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1038 SMILES Strings for Adenosine A1 receptor

Compound NameSMILES String
BDBM50267577 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
BDBM50009525 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82022 Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50009552 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM10850 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
BDBM10847 Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM15336 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
BDBM21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
BDBM21220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM21221 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM25400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM25902 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
BDBM35804 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
BDBM38453 CC(C)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM52672 CCOC(=O)c1cnc2nc(C)ccc2c1O
BDBM82014 CCN(CC)CCn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM82015 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM82016 Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O
BDBM82031 Nc1[nH]c(=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82032 CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
BDBM82020 Cn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM82023 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM82025 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM82558 CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM82011 CC(O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
BDBM82012 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
BDBM82013 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
BDBM82017 CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM81971 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1
BDBM81925 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
BDBM81818 NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
BDBM81819 NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
BDBM82009 O=c1[nH]c2nc[nH]c2c(=O)[nH]1
BDBM82010 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
BDBM86757 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50451979 Cc1cccc(Cl)c1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451980 O[C@@H]1[C@@H](CSc2nc3ccc(Cl)cc3o2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451997 Cn1ccnc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451998 O[C@@H]1[C@@H](CSc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50451999 O[C@@H]1[C@@H](CSc2ncccn2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451981 O[C@@H]1[C@@H](COc2cccc(F)c2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451982 O[C@@H]1[C@@H](CSc2ccc(F)cc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451983 O[C@@H]1[C@@H](COc2ccc(F)cc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451987 O[C@@H]1[C@@H](CSc2nc3ccccc3s2)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50451988 Cc1csc(SC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(NC4CCOC4)ncnc23)n1 |r|
BDBM50451989 O[C@@H]1[C@@H](CSc2ccccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50452000 O[C@@H]1[C@@H](CSc2ccccc2C(F)(F)F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50452001 O[C@@H]1[C@@H](CSc2ccccn2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50452002 Cc1ccccc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50452003 COc1ccc2sc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)nc2c1 |r|
BDBM50452004 Cn1ccnc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50452005 O[C@@H]1[C@@H](COc2ccccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451984 COc1ccc2nc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)sc2c1 |r|
BDBM50451990 O[C@@H]1[C@@H](CSc2c(Cl)cccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50452006 O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451985 Cc1ccccc1OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451991 O[C@@H]1[C@@H](CSc2cccc(F)c2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451992 O[C@@H]1[C@@H](COCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451993 O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50451994 O[C@@H]1[C@@H](CSc2nc3ccccc3s2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451995 Cc1cccc(C)c1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50451986 Cc1cc(COC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(NC4CCOC4)ncnc23)no1 |r|
BDBM50451996 O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50004577 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCC1
BDBM50004578 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCC1C2 |TLB:6:17:23:21.20|
BDBM50004579 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C1CCCC1
BDBM50004580 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C12CC3CC1CC(C2)C3 |THB:19:18:15:21.20.22,19:20:15:18.17|
BDBM50004581 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C(C1CC1)C1CC1
BDBM50004582 CCCn1c(nc2n(CCC)c(=O)n(CCC)c(=O)c12)C(C1CC1)C1CC1
BDBM50004583 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1
BDBM50004584 FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12
BDBM50004585 CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
BDBM50004586 CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
BDBM50004587 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
BDBM50004588 CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3 |THB:21:20:17:23.22.24,21:22:17:20.19|
BDBM50004589 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C1CCCC1
BDBM50004590 CCCn1c2nc(C(C3CC3)C3CC3)n(C)c2c(=O)n(CCC)c1=O
BDBM50004592 CCCn1c2nc(CC34CC5CC(CC(C5)C3)C4)[nH]c2c(=O)n(CCC)c1=O |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:13:14:9:12.17.11,13:12:9:14.16.15|
BDBM50004593 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C(C)(C)CCC1(C)C
BDBM50004594 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
BDBM50004595 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3 |TLB:16:15:20:17.18,THB:16:17:20:14.15.21|
BDBM50004596 CCCn1c2nc(C(C3CC3)C3CC3)n(CC)c2c(=O)n(CCC)c1=O
BDBM50004562 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
BDBM50004564 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C(C1CC1)C1CC1
BDBM50004565 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,THB:22:23:26:20.21.27|
BDBM50004567 CCCn1c2nc(C(C3CC3)C3CC3)n(CC(O)=O)c2c(=O)n(CCC)c1=O
BDBM50004568 CCCn1c2nc(CC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50004571 Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
BDBM50004572 CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
BDBM50004573 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C(C1CC1)C1CC1
BDBM50004574 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
BDBM50004575 FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50004576 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C12CC3CC1CC(C2)C3 |TLB:18:17:22:19.20,THB:18:19:22:16.17.23|
BDBM50004566 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50003018 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
BDBM50003019 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
BDBM50003021 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
BDBM50003022 CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
BDBM50003023 CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
BDBM50003024 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
BDBM50001489 CCCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50001490 CCCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50001491 CCCCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50001492 CCCn1c2ncn(CC)c2c(=O)[nH]c1=O
BDBM50001493 CCCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50001494 CCCCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50001496 CCCn1c2ncn(CC)c2c(=O)n(C)c1=O
BDBM50001497 CCCn1c2ncn(C)c2c(=O)n(C)c1=O
BDBM50001498 CCCCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50001499 CCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
BDBM50001500 CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
BDBM50001501 CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
BDBM50001502 CCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50001503 CCCn1c2ncn(C)c2c(=O)n(CC)c1=O
BDBM50001506 CCCn1c2ncn(C)c2c(=O)[nH]c1=O
BDBM50001507 CCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
BDBM50001508 CCCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
BDBM50001509 CCCn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM50001510 CCn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM50001511 CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM50001512 CCCCn1c(=O)n(CCC)c2ncn(C)c2c1=O
BDBM50001513 CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
BDBM50001514 CCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50001516 CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
BDBM50001517 CCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50005365 CCCn1c2nc(CC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)[nH]c2c(=O)n(CCC)c1=O |THB:13:12:9:14.16.15,13:14:9:12.17.11|
