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1095 SMILES Strings for Adenosine A2 receptor

Compound NameSMILES String
BDBM50455634 CCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455635 C[Si](C)(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455636 CCCCOCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455633 CCCCCCCCOCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455637 CCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455639 CCOCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455638 COCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50267577 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
BDBM50455640 CCCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455605 CCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCC |r|
BDBM50455607 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2n1 |r|
BDBM50455608 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50455606 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c2n1 |r|
BDBM50455624 CCCOc1nc(N[C@@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
BDBM50455625 CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 |r|
BDBM50455626 CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
BDBM50455641 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCO |r|
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|
BDBM50368546 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)ncnc12 |r|
BDBM50449566 Cc1[nH]cnc1CCC(=O)N1CC(C)(C)c2ccccc12
BDBM50455768 [Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)S([O-])(=O)=O)ncnc12 |r|
BDBM50455769 [Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCS([O-])(=O)=O)ncnc12 |r|
BDBM50455771 [Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccc(cc3)S([O-])(=O)=O)ncnc12 |r|
BDBM50455772 N.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12 |r|
BDBM50449718 C[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM10847 Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM14361 COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
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
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
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
BDBM50228560 CCc1nnc2c(nc3ccccc3n12)N(C)C
BDBM42467 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
BDBM82015 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
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
BDBM82042 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
BDBM82020 Cn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM82021 CCn1c2nc[nH]c2c(=O)n(CC)c1=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
BDBM82522 Cn1cnc2[nH]c(=O)[nH]c(=O)c12
BDBM82558 CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM82012 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
BDBM82013 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
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
BDBM82010 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
BDBM50452520 COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C |r|
BDBM50452201 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r|
BDBM50452202 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12 |r|
BDBM50452270 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
BDBM50452271 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50452574 [H][C@]12CC[C@]([H])(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50452575 [H][C@]12CCC(C1)[C@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50452573 [H][C@]12CCC(C1)[C@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:9:6:5:3.2|
BDBM50452576 [H][C@@]12CC[C@@]([H])(C1)[C@@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:10:7:6:3.2|
BDBM50452336 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r|
BDBM50452314 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)Cc3ccccc3)ncnc12 |r|
BDBM50452315 CC[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
BDBM50452320 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
BDBM50452317 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12 |r|
BDBM50452321 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC)Cc3ccccc3)ncnc12 |r|
BDBM50452337 CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
BDBM50452318 CC[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
BDBM50452316 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
BDBM50452322 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r|
BDBM50452335 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12 |r|
BDBM50452519 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12 |r|
BDBM50367846 [H][C@]12CCC(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:8:6:5:3.2|
BDBM50367844 [H][C@@]12CC[C@@]([H])(C1)[C@@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |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
BDBM50009546 COc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
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
BDBM50001493 CCCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50001496 CCCn1c2ncn(CC)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
BDBM50001509 CCCn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM50001513 CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
BDBM50001514 CCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50001515 Cn1c2nc[nH]c2c(=O)[nH]c1=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|
BDBM50004710 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@@H](N12)c1ccccc1 |t:4,19|
BDBM50004711 CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
BDBM50004713 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004714 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004715 CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
BDBM50004716 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1 |t:4,19|
BDBM50004721 CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004722 CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
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
BDBM50007848 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
BDBM50008245 CCCCCCC#Cc1nc(N)c2[nH]cnc2n1
BDBM50008416 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
BDBM50008421 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.42,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
BDBM50229184 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r|
BDBM50229185 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCc4ccccc34)ncnc12 |r|
BDBM50008874 Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
BDBM50007833 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(C1)NC(C)=O
BDBM50007834 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCC1
BDBM50007835 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
BDBM50007836 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
BDBM50007837 CCCn1c2nc(NC3CCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50007838 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
BDBM50007839 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
BDBM50007840 CCCn1c2nc(CC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50007841 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCCC1
BDBM50007842 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
BDBM50007843 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)|
BDBM50007844 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
BDBM50007846 CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |(21.57,-12.45,;20.04,-12.45,;19.27,-11.12,;17.74,-11.12,;16.97,-9.79,;17.74,-8.46,;15.43,-9.79,;14.67,-11.12,;13.13,-11.12,;12.37,-9.79,;13.13,-8.46,;14.67,-8.46,;10.83,-9.79,;9.84,-11.18,;8.22,-10.65,;6.74,-11.49,;6.74,-13.19,;5.29,-14.04,;5.29,-15.74,;5.28,-10.65,;3.77,-11.53,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;6.74,-8.08,;6.74,-6.38,;8.22,-8.94,;9.84,-8.41,)|
