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776 SMILES Strings for DNA topoisomerase 1

Compound NameSMILES String
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM22984 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
BDBM24777 Oc1cccc2C(=O)C=CC(=O)c12 |c:8|
BDBM50005480 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
BDBM50008922 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)cc4cc3Cn1c2=O |r|
BDBM50008923 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|
BDBM50008935 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r|
BDBM50008936 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O |r|
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50013091 Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
BDBM50013811 c1ccc2c(c1)[nH]c1cnccc21
BDBM50017712 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50033769 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccccc12
BDBM50033770 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cccc2Cl
BDBM50033771 CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(I)c4c(C(O)=O)c3Cn1c2=O
BDBM50033772 CCOC(=O)c1c2Cn3c(cc4c(COC(=O)C4(O)CC)c3=O)-c2nc2cc3OCCOc3cc12
BDBM50033773 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(Cl)cc12
BDBM50033774 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(OC(F)(F)F)ccc12
BDBM50033775 CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(F)cc4c(C(O)=O)c3Cn1c2=O
BDBM50033776 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(F)c(F)cc12
BDBM50033777 CC[C@@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(F)cc12
BDBM50033778 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccccc12
BDBM50033779 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cc(C)cc2[N+]([O-])=O
BDBM50033780 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(I)cc12
BDBM50033781 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cccc2C
BDBM50033782 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1ccc(F)c2C
BDBM50033783 CCC1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(F)cc4c(C(O)=O)c3Cn1c2=O
BDBM50033784 CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C(O)=O)c3Cn1c2=O
BDBM50033785 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(F)c(F)cc12
BDBM50033786 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)N(C)c2ccccc12
BDBM50033787 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(F)cc12
BDBM50033788 CC[C@@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccccc12
BDBM50033789 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(F)cc4c(C(O)=O)c3Cn1c2=O
BDBM50033790 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(SC)ccc12
BDBM50033791 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(I)cc12
BDBM50033792 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(Br)cc12
BDBM50033793 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cc(F)c(F)c2F
BDBM50033794 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(OC)ccc12
BDBM50033795 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(F)cc4c(C(O)=O)c3Cn1c2=O
BDBM50033796 CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(C(O)=O)c3Cn1c2=O
BDBM50033797 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(C)cc12
BDBM50033798 CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(C)cc4c(C(O)=O)c3Cn1c2=O
BDBM50033799 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc3OCCOc3cc12
BDBM50033800 CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O
BDBM50033801 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(I)cc4c(C(O)=O)c3Cn1c2=O
BDBM50033802 CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(F)cc12
BDBM50034019 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(Br)cc12
BDBM50034020 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CN)cc4c(C)c3Cn1c2=O
BDBM50034021 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])ccc4cc3Cn1c2=O
BDBM50034022 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2c[n+](C)ccc12
BDBM50034023 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(=O)NCCN(C)C
BDBM50034024 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CNC(=O)OC(C)(C)C)cc4c(C)c3Cn1c2=O
BDBM50034025 CCOC(=O)c1cc2c(CC)c3Cn4c(cc5c(COC(=O)[C@]5(O)CC)c4=O)-c3nc2cn1
BDBM50034027 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C#CCN(C)C
BDBM50034028 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(CCCN(C)C)cc12
BDBM50034029 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#CCN1CCOCC1
BDBM50034030 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnccc4cc3Cn1c2=O
BDBM50033709 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:15.15|
BDBM50033710 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033711 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]Cl)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033712 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:13.13|
BDBM50033713 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]=[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033714 [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.9|
BDBM50033715 [#6]-[#6]=[#6]-[#6]=[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.9,3.2,1.0|
BDBM50033716 [#6]-[#6]-[#6]\[#6]=[#6]\[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.9|
BDBM50033717 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)\[#6]=[#6]\[#6]-[#6]-[#6]=[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033718 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:12.12|
BDBM50033719 [#6]-[#6]\[#6]=[#6]\[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.9|
BDBM50033720 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:14.14|
BDBM50033721 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)C(Cl)(Cl)Cl)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033722 [#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|
BDBM50033723 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:10.10|
BDBM50033724 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:21.21|
BDBM50033725 [#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:6.6|
BDBM50033726 [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]\[#6]=[#6]\[#6]\[#6]=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:21.21|