BDBM50005366 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
BDBM50005368 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccn1C
BDBM50005369 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2o1
BDBM50005370 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)CCC
BDBM50005371 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnns1
BDBM50005372 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1csc(C)n1
BDBM50005373 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)CC
BDBM50005374 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC2CCCC12
BDBM50005375 CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O |TLB:7:8:14:12.11|
BDBM50005376 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1Cc2ccccc2C1
BDBM50005377 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1c2ccccc2-c2ccccc12
BDBM50005378 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)C
BDBM50005379 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20|
BDBM50005380 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@H]1CC2CCC1C2 |THB:6:17:23:21.20|
BDBM50005381 CCCn1c2nc(CC3CC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50005382 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnsn1
BDBM50005384 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
BDBM50005386 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(O)CC
BDBM50005387 CCCn1c2nc(CC(C)(C)C)[nH]c2c(=O)n(CCC)c1=O
BDBM50005388 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)CC
BDBM50005390 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nnn[nH]1
BDBM50005392 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
BDBM50005393 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@H]1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
BDBM50005394 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)C
BDBM50005395 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(O)(CC)CC
BDBM50005396 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2n1C
BDBM50005399 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(co1)S([O-])(=O)=O
BDBM50005400 CCCC(CCC)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1
BDBM50005403 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1(C)CCCCC1
BDBM50005405 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2s1
BDBM50005406 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)CC
BDBM50008387 C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
BDBM50008405 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50008391 Cn1cnc2c(NC3CC4CCC3C4)ncnc12
BDBM50008408 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCc2ccc(N)c(I)c2)cc1
BDBM50008415 OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50006695 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3CC1CC3C2 |TLB:6:17:19:24.25,6:17:21:24.23,THB:23:22:19:24.25,23:24:19:17.22.21,25:18:21:24.23,25:24:17.18.19:21,(-1.61,-5.86,;-1.61,-4.3,;-.27,-3.53,;-.27,-1.98,;1.08,-1.2,;2.55,-1.69,;3.48,-.43,;2.55,.83,;1.08,.34,;-.27,1.12,;-.27,2.68,;-1.6,.34,;-2.93,1.12,;-2.96,2.68,;-4.29,3.45,;-1.6,-1.2,;-2.93,-1.98,;5.02,-.4,;5.3,-3.04,;4.83,-1.82,;5.84,-.99,;6.17,.27,;7.49,.35,;7.96,-.87,;6.94,-1.7,;6.61,-2.96,)|
BDBM50006696 CCCn1c2nc(CCC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50006697 CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O
BDBM50006698 CCCn1c2nc(C=Cc3ccc(Cl)cc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50006699 CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)[nH]c1=O |w:8.8|
BDBM50006700 CCCn1c2nc(C=Cc3ccc(OC)cc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50006701 CCCn1c2nc(C\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006702 CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006703 CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006704 CCCn1c2nc(\C=C\c3ccc(Cl)c(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006705 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC
BDBM50006706 CCCn1c2nc(C=Cc3ccc(Cl)c(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50006707 CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006708 CCCn1c2nc(CCc3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006709 COc1cc(\C=C\c2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3n2C)cc(OC)c1OC
BDBM50006710 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006711 CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50006712 CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50006713 CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50006714 CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006715 COc1cc(C=Cc2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
BDBM50006716 COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
BDBM50006717 CCCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCCC)c1=O |w:9.9|
BDBM50006718 CCCn1c2nc(\C(C)=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006719 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)=Cc1ccccc1 |w:19.21|
BDBM50006720 CCCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCCC)c1=O
BDBM50006721 CCCn1c2nc(CC=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:9.9|
BDBM50006722 CCCn1c2nc(CCC3CCCC3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006730 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
BDBM50009509 Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009530 Nc1nc(NCCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009535 Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |t:7|
BDBM50011214 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CCCCC1)C1CCCCC1
BDBM50011216 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1
BDBM50011217 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccccc1
BDBM50011218 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)Oc1ccccc1
BDBM50011219 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(c1ccccc1)c1ccccc1
BDBM50011220 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CCCC1)c1ccccc1
BDBM50011221 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccc(OC)cc1
BDBM50011222 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)c1ccccc1
BDBM50011223 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1C)C1CC1C
BDBM50011224 CCCn1c2nc(C(C3CC3)C3CC3)n(C(=O)OC)c2c(=O)n(CCC)c1=O
BDBM50011225 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccc(F)cc1
BDBM50011226 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccc(OC)cc1
BDBM50011594 N(c1ccccc1)c1nc2ccccc2c2nc([nH]c12)-c1ccccc1
BDBM50011596 C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21
BDBM50011600 C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
BDBM50011597 Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
BDBM50011598 N(c1ccccc1)c1nc2ccccc2c2nc[nH]c12
BDBM50011599 C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12
BDBM50011215 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)N
BDBM50011842 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
BDBM50011824 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
BDBM50011593 Nc1nc2ccccc2c2nc[nH]c12
BDBM50011595 Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
BDBM50014260 Cn1cnc2n(C)c(=O)[nH]c(=O)c12
BDBM50017999 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1
BDBM50018013 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)c2ccc(CBr)cc2)cc1
BDBM50018420 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C1CCCC1
BDBM50018157 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50018159 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
BDBM50018162 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50017981 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
BDBM50017983 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC=O)cc1
BDBM50017991 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1
BDBM50368128 CC(C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50015509 Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1N
BDBM50023390 CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023391 CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023392 CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023394 CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023395 CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023396 CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023397 CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023398 CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023399 CCCn1c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023400 Nc1ccc(CCn2c3[nH]c(nc3c(=O)n(CCc3ccc(N)cc3)c2=O)-c2ccc(OCC(O)=O)cc2)cc1
BDBM50023401 CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50023402 CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50020846 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(O)c1
BDBM50020847 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N
BDBM50020849 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(N)c1
BDBM50020850 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1C(O)=O
BDBM50020851 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(c1)C(O)=O
BDBM50020989 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1N