BDBM50007847 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)OC |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-11.71,;10.42,-11.71,;11.13,-10.5,;10.42,-9.29,;9.02,-9.29,;12.23,-10.48,;12.7,-9.22,;12.9,-11.18,;14.31,-11.14,)|
BDBM50008387 C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
BDBM50007849 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(N)C1
BDBM50007850 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
BDBM50007851 CCCn1c2nc(NC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50007852 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1=C(CCC1)C(O)=O |t:19|
BDBM50007853 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1C
BDBM50007854 CCCn1c2nc(NC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
BDBM50007855 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)|
BDBM50007856 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC1C(O)=O
BDBM50008400 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2cccc(c2)N=C=S)cc1
BDBM50008405 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50008407 Oc1cccc(c1)C1=CSC2=Nc3ccccc3CN12 |t:8,11|
BDBM50008413 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H](C)Cc1ccccc1
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
BDBM50009509 Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009521 Nc1nc(NCC(c2ccccc2)c2ccccc2)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|
BDBM50009536 Nc1nc(NCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009550 Nc1nc(NCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009682 N(c1ccccc1)c1ncnc2n(cnc12)-c1ccccc1
BDBM50009679 Cn1cnc2c(Nc3ccccc3)nc(Cl)nc12
BDBM50009680 Nc1ncnc2n(cnc12)C1CCCC1
BDBM50009681 CCn1cnc2c(N)ncnc12
BDBM50229186 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r|
BDBM50009683 Cn1cnc2c(NC3CCCCC3)ncnc12
BDBM50009684 CCn1cnc2c(NC3CCCC3)ncnc12
BDBM50009685 Cn1cnc2c(N)ncnc12
BDBM50009686 Cn1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50009687 Nc1ncnc2n(cnc12)C1CCCO1
BDBM50009688 CC[C@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
BDBM50009689 Nc1ncnc2n(cnc12)-c1ccccc1
BDBM50009690 CCn1cnc2c(NC3CCCCC3)ncnc12
BDBM50009691 OCCn1cnc2c(NC3CCCC3)ncnc12
BDBM50009693 C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCO1
BDBM50009695 CC[C@@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
BDBM50009696 C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCC1
BDBM50009697 Nc1ncnc2n(CCO)cnc12
BDBM50009698 Cn1cnc2c(NC3CCCC3)ncnc12
BDBM50009699 C1CCC(C1)Nc1ncnc2n(cnc12)-c1ccccc1
BDBM50009700 CC[C@@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
BDBM50009701 CC[C@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
BDBM50009702 Cn1cnc2c(N)nc(Cl)nc12
BDBM50009703 Cn1cnc2c(Nc3ccccc3)ncnc12
BDBM50009705 CCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
BDBM50009706 CCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
BDBM50009707 CCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
BDBM50009708 CCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
BDBM50009709 CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
BDBM50009710 CCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
BDBM50368159 C[C@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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
BDBM50011600 C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
BDBM50011597 Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
BDBM50011598 N(c1ccccc1)c1nc2ccccc2c2nc[nH]c12
BDBM50011599 C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12
BDBM50011830 CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:8.8|
BDBM50011831 CCCn1c(=O)n(C)c2nc(CCc3ccccc3)[nH]c2c1=O
BDBM50011833 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C#N
BDBM50011834 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1
BDBM50011835 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50011836 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
BDBM50011837 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccnc1
BDBM50011838 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(O)cc1
BDBM50011839 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50011215 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)N
BDBM50011840 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50011841 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccncc1
BDBM50011842 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
BDBM50011843 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccsc1
BDBM50011844 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C#N
BDBM50011845 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)C#N
BDBM50011846 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
BDBM50011847 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccncc1
BDBM50011848 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccs1
BDBM50011849 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1
BDBM50011850 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccnc1
BDBM50011823 CCCn1c(=O)n(C)c2nc(C=Cc3ccccc3)[nH]c2c1=O |w:12.12|
BDBM50011825 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccsc1
BDBM50011827 CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(C)c1=O
BDBM50011824 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
BDBM50011593 Nc1nc2ccccc2c2nc[nH]c12
BDBM50011595 Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
BDBM50011828 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
BDBM50011829 CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccncc1
BDBM50014284 Cc1c(C)c2c(N)ncnc2n1Cc1ccc(Br)cc1
BDBM50014285 Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
BDBM50014286 O=c1[nH]cnc2n(c3CCCCc3c12)-c1ccccc1
BDBM50014287 Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1
BDBM50014288 CSc1nc(SC)c2c3CCCCc3n(-c3ccccc3)c2n1
BDBM50014289 Nc1ncnc2n(c3CCCCc3c12)-c1ccccc1
BDBM50014290 CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
BDBM50014291 Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1Cl
BDBM50014528 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50014292 Clc1ncnc2n(-c3ccccc3)c3ccccc3c12
BDBM50014294 CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
BDBM50014249 CCCN1CC(=O)N(CCC)c2ncn(Cc3ccccc3)c2C1=O
BDBM50014250 CCCN1c2ncn(Cc3ccccc3)c2C(=O)NCC1=O
BDBM50014295 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
BDBM50014296 Nc1ncnc2n(c(C=O)c(C=O)c12)-c1ccccc1
BDBM50014251 Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
BDBM50014252 CCN1CC(=O)N(CC)c2ncn(C)c2C1=O
BDBM50014253 CCN1CC(=O)N(CC)c2nc[nH]c2C1=O
BDBM50014254 CC(C)CN1c2ncn(Cc3ccccc3)c2C(=O)N(C)CC1=O
BDBM50014255 CC(C)Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
BDBM50014256 CCN1CC(=O)N(CC)c2ncn(Cc3ccccc3)c2C1=O
BDBM50014297 O=c1[nH]cnc2n(-c3ccccc3)c3ccccc3c12
BDBM50014298 Nc1ncnc2n(c(C(O)=O)c(C(O)=O)c12)-c1ccccc1
BDBM50014258 CN1CC(=O)N(C)c2nc[nH]c2C1=O
BDBM50014259 CC(C)CN1c2nc[nH]c2C(=O)N(C)CC1=O
BDBM50014260 Cn1cnc2n(C)c(=O)[nH]c(=O)c12
BDBM50014261 CCCN1CC(=O)N(CCC)c2ncn(C)c2C1=O
BDBM50014262 CCCn1c2ncn(Cc3ccccc3)c2c(=O)n(CCC)c1=O
BDBM50015652 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
BDBM50007845 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.43,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
BDBM50015649 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)OC)cc3)nc12
BDBM50014263 CCCN1c2nc[nH]c2C(=O)NCC1=O
BDBM50014264 CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O
BDBM50014265 Cc1c(C)c2c(N)ncnc2n1-c1ccccc1
BDBM50014266 NNc1ncnc2n(-c3ccccc3)c3ccccc3c12
BDBM50014267 Nc1ncnc2n(ccc12)-c1ccccc1
BDBM50014268 Cc1[nH]c2nc(nc(N)c2c1C)-c1ccc(Cl)cc1
BDBM50014269 CS(=O)(=O)c1nc(c2c3CCCCc3n(-c3ccccc3)c2n1)S(C)(=O)=O