BDBM50033727 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033728 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]-[#6]-[#6]=[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033729 [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]\[#6]=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:21.21|
BDBM50033730 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:19.19|
BDBM50033731 CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
BDBM50033732 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033733 [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:8.8|
BDBM50033734 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]=[#6](-[#6])-[#6]=[#6]\[#6]=[#6](/[#6])\[#6]=[#6]\[#6]1=[#6](-[#6])-[#6]-[#6]-[#6]C1([#6])[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.8,4.3,13.13,c:19|
BDBM50034009 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(N)=N
BDBM50034010 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(CN)cc4c(C)c3Cn1c2=O
BDBM50034011 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnccc12
BDBM50034012 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#CCN
BDBM50034013 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(Br)cc4c(C)c3Cn1c2=O
BDBM50034014 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#N
BDBM50034015 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(CN)cc12
BDBM50034016 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C#N
BDBM50034017 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C#CCN
BDBM50034018 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(=N)NO
BDBM50033735 [#6]-[#6]\[#6]=[#6]\[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:8.8|
BDBM50033736 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:11.11|
BDBM50033737 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033739 [#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|
BDBM50033740 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:21.21|
BDBM50033741 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](-[#6])=O)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50034955 Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2nc[nH]c12
BDBM50034961 Nc1nc(Cl)cc(Nc2ccc(Cl)c(Cl)c2)n1
BDBM50036129 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CCl)c3Cn1c2=O
BDBM50036130 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(CN4CCN(C)CC4)c3Cn1c2=O
BDBM50036131 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CN4CCN(C)CC4)c3Cn1c2=O
BDBM50036132 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(CCl)c3Cn1c2=O
BDBM50036133 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
BDBM50045397 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCN(C)CC5)cc4cc3Cn1c2=O
BDBM50045398 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(Br)cc4cc3Cn1c2=O
BDBM50045359 CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O
BDBM50045360 CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(NC(=O)CN)c4cc3Cn1c2=O
BDBM50045361 CCC1(O)C(=O)OCc2c1cc1-c3ncccc3Cn1c2=O
BDBM50045362 CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
BDBM50045363 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
BDBM50045364 CCC1(O)C(=O)OCc2c1cc1-c3nc4c(Br)cc(Br)c(N)c4cc3Cn1c2=O
BDBM50045366 CCC(O)(C([O-])=O)c1cc2-c3nc4cccc(N)c4cc3Cn2c(=O)c1CO
BDBM50045367 CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O
BDBM50045368 CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(Cl)c4cc3Cn1c2=O
BDBM50045369 CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(F)c4cc3Cn1c2=O
BDBM50045372 CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(O)c4cc3Cn1c2=O
BDBM50045375 CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(Cl)c4cc3Cn1c2=O
BDBM50045376 CCC(O)(C([O-])=O)c1cc2-c3nc4ccc([O-])cc4cc3Cn2c(=O)c1CO
BDBM50045377 CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
BDBM50045378 CCC(O)(C([O-])=O)c1cc2-c3nc4ccccc4cc3Cn2c(=O)c1CO
BDBM50045379 CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c([N+]([O-])=O)c4cc3Cn1c2=O
BDBM50045380 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCOc5c4cc3Cn1c2=O
BDBM50045381 CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O
BDBM50045382 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)C(O)=O
BDBM50045383 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(Cl)c(Cl)c4cc3Cn1c2=O
BDBM50045384 CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(NC(=O)CN)c4cc3Cn1c2=O
BDBM50045386 OC1(CCBr)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
BDBM50045387 CC1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
BDBM50045388 OCCC1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
BDBM50045389 CCC(O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5c(N)c4cc3Cn2c(=O)c1CO
BDBM50045390 CCC(O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5cc4cc3Cn2c(=O)c1CO
BDBM50045391 CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(OC)c4cc3Cn1c2=O
BDBM50045392 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(F)cc4cc3Cn1c2=O
BDBM50045393 CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4cc3Cn1c2=O
BDBM50045395 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN5CC5)c4cc3Cn1c2=O
BDBM50045396 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCC(CC5)N5CCCCC5)cc4cc3Cn1c2=O
BDBM50049292 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccncc4)c3Cn1c2=O
BDBM50049293 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccccn4)c3Cn1c2=O
BDBM50049294 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O
BDBM50049295 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4cccc(CO)c4)c3Cn1c2=O
BDBM50049296 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccccn4)c3Cn1c2=O
BDBM50049297 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O
BDBM50049298 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(Cn4ccnc4)c3Cn1c2=O
BDBM50049299 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(Cn4cc[n+](C)c4)c3Cn1c2=O
BDBM50049300 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(Cn4cc[n+](C)c4)c3Cn1c2=O
BDBM50049301 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4cccc(CO)c4)c3Cn1c2=O
BDBM50049302 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccc(CO)cc4)c3Cn1c2=O
