1=O
BDBM50056532 OC(=O)CN1C(=S)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O
BDBM50056533 OC(=O)Cn1cc(O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
BDBM50056534 OC(=O)Cn1ccc(=O)n(Cc2nc3c(Cl)cccc3s2)c1=O
BDBM50056535 OC(=O)CN1C(=O)N(Cc2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)C1=O
BDBM50056538 OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O
BDBM50056539 OC(=O)Cn1cc(O)n(Cc2nc3c(Cl)cccc3s2)c1=O
BDBM50056540 OC(=O)CN1C(=O)N(Cc2nc3cc(Cl)ccc3s2)C(=O)C1=O
BDBM50067383 CC(C)N1C(=O)C(CC(O)=O)n2cccc2C1=O
BDBM50067384 OC(=O)CC1C(=O)NC(=O)c2cccn12
BDBM50067385 O=C1CC2(C(=O)N1)C(=O)N(CCc1ccccc1)C(=O)c1cccn21
BDBM50067386 Cc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50067387 Fc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(F)c1
BDBM50067388 Fc1cc(Br)ccc1CN1C(=O)c2cc(Br)cn2C2(CC(=O)NC2=O)C1=O
BDBM50067389 OC(=O)CCC1C(=O)NC(=O)c2cccn12
BDBM50067390 Clc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1Cl
BDBM50067391 Clc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
BDBM50067392 OC(=O)CC1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cccn12
BDBM50067393 CN1CC(=O)n2cccc2C1=O
BDBM50067394 O=C1CC2(C(=O)N1)C(=O)N(Cc1ccccc1)C(=O)c1cccn21
BDBM50067395 Fc1cc(Br)ccc1CN1C(=O)c2cc(Br)c(Br)n2C2(CC(=O)NC2=O)C1=O
BDBM50067396 Clc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50067397 Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@]2(CC(=O)NC2=O)C1=O
BDBM50067398 OC(=O)CC1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn12
BDBM50067399 Brc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50067400 Fc1cc(Br)ccc1CN1C(=O)c2ccc(Br)n2C2(CC(=O)NC2=O)C1=O
BDBM50067401 Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)n2C2(CC(=O)NC2=O)C1=O
BDBM50067402 Fc1cc(Br)ccc1CN1C(=O)c2cc(Cl)cn2C2(CC(=O)NC2=O)C1=O
BDBM50067403 Nc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50067404 Fc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50067405 OC(=O)CCC1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn12
BDBM50067373 O=C1CC2(C(=O)N1)C(=O)NC(=O)c1cccn21
BDBM50067374 OC(=O)CCC1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cccn12
BDBM50067375 Fc1cc(Cl)ccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
BDBM50067376 Fc1cc(Br)ccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
BDBM50067377 COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(OC)c1
BDBM50067406 CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
BDBM50067407 Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O
BDBM50067408 CC(=O)c1cc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)n2c1
BDBM50067409 Brc1cccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c1
BDBM50067410 COC(=O)CN(C)C(=O)c1ccc[nH]1
BDBM50067411 Fc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
BDBM50067412 CC(C)N1C(=O)C(CCC(O)=O)n2cccc2C1=O
BDBM50067413 Brc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O
BDBM50067414 FC(F)(F)c1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50067415 CN1C(=O)C(CCC(O)=O)n2cccc2C1=O
BDBM50067416 O=C1CC2(C(=O)N1)C(=O)N(C(=O)c1cccn21)c1ccccc1
BDBM50067417 CN(CC(O)=O)C(=O)c1ccc[nH]1
BDBM50067378 CN1C(=O)C(CC(O)=O)n2cccc2C1=O
BDBM50067379 Clc1cccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c1
BDBM50067380 [O-][N+](=O)c1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50067381 COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1OC
BDBM50067382 COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1
BDBM50071055 C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)CC1=O |r,c:12,t:10|
BDBM50089423 NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
BDBM50107134 OC(=O)CN\N=c1/n(Cc2ccc(cc2)C(F)(F)F)c2ccccc2n1C(=O)C(O)=O
BDBM50107135 OC(=O)Cn1nc2n(Cc3ccc(Br)cc3F)c3ccccc3n2c(=O)c1=O
BDBM50107136 OC(=O)CN\N=c1/n(CC(O)=O)c2ccccc2n1C(=O)C(O)=O
BDBM50107151 Cn1c2ccccc2n2c1nn(CC(O)=O)c(=O)c2=O
BDBM50107138 OC(=O)Cn1c2ccccc2n2c1nn(CC(O)=O)c(=O)c2=O
BDBM50107139 OC(=O)Cn1nc2n(Cc3ccc(F)c(F)c3)c3ccccc3n2c(=O)c1=O
BDBM50107140 OC(=O)CN\N=c1/n(Cc2ccc(F)cc2)c2ccccc2n1C(=O)C(O)=O
BDBM50107141 OC(=O)Cn1nc2n(Cc3ccccc3)c3ccccc3n2c(=O)c1=O
BDBM50107142 OC(=O)Cn1nc2n(Cc3ccc(F)cc3)c3ccccc3n2c(=O)c1=O
BDBM50107144 COc1ccc(Cn2c3ccccc3n3c2nn(CC(O)=O)c(=O)c3=O)cc1
BDBM50107145 OC(=O)CN\N=c1/n(Cc2ccc(Cl)cc2)c2ccccc2n1C(=O)C(O)=O
BDBM50107146 OC(=O)Cc1nnc2n(Cc3ccccc3)c3ccccc3n2c1=O
BDBM50107147 Cc1ccc(Cn2c3ccccc3n(C(=O)C(O)=O)\c2=N\NCC(O)=O)cc1
BDBM50107148 CCCn1c2ccccc2n(C(=O)C(O)=O)\c1=N\NCC(O)=O
BDBM50107149 CCCn1c2ccccc2n2c1nn(CC(O)=O)c(=O)c2=O
BDBM50107150 Cc1ccc(Cn2c3ccccc3n3c2nn(CC(O)=O)c(=O)c3=O)cc1
BDBM50107152 Cn1c2ccccc2n(C(=O)C(O)=O)\c1=N\NCC(O)=O
BDBM50107153 OC(=O)Cn1nc2n(Cc3ccc(Cl)cc3)c3ccccc3n2c(=O)c1=O
BDBM50107154 OC(=O)CN\N=c1/n(Cc2ccc(F)c(F)c2)c2ccccc2n1C(=O)C(O)=O