BDBM50014270 Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccc(Cl)cc1
BDBM50014271 CCCCCCn1c(C)c(C)c2c(N)ncnc12
BDBM50014273 C1CCC(CC1)Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
BDBM50014274 Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1
BDBM50014275 Cc1c(C)c2c(N)ncnc2n1CC=C
BDBM50014276 S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1
BDBM50014277 Cc1[nH]c2ncnc(N)c2c1C
BDBM50014278 Cc1c(C)c2c(N)nc(C)nc2n1-c1ccccc1
BDBM50014279 Cc1[nH]c2nc[nH]c(=O)c2c1C
BDBM50014280 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
BDBM50014282 Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1Cl
BDBM50014281 Cc1[nH]c2nc(nc(N)c2c1C)-c1cccc(Cl)c1
BDBM50014283 Cc1[nH]c2nc(C)nc(N)c2c1C
BDBM50018167 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCCC1
BDBM50018168 CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O
BDBM50018169 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)S(O)(=O)=O
BDBM50018413 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccoc1
BDBM50018170 CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50018171 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
BDBM50018172 CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccccc1
BDBM50018429 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc1
BDBM50018430 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC)cc1
BDBM50018397 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccccc1
BDBM50018398 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
BDBM50018432 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2cccs2)cc1
BDBM50018433 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
BDBM50018418 Cn1c2nc([nH]c2c(=S)n(C)c1=O)C1CCCC1
BDBM50017998 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)S([O-])(=O)=O)cc1
BDBM50018002 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
BDBM50018009 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNS(=O)(=O)c2cccc(c2)S(Cl)(=O)=O)cc1
BDBM50018010 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNCCSSC(=O)CCC(=O)ON2C(=O)CCC2=O)cc1
BDBM50018421 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccco1
BDBM50018424 Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1cccs1
BDBM50018436 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc1
BDBM50018402 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1cccs1
BDBM50018403 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccco1
BDBM50018404 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
BDBM50018406 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1
BDBM50018408 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN(C)C)cc1
BDBM50018438 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)OCC)cc1
BDBM50018427 Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1ccccc1
BDBM50018410 CCCn1c2nc([nH]c2c(=S)n(CCC)c1=S)C1CCCC1
BDBM50018411 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(I)s2)cc1
BDBM50018412 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
BDBM50018431 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
BDBM50018414 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc([Hg]OC(C)=O)s2)cc1
BDBM50018415 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN)cc1
BDBM50018416 CCn1c2nc([nH]c2c(=S)n(CC)c1=O)-c1ccccc1
BDBM50018417 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(O)=O)cc1
BDBM50018434 Cn1c2nc([nH]c2c(=S)n(C)c1=O)-c1ccccc1
BDBM50018151 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
BDBM50018435 Cn1c2nc([nH]c2c(=O)n(C)c1=S)C1CCCC1
BDBM50018152 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50018153 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccc(cc1)C(O)=O
BDBM50018154 CC(C)CCn1c(=O)n(CC(C)C)c2nc[nH]c2c1=O
BDBM50018419 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
BDBM50018420 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C1CCCC1
BDBM50018155 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccccc1
BDBM50018156 CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50018157 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50018423 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)NCc2cccs2)cc1
BDBM50018158 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCC1
BDBM50018159 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
BDBM50018160 CCCn1c2nc(-c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50018425 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC)cc1
BDBM50018426 CCCn1c2nc([nH]c2c(=S)n(CCC)c1=O)C1CCCC1
BDBM50018399 Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1ccco1
BDBM50018161 COC(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50018162 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50018163 CCCn1c2nc(-c3ccc(cc3)C(O)=O)n(C)c2c(=O)n(CCC)c1=O
BDBM50018164 CCCn1c2nc(-c3ccc(cc3)C(=O)OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50018165 CCCn1c2nc(-c3ccc(cc3)S(O)(=O)=O)n(C)c2c(=O)n(CCC)c1=O
BDBM50018166 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(O)=O
BDBM50018428 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
BDBM50018409 Cn1c2nc([nH]c2c(=S)n(C)c1=S)C1CCCC1
BDBM50017980 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=S)Nc2ccc(cc2)N=C=S)cc1
BDBM50017981 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
BDBM50017990 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(NC(=S)Nc3ccc(cc3)N=C=S)cc2)cc1
BDBM50017991 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1
BDBM50015817 CC(C)Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
BDBM50015657 Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50015648 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(F)cc3)nc12
BDBM50015651 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N(C)CCc1ccccc1
BDBM50015658 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCc3ccccc3)nc12
BDBM50015654 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CC(O)=O)cc3)nc12
BDBM50015746 CCc1nnc2c(N)nc3cc(F)ccc3n12
BDBM50015821 CCNc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
BDBM50015748 Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
BDBM50015749 CCc1nnc2c(NC(C)C)nc3ccccc3n12
BDBM50015750 CCc1nnc2c(NC(C)C)nc3cc(F)ccc3n12
BDBM50015751 CCc1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12
BDBM50015829 Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccc(Cl)cc1
BDBM50015831 CCc1nnc2c(NC(C)C)nc3cc(Cl)c(Cl)cc3n12
BDBM50015758 Nc1nc2cc(F)ccc2n2cnnc12
BDBM50015761 CCNc1nc2ccccc2n2cnnc12
BDBM50015764 CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
BDBM50015765 CCc1nnc2c(N)nc3ccc(Cl)cc3n12
BDBM50015766 CCNc1nc2ccc(OC)cc2n2c(CC)nnc12
BDBM50015767 CC(C)Nc1nc2ccccc2n2cnnc12
BDBM50015769 Nc1nc2ccc(F)cc2n2cnnc12
BDBM50015770 Fc1ccc2nc(NC3CCCCC3)c3nnc(n3c2c1)C(F)(F)F
BDBM50015771 CCc1nnc2c(N)nc3ccccc3n12
BDBM50015772 CCNc1nc2cc(F)ccc2n2cnnc12
BDBM50015773 CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
BDBM50015781 CCc1nnc2c(NC(C)C)nc3cc(F)c(F)cc3n12
BDBM50015787 CCc1nnc2c(Nc3ccccc3)nc3ccc(Cl)cc3n12
BDBM50015788 COc1ccc2c(c1)nc(N)c1nncn21
BDBM50015790 Nc1nc2ccc(F)cc2n2c1n[nH]c2=O
BDBM50015792 CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3ccc(Cl)cc3n12
BDBM50015794 CCc1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12
BDBM50015796 CCN(CC)c1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
BDBM50015650 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(OCC(O)=O)cc3)nc12
BDBM50015655 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Cl)cc3)nc12
BDBM50015797 CC(C)Nc1nc2ccccc2n2c(nnc12)C(F)(F)F
BDBM50015801 CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)C(F)(F)F
BDBM50015803 FC(F)(F)c1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12
BDBM50015809 CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3c(Cl)cccc3n12
BDBM50015810 CCc1nnc2c(N)nc3cc(Cl)ccc3n12
BDBM50015830 CC(C)Nc1nc2ccc(F)cc2n2c1n[nH]c2=O