BDBM50049303 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccncc4)c3Cn1c2=O
BDBM50049304 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(Cn4ccnc4)c3Cn1c2=O
BDBM50052414 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
BDBM50055646 CCCC(=O)Nc1cn(COC)c(n1)C(=O)NCCOc1ccc2nc-3c(Cn4c-3cc3c(COC(=O)C3(O)CC)c4=O)cc2c1
BDBM50055647 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)c7ccc(NC(=O)CCCN(C)C)n7COC)cn6COC)cn5COC)cc4cc3Cn1c2=O
BDBM50055648 CCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCOc3ccc4nc-5c(Cn6c-5cc5c(COC(=O)C5(O)CC)c6=O)cc4c3)n(COC)c2)n(COC)c1
BDBM50055649 CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NOC(=O)COc4ccc5nc-6c(Cn7c-6cc6c(COC(=O)C6(O)CC)c7=O)cc5c4)cn3COC)cn2COC)cn1COC
BDBM50055650 CCOC(=O)c1cc(NOC(=O)COc2ccc3nc-4c(Cn5c-4cc4c(COC(=O)C4(O)CC)c5=O)cc3c2)cn1COC
BDBM50055651 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)CCCN(C)C)cn6COC)cn5COC)cc4cc3Cn1c2=O
BDBM50055652 CCOC(=O)c1cc(NC(=O)c2cc(NOC(=O)COc3ccc4nc-5c(Cn6c-5cc5c(COC(=O)C5(O)CC)c6=O)cc4c3)cn2COC)cn1COC
BDBM50055653 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCC(=O)ONc5cc(C(=O)NCCCN(C)C)n(COC)c5)cc4cc3Cn1c2=O
BDBM50055656 CCCC(=O)Nc1cn(COC)c(n1)C(=O)Nc1cn(COC)c(n1)C(=O)NCCOc1ccc2nc-3c(Cn4c-3cc3c(COC(=O)C3(O)CC)c4=O)cc2c1
BDBM50055659 Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
BDBM50055660 [#6]-n1cc(-[#7]-[#6](=O)-c2cc(-[#7]-[#6](=O)-[#6]\[#7]=[#6](\[#7])-[#7])cn2-[#6])cc1-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#7])=[#7]
BDBM50055661 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCCNC(=O)c5cc(NC(=O)CCCN(C)C)cn5COC)cc4cc3Cn1c2=O
BDBM50055662 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCC(O)=O)cc4cc3Cn1c2=O
BDBM50055663 CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCC(=O)ONc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(COC)c7)n(COC)c6)n(COC)c5)cc4cc3Cn1c2=O
BDBM50061625 CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
BDBM50073854 OCC1OC(C(O)C(O)C1O)n1c2cc(O)ccc2c2c3C(=O)NC(=O)c3c3c4ccc(O)cc4[nH]c3c12
BDBM50073855 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50073856 OCC1OC(C(O)C(O)C1O)n1c2cccc(O)c2c2c3C(=O)NC(=O)c3c3c([nH]c4cccc(O)c34)c12
BDBM50073857 OCC1OC(C(O)C(O)C1O)n1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c3c4cc(O)ccc4[nH]c3c12
BDBM50076920 OCCNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076921 NC(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076922 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076923 NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076924 CS(=O)(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076925 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)c4ccccn4)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076926 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)c4ccccc4)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076927 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)CO)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076928 Oc1cccc2c1[nH]c1c3[nH]c4c(O)cccc4c3c3C(=O)NC(=O)c3c21
BDBM50076929 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)CC#N)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076930 CC(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076931 CCC(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076932 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NCC(O)=O)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076944 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(Nc4ccc(cc4)C(O)=O)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076933 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NCc4cccc(O)c4)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076934 CN(C)CC(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076935 OCC(O)CNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076936 CCCNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076937 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)Nc4ccccc4)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076938 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NCCC#N)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50076939 CN(C)N1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076940 CNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076941 Cc1ccc(cc1)S(=O)(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076942 CCNN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50076943 OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC=O)C(=O)c3c3c4cccc(O)c4[nH]c3c12
BDBM50081426 CNC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O |c:18,20|
BDBM50081427 COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O |c:18,20|
BDBM50081428 Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(=O)NCCO |c:10,t:8|
BDBM50081429 Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(N)=O |c:10,t:8|
BDBM50081431 CN1C2CC=C3C(=O)c4c(O)cc(C)cc4O[C@@]3([C@@H]2O)C1=O |t:4,THB:0:1:18:5.4.3,21:20:18:5.4.3|
BDBM50080278 COc1cc(C(C)O)c(OC)c2C(=O)C=CC(=O)c12 |c:14|
BDBM50080279 CCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC |c:14|
BDBM50080280 COc1ccc(OC)c2c(O)c(cc(O)c12)C(C)=O
BDBM50080281 CCCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC |c:15|
BDBM50080282 CCCCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC |c:16|
BDBM50080283 CCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC |c:13|
BDBM50080284 CCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC |c:12|
BDBM50080285 CCCCCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC |c:17|
BDBM50083599 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cc(O)cc3c21
BDBM50083600 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50083601 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50083602 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21
BDBM50083603 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21
BDBM50083604 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21
BDBM50083605 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21
BDBM50083606 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21