BDBM50107155 OC(=O)CN\N=c1/n(Cc2ccc(Br)cc2F)c2ccccc2n1C(=O)C(O)=O
BDBM50107156 OC(=O)Cn1nc2n(Cc3ccc(cc3)C(F)(F)F)c3ccccc3n2c(=O)c1=O
BDBM50107157 COc1ccc(Cn2c3ccccc3n(C(=O)C(O)=O)\c2=N\NCC(O)=O)cc1
BDBM50107158 OC(=O)CN\N=c1/n(Cc2ccccc2)c2ccccc2n1C(=O)C(O)=O
BDBM50107137 OC(=O)Cc1nnc2[nH]c3ccccc3n2c1=O
BDBM50107143 Cn1c2ccccc2n2c1nnc(CC(O)=O)c2=O
BDBM50122956 COc1ccc(cc1)C(=O)c1cc(C(=O)c2ccc(OC)cc2)n(CC(O)=O)c1
BDBM50126790 COc1ccc2NC(=O)C(C(C#N)C(O)=O)c2c1
BDBM50126791 Cc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3ccccc23)cc1
BDBM50126775 OC(=O)C(C#N)C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12
BDBM50126773 CCCN1C(=O)C(C(C#N)C(O)=O)c2cc(F)ccc12
BDBM50126774 OC(=O)C(C#N)C1C(=O)Nc2ccc(F)cc12
BDBM50126776 OC(=O)C(C#N)C1C(=O)Nc2ccc(Br)cc12
BDBM50126777 OC(=O)C(C#N)C1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc12
BDBM50126778 CN1C(=O)C(C(C#N)C(O)=O)c2cc(F)ccc12
BDBM50126779 OC(=O)C(C#N)C1C(=O)N(CCCl)c2ccc(F)cc12
BDBM50126780 Cc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3cc(F)ccc23)cc1
BDBM50126781 OC(=O)C(C#N)C1C(=O)N(Cc2ccc(cc2)C(F)(F)F)c2ccc(F)cc12
BDBM50126782 OC(=O)C(C#N)C1C(=O)N(Cc2ccccc2)c2ccc(F)cc12
BDBM50126783 COc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3cc(F)ccc23)cc1
BDBM50126784 COc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3ccccc23)cc1
BDBM50126785 Cc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3cc(Br)ccc23)cc1
BDBM50126786 OC(=O)C(C#N)C1C(=O)N(Cc2ccccc2)c2ccccc12
BDBM50126787 OC(=O)C(C#N)C1C(=O)N(Cc2ccc(cc2)C(F)(F)F)c2ccccc12
BDBM50126788 OC(=O)C(C#N)C1C(=O)Nc2ccc(cc12)[N+]([O-])=O
BDBM50126789 OC(=O)C(C#N)C1C(=O)Nc2ccccc12
BDBM50136865 OC(=O)c1ccccc1C(=O)NCCc1ccccc1
BDBM50136866 OC(=O)c1ccccc1C(=O)NCc1ccccc1
BDBM50136867 CCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1
BDBM50136868 OC(=O)CCCC(=O)NCCc1ccc(Br)cc1
BDBM50136869 COc1ccc(CCNC(=O)\C=C\C(O)=O)cc1
BDBM50136870 COc1ccc(CCNC(=O)c2ccccc2C(O)=O)cc1
BDBM50136871 CCC(C)C(=O)NCCc1ccc(O)cc1
BDBM50136872 OC(=O)CCCC(=O)NCc1ccccc1
BDBM50136873 Oc1ccc(CCNC(=O)c2ccccc2)cc1
BDBM50136874 OC(=O)CCC(=O)n1ccc2ccccc12
BDBM50136875 OC(=O)CCC(=O)N1CCc2ccccc12
BDBM50136876 OC(=O)CCCC(=O)NCCc1ccc(F)cc1
BDBM50136877 OC(=O)CCCC(=O)NCCc1ccc(Cl)cc1
BDBM50136878 OC(=O)c1ccccc1C(=O)NCCc1ccc(Br)cc1
BDBM50136879 OC(=O)CCC(=O)n1ccc2c(O)cccc12
BDBM50136880 OC(=O)c1ccccc1C(=O)NCCc1ccc(O)cc1
BDBM50136834 OC(=O)CCC(=O)NCCc1ccc(O)cc1
BDBM50136835 CCCCCCCCCC(=O)NCCc1ccc(O)cc1
BDBM50136836 COc1cc(cc(OC)c1OC)C(=O)NCCc1ccc(O)cc1
BDBM50136837 OC(=O)\C=C\C(=O)NCCc1ccc(Cl)cc1
BDBM50136838 OC(=O)\C=C\C(=O)N1CCc2ccccc12
BDBM50136839 OC(=O)CCC(=O)Nc1ccccc1
BDBM50136840 CCCCCCCCCCCC(=O)NCCc1ccc(O)cc1
BDBM50136841 OC(=O)c1ccccc1C(=O)n1ccc2ccccc12
BDBM50136842 CC(=O)NCCc1ccc(O)cc1
BDBM50136843 OC(=O)CCCC(=O)NCCc1ccccc1
BDBM50136844 CCCCC(=O)NCCc1ccc(O)cc1
BDBM50136845 OC(=O)c1ccccc1C(=O)NCCc1ccc(F)cc1
BDBM50136846 OC(=O)CCC(=O)NCCc1ccccc1
BDBM50136847 CCCCCCCC(=O)NCCc1ccc(O)cc1
BDBM50136848 OC(=O)CCC(=O)NCCc1ccc(Br)cc1
BDBM50136849 OC(=O)c1ccccc1C(=O)NCCc1ccc(Cl)cc1
BDBM50136850 OC(=O)CCC(=O)NCCc1ccc(F)cc1
BDBM50136851 OC(=O)\C=C\C(=O)NCCc1ccc(Br)cc1
BDBM50136852 COc1ccc(CCNC(=O)CCC(O)=O)cc1
BDBM50136853 OC(=O)c1ccccc1C(=O)Nc1ccccc1
BDBM50136854 OC(=O)\C=C\C(=O)NCCc1ccc(F)cc1
BDBM50136855 OC(=O)\C=C\C(=O)n1ccc2ccccc12
BDBM50136856 OC(=O)\C=C\C(=O)NCCc1ccc(O)cc1
BDBM50136857 OC(=O)c1ccccc1C(=O)N1CCc2ccccc12
BDBM50136858 OC(=O)CCC(=O)NCCc1ccc(Cl)cc1
BDBM50136859 OC(=O)\C=C\C(=O)NCc1ccccc1
BDBM50136860 COc1ccc(CCNC(=O)CCCC(O)=O)cc1
BDBM50136861 OC(=O)\C=C\C(=O)NCCc1ccccc1
BDBM50136862 OC(=O)CCCC(=O)Nc1ccccc1
BDBM50136863 OC(=O)\C=C\C(=O)Nc1ccccc1
BDBM50136864 OC(=O)CCC(=O)NCc1ccccc1
BDBM50142196 Oc1ccc(c(O)c1)-c1cc(=O)c2ccc(O)cc2o1
BDBM50146185 Nc1cc(cc(F)c1O)-n1cccc1
BDBM50146186 Nc1cc(cc(F)c1O)-n1ccc(c1)C(=O)c1ccccc1
BDBM50146187 OC(=O)Cn1ccc(c1)C(=O)c1ccccc1
BDBM50154215 Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nnn[nH]2)cc1
BDBM50154216 OC(=O)Cc1cn(Cc2cccc(Cl)c2)c2ccccc12
BDBM50154217 CC(OCc1ccc(Cl)cc1)C(NC(=O)CC(C)(C)C)C(O)=O
BDBM50154218 OC(=O)c1nnn(c1-c1ccccc1)-c1cccc(Br)c1
BDBM50154219 OC(=O)C1CN(Cc2ccc(Cl)cc2)C(=O)C1
BDBM50154220 CC(OCc1ccccc1)C(NC(=O)OCc1ccccc1)C(O)=O
BDBM50187665 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
BDBM50188301 Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O |(-2.12,-2.68,;-3.66,-2.69,;-4.56,-3.95,;-4.08,-5.41,;-2.58,-5.71,;-2.09,-7.17,;-3.11,-8.33,;-4.62,-8.02,;-5.63,-9.15,;-5.14,-10.61,;-7.13,-8.85,;-7.62,-7.39,;-6.6,-6.25,;-5.1,-6.56,;-6.04,-3.48,;-7.38,-4.24,;-8.72,-3.47,;-10.05,-4.24,;-8.71,-1.93,;-7.38,-1.16,;-6.05,-1.92,;-4.57,-1.44,;-4.1,.03,;-2.6,.35,;-1.56,-.78,;-2.12,1.82,)|
BDBM50207159 NNC(N)=N