BDBM50015752 CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12
BDBM50015754 CC(C)Nc1nc2ccc(F)cc2n2cnnc12
BDBM50015775 CCc1nnc2c(NC(C)C)nc3c(Cl)cccc3n12
BDBM50015776 Nc1nc2cc(Cl)ccc2n2cnnc12
BDBM50015778 CCNc1nc2ccccc2n2c(CC)nnc12
BDBM50015779 CCc1nnc2c(N)nc3cc(Cl)c(Cl)cc3n12
BDBM50015780 CCN(CC)c1nc2ccccc2n2cnnc12
BDBM50015782 CC(C)Nc1nc2cc(F)ccc2n2cnnc12
BDBM50015783 CCNc1nc2ccc(F)cc2n2cnnc12
BDBM50015784 CCc1nnc2c(N)nc3cc(OC)ccc3n12
BDBM50015785 CCc1nnc2c(NC(C)C)nc3ccc(F)cc3n12
BDBM50015786 Nc1nc2ccccc2n2cnnc12
BDBM50015798 Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
BDBM50015804 COc1nnc2c(NC(C)C)nc3ccc(F)cc3n12
BDBM50015808 CC(C)Nc1nc2ccc(Cl)cc2n2cnnc12
BDBM50018570 Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O
BDBM50018571 CC(C)Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O
BDBM50018572 CCCCn1c2cc3nc[nH]c3cc2c(=O)n(CCCC)c1=O
BDBM50018573 Cn1cnc2cc3n(C)c(=O)n(C)c(=O)c3cc12
BDBM50018574 CCCn1c2ccc3[nH]cnc3c2c(=O)n(CCC)c1=O
BDBM50018575 Cn1c2cc3nc([nH]c3cc2c(=O)n(C)c1=O)-c1ccccc1
BDBM50018576 Cn1c2ccc3[nH]c(nc3c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50018577 CCn1c2cc3nc([nH]c3cc2c(=O)n(CC)c1=O)-c1ccccc1
BDBM50018578 Cn1cnc2cc3c(cc12)n(C)c(=O)n(C)c3=O
BDBM50018579 CC(C)Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O
BDBM50018580 CCCn1c2cc3nc[nH]c3cc2c(=O)n(CCC)c1=O
BDBM50018581 CCCCn1c2ccc3[nH]cnc3c2c(=O)n(CCCC)c1=O
BDBM50018582 Cn1cnc2ccc3n(C)c(=O)n(C)c(=O)c3c12
BDBM50018583 CCn1c2ccc3[nH]c(nc3c2c(=O)n(CC)c1=O)-c1ccccc1
BDBM50453081 Nc1nc(NCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50453082 CC(C)(C)OC(=O)Cc1cccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
BDBM50453083 Nc1nc(NCCc2ccc(\C=C\c3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50453084 C[C@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
BDBM50018584 Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O
BDBM50453085 Nc1nc(NCCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50453086 CCOP(=O)(CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1)OCC
BDBM50453087 C[C@@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
BDBM50023353 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1O
BDBM50023354 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnccn1
BDBM50023479 CCc1nnc2c(NC3CCC3)nc3ccccc3n12
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
BDBM50023480 Cc1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50023481 CCc1nnc2c(Nc3ccccc3)nc3ccccc3n12
BDBM50023482 CCCc1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50023483 CCCCc1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50023484 CCc1nnc2c(NCC(C)O)nc3ccccc3n12
BDBM50023485 C1CCC(C1)Nc1nc2ccccc2n2cnnc12
BDBM50023486 CCc1nnc2c(NC3CCCCC3)nc3ccccc3n12
BDBM50023487 CCc1nnc2c(NC3CC4CCC3C4)nc3ccccc3n12 |TLB:7:8:14:12.11|
BDBM50023488 CCc1nnc2c(NC3CCCC3)nc3ccccc3n12
BDBM50453224 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50023489 CCc1nnc2c(NC3CC3)nc3ccccc3n12
BDBM50023490 CC(C)(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50453036 COc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
BDBM50023491 Cn1c2ccccc2c2nc(nn2c1=N)-c1ccco1
BDBM50023492 Nc1nc2ccc(O)cc2c2nc(nn12)-c1ccco1
BDBM50023493 CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50453037 CCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50453038 COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50023494 Nc1nc2ccc(OCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50023495 OCCNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023496 Nc1nc2ccccc2c2nc(nn12)-c1ccco1
BDBM50023497 Nc1nc2ccc(Cl)cc2c2nc(nn12)C1CCCO1
BDBM50023498 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
BDBM50023499 CNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023500 CC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50453210 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCO |r|
BDBM50023501 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc[nH]1
BDBM50453211 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCCC1 |r|
BDBM50023502 CN(C)c1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50023503 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1cccs1
BDBM50022724 CCCn1nc(C)c2cc3c(C)nn(CCC)c3cc12
BDBM50453212 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCc1ccccc1 |r|
BDBM50453213 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC1CCCC1 |r|
BDBM50453214 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCCCC1 |r|
BDBM50023505 COc1ccc2nc(N)n3nc(nc3c2c1)-c1ccco1
BDBM50023506 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccoc1
BDBM50022725 C=CCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
BDBM50022726 Cc1nn(C)c2c(C)c3n(C)nc(C)c3cc12
BDBM50022727 Cc1nn(C)c2cc3n(C)nc(C)c3cc12
BDBM50453215 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCC1 |r|
BDBM50453216 CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50453217 CC(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50022728 CCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c12
BDBM50022729 CCn1nc(C)c2cc3c(C)nn(CC)c3cc12
BDBM50022731 CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O
BDBM50453218 CC(C)(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50453219 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCC1 |r|
BDBM50022732 Cc1n[nH]c2c([N+]([O-])=O)c3n[nH]c(C)c3cc12
BDBM50022733 Cc1n[nH]c2cc3n[nH]c(C)c3cc12
BDBM50022734 Cc1n[nH]c2c(C)c3n[nH]c(C)c3cc12
BDBM50453220 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC(O)c1ccccc1 |r|
BDBM50453221 CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50453222 CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
BDBM50453223 CCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50020960 Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccccc1
BDBM50021004 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
BDBM50021279 C[C@H](Cc1ccccc1)Nc1ncnc2n(CC(O)C(O)C(O)CO)cnc12
BDBM50021280 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCCO1
BDBM50021281 C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@H](O)CO)cnc12
BDBM50021283 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C(CO)OC(O)CO
BDBM50021286 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCC(O)C1O
BDBM50021290 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OCC(O)C(O)C1O
BDBM50021292 C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@@H](O)CO)cnc12
BDBM50021077 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
BDBM50021078 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
BDBM50021079 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)C)cc1
BDBM50021080 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
BDBM50021081 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC23)cc1
BDBM50021082 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1
BDBM50021083 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1
BDBM50021084 Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50021085 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
BDBM50021086 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCCCCCCCN)cc1
BDBM50021087 Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
BDBM50021088 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN)cc1
BDBM50021294 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCO1
BDBM50021448 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O
BDBM50021449 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O
BDBM50021450 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
BDBM50021451 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(F)cc1F
BDBM50021452 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
BDBM50021453 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O
BDBM50021454 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)ccc1O