BDBM50020991 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1[N+]([O-])=O
BDBM50020992 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCSCC1
BDBM50020994 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM50020995 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc2ccccc12
BDBM50020996 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)-c1ccccc1
BDBM50020959 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cccc(c1)S(O)(=O)=O
BDBM50020960 Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccccc1
BDBM50020961 CCc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020962 OS(=O)(=O)c1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50020963 Nc1cc(Cl)ccc1-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50020964 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)[N+]([O-])=O
BDBM50020965 COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020966 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(Cl)cc1N
BDBM50020967 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
BDBM50020968 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50020998 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)N(C)C
BDBM50020999 COc1ccc(-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c(OC)c1
BDBM50021000 Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccc(Cl)cc1N
BDBM50021001 COc1cc(OC)cc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50021002 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(N)(=O)=O
BDBM50021003 COc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50021004 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
BDBM50021005 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)c(Cl)c1
BDBM50021007 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc2ccccc2c1
BDBM50021008 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
BDBM50021010 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCCN(C)C
BDBM50021012 CN(C)c1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50021013 Cc1ccc(-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c(N)c1
BDBM50021014 CCCCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50021015 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1N)[N+]([O-])=O
BDBM50021016 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(Br)cc1
BDBM50021017 CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50021018 CSc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020970 COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020971 Cc1cc(O)cc(C)c1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020972 CN(C)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020973 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
BDBM50020974 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
BDBM50020975 COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020976 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1N
BDBM50020977 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(C)O
BDBM50020978 Cc1ccc(-c2nc3n(C)c(=O)n(CC=C)c(=O)c3[nH]2)c(N)c1
BDBM50020979 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCC(=O)OCC
BDBM50020980 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cccc(c1)S(=O)(=O)NCCN(C)C
BDBM50020983 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(c1)[N+]([O-])=O
BDBM50020985 CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50020986 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
BDBM50020987 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
BDBM50020845 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1O
BDBM50020852 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1
BDBM50020969 Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020981 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Br)cc1
BDBM50020982 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1F
BDBM50020984 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(F)c1
BDBM50020988 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
BDBM50020990 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(Br)c1
BDBM50020997 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(I)cc1
BDBM50021006 Cc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50021009 Cc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50021011 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(F)cc1
BDBM50028190 CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM50025585 Cn1c2ncn(CCO)c2c(=O)n(C)c1=O
BDBM50040056 CCCn1c2nnn(C3CCCCC3)c2c(=O)n(CCC)c1=O
BDBM50040047 Cn1c2nnn(C3CCCC3)c2c(=O)n(C)c1=O
BDBM50040050 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCCC1
BDBM50040048 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1
BDBM50040049 Cn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(C)c1=O
BDBM50040053 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CC2CCC1C2
BDBM50040055 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCC1
BDBM50040051 CCCn1c2nnn(C3CCCCC3O)c2c(=O)n(CCC)c1=O
BDBM50040052 CCCn1c2nnn(C3CCCC3)c2c(=O)n(CCC)c1=O
BDBM50040057 Cn1c2nnn(C3CC4CCC3C4)c2c(=O)n(C)c1=O
BDBM50040058 Cn1c2nnn(C3CCCCC3)c2c(=O)n(C)c1=O
BDBM50040059 Cn1c2nnn(C3CCCCC3O)c2c(=O)n(C)c1=O
BDBM50040060 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCC1
BDBM50040061 Cn1c2nn(nc2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
BDBM50040062 CCCn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(CCC)c1=O
BDBM50040063 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1O
BDBM50040054 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
BDBM50039949 O=c1[nH]c2ccccc2n2nc(nc12)-c1cccs1
BDBM50039954 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccco1
BDBM50039956 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccoc1
BDBM50039957 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccsc1
BDBM50039959 COc1ccc(cc1)-c1nc2n(n1)c1cc(Cl)ccc1[nH]c2=O
BDBM50039960 O=c1[nH]c2ccccc2n2nc(nc12)-c1ccco1
BDBM50042210 Cn1cnc2[nH]c(=O)n(C)c(=O)c12
BDBM50047237 CCCn1c2ncn(CCC(C)=O)c2c(=O)n(C)c1=O
BDBM50047238 CCCn1c2nc[nH]c2c(=O)n(CCC#N)c1=O
BDBM50047239 CCCn1c2nc[nH]c2c(=O)n(CCOC)c1=O
BDBM50047240 CCCn1c2ncn(CCOC)c2c(=O)n(C)c1=O
BDBM50047241 CCCn1c2ncn(CC(N)=O)c2c(=O)n(C)c1=O
BDBM50047242 CCCn1c2nc[nH]c2c(=O)n(CCC(N)=O)c1=O
BDBM50047243 CCCn1c2ncn(CCN(C)C)c2c(=O)n(C)c1=O
BDBM50047244 CCCn1c2nc[nH]c2c(=O)n(CC(N)=O)c1=O
BDBM50047245 CCCn1c2ncn(CCO)c2c(=O)n(C)c1=O
BDBM50047246 CCCn1c2nc[nH]c2c(=O)n(CCN(C)C)c1=O
BDBM50047247 CCCCn1c2ncn(CC(C)=O)c2c(=O)n(CCCC)c1=O
BDBM50047248 CCCn1c2ncn(CCCO)c2c(=O)n(C)c1=O
BDBM50047249 CCCn1c2nc[nH]c2c(=O)n(CCO)c1=O
BDBM50047250 CCCn1c2nc[nH]c2c(=O)n(CCCOC)c1=O
BDBM50047251 CCCn1c2ncn(CCC(N)=O)c2c(=O)n(C)c1=O
BDBM50047252 CCCn1c2ncn(CCC=C)c2c(=O)n(C)c1=O
BDBM50047253 CCCn1c2ncn(CCC#N)c2c(=O)n(C)c1=O
BDBM50047254 CCCn1c2nc[nH]c2c(=O)n(CCC(O)=O)c1=O
BDBM50047255 CCCn1c2nc[nH]c2c(=O)n(CCC=C)c1=O
BDBM50047256 CCCn1c2ncn(CC(O)=O)c2c(=O)n(C)c1=O
BDBM50047257 CCCn1c2ncn(CC#N)c2c(=O)n(C)c1=O
BDBM50047258 CCCn1c2nc[nH]c2c(=O)n(CCCCC(C)=O)c1=O
BDBM50047224 CCCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
BDBM50047225 CCCn1c2ncn(CC(C)=O)c2c(=O)n(C)c1=O
BDBM50047226 CCCn1c2nc[nH]c2c(=O)n(CC(C)=O)c1=O
BDBM50047227 CCCn1c2ncn(CCC(O)=O)c2c(=O)n(C)c1=O
BDBM50047228 CCCn1c2nc[nH]c2c(=O)n(CC(O)=O)c1=O
BDBM50047229 CCCn1c2ncn(CC=C)c2c(=O)n(C)c1=O
BDBM50047230 CCCn1c2nc[nH]c2c(=O)n(CCC(C)=O)c1=O
BDBM50047174 CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50047231 CCCn1c2nc[nH]c2c(=O)n(CCOCC)c1=O
BDBM50047232 CCCn1c2ncn(CCOCC)c2c(=O)n(C)c1=O
BDBM50047233 CCCn1c2nc[nH]c2c(=O)n(CC#N)c1=O
BDBM50047234 CCCn1c2ncn(CCCN(C)C)c2c(=O)n(C)c1=O
BDBM50047235 CCCn1c2nc[nH]c2c(=O)n(CCCN(C)C)c1=O
BDBM50047236 CCCn1c2nc[nH]c2c(=O)n(CCCO)c1=O
BDBM50044429 CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCCC1
BDBM50044430 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C(C1CC1)C1CC1
BDBM50044431 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:20:21:24:18.19.25|
BDBM50044432 CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |THB:28:27:24:30.29.31,28:29:24:27.26|
BDBM50044433 CCCn1c(=O)n(CCc2ccc(NC(=O)C(C)C)cc2)c2nc([nH]c2c1=O)C1CCCC1
BDBM50044435 CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1
BDBM50048466 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50048468 COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O
BDBM50053171 COC(=O)c1cnc(nc1Cc1ccccc1)N(C)C
BDBM50053172 CN(C)c1ncc(C(O)=O)c(Cc2ccccc2)n1
BDBM50051672 C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50058235 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21 |THB:6:17:22.24:20,23:22:20:17.18,23:24:20:17.18|
BDBM50059101 Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1
BDBM50062852 CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1
BDBM50062855 CCCn1c(=O)n(COCC)c2nc([nH]c2c1=O)C1CCCC1
BDBM50062856 CCCn1c(=O)n(\C=C\CI)c2nc([nH]c2c1=O)C1CCCC1
BDBM50062857 CCCn1c2nc([nH]c2c(=O)n(CC(C)F)c1=O)C1CCCC1
BDBM50062858 CCCn1c(=O)n(CC(C)F)c2nc([nH]c2c1=O)C1CCCC1
BDBM50062859 CCCn1c2nc([nH]c2c(=O)n(COCC)c1=O)C1CCCC1
BDBM50063179 [O-][N+](=O)c1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
BDBM50063180 C(Cn1nnc2c(NC3CCCC3)ncnc12)c1ccccc1