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50223783 COc1cc2C[C@@H](CO)[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)c2cc1O |r|
BDBM50221748 COc1ccc(cc1OC)-c1cc(=O)n2c(O)cccc2n1
BDBM50221750 Oc1ccc(Cc2cc(=O)n3c(O)cccc3n2)cc1O
BDBM50221754 COc1ccc(Cc2cc(=O)n3c(O)cccc3n2)cc1
BDBM50221756 COc1ccc(cc1OC)-c1cc(=O)n2ccccc2n1
BDBM50221764 COc1ccc(cc1OC)-c1cc(=O)n2cccc(O)c2n1
BDBM50221765 COc1ccc(Cc2cc(=O)n3c(O)cccc3n2)cc1OC
BDBM50221747 COc1ccc(cc1)-c1cc(=O)n2c(O)cccc2n1
BDBM50221749 Oc1ccc(cc1O)-c1cc(=O)n2ccccc2n1
BDBM50221751 Oc1ccc(cc1O)-c1cc(=O)n2c(O)cccc2n1
BDBM50221752 Oc1ccc(cc1)-c1cc(=O)n2c(O)cccc2n1
BDBM50221753 O=c1cc(nc2ccccn12)-c1ccccc1
BDBM50221755 Oc1ccc(cc1)-c1cc(=O)n2ccccc2n1
BDBM50221757 Oc1ccc(cc1O)-c1cc(=O)n2cccc(O)c2n1
BDBM50221758 Oc1cccc2nc(Cc3ccccc3)cc(=O)n12
BDBM50221759 Oc1ccc(Cc2cc(=O)n3c(O)cccc3n2)cc1
BDBM50221760 COc1ccc(cc1)-c1cc(=O)n2ccccc2n1
BDBM50221761 COc1ccc(cc1)-c1cc(=O)n2cccc(O)c2n1
BDBM50221762 Oc1cccc2nc(cc(=O)n12)-c1ccccc1
BDBM50221763 Oc1ccc(cc1)-c1cc(=O)n2cccc(O)c2n1
BDBM50221766 Oc1cccn2c1nc(cc2=O)-c1ccccc1
BDBM50231605 C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)[C@H](O)C1=O |r,c:12,t:10|
BDBM50241243 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50251024 Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F
BDBM50251030 COc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
BDBM50250383 Oc1ccc(cc1)-c1oc2cc(O)cc3c(O)c(-c4ccc(O)cc4)c4c(O)cc(O)cc4c1c23
BDBM50250467 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
BDBM50251269 COC(=O)C[C@]1(O)C(=O)c2c(O)cc(O)cc2O[C@]1(OC)c1ccc(O)c(O)c1 |r|
BDBM50251270 COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50257635 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C |r,t:13|
BDBM50242235 C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)C[C@H](O)[C@]12C |r|
BDBM50242236 C[C@H]1C(=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r|
BDBM50242237 C[C@H]1[C@@]2(O)OC[C@@]11CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O)[C@@H]1C[C@H]2O |r|
BDBM50242239 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O |r,t:18|
BDBM50242240 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@H](O)[C@]3(C)CC[C@@]12C)C(O)=O |r,t:18|
BDBM50242241 CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C[C@H](O)[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O |r,t:10|
BDBM50242248 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:11|
BDBM50242249 C[C@H]1[C@@H](C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O |r,c:12|
BDBM50242250 C[C@H]1[C@@H](C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O |r,c:12|
BDBM50242286 COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O
BDBM50241345 O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
BDBM50241354 OC[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 |r|
BDBM50241358 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 |r|
BDBM50241955 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:11|
BDBM50242199 C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CCc5c(C)c(O)c(O)cc5[C@]4(C)CC[C@@]23C)[C@H](O)C1=O |r|
BDBM50242200 C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CCC5C(C)C(=O)C(=O)C[C@H]5[C@]4(C)CC[C@@]23C)[C@H](O)C1=O |r|
BDBM50242201 C[C@@H]1C[C@H](OC(C)=O)[C@H](O)[C@@]2(COC(C)=O)[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C)OC(=O)c1ccccc1 |r,THB:20:19:10.17.16:26.25|
BDBM50242207 OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50242208 COc1cc(cc(OC)c1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12 |r|
BDBM50242209 COc1cc(ccc1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12 |r|
BDBM50242229 C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r|
BDBM50242230 C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C |r|
BDBM50260164 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50260165 COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O |r|
BDBM50260166 CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)\C=C\c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
BDBM50260167 CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)\C=C\c3ccc(O)cc3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
BDBM50260168 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50260169 C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50260170 COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50251023 Oc1c(F)cc(NS(=O)(=O)c2ccccc2)cc1F
BDBM50251025 Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
BDBM50248650 O[C@H]1CO[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O |r|
BDBM50266547 CC(C)c1ccc2occ(C=C3SC(O)=NC3=O)c(=O)c2c1 |w:10.9,c:14|
BDBM50266591 Cc1ccc2occ(\C=C3\SC(=O)N(CC(O)=O)C3=O)c(=O)c2c1
BDBM50266592 Cc1cc(C)c2occ(\C=C3\SC(=O)N(CC(O)=O)C3=O)c(=O)c2c1