BDBM50021455 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1
BDBM50021456 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1
BDBM50021457 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccc(O)c1O
BDBM50021458 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(C)C
BDBM50021459 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1OC
BDBM50021460 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)c(Cl)c1
BDBM50021293 C[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12
BDBM50009547 CC(C)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
BDBM50009514 Nc1nc(NCCc2ccccn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009533 CN(CCC1CCCCC1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50009508 Nc1nc(NCCc2cc(Br)cs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009532 Nc1nc(NCCOc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009537 Nc1nc(NCCN2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009541 Nc1nc(NCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009539 Nc1nc(NCCc2ccc(CCc3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009538 Nc1nc(NCCC2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009540 Nc1nc(NCCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009543 Nc1nc(NCCc2ccc3CCCCc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009511 CC(C)(C)OC(=O)c1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50009545 Nc1nc(NCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009528 Nc1nc(NCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009513 Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:14:9:16:13.15.12,14:13:16:9.8.10,THB:12:11:8:13.15.14,12:13:8:11.16.10|
BDBM50009531 Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50009515 Nc1nc(NC[C@@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009534 Nc1nc(NC[C@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009542 [H][C@@]12C[C@@]([H])(C=C(CCNc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)C1)C2(C)C |t:5,TLB:7:6:30:2|
BDBM50009520 CN(CCc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50009516 CCOC(=O)Cc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50009549 Nc1nc(NC2Cc3ccccc3C2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50009548 C[C@H](CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
BDBM50009519 CCOC(=O)CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50009527 [H][C@]1(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)CC2CCC1C2 |TLB:2:1:29:27.26|
BDBM50009551 CCC(CC)CCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50009529 Nc1nc(NCCc2ccc(CCC3CCCCC3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50025581 CC(C)n1c2nc[nH]c2c(=O)n(C)c1=O
BDBM50037426 Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037429 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50042735 CCCn1c2nc(\C=C/c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50043210 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)Cc1ccccc1
BDBM50042199 CCCCn1cnc2[nH]c(=O)[nH]c(=O)c12
BDBM50042201 Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1ccccc1
BDBM50042203 Cn1c(=O)[nH]c2ncn(CC#C)c2c1=O
BDBM50042204 O=c1[nH]c2nc[nH]c2c(=O)n1Cc1ccccc1
BDBM50042205 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50042206 C=CCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50042207 Clc1cccc(Cn2c(=O)[nH]c3nc[nH]c3c2=O)c1
BDBM50042208 Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
BDBM50042209 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50042210 Cn1cnc2[nH]c(=O)n(C)c(=O)c12
BDBM50042211 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
BDBM50042212 CC(=O)Cn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
BDBM50042213 O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)C1CCCCC1
BDBM50042214 O=c1[nH]c2nc([nH]c2c(=O)[nH]1)-c1ccccc1
BDBM50042216 O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1ccccc1
BDBM50042217 O=c1[nH]c2nc[nH]c2c(=O)n1CC#C
BDBM50042219 Cn1cnc2[nH]c(=O)n(CC#C)c(=O)c12
BDBM50042194 CCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCCC1
BDBM50042196 CCCn1c(=O)[nH]c2ncn(C)c2c1=O
BDBM50042197 C=CCn1cnc2n(CC=C)c(=O)[nH]c(=O)c12
BDBM50042198 O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1
BDBM50041598 Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50041576 Cn1c(\C=C\c2ccccc2)nc2n(C)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
BDBM50047180 Cn1c2nc(C=Cc3cccc(c3)C(F)(F)F)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047181 CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047182 COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50047183 CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50047184 CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50047185 Cn1c(\C=C\c2cc(F)cc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047186 Cn1c2nc(C=Cc3cccc(c3)[N+]([O-])=O)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047187 Cn1c(\C=C\c2cccc(c2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047189 COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC |w:6.5|
BDBM50047190 Cn1c2nc(C=Cc3cccc(N)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047191 COc1ccccc1\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50047192 COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:6.5|
BDBM50047193 CCCn1c2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(C)c2c(=O)n(CCC)c1=O
BDBM50047194 Cn1c(C=Cc2cccc(NC(=O)OC(C)(C)C)c2)nc2n(C)c(=O)n(C)c(=O)c12 |w:4.4|
BDBM50047195 CCCn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047197 CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047199 CCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CC)c1=O |w:7.7|
BDBM50047201 Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047202 COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:7.6|
BDBM50047203 CN(C)c1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:7.6|
BDBM50047204 CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047205 COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:9.8|
BDBM50047206 CCCn1c2nc(\C=C\c3cccc(N)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047207 CCCn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047208 COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c(OC)c1OC
BDBM50047209 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CN
BDBM50047210 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCc1ccccc1
BDBM50047211 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC(C)=O
BDBM50047212 COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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
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
BDBM50047153 Cn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047154 CCCn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047155 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1O
BDBM50047156 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CC#C)cc(OC)c1OC
BDBM50047157 Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047158 COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1OC
BDBM50047159 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CCc2ccccc2)cc(OC)c1OC
BDBM50047160 CCCn1c2nc(\C=C\c3cccc(F)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047161 Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047162 CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
BDBM50047163 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCN
BDBM50047164 Cn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047165 COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1OC |w:7.6|
BDBM50047166 COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
BDBM50047167 COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:8.8|
BDBM50047168 CCCn1c2nc(\C=C\c3cc(F)cc(F)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047170 COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C |w:5.4|