BDBM50063181 Clc1ccccc1Cn1nnc2c(NCC3CCCCC3)ncnc12
BDBM50063182 [O-][N+](=O)c1ccc(CNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
BDBM50063183 Clc1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
BDBM50063184 CC1CCCC(C1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12
BDBM50063185 C(c1ccccc1)n1nnc2c(NC3CCCC3)ncnc12
BDBM50063186 Nc1ccc(CNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
BDBM50063187 [O-][N+](=O)c1ccc(CNc2ncnc3n(Cc4ccccc4)nnc23)cc1
BDBM50063188 Clc1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
BDBM50063189 Cc1ccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
BDBM50063190 CC(Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12
BDBM50063191 Cc1ccc(Nc2ncnc3n(Cc4ccccc4)nnc23)cc1
BDBM50063192 [O-][N+](=O)c1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
BDBM50063193 Cc1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
BDBM50063194 Clc1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
BDBM50063195 CC(Nc1ncnc2n(Cc3ccccc3Cl)nnc12)c1ccccc1
BDBM50063196 Nc1ccc(Nc2ncnc3n(CCc4ccccc4)nnc23)cc1
BDBM50063197 Cc1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
BDBM50063198 C(c1ccccc1)n1nnc2c(NC3CCCCC3)ncnc12
BDBM50063199 CC(Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3)nnc12
BDBM50063200 CC1CCCC(C1)Nc1ncnc2n(Cc3ccccc3)nnc12
BDBM50063201 Cc1ccc(Nc2ncnc3n(CCc4ccccc4)nnc23)cc1
BDBM50063202 CC(Cc1ccccc1)Nc1ncnc2n(CCc3ccccc3)nnc12
BDBM50063203 Cc1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
BDBM50063204 Clc1ccccc1Cn1nnc2c(NC3CCCCC3)ncnc12
BDBM50063205 CC(Nc1ncnc2n(CCc3ccccc3)nnc12)c1ccccc1
BDBM50063206 [O-][N+](=O)c1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
BDBM50063207 Nc1ccc(Nc2ncnc3n(Cc4ccccc4)nnc23)cc1
BDBM50063208 Nc1ccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
BDBM50063209 Nc1ccc(CCNc2ncnc3n(Cc4ccccc4)nnc23)cc1
BDBM50063210 C(Cn1nnc2c(NC3CCCCC3)ncnc12)c1ccccc1
BDBM50063211 CC(Nc1ncnc2n(Cc3ccccc3)nnc12)c1ccccc1
BDBM50063212 C(Nc1ncnc2n(Cc3ccccc3)nnc12)C1CCCCC1
BDBM50063213 [O-][N+](=O)c1ccc(CCNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
BDBM50063214 [O-][N+](=O)c1ccc(CCNc2ncnc3n(Cc4ccccc4)nnc23)cc1
BDBM50063215 Clc1ccccc1Cn1nnc2c(NC3CCCC3)ncnc12
BDBM50063216 Nc1ccc(CNc2ncnc3n(Cc4ccccc4)nnc23)cc1
BDBM50063217 [O-][N+](=O)c1ccc(CNc2ncnc3n(CCc4ccccc4)nnc23)cc1
BDBM50062853 FCCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
BDBM50062854 CCCn1c(=O)[nH]c2nc(C3CCCC3)n(C)c2c1=O
BDBM50069319 CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
BDBM50079652 OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
BDBM50079654 OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
BDBM50080398 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50083915 O=c1c(nnc2[nH]c3ccccc3n12)-c1ccsc1
BDBM50083916 Oc1ccc(cc1)-c1nnc2[nH]c3ccccc3n2c1=O
BDBM50083917 Cn1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
BDBM50083918 Oc1ccc(cc1O)-c1nnc2[nH]c3ccccc3n2c1=O
BDBM50083919 O=c1c(n[nH]c2nc3ccccc3n12)-c1ccco1
BDBM50083920 O=c1c(n[nH]c2nc3ccccc3n12)-c1cccs1
BDBM50083922 O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
BDBM50088421 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50088422 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50086161 COc1ccc(NC(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)cc1
BDBM50086162 O=c1n(nc2c(NCc3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50086126 Nc1nc2ccccc2n2c1nn(-c1ccc(Cl)cc1)c2=O
BDBM50086127 Nc1nc2ccccc2n2c1nn(-c1cccc(F)c1)c2=O
BDBM50086128 COc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086130 Cc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
BDBM50086131 Cc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50086132 Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
BDBM50086133 O=c1n(nc2n1c1ccccc1[nH]c2=O)-c1ccccc1
BDBM50086134 CCC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086135 Clc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086136 O=c1n(nc2c(NCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50086137 Cc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086138 Fc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086139 O=c1n(nc2n1c1ccccc1n(CC#C)c2=O)-c1ccccc1
BDBM50086140 O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
BDBM50086141 Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n21
BDBM50086142 O=c1n(nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50086143 COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50086144 Cc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
BDBM50085658 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50085660 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc(Cl)c3)nc(NC3CCCC3)nc12
BDBM50085661 Nc1nc(N[C@@H]2CCC[C@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50085662 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@@H]3CCC[C@H]3O)nc12
BDBM50085663 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3O)nc(Cl)nc12
BDBM50085664 Nc1nc(N[C@H]2CCC[C@@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50085665 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12
BDBM50085666 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12
BDBM50085668 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@@H]3CCC[C@H]3O)nc12
BDBM50085670 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC3CCCC3)nc12
BDBM50085671 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12
BDBM50085672 Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50085673 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12
BDBM50085674 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:7.12,5.4,35.37,wD:8.8,10.11,38.41,(-2.14,-10.42,;-1.05,-9.34,;-1.45,-7.85,;-.35,-6.77,;-.7,-5.26,;1.12,-7.24,;2.36,-6.34,;3.6,-7.24,;3.12,-8.72,;4.04,-9.95,;1.59,-8.72,;.69,-9.95,;3.38,-4.67,;4.3,-3.42,;3.38,-2.18,;1.92,-2.66,;.59,-1.89,;.57,-.35,;1.92,.42,;1.89,1.96,;3.23,2.73,;4.55,1.96,;5.89,2.73,;5.89,4.28,;4.53,5.03,;3.21,4.26,;.57,2.71,;.57,4.26,;-.77,5.01,;-2.1,4.24,;-2.09,2.7,;-.77,1.93,;-.75,-2.66,;-.75,-4.22,;-2.09,-4.98,;-2.87,-3.64,;-4.41,-3.66,;-5.2,-2.31,;-4.42,-.95,;-5.2,.37,;-2.87,-.95,;-2.09,-2.29,;.59,-4.98,;1.92,-4.2,)|
BDBM50086145 O=C(Nc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086146 CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086147 Cc1cccc(c1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50086148 O=c1n(nc2c(NCCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50086149 O=C(Cc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086150 Clc1ccc(cc1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
BDBM50086151 CCCn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
BDBM50086152 Nc1nc2c(NCc3ccccc3)cccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086153 Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086154 Cc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086155 O=c1n(nc2c(NC3CCCC3)nc3ccccc3n12)-c1ccccc1
BDBM50086157 Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
BDBM50086159 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50086160 Cn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
BDBM50090688 Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O
BDBM50091110 Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
BDBM50090696 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N1CCNCC1
BDBM50090701 Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1
BDBM50091111 Cc1ccccc1-n1cc2c(n1)c(N)nc1ccccc21
BDBM50091113 Clc1ccc2nc(NC3CCCCC3)c3nn(cc3c2c1)-c1ccccc1
BDBM50091114 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50090702 Cc1ccc2c(Oc3ccccc3)cc(nc2n1)-c1ccccc1
BDBM50090704 Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1
BDBM50090710 CCOC(=O)N1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50091118 Clc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50091119 O=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091120 Clc1ccc2[nH]c(=O)c3nn(cc3c2c1)-c1ccccc1
BDBM50091121 Cc1ccccc1-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50091122 Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
BDBM50091123 C1CCC(CC1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091124 Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50091125 O=C(NCc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091126 C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
BDBM50091127 CCCn1c2ccccc2c2cn(nc2c1=O)-c1ccccc1
BDBM50091128 COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50091129 C1CCC(C1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091130 Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50091131 Nc1nc2ccccc2c2cn(nc12)-c1cccc(F)c1
BDBM50091132 Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
BDBM50091133 Nc1nc2ccc(Cl)cc2c2cn(nc12)-c1ccccc1
BDBM50091134 Cn1c2ccccc2c2cn(nc2c1=O)-c1ccccc1
BDBM50091135 Nc1nc2ccccc2c2cn(nc12)-c1ccc(Cl)cc1
BDBM50091136 O=C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091137 Clc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50091139 Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50091141 Fc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50091142 Cc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50091143 C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091144 Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50090711 Oc1cc(nc2ncccc12)-c1ccccc1