BDBM50266593 CC(C)c1ccc2occ(\C=C3\SC(=O)N(CC(O)=O)C3=O)c(=O)c2c1
BDBM50266594 OC(=O)CN1C(=O)S\C(=C\c2coc3ccc(cc3c2=O)[N+]([O-])=O)C1=O
BDBM50266546 Cc1ccc2occ(C=C3SC(O)=NC3=O)c(=O)c2c1 |w:8.7,c:12|
BDBM50289627 OC(=O)CCCCCc1nc2c(F)c(F)cc(F)c2s1
BDBM50292596 OC(=O)CN1C(=O)S\C(=C/c2cccc(c2)-c2cc(=O)c3ccccc3o2)C1=O
BDBM50292597 OC1=NC(=O)C(S1)=Cc1ccc2oc(cc(=O)c2c1)-c1ccccc1 |w:7.8,t:1|
BDBM50292352 Oc1cc2oc(-c3ccc(O)c(O)c3)c(OS([O-])(=O)=O)c(O)c2c(=O)c1
BDBM50292353 COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1OS([O-])(=O)=O
BDBM50292354 COc1cc(ccc1O)-c1oc2cc(OS([O-])(=O)=O)cc(O)c2c(=O)c1OS([O-])(=O)=O
BDBM50292355 COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(O)c2=O
BDBM50292356 COc1cc2oc(-c3ccc(O)c(OC)c3)c(OS([O-])(=O)=O)c(O)c2c(=O)c1
BDBM50292357 COc1ccc(cc1O)-c1oc2cc(OS([O-])(=O)=O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50292598 O=C1NC(=O)\C(S1)=C\c1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM50292599 OC(=O)CN1C(=O)S\C(=C/c2ccc3oc(cc(=O)c3c2)-c2ccccc2)C1=O
BDBM50289610 OC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
BDBM50289611 OC(=O)CN(CCc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1
BDBM50289612 Cc1cc(CC(O)=O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
BDBM50289613 OC(=O)CN(C(=O)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1
BDBM50289614 OC(=O)Cc1cc(Cl)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
BDBM50289615 OC(=O)Cc1cc(I)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
BDBM50289616 OC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1Cl
BDBM50289617 OC(=O)Cc1cc(F)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
BDBM50289618 OC(=O)Cc1ccc(Cc2nc3c(F)c(F)cc(F)c3s2)cc1
BDBM50289619 CN(C)c1cc(CC(O)=O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
BDBM50289620 CN(CC(O)=O)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1
BDBM50289621 OC(=O)Cc1cc(Br)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
BDBM50289622 OC(=O)CN(Cc1ccccc1)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1
BDBM50289623 CN(CC(O)=O)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1
BDBM50289624 OC(=O)CN(C(=S)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1
BDBM50289625 OC(=O)CN(Cc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1
BDBM50289626 OC(=O)Cc1ccccc1Cc1nc2c(F)c(F)cc(F)c2s1
BDBM50289628 OC(=O)Cc1cc(Cc2nc3c(F)c(F)cc(F)c3s2)cc(c1)C(O)=O
BDBM50289629 OC(=O)CC1Sc2ccccc2N(Cc2nc3c(F)c(F)cc(F)c3s2)C1=O
BDBM50289741 OC(=O)Cn1nc-2c(CCc3ccccc-23)c(Cc2nc3cc(ccc3s2)C(F)(F)F)c1=O
BDBM50275507 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:11|
BDBM50296977 Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O
BDBM50310706 CO[C@H]1O[C@@]2(C)CC[C@H]3C[C@]2(O[C@@H]2O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@H](O)[C@H]2O)[C@]13COC(=O)c1ccccc1 |r|
BDBM50310707 Cc1cc2OC[C@H](CO)c2cc1O |r|
BDBM50310708 CCCCO[C@]12C[C@]3(C)OC(O1)[C@]1(COC(=O)c4ccccc4)[C@@H]2C[C@@]31O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50310713 C[C@@]12C[C@@]3(O)OC(O1)[C@]1(COC(=O)c4ccccc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50310714 C[C@@]12C[C@@]3(O)OC(O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@@H]3C[C@@]21O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50310715 C[C@@]12C[C@@]3(O)OC(O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50310717 CO[C@]12C[C@H]3[C@H](COC(=O)c4ccccc4)C(O1)O[C@](C)(C2)C3=O |r,TLB:20:19:3.2.17:5,23:22:3.2.17:5,THB:18:19:3:17.16.5,20:19:3:17.16.5,23:22:3:17.16.5,23:22:3.21.2:18.16.5,21:19:3.2.17:5|
BDBM50310718 COc1ccc(C(C)=O)c(O)c1
BDBM50310719 COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r|
BDBM50310720 COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 |r|
BDBM50310721 COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 |r|
BDBM50310722 C[C@@]12C(=O)C(=O)C(=O)C1=CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C |r,c:9|
BDBM50310723 C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O |r,t:19|
BDBM50308547 OC(=O)CCn1ccc(c1)C(=O)c1ccccc1
BDBM50308548 OC(=O)CCCn1ccc(c1)C(=O)c1ccccc1
BDBM50308549 O=C(c1ccn(c1)-c1nnn[nH]1)c1ccccc1
BDBM50308550 O=C(c1cccn1-c1nnn[nH]1)c1ccccc1
BDBM50327036 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r|
BDBM50312509 CCn1c2ccccc2n2c1nn(CC(O)=O)c(=O)c2=O
BDBM50312510 OC(=O)Cn1nc2n(Cc3ccc(O)cc3)c3ccccc3n2c(=O)c1=O
BDBM50312511 OC(=O)Cn1nc2n(Cc3ccc(Br)cc3Cl)c3ccccc3n2c(=O)c1=O
BDBM50312512 Nc1ccc(Cn2c3ccccc3n3c2nn(CC(O)=O)c(=O)c3=O)cc1
BDBM50312513 CN(C)c1ccc(Cn2c3ccccc3n3c2nn(CC(O)=O)c(=O)c3=O)cc1
BDBM50312514 OC(=O)Cn1nc2n(Cc3ccc(Br)cc3)c3ccccc3n2c(=O)c1=O
BDBM50312515 OC(=O)Cn1nc2n(Cc3ccc(cc3)C(Cl)(Cl)Cl)c3ccccc3n2c(=O)c1=O
BDBM50312516 OC(=O)Cn1nc2n(Cc3ccc(Cl)cc3F)c3ccccc3n2c(=O)c1=O