BDBM50047171 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50047172 Cn1c(\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047173 COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50047174 CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50047175 CCn1c(\C=C\c2cc(OC)c(OC)c(OC)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047176 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(F)=Cc1ccccc1 |w:15.17|
BDBM50047178 Cn1c2nc(C=Cc3cccc(O)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50047179 CCCn1c2nc(\C=C\c3cccc(Cl)c3)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
BDBM50060165 Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50079652 OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
BDBM50080398 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12
BDBM50085658 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50085667 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
BDBM50094569 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
BDBM50119168 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50118810 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50163015 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12
BDBM50180054 COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
BDBM50182020 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50205709 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
BDBM50207816 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50241166 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50267393 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50281130 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)S(=O)(=O)c3ccccc3)nc(Cl)nc12
BDBM50281131 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(=CC3)c3ccccc3)nc(Cl)nc12 |c:19|
BDBM50281132 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Oc3ccccc3)nc(Cl)nc12
BDBM50281133 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(O)C3)nc(Cl)nc12
BDBM50281134 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCN(CC3)c3ccccc3)nc(Cl)nc12
BDBM50281135 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)ncnc12
BDBM50281136 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12
BDBM50281137 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
BDBM50281138 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12
BDBM50281139 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Sc3ccccc3)nc(Cl)nc12
BDBM50281140 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Br)nc12
BDBM50281141 Nc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50281142 COC[C@@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50281143 CC1CCCC(C)N1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50281144 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCCC3)nc(Cl)nc12
BDBM50281145 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3c3ccccc3)nc(Cl)nc12
BDBM50281146 CCCOc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50281147 CN1CCN(CC1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50281148 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Oc3ccccc3)nc(Cl)nc12
BDBM50281149 CSc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50281150 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)c3ccccc3)nc(Cl)nc12
BDBM50281151 COC[C@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50281152 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(F)nc12
BDBM50287703 OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
BDBM50315857 COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
BDBM50364060 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCN)cc3)nc12 |r|
BDBM50367308 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC[C@](O)(CO)[C@H]1O |r|
BDBM50367309 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r|
BDBM50367310 CSC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r|
BDBM50367311 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r|
BDBM50366242 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC4CCCCC4C3)[nH]c(=O)nc12 |r|
BDBM50366243 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12 |r|
BDBM50366244 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)[nH]c(=O)nc12 |r|
BDBM50366245 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(I)nc12 |r|
BDBM50366246 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)[nH]c(=O)nc12 |r|
BDBM50366247 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)[nH]c(=O)nc12 |r|
BDBM50366248 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)[nH]c(=O)nc12 |r|
BDBM50366923 CCN(C)C1CCCc2ccncc12
BDBM50366540 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50366541 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50366542 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50367226 Cn1c(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O |r|
BDBM50367228 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCCCC3)ncnc12 |r|
BDBM50367229 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCCCCCC3)ncnc12 |r|
BDBM50366543 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50366544 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50367493 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(F)c3)ncnc12 |r|
BDBM50367494 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(I)cc3)ncnc12 |r|
BDBM50367495 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(I)c3)ncnc12 |r|
BDBM50367496 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(O)c3)ncnc12 |r|
BDBM50367497 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(c3)B(O)O)ncnc12 |r|
BDBM50367498 CCc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
BDBM50367499 Nc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
BDBM50367500 CCc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
BDBM50367501 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(F)cc3)ncnc12 |r|
BDBM50367273 Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
BDBM50367363 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C)C |r|
BDBM50367364 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OC)cc3)ncnc12 |r|
BDBM50367366 CN(C)c1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
BDBM50367367 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC=C |r|
BDBM50367368 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(OC)c(OC)c(OC)c3)ncnc12 |r|
BDBM50367369 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
BDBM50367370 CCC(CC)NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
BDBM50367371 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N(C)C |r|
BDBM50367372 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N(CC)CC |r|
BDBM50367374 CCCCN(C)C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
BDBM50367375 COc1ccc(Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc1 |r|
BDBM50367377 CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
BDBM50367378 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC(C)C |r|
BDBM50367379 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC |r|
BDBM50367380 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
BDBM50367383 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM50367384 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1ccccc1 |r|
BDBM50367385 O[C@H]1[C@@H](O)C(O[C@@H]1C(O)=O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM50367386 COc1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc(OC)c1OC |r|
BDBM50367387 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
BDBM50367388 CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |r|
BDBM50367376 NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50367406 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)(c3ccccc3)c3ccccc3)ncnc12 |r|
BDBM50367409 CC(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 |r|