BDBM50090683 Nc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090684 COc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090685 Cc1ccc2c(S)cc(nc2n1)-c1ccccc1
BDBM50090686 Cc1ccc2ccc(nc2n1)-c1ccccc1
BDBM50090689 Cc1ccc2c(Cl)cc(nc2n1)-c1ccccc1
BDBM50090690 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F
BDBM50090691 CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090692 CCn1c(cc(=O)c2ccc(C)nc12)-c1ccccc1
BDBM50090693 CN(C)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090695 Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1
BDBM50090697 Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
BDBM50090698 Cc1ccc2c(NN)cc(nc2n1)-c1ccccc1
BDBM50090699 Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1
BDBM50090700 Oc1cc(nc2nc(Br)ccc12)-c1ccccc1
BDBM50090703 COc1cc(nc2n(C)c(=O)ccc12)-c1ccccc1
BDBM50090705 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50091117 Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50090706 COc1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090707 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N=[N+]=[N-]
BDBM50090708 Cc1ccc2c(N)cc(nc2n1)-c1ccccc1
BDBM50090709 Oc1cc(nc2nc(F)ccc12)-c1ccccc1
BDBM50094592 Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1ccncc1
BDBM50100416 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(Cl)nc12
BDBM50100418 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50104330 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
BDBM50104331 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
BDBM50104332 CCCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
BDBM50104333 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC(C)(C)C
BDBM50104334 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
BDBM50104335 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
BDBM50104336 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1Nc1ccccc1
BDBM50104337 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
BDBM50104339 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
BDBM50104340 CCOCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC
BDBM50102288 Cn1c2ccccc2n2c1nnc(-c1ccco1)c2=O
BDBM50102289 Cn1c2ccccc2n2c1nnc(-c1ccsc1)c2=O
BDBM50102292 Cc1nnc2[nH]c3ccccc3n2c1=O
BDBM50102293 Cn1c2ccccc2n2c1nnc(-c1ccc(O)c(O)c1)c2=O
BDBM50102294 Cn1c2ccccc2n2c1nnc(-c1cccs1)c2=O
BDBM50102281 Oc1ccc(cc1)-c1nnc2n(Cc3ccccc3)c3ccccc3n2c1=O
BDBM50102282 O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
BDBM50102283 COc1ccc(cc1)-c1nnc2n(C)c3ccccc3n2c1=O
BDBM50102284 O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccccc1
BDBM50102285 Cn1c2ccccc2n2c1nnc(-c1ccc(O)cc1)c2=O
BDBM50102286 O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccco1
BDBM50102287 O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccco1
BDBM50102290 COc1ccc(cc1OC)-c1nnc2[nH]c3ccccc3n2c1=O
BDBM50102291 O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccsc1
BDBM50118810 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50118812 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50120447 Cc1cnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50120753 CC(=O)Nc1nc(nc2nc(C)cn12)-c1ccccc1
BDBM50120754 Cc1cn2c(NCC3CCCCC3)nc(nc2n1)-c1ccccc1
BDBM50120755 CCc1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1
BDBM50120756 CCC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
BDBM50120441 OCC[C@@H]1CCCCN1C(=O)C=CC1=CC=CN2N=C(CC12)c1ccccc1 |w:11.11,c:16,19,t:14|
BDBM50120442 CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NC1CC1
BDBM50120443 CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NCCc1ccccc1
BDBM50120444 COc1ccc(cc1)-c1nc(N)c2c(C)c(C)n(C(C)c3ccccc3)c2n1
BDBM50120445 CCOC(=O)c1cnc2n(C)ncc2c1NCCc1ccccc1
BDBM50120446 Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1F
BDBM50120757 Cc1cn2c(N)nc(nc2n1)-c1ccccc1
BDBM50120758 Cc1cn2c(NC3CCCC3)nc(nc2n1)-c1ccccc1
BDBM50120759 Cc1cn2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
BDBM50120760 Cc1cn2c(NC(=O)C3CCCCC3)nc(nc2n1)-c1ccccc1
BDBM50120761 Cc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
BDBM50120762 CC(=O)CNc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1
BDBM50120763 CCc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
BDBM50120764 O=C(Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50120765 CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
BDBM50120766 CC(=O)Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1
BDBM50120451 CN1CNc2c1ncnc2NC1CCCC1
BDBM50120452 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CCCCC1
BDBM50120453 CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NC1CCCCC1
BDBM50120448 CCCCNc1c(cnc2n(CC(Cl)COc3ccccc3)ncc12)C(=O)OCC
BDBM50120449 CCCSc1nc(SC(CC)C(N)=O)nc2n(cnc12)-c1ccccc1
BDBM50120450 CCOCCNc1c(cnc2n(CC(Cl)COc3ccccc3)ncc12)C(=O)OCC
BDBM50120767 CC(C)c1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
BDBM50120768 CC(C)c1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1
BDBM50120769 Cc1cn2c(NCc3ccccc3)nc(nc2n1)-c1ccccc1
BDBM50120770 Cc1cn2c(NC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)nc(nc2n1)-c1ccccc1 |THB:11:10:7:12.14.13,11:12:7:10.15.9|
BDBM50138533 CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
BDBM50144948 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 |r|
BDBM50147859 Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1
BDBM50147858 CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147860 Cc1ccc2c(N)ccnc2n1
BDBM50147861 CCOC(=O)CCN1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50147862 Cc1ccc2c(O)cc(Cc3ccccc3)nc2n1
BDBM50147863 CCOc1ccc2c(OCC)cc(nc2n1)-c1ccccc1
BDBM50147864 Cc1ccc2c(O)cc(nc2n1)-c1cccc(c1)[N+]([O-])=O
BDBM50147865 CCOc1ccc2c(n1)n(CC)c(cc2=O)-c1ccccc1
BDBM50147866 Cc1cc(O)c2ccc(N)nc2n1
BDBM50147867 CCCc1cc(O)c2ccc(N)nc2n1
BDBM50147868 CCOc1cc(nc2nc(Br)ccc12)-c1ccccc1
BDBM50147869 CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
BDBM50147870 Cc1ccc2c(O)ccnc2n1
BDBM50147871 Cc1ccc2c(O)cc(nc2n1)-c1cccc(N)c1
BDBM50147872 Cc1cc(O)c2ccc(=O)[nH]c2n1
BDBM50147873 Oc1cc(nc2nc(ccc12)N1CCCCC1)-c1ccccc1
BDBM50147874 Oc1cc(nc2nc(ccc12)N1CCNCC1)-c1ccccc1
BDBM50147875 Cc1ccc2c(O)cc(nc2n1)-c1ccc(N)cc1
BDBM50147876 CCOc1cc(nc2n(CC)c(=O)ccc12)-c1ccccc1
BDBM50147877 CCCc1cc(O)c2ccc(C)nc2n1
BDBM50147878 CSc1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50147879 NC(=O)Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147880 CCOC(=O)CCN1CCN(CC1)c1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147881 Oc1cc(nc2nc(ccc12)N1CCOCC1)-c1ccccc1
BDBM50149356 Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149358 Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
BDBM50149360 CC(=O)Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149362 CCOc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50149363 Nc1nc2c(N)cccc2n2c1nn(-c1ccc(O)cc1)c2=O
BDBM50149364 Nc1nc2c(cccc2n2c1nn(-c1ccc(O)cc1)c2=O)[N+]([O-])=O
BDBM50149365 Nc1nc2c(cccc2n2c1nn(-c1ccc(cc1)[N+]([O-])=O)c2=O)[N+]([O-])=O
BDBM50149366 Nc1nc2ccccc2n2c1nn(-c1ccc(O)cc1)c2=O
BDBM50149367 Nc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50149368 CCOc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149369 CN(C)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149371 [O-][N+](=O)c1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O
BDBM50149372 Nc1cccc2c1[nH]c(=O)c1nn(-c3ccc(O)cc3)c(=O)n21
BDBM50149373 Nc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50163004 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3c3ccccc3)nc(Cl)nc12
BDBM50163012 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(I)nc12
BDBM50163014 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12
BDBM50163017 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCO)nc(Cl)nc12
BDBM50163020 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50163025 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
BDBM50163027 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12
BDBM50163031 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc12
BDBM50162479 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50162487 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc23)[C@](C)(O)[C@@H]1O
BDBM50171764 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(N)cc1
BDBM50171765 CN1CCN(CC1)NC(=O)c1cnc2nc(C)ccc2c1O
BDBM50171766 Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
BDBM50171767 CC(C)CCNC(=O)c1cnc2nc(C)ccc2c1O
BDBM50171768 Oc1c(cnc2nc(NCc3ccccc3)ccc12)C(=O)NCc1ccccc1
BDBM50171769 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171770 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171771 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
BDBM50171772 Oc1c(cnc2nc(NCCc3ccccc3)ccc12)C(=O)NCc1ccccc1
BDBM50171773 Cc1ccc2c(N=[N+]=[N-])c(Cc3ccccc3)cnc2n1
BDBM50171774 Cc1ccc2c(O)c(CC(=O)NCc3ccccc3)cnc2n1
BDBM50171775 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(NC(=O)c2ccccc2)cc1
BDBM50171776 Oc1c(cnc2ncccc12)C(=O)NCc1ccccc1