BDBM50083607 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50083608 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50083609 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50083610 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21
BDBM50083611 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21
BDBM50083612 OCC(CO)NN1C(=O)c2c(C1=O)c1c3c(O)cccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21
BDBM50083613 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
BDBM50083614 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)cc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cc(O)cc3c21
BDBM50083597 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cccc(O)c3c21
BDBM50083598 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086555 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)c1c1[nH]c3cc(O)ccc3c21
BDBM50086556 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)c1c1[nH]c3cc(O)ccc3c21
BDBM50086557 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3C[C@H](O)[C@@H](CO)O3)c1c1[nH]c3cc(O)ccc3c21
BDBM50086558 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086559 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086560 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086561 C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1c2cc(O)ccc2c2c3C(=O)N(NC(CO)CO)C(=O)c3c3c4ccc(O)cc4[nH]c3c12
BDBM50086562 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3OC[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086563 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086564 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086565 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@@H](C(O)CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086566 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](C(O)CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086567 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086568 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086569 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086570 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086571 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086572 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086574 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086575 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50086576 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50090044 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O
BDBM50092821 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccccc12
BDBM50099244 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCCNc5c4cc3Cn1c2=O
BDBM50099245 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCCN(CCN)c5c4cc3Cn1c2=O
BDBM50099246 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCCN(C)c5c4cc3Cn1c2=O
BDBM50099248 CCN1CCOc2ccc3nc-4c(Cn5c-4cc4c(COC(=O)[C@]4(O)CC)c5=O)cc3c12
BDBM50099250 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc5OCCN(CC#N)c5c4cc3Cn1c2=O
BDBM50099251 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc3OCCNc3c12
BDBM50099253 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc3OCCN(C)c3c12
BDBM50114772 COc1ccc(cn1)-c1csc(\C=C2\NC(=O)NC2=O)c1
BDBM50095650 Cc1ccc(\C=C2\NC(=S)NC2=O)cc1
BDBM50114770 COc1ccc(cn1)-c1ccc(\C=C2\NC(=O)NC2=O)s1
BDBM50119350 COc1ccc(\C=C2\NC(=O)NC2=O)cc1C
BDBM50018912 Brc1csc(\C=C2\NC(=S)NC2=O)c1
BDBM50018914 COc1ccc(\C=C2\NC(=S)NC2=O)cc1OC
BDBM50049751 COc1cc(\C=C2\NC(=S)NC2=O)cc(OC)c1OC
BDBM50013078 Cn1cc(\C=C2\NC(=S)NC2=O)c2ccccc12
BDBM50049752 COc1ccc(cn1)-c1csc(\C=C2\NC(=S)NC2=O)c1
BDBM50049758 [O-][N+](=O)c1ccc(\C=C2\NC(=S)NC2=O)cc1
BDBM50081727 COc1cccc(\C=C2\NC(=S)NC2=O)c1
BDBM50095648 COc1ccc(\C=C2\NC(=S)NC2=O)cc1
BDBM50127140 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
BDBM50119353 Cc1ccc(\C=C2\NC(=O)NC2=O)cc1
BDBM50119351 Brc1csc(\C=C2\NC(=O)NC2=O)c1
BDBM50115810 COc1ccc(C=C2NC(=O)NC2=O)cc1OC
BDBM50049755 COc1ccc(cn1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
BDBM50081726 COc1ccc(\C=C2\NC(=S)NC2=O)cc1C
BDBM50142515 Oc1ccc(cc1O)C(=O)Nc1nc2ccccc2s1
BDBM50142507 Oc1cc(cc(O)c1O)C(=O)Nc1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1
BDBM50142508 O=C(Nc1ccccc1NC(=O)c1ccccc1)c1ccccc1
BDBM50142509 Oc1ccc(cc1O)C(=O)Nc1ccccc1NC(=O)c1ccc(O)c(O)c1
BDBM50142510 CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1cccc(NC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c1
BDBM50142511 CC(=O)Oc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1
BDBM50142512 Oc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(O)cc1
BDBM50142513 CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)Nc1cccc(NC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)c1
BDBM50142514 CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1ccc(NC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1
BDBM50142516 CC(=O)Oc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2ccc(OC(C)=O)cc2)c1
BDBM50142517 Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
BDBM50142518 CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)Nc1ccc(NC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1
BDBM50142519 Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1
BDBM50142520 Oc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccc(O)cc2)cc1
BDBM50142521 Oc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2ccc(O)cc2)c1
BDBM50142522 CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)Nc1ccccc1NC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1
BDBM50142523 Oc1ccc(cc1O)C(=O)Nc1cccc(NC(=O)c2ccc(O)c(O)c2)c1
BDBM50142524 CC(=O)Oc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(OC(C)=O)cc1
BDBM50142525 Oc1cc(cc(O)c1O)C(=O)NC1=NCCS1 |t:13|
BDBM50142526 Oc1ccc(cc1O)C(=O)Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1
BDBM50142527 Oc1ccc(cc1)C(=O)Nc1nc2ccccc2s1
BDBM50142528 Oc1cc(cc(O)c1O)C(=O)Nc1nc2ccccc2s1
BDBM50142529 CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1ccccc1NC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
BDBM50142530 Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1
BDBM50119352 Cc1cc(C)cc(\C=C2\NC(=O)NC2=O)c1
BDBM50140691 c1coc(c1)-c1cc(nc(c1)-c1ccco1)-c1ccco1
BDBM50140694 c1coc(c1)-c1cc(nc(c1)-c1cccs1)-c1cccs1