BDBM50367410 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(c3ccccc3)c3ccccc3)ncnc12 |r|
BDBM50367411 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
BDBM50367412 CC(C)(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
BDBM50367413 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
BDBM50367414 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
BDBM50366539 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50368160 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)nc(Cl)nc12 |r|
BDBM50368236 C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r|
BDBM50368237 C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r|
BDBM50367863 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12 |r|
BDBM50367868 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CBr)cc4)cc3)ncnc12 |r|
BDBM50368449 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCS([O-])(=O)=O)ncnc12 |r|
BDBM50368456 CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368186 COc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368211 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4c(O)cccc34)ncnc12 |r|
BDBM50368199 CCCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368191 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(ccc34)[N+]([O-])=O)ncnc12 |r|
BDBM50368212 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc4C3)ncnc12 |r|
BDBM50368178 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCc4ccccc34)ncnc12 |r|
BDBM50368183 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc4C3)ncnc12 |r|
BDBM50368187 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCCCc4ccccc34)ncnc12 |r,t:17|
BDBM50368206 CC(C)Oc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368207 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCc4ccccc34)ncnc12 |r,t:17|
BDBM50368213 COc1cc2CCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1OC |r|
BDBM50368214 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCCc4ccccc34)ncnc12 |r|
BDBM50368215 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCc4ccccc34)ncnc12 |r|
BDBM50368204 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCSc4ccccc34)ncnc12 |r|
BDBM50368190 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4C3)ncnc12 |r|
BDBM50368188 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOc4ccccc34)ncnc12 |r|
BDBM50368192 COc1cc2CC(Cc2cc1OC)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368216 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(O)ccc34)ncnc12 |r|
BDBM50368189 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3Cc4ccccc4C3)ncnc12 |r|
BDBM50368179 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCc4ccccc34)ncnc12 |r|
BDBM50368203 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCCc4ccccc34)ncnc12 |r|
BDBM50368197 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CSc4ccccc4C3)ncnc12 |r|
BDBM50368194 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCc4ccccc34)ncnc12 |r|
BDBM50368218 CCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368205 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCc4ccccc34)ncnc12 |r|
BDBM50368217 CCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368202 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc5OCOc5cc34)ncnc12 |r|
BDBM50368198 COc1cc2CCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(OC)c1OC |r|
BDBM50368210 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCCCc4ccccc34)ncnc12 |r|
BDBM50368219 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc34)ncnc12 |r|
BDBM50368220 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCCc4ccccc34)ncnc12 |r,t:17|
BDBM50368185 CCCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368221 CCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368180 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCc4ccccc34)ncnc12 |r|
BDBM50368177 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4c(OCc5ccccc5)cccc34)ncnc12 |r|
BDBM50368208 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccc(OCc5ccccc5)cc34)ncnc12 |r|
BDBM50368201 CC(C)Oc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
BDBM50368222 CC(C)COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368184 CCCOc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
BDBM50368200 CCOc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
BDBM50368209 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccc(O)cc34)ncnc12 |r|
BDBM50368196 COc1ccc2C(CCCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368193 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(Cl)ccc34)ncnc12 |r|
BDBM50368305 CC[C@H](Nc1ncnc2n(C)cnc12)c1ccccc1 |r|
BDBM50368478 NNc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50367594 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3c4ccccc4cc4ccccc34)ncnc12 |r|
BDBM50367595 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC3c4ccccc4-c4ccccc34)ncnc12 |r|
BDBM50367596 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3c4ccccc4-c4ccccc34)ncnc12 |r|
BDBM50367597 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc4ccccc34)ncnc12 |r|
BDBM50367598 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4Oc4ccccc34)ncnc12 |r|
BDBM50367599 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4CCc4ccccc34)ncnc12 |r|
BDBM50368306 CC[C@@H](Nc1ncnc2n(C)cnc12)c1ccccc1 |r|
BDBM50368543 Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r|
BDBM50368328 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCC1 |r|
BDBM50368329 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1 |r|
BDBM50368336 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1 |r|
BDBM50368339 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC1CCCCC1 |r|
BDBM50368340 CCCCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368341 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCC1 |r|
BDBM50368342 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCC1CCCCC1 |r|
BDBM50368343 CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368346 CCCCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
BDBM50368347 CCCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
BDBM50368354 CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=S)NC)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368355 CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCCC)c2n1 |r|
BDBM50368356 CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368357 CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(C)=O)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368358 CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=O)NC)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368359 CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC=O)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368362 CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2n1 |r|
BDBM50367680 CC(Cc1ccccc1)Nc1cc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50367681 CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50367686 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3c(Cl)cccc3Cl)ncnc12 |r|
BDBM50367687 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12 |r|
BDBM50367688 COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1ccccc1C |r|
BDBM50367689 Cc1cccc(C)c1C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
BDBM50367690 COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
BDBM50367691 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12 |r|
BDBM50367692 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3cc(Cl)cc(Cl)c3)ncnc12 |r|
BDBM50367693 Cc1cccc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(C)c1 |r|
BDBM50367694 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cccc(Cl)c3)c3cccc(Cl)c3)ncnc12 |r|
BDBM50367695 COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1c(C)cccc1C |r|