BDBM50171777 Cc1ccc2c(O)c(cnc2n1)C(=O)NC1CCCCC1
BDBM50171778 Cc1ccc2c(Cl)c(Cc3ccccc3)cnc2n1
BDBM50171779 Oc1c(cnc2nc(Cl)ccc12)C(=O)NCc1ccccc1
BDBM50171780 OCCN(CCO)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171781 Oc1c(cnc2nc(Br)ccc12)C(=O)NCc1ccccc1
BDBM50171782 CN(C)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171783 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
BDBM50171784 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(cc1)[N+]([O-])=O
BDBM50171785 Cc1ccc2c(O)c(cnc2n1)C(=O)OCc1ccccc1
BDBM50171786 CC(=O)Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171787 Oc1c(cnc2nc(NC3CCCCC3)ccc12)C(=O)NCc1ccccc1
BDBM50171788 Oc1c(cnc2[nH]c(=O)ccc12)C(=O)NCc1ccccc1
BDBM50171749 Cc1ccc2c(S)c(Cc3ccccc3)cnc2n1
BDBM50171751 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1
BDBM50171752 CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
BDBM50171753 Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1
BDBM50171754 CC1CCC(CC1)NC(=O)c1cnc2nc(C)ccc2c1O |(7.36,-8.29,;7.36,-6.75,;6.03,-5.98,;6.03,-4.43,;7.36,-3.66,;8.69,-4.43,;8.69,-5.98,;7.35,-2.12,;6.02,-1.36,;6,.18,;4.67,-2.15,;4.7,-3.69,;3.37,-4.46,;2.03,-3.69,;.68,-4.48,;-.65,-3.71,;-1.98,-4.48,;-.65,-2.17,;.68,-1.38,;2.03,-2.15,;3.34,-1.38,;3.34,.16,)|
BDBM50171755 CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1
BDBM50171756 Cc1ccc2c(O)c(CC(=O)NC3CCCCC3)cnc2n1
BDBM50171757 Cc1ccc2c(NC3CCCCC3)c(Cc3ccccc3)cnc2n1
BDBM50171758 Cc1ccc2c(O)c(Cc3ccccc3)cnc2n1
BDBM50171759 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1
BDBM50171760 Cc1ccc2c(O)c(Cc3ccccc3Cl)cnc2n1
BDBM50171761 Cc1ccc2c(O)c(cnc2n1)C(=O)NN1CCOCC1
BDBM50171762 Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1
BDBM50171763 COc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
BDBM50176815 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1
BDBM50176816 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
BDBM50176817 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
BDBM50176818 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCCC
BDBM50176819 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
BDBM50176820 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC1CC1
BDBM50176821 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
BDBM50176822 COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
BDBM50176823 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
BDBM50176824 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
BDBM50176825 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
BDBM50176826 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
BDBM50176827 CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
BDBM50176828 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(F)c1
BDBM50176829 CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
BDBM50176830 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
BDBM50176831 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
BDBM50176832 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
BDBM50176833 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
BDBM50176834 ClC(Cn1ncc2c(NCCc3ccccc3)c(cnc12)C(=O)OCC1CC1)c1ccccc1
BDBM50176835 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
BDBM50176836 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC
BDBM50176837 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
BDBM50176838 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
BDBM50176839 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1Cl
BDBM50176840 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
BDBM50176841 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(Cl)c1
BDBM50176842 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F
BDBM50176843 CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
BDBM50176844 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)C
BDBM50176845 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(Cl)c1
BDBM50176846 CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCC
BDBM50176847 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1Cl
BDBM50176848 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
BDBM50176849 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
BDBM50176850 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)CC
BDBM50176851 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
BDBM50176852 Cc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OCC2CC2)cc1
BDBM50176853 CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
BDBM50176854 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
BDBM50176855 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
BDBM50178629 CCOC(=O)c1nc2c(N)nc3ccc(Cl)cc3n2n1
BDBM50178630 O=C(OCc1ccccc1)c1nc2n(n1)c1ccccc1[nH]c2=O
BDBM50178631 O=C(NCc1ccccc1)c1nc2n(n1)c1ccccc1[nH]c2=O
BDBM50178632 COc1ccc(cc1)-c1nc2c(N)nc3ccc(Cl)cc3n2n1
BDBM50178633 CCOC(=O)c1nc2n(n1)c1cc(NC(C)=O)ccc1[nH]c2=O
BDBM50178634 COc1ccc(cc1)-c1nc2n(n1)c1cc(C)ccc1[nH]c2=O
BDBM50178635 Cc1ccc2n(C)c(=O)c3nc(nn3c2c1)-c1ccccc1
BDBM50178636 O=c1[nH]c2ccccc2n2nc(nc12)-c1ccccc1
BDBM50178638 Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1
BDBM50178639 Cc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccccc1
BDBM50178641 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccccc1
BDBM50178642 Cn1c2ccccc2n2nc(nc2c1=O)-c1ccccc1
BDBM50181876 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1
BDBM50189802 Nc1cccc2c1nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50189803 COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(N)cccc3n2c1=O
BDBM50189805 COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3n2c1=O
BDBM50189806 [O-][N+](=O)c1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50189807 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
BDBM50189808 COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3ccccc3n2c1=O
BDBM50189809 CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
BDBM50189810 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1
BDBM50189811 COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O
BDBM50189812 COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM50189814 COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
BDBM50189815 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(N)cccc3n2c1=O
BDBM50189817 Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50189818 O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50189819 Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50189820 CC(=O)Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
BDBM50196019 CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50196020 FC(F)(F)c1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
BDBM50196021 CCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50196022 C(c1ccccc1)n1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
BDBM50196023 CCCCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50196024 CCCCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50196025 CCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50196026 CNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
BDBM50196027 CCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50196028 OCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50196029 OCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50196030 FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
BDBM50195990 CCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50195991 OCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
BDBM50195992 C(c1ccccc1)n1nnc2c(NC3CCC3)nc(nc12)-c1ccccc1
BDBM50195993 Clc1ccccc1Cn1nnc2c(NC3CCC3)nc(nc12)-c1ccccc1
BDBM50195994 C(c1ccccc1)n1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
BDBM50195995 CC(O)CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50195996 OCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50195997 Clc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
BDBM50195998 Fc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
BDBM50195999 CC(O)CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50196000 OCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50196001 CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50196002 Fc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
BDBM50196003 Fc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
BDBM50196004 CCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50196005 OCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50196006 Clc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
BDBM50196007 OCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50196008 CCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50196009 C(c1ccccc1)n1nnc2c(NC3CCCCC3)cc(nc12)-c1ccccc1
BDBM50196010 CCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50196011 Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
BDBM50196012 CCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50196013 CC(O)CNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50196014 FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
BDBM50196015 CCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1