BDBM50140695 C(=C/c1cc(cc(n1)-c1cccs1)-c1ccco1)\c1ccco1
BDBM50140699 c1coc(c1)-c1ccnc(c1)-c1cccs1
BDBM50142927 OCC1OC(C(O)C(O)C1O)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12
BDBM50150484 CCCCCCCC\C=C/CCCCCCCC(O)=O
BDBM50153807 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(CC(C)C)c3Cn1c2=O
BDBM50153808 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(c3Cn1c2=O)C(C)(C)C
BDBM50153809 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(c3Cn1c2=O)-c1ccc(cc1)C(F)(F)F
BDBM50153810 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(Cc4ccccc4)c3Cn1c2=O
BDBM50153811 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C4CCCC4)c3Cn1c2=O
BDBM50153812 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cc3OCOc3cc12
BDBM50153813 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(c3Cn1c2=O)-c1ccc(F)cc1
BDBM50153814 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(c3Cn1c2=O)-c1ccc(Cl)cc1
BDBM50153815 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C4CCCCC4)c3Cn1c2=O
BDBM50153816 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(Cc4ccccc4)c3Cn1c2=O
BDBM50153817 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(c3Cn1c2=O)-c1ccccc1
BDBM50153818 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(c3Cn1c2=O)-c1ccc(C)cc1
BDBM50153819 CCCCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccccc12
BDBM50164888 Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
BDBM50164195 NCC1OC(C(O)C(O)C1F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12
BDBM50164196 OC1C(O)C(OC(COF)C1F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12
BDBM50164197 OCC1OC(C(O)C(O)C1F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12
BDBM50002738 OC1[C@H](O)C(CF)OC(C1O)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12 |r|
BDBM50164199 OCC1OC(C(O)C(O)C1(F)F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12
BDBM50164200 OCC1OC(C(O)C(O)C1F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4sc3c12
BDBM50164201 NCC1OC(C(O)C(O)C1(F)F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4[nH]c3c12
BDBM50164202 OC1C(O)C(CF)OC(C1O)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4sc3c12
BDBM50164203 OCC1OC(C(O)C(O)C1F)n1c2cc(F)ccc2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12
BDBM50164204 OCC1OC(C(O)C(O)C1(F)F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4sc3c12
BDBM50164205 OCC1OC(C(O)C(O)C1F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4[nH]c3c12
BDBM50164206 OC1C(O)C(CF)OC(C1O)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4sc3c12
BDBM50164207 OC1C(O)C(CF)OC(C1O)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4[nH]c3c12
BDBM50164286 OC(=O)CCCN1C2C(C(=O)c3ccccc23)c2ccccc2C1=O
BDBM50201611 CC(CN(C)C)Oc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O |w:1.0|
BDBM50201614 CC(COc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O)N(C)C |w:1.0|
BDBM50201616 CCN(CC)CCOc1ccc2c3c(oc2c1)C(=O)c1ncccc1C3=O
BDBM50249687 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249688 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249680 Cc1ccc(CNN2C(=O)c3c(C2=O)c2c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2c2[nH]c4cc(O)ccc4c32)cc1 |r|
BDBM50249681 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(cc5)[N+]([O-])=O)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249689 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)n5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249690 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)cn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249682 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(Br)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249668 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249683 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(cc5)C#N)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249669 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccco5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249670 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccoc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249671 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc[nH]5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249684 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(O)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249685 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249691 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cc(CO)ccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249692 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ncccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249672 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249673 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccnc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249686 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(O)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249693 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249694 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cncc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249695 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)nc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249674 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249696 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50249697 OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccnc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
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BDBM50317529 C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C |r,c:22|
BDBM50317519 C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C |r,c:18|
BDBM50317520 C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C |r,c:19|
BDBM50317530 C\C=C(\C)C(=O)O[C@H]1[C@H](O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO |r,t:15|
BDBM50317531 C\C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C |r,c:22|
BDBM50317532 C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C |r,c:19|
BDBM50317533 C\C=C(\C)C(=O)O[C@H]1[C@H](O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO |r,t:15|