BDBM50312517 OC(=O)Cn1nc2n(Cc3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)c3ccccc3n2c(=O)c1=O
BDBM50312518 OC(=O)Cn1nc2n(Cc3ccc(F)cc3F)c3ccccc3n2c(=O)c1=O
BDBM50312519 OC(=O)Cn1nc2n(Cc3ccc(CC(=O)Oc4ccccc4)cc3)c3ccccc3n2c(=O)c1=O
BDBM50330608 Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1F
BDBM50330609 Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)N2CCCC2)cc1F
BDBM50330610 Oc1c(F)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1F
BDBM50330611 COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
BDBM50330612 CCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
BDBM50330613 Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1
BDBM50330614 Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50330615 Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)c1cc(F)c(O)c(F)c1
BDBM50330616 Oc1c(F)cc(cc1F)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50330617 OC1=NOC[C@@H]1NS(=O)(=O)c1ccccc1 |r,t:1|
BDBM50336702 Oc1c(F)ccc(c1F)-n1ccc(c1)C(=O)c1ccccc1
BDBM50336703 COc1cccc(c1)C(=O)c1cccn1-c1cc(F)c(O)c(F)c1
BDBM50336704 COc1ccc(cc1)C(=O)c1cccn1-c1cc(F)c(O)c(F)c1
BDBM50336705 Oc1c(F)cc(cc1F)-n1cccc1C(=O)c1ccccc1
BDBM50336706 COc1cccc(c1)C(=O)c1ccn(c1)-c1cc(F)c(O)c(F)c1
BDBM50336707 COc1ccc(cc1)C(=O)c1ccn(c1)-c1cc(F)c(O)c(F)c1
BDBM50336708 Oc1c(F)cc(cc1F)-n1ccc(c1)C(=O)c1ccccc1
BDBM50333032 OC(=O)CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2ccccc12
BDBM50333033 OC(=O)CN1CN(Cc2cccc(c2)[N+]([O-])=O)S(=O)(=O)c2ccccc12
BDBM50333034 OC(=O)CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2cc(F)ccc12
BDBM50333035 OC(=O)CN1CN(Cc2cccc(c2)[N+]([O-])=O)S(=O)(=O)c2cc(F)ccc12
BDBM50333036 OC(=O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2cc(F)ccc12
BDBM50333037 OC(=O)CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2cc(Cl)ccc12
BDBM50333038 OC(=O)CN1CN(Cc2cccc(c2)[N+]([O-])=O)S(=O)(=O)c2cc(Cl)ccc12
BDBM50333039 OC(=O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2cc(Cl)ccc12
BDBM50333040 OC(=O)CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2cc(Br)ccc12
BDBM50333041 OC(=O)CN1CN(Cc2cccc(c2)[N+]([O-])=O)S(=O)(=O)c2cc(Br)ccc12
BDBM50333042 OC(=O)CN1CN(Cc2ccc(cc2)C(F)(F)F)S(=O)(=O)c2cc(Br)ccc12
BDBM50333043 OC(=O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2cc(Br)ccc12
BDBM50359494 OC(=O)\C=C1/CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc12
BDBM50359495 OC(=O)\C=C1/CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2ccccc12
BDBM50359496 OC(=O)\C=C1/CN(Cc2cccc(c2)[N+]([O-])=O)S(=O)(=O)c2ccccc12
BDBM50359497 OC(=O)CC1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc12
BDBM50357119 Cc1c(Sc2ccccc2)c2cc(C)ccc2n1CC(O)=O
BDBM50362839 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:2.25,4.22,wD:1.0,7.8,4.4,(-1.06,-23.53,;-1.06,-21.99,;.29,-21.22,;.29,-19.66,;-1.06,-18.89,;.22,-18.03,;-2.39,-19.66,;-2.39,-21.22,;-3.73,-21.99,;-3.73,-23.53,;-2.39,-24.3,;-5.06,-24.3,;-5.06,-25.84,;-6.39,-26.61,;-7.73,-25.84,;-9.06,-26.61,;-9.06,-28.15,;-10.39,-28.92,;-7.72,-28.92,;-7.71,-30.46,;-6.39,-28.15,;-1.91,-17.6,;-.95,-16.4,;-3.45,-17.53,;1.62,-21.99,;1.61,-23.53,;.28,-24.3,;2.95,-24.3,;2.94,-25.84,;4.27,-26.62,;4.26,-28.16,;5.59,-28.93,;6.93,-28.16,;8.26,-28.93,;6.93,-26.61,;8.26,-25.84,;5.6,-25.85,)|
BDBM50362636 C[C@H](O)[C@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1 |r|
BDBM50362637 CC(=O)[C@@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM50362638 CC(=O)[C@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM50362639 CC(=O)[C@@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1 |r|
BDBM50362640 CC(=O)[C@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1 |r|
BDBM50362641 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc3[C@@H]([C@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5[C@@H](Oc6cc(O)cc4c56)c4ccc(O)cc4)[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]1c23
BDBM50362642 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc3[C@H]([C@@H]4[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5[C@@H](Oc6cc(O)cc4c56)c4ccc(O)cc4)[C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]1c23 |r|
BDBM50362643 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc([C@@H]3[C@H]4[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@@H]5[C@H](Oc6cc(O)c([C@H]3c3ccc(O)cc3)c4c56)c3ccc(O)cc3)c2[C@H]1c1cc(O)cc(O)c1 |r|
BDBM50362644 Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@H]([C@H]4[C@H]([C@@H](c5c4c4[C@H]([C@@H](Oc4cc5O)c4ccc(O)cc4)c4cc(O)cc(O)c4)c4ccc(O)cc4)c3c2[C@H]1c1cc(O)cc(O)c1)c1ccc(O)cc1 |r|
BDBM50362645 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(C3[C@H]([C@@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5[C@@H](Oc6cc(O)c3c4c56)c3ccc(O)cc3)c3ccc(O)cc3)c2[C@H]1c1cc(O)cc(O)c1 |r|