BDBM50196016 CCCCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50196017 CNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50196018 CCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50207816 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50218911 COc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218914 Cc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218920 Cc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218922 O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1
BDBM50224759 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224760 CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224761 C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224762 CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
BDBM50224763 CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224764 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224765 CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224767 C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50224768 C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50224769 CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224770 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50224771 C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224772 CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224773 CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224774 CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
BDBM50224775 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
BDBM50224776 CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224777 CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224778 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50224779 C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50224780 C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50224781 C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
BDBM50224782 C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224783 C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50224784 C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50224785 C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
BDBM50224786 C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224787 CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
BDBM50224788 CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
BDBM50257072 O=C(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
BDBM50257074 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O
BDBM50257075 O=C(N(C(=O)c1ccccc1)c1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50256924 O=c1n(nc2n1c1cccnc1[nH]c2=O)-c1ccccc1
BDBM50256926 Fc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O
BDBM50256971 Oc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O
BDBM50256972 Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
BDBM50256973 COc1ccc(cc1)-n1nc2c(N)nc3ncccc3n2c1=O
BDBM50256974 Nc1nc2ncccc2n2c1nn(-c1ccc(F)cc1)c2=O
BDBM50257024 Nc1nc2ncccc2n2c1nn(-c1ccc(O)cc1)c2=O
BDBM50257025 O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1
BDBM50257026 O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1
BDBM50257027 CC(=O)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
BDBM50257028 O=C(Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50242664 COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50267574 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50271496 CS(=O)(=O)Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
BDBM50271497 CS(=O)(=O)N(c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)S(C)(=O)=O
BDBM50271578 Ic1cccc(NC(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)c1
BDBM50271579 O=c1n(nc2c(OCc3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50271449 O=c1n(nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50272032 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccncc3)nc3ccccc3n2c1=O
BDBM50271304 COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50271450 COc1ccc(cc1)-n1nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n2c1=O
BDBM50271451 [O-][N+](=O)c1cccc2c1nc(NS(=O)(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50272033 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccncc1
BDBM50271306 Ic1cccc(c1)C(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50271452 CS(=O)(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50271536 O=C(NCc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50271537 COc1ccc(cc1)-n1nc2c(NC(=O)NCc3ccccc3)nc3ccccc3n2c1=O
BDBM50271538 [O-][N+](=O)c1cccc2c1nc(NC(=O)NCc1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50271539 O=C(NC(=O)c1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50287703 OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
BDBM50287704 CCC1CCCCN1C(=O)\C=C\c1c(nc2sc(C)nn12)-c1ccccc1
BDBM50364062 COc1cc(OC)cc(c1)[C@@H](CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C |r|
BDBM50366924 O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50377684 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#C[Si](C)(C)C
BDBM50377685 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(O)=O)nc(Cl)nc12
BDBM50377686 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(O)=O
BDBM50377676 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)NCCN
BDBM50377677 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)OC
BDBM50377678 CCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2n1
BDBM50377679 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#C
BDBM50377680 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(I)nc12
BDBM50377681 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(=O)NCCNC(C)=O)nc(Cl)nc12
BDBM50377682 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(=O)NCCN)nc(Cl)nc12
BDBM50377683 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NOC)nc(Cl)nc12
BDBM50367861 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12 |r|
BDBM50368236 C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r|
BDBM50368237 C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r|
BDBM50368242 Nc1nc(OCCC2CCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50368243 CCCCCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368244 CCCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368245 CCC(CC)COc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368246 CC(C)CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368247 CC(C)COc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368248 Nc1nc(OC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50368249 CCC(C)Oc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368250 Nc1nc(OCCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50368251 Nc1nc(OCCO)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50368253 CC1(C)C2CC1C(CC2)C(=O)CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368254 CCCCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368255 CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368256 CC#CCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368258 Nc1nc(OCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50368259 Nc1nc(OCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50368260 CCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368261 Nc1nc(OCCC(=O)[C@H]2CC3CCC2C3)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r,THB:7:9:15:13.12|
BDBM50368262 CCC(CC)CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368263 CC(C)CCCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50368264 Nc1nc(OCCCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50368265 CC(C)Oc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50369352 C[C@@]1(O)[C@H](O)[C@@H](CO)OC1n1cnc2c(N)nc(Cl)nc12 |r|
BDBM50369353 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@@]1(C)O |r|
BDBM50368463 Nc1nc(N=NCc2cccc3ccccc23)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368464 Nc1nc(N=NCc2cccs2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368465 COc1cccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |r,w:8.7|
BDBM50368466 Nc1nc(N=NCc2ccc(F)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368467 CC(C)(C)OC(=O)CCc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:14.13|
BDBM50368468 Cc1cccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |r,w:7.6|
BDBM50368469 Nc1nc(N=NCc2ccccc2Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368470 Nc1nc(N=NCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368471 CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccc(F)cc1 |r,w:2.1|
BDBM50368472 Nc1nc(N=NCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368473 Nc1nc(N=NCc2cc(Br)cs2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368474 COc1ccccc1CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:9.9|
BDBM50368475 Nc1nc(N=NCc2ccc(Cl)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368476 Nc1nc(N=NCc2ccccc2F)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368477 Nc1nc(N=NCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368478 NNc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368479 Nc1nc(N=NCc2ccccn2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368480 CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1cccs1 |r,w:2.1|