BDBM50317534 [#6]\[#6](-[#6])=[#6]\[#6]\[#6]=[#6](\[#6])-[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6@@H]3-[#6@@H](-[#8])-[#6][C@@]21[#6] |r|
BDBM50317535 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]-[#6@@H]-2-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|
BDBM50317536 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]([#6])([#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|
BDBM50317508 C\C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C/C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C |r,c:25|
BDBM50317509 C\C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C/C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C |r,c:24|
BDBM50317537 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6]
BDBM50317538 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|
BDBM50317539 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|
BDBM50317540 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]-[#6@@H]-2-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|
BDBM50317541 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|
BDBM50317542 [#6]-[#6@@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8])-[#8]-[#6@H]-2-[#8]-[#6@H]-2-[#6][C@]3([#6])[#6@H](-[#6]-[#6@@H](-[#8])-[#6@@H]4-[#6@H](-[#6]-[#6][C@@]34[#6])[C@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6@H]-23)-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM50317543 [#6]-[#6@@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8])-[#8]-[#6@H]-2-[#8]-[#6@H]-2-[#6][C@]3([#6])[#6@H](-[#6]-[#6@@H](-[#8])-[#6@@H]4-[#6@H](-[#6]-[#6][C@@]34[#6])[C@@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6@H]-23)-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM50317544 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]-[#6@@H]-2-[#8]-[#6]-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6@@H]3-[#6@@H](-[#8])-[#6][C@@]21[#6] |r|
BDBM50317549 C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:11|
BDBM50317550 C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O |r,c:11|
BDBM50317551 C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,c:11|
BDBM50317552 C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,c:11|
BDBM50317553 C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:11|
BDBM50326189 COc1ccc-2c(c1)\C(=N/OCCN1CCCCC1)c1c-2c(=O)[nH]c2ccccc12
BDBM50326190 COc1ccc-2c(c1)\C(=N/OCCN1CCOCC1)c1c-2c(=O)[nH]c2ccccc12
BDBM50326191 COc1ccc-2c(c1)\C(=N/OCCN(C)C)c1c-2c(nc2ccccc12)N1CCNCC1
BDBM50326192 COc1ccc-2c(c1)\C(=N/OCCCN(C)C)c1c-2c(nc2ccccc12)N1CCNCC1
BDBM50326193 COc1ccc-2c(c1)\C(=N/OCCN1CCCC1)c1c-2c(nc2ccccc12)N1CCNCC1
BDBM50326194 COc1ccc-2c(c1)\C(=N/OCCN1CCCCC1)c1c-2c(nc2ccccc12)N1CCNCC1
BDBM50326195 COc1ccc-2c(c1)\C(=N/OCCN1CCOCC1)c1c-2c(nc2ccccc12)N1CCNCC1
BDBM50326196 COc1ccc-2c(c1)\C(=N/OCCN1CCCC1)c1c-2c(=O)[nH]c2ccccc12
BDBM50326188 COc1ccc2-c3cnc4ccccc4c3C(=O)c2c1
BDBM50326181 COc1ccc-2c(c1)\C(=N/OCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
BDBM50326182 COc1ccc-2c(c1)\C(=N/OCCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
BDBM50326183 COc1ccc-2c(c1)\C(=N/OCCN1CCOCC1)c1c-2cnc2ccccc12
BDBM50326184 COc1ccc-2c(c1)\C(=N/OCCN1CCCCC1)c1c-2cnc2ccccc12
BDBM50326185 COc1ccc-2c(c1)\C(=N/OCCCN(C)C)c1c-2cnc2ccccc12
BDBM50326186 COc1ccc-2c(c1)\C(=N/OCCN1CCCC1)c1c-2cnc2ccccc12
BDBM50326187 COc1ccc-2c(c1)\C(=N/OCCN(C)C)c1c-2cnc2ccccc12
BDBM50332532 COc1cc(\C=C2\NC(=O)NC2=O)cc(OC)c1OC
BDBM50358566 [O-]c1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23
BDBM50359309 C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O[C@H]2OC[C@@](O)(COC(C)=O)[C@@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50359310 C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50359311 C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)-c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50359312 C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)-c3ccc(O)cc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50359313 C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50359314 C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50356920 [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@H]4C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6] |r,c:30,t:15|
BDBM50363804 Oc1ccc2[nH]c3c(c2c1)c1ccc(O)cc1oc3=O
BDBM50372627 NCCc1c([nH]c2cc(Br)ccc12)C(c1cn(c2ccccc12)S(=O)(=O)c1ccccc1)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F |w:13.36|
BDBM50372625 NCCc1c([nH]c2cc(Br)ccc12)C(c1c[nH]c2ccccc12)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F |w:13.26|
BDBM50378911 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N\c4ccccc4C)c3Cn1c2=O |r|
BDBM50378912 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N/OCCCO)c3Cn1c2=O |r|
BDBM50378778 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H]-2-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6@@H]3-[#6@@H](-[#8])-[#6][C@@]21[#6] |r|
BDBM50378779 [#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8])-[#8]-[#6@H]-2-[#8]-[#6@H]-2-[#6][C@]3([#6])[#6@H](-[#6]-[#6@@H](-[#8])-[#6@@H]4-[#6@H](-[#6]-[#6][C@@]34[#6])[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6@H]-23)-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM50394837 CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1
BDBM50395674 C[C@H]1O[C@H](C[C@@H](OC(=O)C=CC=CC=CC=CC(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)[C@@H]1OC(C)=O)c1ccc2C(=O)[C@@]34O[C@@]3([C@@H](O)C[C@]3(O)CC(C)=CC(=O)[C@]43O)[C@H](O)c2c1O |r,w:9.8,11.10,13.12,15.14,c:59|
BDBM50406990 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(N)cc4cc3Cn1c2=O
BDBM50406991 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(C)cc4cc3Cn1c2=O |r|
BDBM50406992 CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
BDBM50406993 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)[N+]([O-])=O |r|
BDBM50406994 CC[C@@](O)(C([O-])=O)c1cc2-c3nc4ccccc4cc3Cn2c(=O)c1CO
BDBM50406995 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(Cl)cc4cc3Cn1c2=O |r|
BDBM50406996 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(O)c4cc3Cn1c2=O |r|
BDBM50406997 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c([N+]([O-])=O)c4cc3Cn1c2=O |r|