BDBM50362646 Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@@H]4[C@@H]([C@@H]([C@H](c5ccc(O)cc5)c5c(O)cc6O[C@H]([C@@H](c6c45)c4cc(O)cc(O)c4)c4ccc(O)cc4)c3c2[C@H]1c1cc(O)cc(O)c1)c1ccc(O)cc1 |r,THB:11:13:34.25.17:15,51:50:34.25.17:15|
BDBM50362647 Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@@H]([C@H]([C@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@@H]1c2c34)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r|
BDBM50362648 Oc1ccc(cc1)[C@H]1Oc2cc(O)c3[C@@H]([C@H]([C@@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]1c2c34)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r|
BDBM50362649 Oc1ccc(cc1)[C@@H]1[C@@H]2[C@@H]3c4ccc(O)cc4[C@H]([C@H](c4cc(O)cc(O)c34)c3c2c([C@H]1c1cc(O)cc(O)c1)c(O)cc3O)c1ccc(O)cc1 |r,TLB:20:19:8.28.27:10.16.17,24:26:8.28.27:10.16.17|
BDBM50362650 Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3[C@H]4[C@@H](Oc5cc(O)cc([C@H]6[C@@H](Oc7cc(O)cc([C@H]1c23)c67)c1ccc(O)cc1)c45)c1ccc(O)cc1 |r|
BDBM50362651 Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@H]([C@@H]([C@@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@@H]1c2c34)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r|
BDBM50362653 O[C@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]2[C@@H](Oc3cc(O)cc1c23)c1ccc(O)cc1 |r|
BDBM50362654 O[C@H]1[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]2[C@@H](Oc3c2c1ccc3O)c1ccc(O)cc1 |r|
BDBM50362655 O[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)cc2-c2c(oc3cc(O)cc1c23)-c1ccc(O)cc1 |r|
BDBM50362656 O[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)c(O)c2-c2c(oc3cc(O)cc1c23)-c1ccc(O)c(O)c1 |r|
BDBM50362657 O[C@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)cc2C(=O)c2c(O)cc(O)cc12 |r|
BDBM50362658 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)cc1\C=C\c1ccc(O)cc1 |r|
BDBM50362659 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)cc1\C=C/c1ccc(O)cc1 |r|
BDBM50378693 C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50378694 C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50378695 C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50378696 C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50378697 C[C@@]12CC(=O)[C@H]3C[C@]1(O)O[C@H](O2)[C@@H]3COC(=O)c1ccccc1 |r|
BDBM50378581 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50377911 C[C@H]1[C@@]2(O)CC[C@@H]3[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r|
BDBM50379282 C[C@H](O)[C@H](O)C#CC#C[C@@H](O)\C=C\CCCCCC=C |r|
BDBM50379283 COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50379284 COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50379286 C\C=C\C#CC#CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50379287 COc1cc(CC=C)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50379288 C\C=C\C#CC#C[C@H](O)CCO |r|
BDBM50379289 CO[C@@H]1[C@H](Oc2cc(C(C)=O)c(O)cc12)C(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50379290 CC1=CC[C@H](O)[C@@]2(C)[C@H](CC(=O)C=Cc3ccc(O)cc3)C[C@H]([C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12)C(C)(C)O |r,w:12.11,t:1|
BDBM50379291 CC(C)[C@@H]1C[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:24|
BDBM50367831 OC(=O)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 |r|
BDBM50367838 OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 |r|
BDBM50367826 OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |r|
BDBM50367827 Cc1ccc(cc1)S(=O)(=O)N[C@H](C(O)=O)c1ccccc1 |r|
BDBM50367828 OC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 |r|
BDBM50367829 OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |r|
BDBM50367830 OC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 |r|
BDBM50367832 COc1ccc(cc1)S(=O)(=O)N[C@H](C(O)=O)c1ccccc1 |r|
BDBM50367833 COc1ccc(cc1)S(=O)(=O)N[C@@H](C(O)=O)c1ccccc1 |r|
BDBM50367834 OC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |r|
BDBM50367835 OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 |r|
BDBM50367836 Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(O)=O)c1ccccc1 |r|
BDBM50367837 OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |r|
BDBM50405729 OC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
BDBM50412262 Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1O
BDBM50412263 COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(O)cc1OC
BDBM50412264 COc1cc(O)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50412265 COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(OC)cc1OC
BDBM50412266 COc1c(O)c(OC)c2c(oc(cc2=O)-c2ccccc2)c1OC
BDBM50412267 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(O)c(OC)c(OC)c2o1
BDBM50412268 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
BDBM50412269 COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1
BDBM50412270 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2o1 |r|