BDBM50368386 CCCCCC\C=C/c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368387 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#C |r|
BDBM50368388 CCCCCCC#Cc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368390 CCCCCCC#Cc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368391 CCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368393 CCCCCCC#Cc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368400 CCCOCCC#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368401 CC(=O)c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368402 CCCCCCCCCCC#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368403 CCCCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50367858 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)S([O-])(=O)=O)cc4)cc3)ncnc12 |r|
BDBM50367859 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5cccc(c5)N=C=S)cc4)cc3)ncnc12 |r|
BDBM50397724 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r|
BDBM50389797 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50385958 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12 |r|
BDBM50408666 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 |r|
BDBM50407975 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |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|
BDBM50407524 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12 |r|
BDBM50407525 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12 |r|
BDBM50407526 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12 |r|
BDBM50407529 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ccnc12 |r|
BDBM50406700 CCCCCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50420983 Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420984 Cn1c(COc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420985 Cn1c(COc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
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|
BDBM50421993 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
BDBM50187586 CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
BDBM50187599 CN(C)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM65453 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC(C)C)c2n1 |r|
BDBM50182282 [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc1
BDBM50182283 Cl.[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc1
BDBM50182284 Cl.[#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])c1
BDBM50187600 Cn1c2nc3CN(CCc4ccc(OCCN5CCCCC5)cc4)CCn3c2c(=O)n(C)c1=O
BDBM50187656 CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(O)cc1
BDBM50187659 CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(OCCN(C)C)cc1
BDBM50187661 CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(O)cc1
BDBM50187662 CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN(C)C)cc1
BDBM50187664 CCCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCCC)c1=O
BDBM50187666 CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN(CC)CC)cc1
BDBM50187667 CCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CC)c1=O
BDBM50187674 CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50187675 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(OCCN2CCCCC2)cc1
BDBM50187677 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(OCCN2CCOCC2)cc1
BDBM50187678 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(OCCN2CCCC2)cc1
BDBM50187592 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(O)cc1
BDBM50187593 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCOCC2)cc1
BDBM50187594 Cn1c2nc3N(CCc4ccc(OCCN5CCCC5)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50187595 Cn1c2nc3N(CCc4ccc(OCCN5CCCCC5)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50187596 Cn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50187597 CN(C)CCOc1ccc(cc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
BDBM50187598 CCN(CC)CCOc1ccc(cc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
BDBM50187601 Cn1c2nc3CN(CCc4ccc(OCCN5CCOCC5)cc4)CCn3c2c(=O)n(C)c1=O
BDBM50187603 Cn1c2nc3CN(CCc4ccc(O)cc4)CCn3c2c(=O)n(C)c1=O
BDBM50187604 CN(C)CCOc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50187605 CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
BDBM50187606 CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCOCC2)cc1
BDBM50187655 CCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50187660 CCCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCCC)c1=O
BDBM50187587 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(C)C)cc1
BDBM50187590 CCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC)c1=O
BDBM50187588 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
BDBM50187589 CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50182281 Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1nc(Cl)c(-[#7]-[#6]-[#6]-c2ccc3-[#8]-[#6]-[#8]-c3c2)nc1-[#7]
BDBM50187676 CCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50187584 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1
BDBM50187585 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1
BDBM50187591 CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O
BDBM50187602 CCN(CC)CCOc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50204234 CCn1c2nc(COc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM50204237 CCn1c2nc(COc3ccc(F)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM50204232 CCn1c2nc(COc3ccc(Br)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM50204233 CCn1c2nc(COc3ccc(OC)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM50204235 Cc1ccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50204236 CCn1c2nc(COc3ccc(C)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM50204238 COc1ccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50204239 CCn1c2ncn(C)c2c(=O)n(CC)c1=O
BDBM50228502 CN1CC(=O)N(C)c2ncn(C)c2C1=O
BDBM50228503 CN1c2ncn(C)c2C(=O)NCC1=O
BDBM50227331 CCCn1c2[nH]cnc2c(=O)n(CCC)c1=O
BDBM50227332 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM50227333 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCc2c[nH]cn2)cc1O
BDBM50227334 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCc2ccc(O)cc2)cc1O
BDBM50227335 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(=O)NCC(=O)OC
BDBM50227336 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1O
BDBM50227339 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1O
BDBM50227340 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
BDBM50227342 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CCNCC1
BDBM50025446 O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)N1CCCCC1)n1cnc2c(NN3CCCCC3)ncnc12 |r|
BDBM50230718 Cn1c(CCc2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50231340 CC(C)n1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50228504 Cc1c(C)c2c(N)ncnc2n1[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
BDBM50230291 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCNC(=O)Cc4ccc(N)c(I)c4)cc3)nc12 |r|
BDBM50228562 Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCCCC1
BDBM50230715 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CNC(=O)OC(C)(C)C
BDBM50231015 CCCn1c(=O)n(CCc2ccc(NC(C)=O)cc2)c2[nH]c(nc2c1=O)C1CCCC1
BDBM50227193 O=c1[nH]c2[nH]cnc2c(=O)[nH]1
BDBM50230716 COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50230717 COc1ccc(\C=C\c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c(OC)c1OC
BDBM50230720 COc1cc(OC)cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50230721 CN(C)c1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50227338 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1O
BDBM50227341 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1O
BDBM50230719 COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CNC(C)=O
BDBM50230152 Nc1nc(N\N=C\C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|