BDBM50406998 CC[C@@](O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5c(N)c4cc3Cn2c(=O)c1CO |r|
BDBM50406999 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O |r|
BDBM50407000 CC[C@@](O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5cc4cc3Cn2c(=O)c1CO |r|
BDBM50407001 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(Cl)c4cc3Cn1c2=O |r|
BDBM50407002 CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O |r|
BDBM502 Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(C1C(=O)C(=O)c2ccccc2C1=O)C1C(=O)C(=O)c2ccccc2C1=O |w:13.14|
BDBM506 Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
BDBM50400784 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |r,c:34,t:19|
BDBM50403823 OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
BDBM50410162 CCOC(=O)Cc1ccc(\C=C2\C(=O)Oc3ccccc23)cc1
BDBM50410151 Oc1ccc2OC(=O)\C(=C\c3ccccc3)c2c1
BDBM50410152 Oc1ccc(\C=C2\C(=O)Oc3ccccc23)cc1
BDBM50410153 Oc1cc(\C=C2\C(=O)Oc3ccccc23)cc(O)c1O
BDBM50410154 [O-][N+](=O)c1ccc(\C=C2\C(=O)Oc3ccccc23)cc1
BDBM50410155 COc1cc(\C=C2\C(=O)Oc3ccccc23)ccc1O
BDBM50410156 Oc1ccc(\C=C2\C(=O)Oc3ccccc23)cc1O
BDBM50410157 COc1ccc(\C=C2\C(=O)Oc3ccccc23)cc1
BDBM50410158 Oc1ccc2OC(=O)\C(=C\c3ccc(O)c(O)c3)c2c1
BDBM50410159 Oc1ccc(\C=C2\C(=O)Oc3ccc(O)cc23)cc1
BDBM50410160 COc1ccc(\C=C2\C(=O)Oc3ccccc23)cc1O
BDBM50410161 O=C1Oc2ccccc2\C1=C/c1ccccc1
BDBM50410165 Oc1ccc2OC(=O)\C(=C\c3cc(O)c(O)c(O)c3)c2c1
BDBM50410163 Fc1ccc(\C=C2\C(=O)Oc3ccccc23)cc1
BDBM50410164 Oc1cccc(\C=C2\C(=O)Oc3ccccc23)c1
BDBM50418088 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(O)cc12 |r|
BDBM50422003 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(C)c4cc3Cn1c2=O
BDBM50422004 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)C#N
BDBM50445298 O=C1NC(=S)N\C1=C\c1ccc(s1)-c1cccnc1
BDBM50087878 OC(=O)CCC\C=C/CC\C=C/Cc1ccccc1
BDBM50087876 CCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O
BDBM50125944 Clc1ccc2c(c1)sc1c(nc3ccccc3c1c2=O)N1CCNCC1
BDBM246599 Cc1nc[nH]c1C(=O)NNC(=S)NC(=O)c1ccccc1
BDBM246600 O=C(NNC(=S)NC(=O)c1ccccc1)c1cc2ccccc2[nH]1
BDBM246601 O=C(NNC(=S)Nc1ccccc1)C1CCNCC1
BDBM246602 COc1ccc(NC(=S)NNC(=O)C2CCNCC2)cc1
BDBM246603 Ic1ccc(NC(=S)NNC(=O)C2CCNCC2)cc1
BDBM246604 Brc1ccc(NC(=S)NNC(=O)C2CCNCC2)cc1
BDBM246605 CCc1ccc(NC(=S)NNC(=O)C2CCNCC2)cc1
BDBM246606 CCNC(=S)NNC(=O)C1CCNCC1
BDBM50203047 [Br-].Cc1ccc-2c(c1)-c1[n+](Cc3ccccc3)ccc3ccnc-2c13
BDBM50203042 [Br-].CCOC(=O)C[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
BDBM50203043 [Br-].C(c1ccccc1)[n+]1ccc2c3c(nc4cc5OCOc5cc24)-c2ccccc2-c13
BDBM50203044 [Br-].C(c1ccccc1)[n+]1ccc2cc(nc3-c4ccccc4-c1c23)-c1ccccc1
BDBM50203045 [I-].CC[n+]1ccc2ccnc3-c4ccccc4-c1c23
BDBM50203046 [I-].C[n+]1ccc2cc(nc3-c4ccccc4-c1c23)-c1ccccc1
BDBM50203048 [I-].Cc1cc2c3c(nc4ccccc24)-c2ccccc2-c3[n+]1C
BDBM50203049 [I-].Cc1cc2cc[n+](C)c3-c4ccccc4-c(n1)c23
BDBM50203067 [Br-].CCOC(=O)C[n+]1ccc2ccnc3-c4ccccc4-c1c23
BDBM50202834 [Br-].Brc1cccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)c1
BDBM50202835 [Br-].COc1ccc-2c(c1)-c1[n+](Cc3ccccc3)ccc3ccnc-2c13
BDBM50202836 [Br-].O=C(C[n+]1ccc2ccnc3-c4ccccc4-c1c23)c1ccccc1
BDBM50202837 Cc1ccc(cc1)S([O-])(=O)=O.C[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
BDBM50202838 c1ccc-2c(c1)-c1nccc3ccnc-2c13
BDBM50202839 [Br-].Fc1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1
BDBM50202840 [I-].C[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
BDBM50202841 [I-].C[n+]1ccc2ccnc3-c4ccccc4-c1c23
BDBM50202863 [Br-].Clc1cccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)c1
BDBM50202880 [Br-].Cc1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1
BDBM50202895 [Br-].FC(F)(F)c1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1
BDBM50203037 [Br-].COc1cc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc(OC)c1
BDBM50203038 [Br-].Cc1cc2cc[n+](Cc3ccccc3)c3-c4ccccc4-c(n1)c23
BDBM50203039 Cc1cc(C)cc(CS([O-])(=O)=O)c1.N[n+]1ccc2ccnc3-c4ccccc4-c1c23
BDBM50203040 [I-].CC[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
BDBM50203041 [Br-].CC[n+]1c2-c3ccccc3-c3nc(cc(c23)c2ccccc12)-c1ccccc1
BDBM50203050 [Br-].[O-][N+](=O)c1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1
BDBM50203051 [Br-].Fc1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)c(F)c1
BDBM50203066 [Br-].C(c1ccc2ccccc2c1)[n+]1ccc2ccnc3-c4ccccc4-c1c23
BDBM50203110 [I-].C[n+]1c2-c3ccccc3-c3nc(cc(c23)c2ccccc12)-c1ccccc1
BDBM50203111 [I-].C[n+]1ccc2c3c(nc4cc5OCOc5cc24)-c2ccccc2-c13
BDBM50203112 [Br-].C(c1ccccc1)[n+]1ccc2ccnc3-c4ccccc4-c1c23
BDBM50203113 [Br-].C(c1ccccc1)[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
BDBM50231225 CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O |r|
BDBM50231226 [Na+].CC[C@](O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5c(N)c4cc3Cn2c(=O)c1CO |r|
BDBM50239537 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCOCC#C)cc1
BDBM50239534 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc(OCc2cn(CCCCN=[N+]=[N-])nn2)cc1
BDBM50239535 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCCOCC#C)cc1
BDBM50239536 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCOCC#C)cc1
BDBM50239538 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCCCCOCC#C)cc1
BDBM50247527 Brc1ccc(cc1)-c1c2ccc(n2)c(-c2ccncc2)c2ccc([nH]2)c(-c2ccncc2)c2ccc(n2)c(-c2ccncc2)c2ccc1[nH]2
BDBM50247528 CN(C)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)N(C)C)c2ccc([nH]2)c(-c2ccc(cc2)C(O)=O)c2ccc(n2)c(-c2ccc(cc2)C(O)=O)c2ccc1[nH]2
BDBM50247529 c1cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1ccc(n1)c(-c1ccncc1)c1ccc([nH]1)c2-c1ccncc1
BDBM50247530 OC(=O)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)C(O)=O)c2ccc(n2)c(-c2ccc(cc2)C(O)=O)c2ccc1[nH]2
BDBM50247531 Brc1ccc(cc1)-c1c2ccc(n2)c(-c2ccncc2)c2ccc([nH]2)c(-c2ccc(Br)cc2)c2ccc(n2)c(-c2ccncc2)c2ccc1[nH]2
BDBM50247512 c1cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1ccc(n1)c(-c1ccccc1)c1ccc([nH]1)c2-c1ccccc1
BDBM50247524 Brc1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(Br)cc2)c2ccc([nH]2)c(-c2ccncc2)c2ccc(n2)c(-c2ccncc2)c2ccc1[nH]2
BDBM50247525 Nc1ccc(cc1)-c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)-c2ccc(N)cc2)c2ccc([nH]2)c(-c2ccncc2)c2ccc(n2)c(-c2ccncc2)c2ccc1[nH]2