BDBM50412271 COc1cc(ccc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
BDBM50412272 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
BDBM50412273 COc1cc(ccc1O)-c1cc(=O)c2c(OC)c(O)c(OC)c(OC)c2o1
BDBM50412274 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1
BDBM50412275 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(O)c(O)c(OC)c2o1
BDBM50412276 COc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccc(O)cc1
BDBM50412277 COc1c(O)c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1OC
BDBM50412278 COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1O
BDBM50412279 COc1c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c(OC)c1OC
BDBM50412280 COc1c(O)c(OC)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1
BDBM50412281 COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1OC
BDBM50412282 COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(OC)c1O
BDBM50412283 COc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(O)c(O)c1
BDBM50412284 COc1c(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2c1oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1
BDBM50412285 COc1cc(O)c(OC)c2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12
BDBM50412286 COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50412287 COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(OC)c1OC
BDBM50412288 COc1c(O)c(OC)c2c(oc(cc2=O)-c2ccc(O)cc2)c1OC
BDBM50412289 COc1c(O)cc(O)c2c1oc(-c1ccc(O)c(O)c1)c(OC)c2=O
BDBM50412290 COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1O
BDBM50412291 Oc1ccc(cc1O)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
BDBM50412292 COc1cc(OC)c2c(oc(-c3ccc(O)c(O)c3)c(OC)c2=O)c1OC
BDBM50412293 COc1cc(OC)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1O
BDBM50412294 COc1c(OC)c(OC)c2c(oc(cc2=O)-c2ccc(O)cc2)c1OC
BDBM50412295 COc1cc2oc(cc(=O)c2c(OC)c1O)-c1ccc(O)c(O)c1
BDBM50412296 COc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50412297 COc1cc(O)c(OC)c2oc(cc(=O)c12)-c1ccc(O)c(O)c1
BDBM50412298 COc1c(O)c(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
BDBM50412299 COc1c(oc2cc(O)c(O)c(O)c2c1=O)-c1ccc(O)c(O)c1
BDBM50412300 COc1c(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c(OC)c1OC
BDBM50412301 COc1c(O)c(Cc2ccccc2)c2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
BDBM50412302 COc1c(O)c(OC)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
BDBM50412303 COc1c(OC)c(OC)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
BDBM50412304 COc1cc(ccc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1 |r|
BDBM50412305 COc1cc(ccc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1cc(O)c2c(cc(OC)c(OC)c2=O)o1 |r|
BDBM50412306 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |r|
BDBM50412307 COc1cc2oc(-c3ccc(O)c(O)c3)c(C(C)=O)c(=O)c2c(OC)c1OC
BDBM50412308 COc1c(O)c(O)c2c(oc(cc2=O)-c2ccccc2)c1OC
BDBM50412309 COc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
BDBM50425854 Oc1c(F)cc(cc1F)-n1cccc1C(=O)C(F)(F)F
BDBM50425855 Oc1c(F)cc(cc1F)-n1ccc(c1)C(=O)c1ccc(OC(F)(F)F)cc1
BDBM50425856 Oc1c(F)cc(cc1F)-n1cccc1C(=O)c1ccc(OC(F)(F)F)cc1
BDBM50425857 Oc1c(F)cc(cc1F)-n1ccc(c1)C(=O)c1ccc(Br)cc1F
BDBM50425858 Oc1c(F)cc(cc1F)-n1cccc1C(=O)c1ccc(Br)cc1F
BDBM50425859 Oc1c(F)cc(cc1F)-n1ccc(c1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50425860 Oc1c(F)cc(cc1F)-n1cccc1C(=O)c1ccc(cc1)-c1ccccc1
BDBM50438788 On1cc(cn1)-n1ccc(c1)C(=O)c1ccccc1
BDBM50438790 COc1ccc(cc1)C(=O)c1cccn1CC(O)=O
BDBM50438792 COc1ccc(cc1)C(=O)c1ccn(CC(O)=O)c1
BDBM50438795 On1cc(cn1)-n1cccc1C(=O)c1ccccc1
BDBM50444639 SC1=NC(=O)C(S1)=CC(=Cc1cccs1)C#N |w:9.10,7.8,t:1|
BDBM50444640 Cc1ccc(C=C(C=C2SC(S)=NC2=O)C#N)cc1 |w:5.4,7.6,c:11|
BDBM50444641 OC(=O)CN1C(=S)S\C(=C/C(=C/c2ccco2)/C#N)C1=O
BDBM50444642 OC(=O)CN1C(=S)S\C(=C/C(=C/c2ccccc2)/C#N)C1=O
BDBM50444638 OC(=O)c1ccc(cc1)N1C(=S)S\C(=C/C(=C/c2ccccc2)/C#N)C1=O
BDBM50438787 COc1ccc(cc1)C(=O)c1ccn(c1)-c1cnn(O)c1
BDBM50438789 OC(=O)Cn1cccc1C(=O)c1ccc(cc1)-c1ccccc1
BDBM50438793 On1cc(cn1)-n1cccc1C(=O)c1ccc(cc1)-c1ccccc1
BDBM50438794 COc1ccc(cc1)C(=O)c1cccn1-c1cnn(O)c1
BDBM50438796 On1cc(cn1)-n1ccc(c1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50438797 OC(=O)Cn1ccc(c1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50015585 CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccc(C)cc1)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1 |t:10|
BDBM50015586 CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1 |t:10|
BDBM50015587 CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(cc1)N(C)C |c:19|
BDBM50015588 CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N(C)C |c:19|
BDBM50015589 CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=S)NC1CCCCC1 |t:10|
BDBM50015584 CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1 |t:10|