BDBM50368481 Nc1nc(N=NCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368482 Nc1nc(N=NCc2cccnc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368483 Nc1nc(N=NCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368484 CC(C)(C)OC(=O)CCc1ccc(CCNc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
BDBM50368485 CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1 |r,w:2.1|
BDBM50368486 Cc1ccccc1CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:8.8|
BDBM50368487 Nc1nc(N=NCc2cccc(F)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368488 COc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:7.6|
BDBM50368489 Cc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:6.5|
BDBM50368490 Nc1nc(N=NCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368491 Nc1nc(N=NCc2ccsc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368492 Nc1nc(N=NCc2ccncc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50368543 Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r|
BDBM50370620 C[C@@]1(O)[C@@H](CO)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50367678 CC(C)N(c1ccccc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368572 CC1(CCCCC1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368574 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368575 CC(C)(C)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368576 CCCC(CCC)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368577 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12 |r|
BDBM50368578 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)ncnc12 |r|
BDBM50368579 CCC(C)(C)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368580 CC(C)(C)CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368581 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)ncnc12 |r,THB:20:21:16:19.24.18,20:19:16:21.23.22|
BDBM50389126 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(N)cc1 |r|
BDBM50408410 C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50408698 C[C@H](Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12 |r|
BDBM50408699 C[C@H](Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3)nnc12 |r|
BDBM50406498 Nc1nc(Oc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406499 COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r|
BDBM50406501 Nc1nc(OCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406502 Nc1nc(OCCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406503 Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406504 Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406505 Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406506 Cc1ccccc1CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50406507 Nc1nc(OCCc2cccc3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406508 COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1OC |r|
BDBM50406509 Nc1nc(OCCc2cccs2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406510 Nc1nc(OCCc2ccccc2F)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406511 Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 |r|
BDBM50406512 Nc1nc(OCCc2ccccc2Cl)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406513 COc1ccccc1CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50406514 Nc1nc(OCCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406516 COc1cc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc(OC)c1OC |r|
BDBM50406517 Nc1nc(OCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406518 COc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 |r|
BDBM50406519 Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406520 Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50406521 Nc1nc(OCCc2ccsc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50408411 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O |r|
BDBM50408412 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r|
BDBM50406700 CCCCCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50410283 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O |r|
BDBM50410284 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50410285 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50410286 C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50410287 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)nc(NC)nc12 |r|
BDBM50410288 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50410289 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM50410290 C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50412194 COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
BDBM50412195 COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1
BDBM50412196 OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 |(.4,-38.89,;-.93,-39.67,;-.94,-41.21,;-2.26,-41.98,;-3.6,-41.22,;-3.61,-39.67,;-2.27,-38.9,;-4.93,-41.99,;-4.92,-43.53,;-6.25,-44.3,;-6.25,-45.85,;-4.92,-46.62,;-3.58,-45.85,;-2.11,-46.32,;-1.63,-47.79,;-2.66,-48.93,;-4.16,-48.61,;-5.19,-49.75,;-4.71,-51.22,;-3.2,-51.53,;-2.18,-50.39,;-.67,-50.7,;-1.19,-45.07,;-2.11,-43.81,;-3.58,-44.29,;-7.58,-46.61,;-8.91,-45.84,;-10.25,-46.6,;-10.25,-48.14,;-8.91,-48.92,;-7.58,-48.14,)|
BDBM50412197 OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 |(.47,-38.63,;-.87,-39.41,;-.87,-40.95,;-2.19,-41.72,;-3.53,-40.96,;-3.54,-39.41,;-2.2,-38.64,;-4.86,-41.73,;-4.86,-43.27,;-6.18,-44.04,;-6.18,-45.59,;-4.85,-46.36,;-3.51,-45.59,;-2.04,-46.07,;-1.56,-47.53,;-2.59,-48.67,;-4.09,-48.35,;-5.12,-49.49,;-4.65,-50.96,;-3.13,-51.27,;-2.11,-50.13,;-.6,-50.44,;-1.13,-44.81,;-2.04,-43.55,;-3.51,-44.03,;-7.51,-46.35,;-8.84,-45.58,;-10.18,-46.34,;-10.18,-47.88,;-8.84,-48.66,;-7.51,-47.88,)|
BDBM50412198 OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 |(.62,-38.83,;-.71,-39.6,;-.71,-41.14,;-2.04,-41.91,;-3.38,-41.15,;-3.39,-39.61,;-2.05,-38.84,;-4.71,-41.93,;-4.7,-43.47,;-6.02,-44.24,;-6.03,-45.78,;-4.7,-46.55,;-3.36,-45.78,;-1.88,-46.26,;-1.41,-47.73,;-2.44,-48.87,;-3.94,-48.55,;-4.97,-49.69,;-4.49,-51.15,;-2.98,-51.47,;-1.95,-50.32,;-.97,-45.01,;-1.88,-43.75,;-3.36,-44.23,;-7.36,-46.55,;-8.69,-45.77,;-10.02,-46.54,;-10.03,-48.08,;-8.68,-48.85,;-7.36,-48.08,)|
BDBM50412199 C(c1ccccc1)n1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
BDBM50412200 O[C@H]1CCCC[C@@H]1Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 |r|
BDBM50420417 CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
BDBM50420426 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)-c1ccccc1 |r|
BDBM50421886 Nc1nc(OC2CCCC2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50421887 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12 |r|
BDBM50421888 COc1nc(N)c2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
BDBM50421889 Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
BDBM50421890 Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM50421971 CC1(C)C2CC1C(CN=Nc1nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n1)=CC2 |r,w:8.8,c:32|
BDBM50421972 CCCC(C)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
BDBM50421973 CC(C)(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
BDBM50421974 CCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:2.1|
BDBM50421975 Nc1nc(N=NCC2CCC=CC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,c:10|
BDBM50421976 Nc1nc(N=NCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7|
BDBM50421977 CCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:3.2|
BDBM50421978 CCC(CC)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:6.5|
BDBM50421979 CCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
BDBM50421980 CC(C)CCN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
BDBM50421981 CC(C)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:3.2|
BDBM50421982 Nc1nc(N=NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50421983 Nc1nc(N=NCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50421984 CC(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
BDBM50421985 CCCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
BDBM50421986 Nc1nc(N=NCC2=CC3CCC2C3)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7,TLB:6:7:13:11.10|
BDBM50421987 CCC(CC)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
BDBM50421997 CC[C@H](C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50421998 CC[C@@H](C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50438371 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(C6C7C=CC(=O)C=C7Oc7cc(O)ccc67)c(c5)C(O)=O)cc4)cc3)ncnc12 |r,c:44,48|
BDBM50437188 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)S(O)(=O)=O |r|
BDBM50438368 CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=O)NCC(=O)NCC(=O)NCC(=S)c2ccc(C3C4C=CC(=O)C=C4Oc4cc(O)ccc34)c(c2)C(O)=O)cc1 |c:51,55|
BDBM50438369 CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(C3C4C=CC(=O)C=C4Oc4cc(O)ccc34)c(c2)C(O)=O)cc1 |c:40,44|
BDBM50438370 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNc5ccc([N+]([O-])=O)c6nonc56)cc4)cc3)ncnc12 |r|
BDBM50448930 CCCN(C(=O)N[C@@H](CSCC(C)C)C(O)=O)C(=O)c1cccc(c1)C#Cc1ccc(F)cc1F |r|
BDBM50138530 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50230152 Nc1nc(N\N=C\C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|