BDBM50080556 CN(C)Cc1c(C)n(CC(O)=O)c2ccccc12
BDBM50080557 CCN(CC)Cc1cn(CC(O)=O)c2ccccc12
BDBM50080465 CC(C)Sc1nnc2c3ccccc3n(CC(O)=O)c2n1
BDBM50080537 CC(C)(C)C(=O)c1cn(CC(O)=O)c2ccccc12
BDBM50080471 OC(=O)Cn1c2ccccc2c2nc3ccccc3nc12
BDBM50080554 OC(=O)Cn1cc(N2CCOCC2)c2ccccc12
BDBM50080468 Cc1cc(C)c(NC(=O)CSc2nnc3c4ccccc4n(CC(O)=O)c3n2)c(C)c1
BDBM50080469 CCCNC(=O)CSc1nnc2c3cc(C)ccc3n(CC(O)=O)c2n1
BDBM50080538 OC(=O)Cn1ccc2ccccc12
BDBM50080472 OC(=O)Cn1c2CCCc2c2ccccc12
BDBM50080464 OC(=O)Cn1c2ccccc2c2nnc(S)nc12
BDBM50080466 OC(=O)Cn1c2ccccc2c2nnc(Sc3ccccc3F)nc12
BDBM50080552 OC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c12
BDBM50080553 OC(=O)Cn1c2ccccc2c2nn3c(nc4ccccc34)nc12
BDBM50080555 OC(=O)Cn1cc(N2CCCC2)c2ccccc12
BDBM50115818 COc1cc(cc(OC)c1O)[C@H]1O[C@@H]([C@@H](CO)[C@@H]1CO)c1cc(OC)c(O)c(OC)c1 |r|
BDBM50115819 COc1cc(cc(OC)c1O)[C@H]1O[C@@H]([C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1CO)c1cc(OC)c(O)c(OC)c1 |r|
BDBM50115820 COc1cc(OC)cc(c1)-c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r|
BDBM50115821 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(c1)-c1ccc(O)c(O)c1 |r|
BDBM50115822 COc1cc(O)cc(c1)-c1ccc(O)c(O)c1
BDBM50167991 OC(=O)CN1CN(Cc2ccc(O)cc2)S(=O)(=O)c2cc(O)ccc12
BDBM50167992 COc1ccc(CN2CN(CC(O)=O)c3ccc(OC)cc3S2(=O)=O)cc1
BDBM50168004 Cc1ccc2N(CC(O)=O)CN(Cc3ccc(O)cc3)S(=O)(=O)c2c1
BDBM50168012 COc1ccc(CN2CN(CC(O)=O)c3ccc(Cl)cc3S2(=O)=O)cc1
BDBM50168014 COc1ccc(CN2CN(CC(O)=O)c3ccc(C)cc3S2(=O)=O)cc1
BDBM50168015 Cc1ccc2N(CC(O)=O)CN(Cc3cc(O)ccc3F)S(=O)(=O)c2c1
BDBM50168016 COc1ccc(F)c(CN2CN(CC(O)=O)c3ccc(Br)cc3S2(=O)=O)c1
BDBM50168017 COc1ccc(F)c(CN2CN(CC(O)=O)c3ccc(C)cc3S2(=O)=O)c1
BDBM50167989 OC(=O)CN1CN(Cc2ccccc2)S(=O)(=O)c2cc(O)ccc12
BDBM50167990 COc1ccc2N(CC(O)=O)CN(Cc3ccccc3)S(=O)(=O)c2c1
BDBM50168013 COc1ccc(CN2CN(CC(O)=O)c3ccc(Br)cc3S2(=O)=O)cc1
BDBM50208580 COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccccc1 |r,c:7|
BDBM50208486 COc1cccc2C=C(COc12)C(=O)N[C@@H](C(C)C)c1ncc([nH]1)-c1ccc(Br)cc1 |r,c:7|
BDBM50208487 CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ncc([nH]1)-c1ccccc1 |r,t:7|
BDBM50208488 COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(F)cc1 |c:7|
BDBM50208489 Brc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1 |t:16|
BDBM50208490 COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cccnc1 |r,c:7|
BDBM50208491 Clc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1 |t:16|
BDBM50208492 COc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1 |t:17|
BDBM50208572 COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccccc1 |c:7|
BDBM50208575 O=C(NCc1ncc([nH]1)-c1ccccc1)C1=Cc2ccccc2OC1 |t:17|
BDBM50208576 COc1cccc2C=C(COc12)C(=O)N[C@@H](C(C)C)c1ncc([nH]1)-c1ccccc1 |r,c:7|
BDBM50208578 CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ncc([nH]1)-c1ccc(Br)cc1 |r,t:7|
BDBM50208579 COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(Cl)cc1 |r,c:7|
BDBM50208581 COc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3cccc(OC)c3OC2)[nH]1 |t:17|
BDBM50208582 COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(Cl)cc1 |c:7|
BDBM50208583 Fc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1 |t:16|
BDBM50208584 Clc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)C1=Cc2ccccc2OC1 |r,t:22|
BDBM50208585 O=C(N1CCC[C@H]1c1ncc([nH]1)-c1ccccc1)C1=Cc2ccccc2OC1 |r,t:21|
BDBM50208586 COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(Br)cc1 |c:7|
BDBM50208587 O=C(N1CCC[C@H]1c1ncc([nH]1)-c1cccnc1)C1=Cc2ccccc2OC1 |r,t:21|
BDBM50226983 Fc1ccc2SCC[C@]3(NC(=O)NC3=O)c2c1
BDBM50226985 Clc1cc(Cl)c2OCCC3(NC(=O)NC3=O)c2c1
BDBM50226986 OC(=O)C1CCSc2ccc(Cl)cc12
BDBM50226987 Cc1cc(Cl)cc2c1OCCC21NC(=O)NC1=O
BDBM50226988 Clc1cc2SCCC3(NC(=O)NC3=O)c2cc1Cl
BDBM50226990 O=C1NC(=O)C2(CCOc3c2ccc2ccccc32)N1
BDBM50226991 Clc1cc2c(OCCC22NC(=O)NC2=O)c2ccccc12
BDBM50226992 Clc1ccc2OCCC3(CC(=O)NC3=O)c2c1
BDBM50227014 Clc1cc2c3n(CCC22NC(=O)NC2=O)c(=O)ccc3c1
BDBM50227017 O=C1NC(=O)C2(CCOc3ccc(cc23)-c2ccccc2)N1
BDBM50229024 CC(C)c1c(O)c(O)c(\C=N\O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(\C=N\O)c2c1O |(-.81,7.22,;.52,6.45,;1.86,7.22,;.52,4.91,;1.86,4.14,;3.19,4.91,;1.86,2.6,;3.19,1.83,;.52,1.83,;.52,.29,;1.86,-.48,;1.86,-2.02,;-.81,2.6,;-2.14,1.83,;-2.14,.29,;-3.48,2.6,;-3.48,4.14,;-4.81,4.91,;-2.14,4.91,;-.81,4.14,;-4.81,1.83,;-4.81,.29,;-3.48,-.48,;-6.14,-.48,;-7.48,.29,;-8.81,-.48,;-8.81,-2.02,;-7.48,-2.79,;-10.14,-2.79,;-10.14,.29,;-11.48,-.48,;-10.14,1.83,;-11.48,2.6,;-8.81,2.6,;-8.81,4.14,;-7.48,4.91,;-7.48,6.45,;-7.48,1.83,;-6.14,2.6,;-6.14,4.14,)|
BDBM50226984 Clc1cc2OCCC3(NC(=O)NC3=O)c2cc1Cl
BDBM50226989 Fc1cccc2c1OCCC21NC(=O)NC1=O
BDBM50229581 OC(=O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2cccnc12