BDBM50247526 Brc1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)-c2ccncc2)c2ccc([nH]2)c(-c2ccc(Br)cc2)c2ccc(n2)c(-c2ccc(cc2)-c2ccncc2)c2ccc1[nH]2
BDBM50247532 CN(C)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)N(C)C)c2ccc([nH]2)c(-c2ccc(cc2)C(O)=O)c2ccc(n2)c(-c2ccc(cc2)N(C)C)c2ccc1[nH]2
BDBM50259214 CN1CCN(CC1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O
BDBM50259155 NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|
BDBM50259212 Nc1ccc2c(c1)oc1c(F)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM50259213 OC(=O)c1cn2c3cc(Cl)c(cc3oc3c(F)c(F)cc(c23)c1=O)[N+]([O-])=O
BDBM50259215 Nc1ccc2c(c1)oc1c(N3CCNCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM50259221 Nc1ccc2c(c1)oc1c(N3CCOCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM50259242 Nc1ccc2c(c1)oc1c(NCCN3CCOCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM50259244 N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1cc(ccc1n3cc(C(O)=O)c2=O)[N+]([O-])=O |r|
BDBM50259245 N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O |r|
BDBM50259246 CN1CCN(CC1)c1c(F)cc2c3c1oc1cc(ccc1n3cc(C(O)=O)c2=O)[N+]([O-])=O
BDBM50259247 Nc1ccc2c(c1)oc1c(N3CCC(CC3)N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM50259248 N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O |r|
BDBM379123 CCOC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)[N+]([O-])=O
BDBM379133 CCOC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)C#N
BDBM379134 CCOC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)C(F)(F)F
BDBM379458 OC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)[N+]([O-])=O
BDBM379459 OC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)C#N
BDBM379460 OC(=O)c1cn2c3ccc(cc3oc3c(F)c(F)cc(c23)c1=O)C(F)(F)F
BDBM379461 CC(=O)c1ccc2c(c1)oc1c(F)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM379465 OC(=O)c1cn2c3ccc(cc3oc3c(N4CCNCC4)c(F)cc(c23)c1=O)[N+]([O-])=O
BDBM379468 Nc1ccc2c(c1)oc1c(N3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM379471 Nc1ccc2c(c1)oc1c(NC34CC5CC(CC(C5)C3)C4)c(F)cc3c1n2cc(C(O)=O)c3=O |TLB:14:15:19:12.13.18,18:13:20:19.17.16,18:17:20:12.13.14,THB:14:13:19:20.15.16|
BDBM379474 Nc1ccc2c(c1)oc1c(NC3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM379475 Nc1ccc2c(c1)oc1c(NC3CCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM379476 CCCCCNc1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O
BDBM379477 CC(=O)Nc1ccc2c(c1)oc1c(F)c(F)cc3c1n2cc(C(O)=O)c3=O
BDBM379478 CC(C)(C)OC(=O)NC1CCN(C1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O
BDBM50404460 COc1cccc(c1)-c1cc(-c2ccccc2)c2ncccc2n1
BDBM50404476 Cc1c(nc2cccnc2c1-c1ccccc1)-c1ccc(cc1)C(F)(F)F
BDBM50404818 FC(F)(F)c1ccc(cc1)-c1cc(-c2ccc(cc2)C(F)(F)F)c2ncccc2n1
BDBM50404859 Fc1ccc(cc1)-c1cc(-c2ccccc2)c2ncccc2n1
BDBM50404945 Fc1ccc(cc1)-c1cc(-c2ccsc2)c2ncccc2n1
BDBM50404946 c1ccc(cc1)-c1cc(-c2ccccc2)c2ncccc2n1
BDBM50404947 Fc1ccc(cc1F)-c1cc(-c2ccccc2)c2ncccc2n1
BDBM50404949 FC(F)(F)c1ccc(cc1)-c1cc(-c2ccccc2)c2ncccc2n1
BDBM50404950 Fc1ccc(cc1)-c1cc(-c2ccc(cc2)-c2ccccc2)c2ncccc2n1
BDBM50404951 [O-][N+](=O)c1cccc(c1)-c1cc(-c2ccc(cc2)-c2ccccc2)c2ncccc2n1
BDBM50404952 FC(F)(F)c1ccc(cc1)-c1cc(-c2ccsc2)c2ncccc2n1
BDBM50478907 COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O |r|
BDBM50496604 OC(=O)c1cc(ccc1O)\N=N\c1cccc(c1)[N+]([O-])=O
BDBM50496605 OC(=O)c1ccc(OCc2ccccc2)cc1
BDBM50496606 Cc1ccc(C)c(\C=C\c2cc(C)ccc2C)c1
BDBM50496607 CCCCCCCCCC(=O)N\N=C\c1ccc(OC(=O)c2cccc(Br)c2)cc1
BDBM50496608 CCCCCc1cc(O)cc(O)c1C(O)=O
BDBM50496609 CCCCCc1cc(OC(=O)c2ccc(O)cc2O)cc(O)c1C(O)=O
BDBM50496610 OC(=O)c1ccc(OC(=O)c2ccc(O)cc2O)cc1O
BDBM50496611 CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(O)=O)c(CCCCC)c1
BDBM50496612 COc1ccc(\C=C(/C#N)c2ccc(cc2)[N+]([O-])=O)cc1
BDBM50496613 CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(CCCCC)c2C(=O)OC(C)(C)Oc2c1
BDBM50496614 CCCCCc1cc(O)cc(OC(=O)c2c(O)cc(O)cc2CCCCC)c1
BDBM50496615 Oc1cc(OC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)ccc1C(=O)OCc1ccccc1
BDBM50496616 CCCCCc1cc(OC(=O)c2c(CCCCC)cc(OCc3ccccc3)cc2OCc2ccccc2)cc(O)c1C(=O)OCc1ccccc1
BDBM50496617 CCCCCc1cc(O)cc(O)c1C(=O)Oc1ccc(C(O)=O)c(O)c1
BDBM50496618 CC(C)(C)CC(C)(C)c1ccc(OC(=O)c2ccccc2)cc1
BDBM50496619 CCOc1ccc(C(O)=O)c(O)c1
BDBM50496620 OC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1O
BDBM50496621 [O-][N+](=O)c1cccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)c1
BDBM50496622 Nc1ccc(\N=N\c2ccccc2)c(N)c1
BDBM50473497 COC(=O)c1c(Br)c(OC)cc(O)c1CSC[C@H](Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)C1=NOCCO1 |r,t:36|
BDBM50473498 COC(=O)c1c(Br)c(OC)cc(O)c1CSC[C@H](Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1nc(C)no1 |r|
BDBM50473499 COC(=O)[C@H](CSCc1c(O)cc(OC)c(Br)c1C(=O)OC)Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r|
BDBM50498269 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCOCC#C)cc1
BDBM50498270 CN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1ccc2[nH]c(nc2c1)-c1ccc(O)cc1
BDBM50498271 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCC#C)cc1
BDBM50498272 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCC#C)cc1
BDBM50498273 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCC#C)cc1
BDBM50512181 NC[C@@H]1CCN(C1)c1cc2n(Cc3cc(no3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512182 NC[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512184 CNCCCNc1c(F)cc2c(c1OC)n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O
BDBM50512187 CN[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512192 COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1n(Cc1ccc(cc1)-c1ccccc1)cc(C(=O)NO)c2=O |r|
BDBM50512193 COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1n(Cc1ccc(cc1)-c1ccccc1)cc(C(N)=O)c2=O |r|
BDBM50512195 CNCCCCNc1c(F)cc2c(c1OC)n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O
BDBM50512197 OC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cc(N3CC4CNCC4C3)c(F)cc2c1=O
BDBM50512198 NC[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-c3ccc(F)cc3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512207 NC[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-c3ccccc3)c(=O)n(N)c(=O)c2cc1F |r|
BDBM50512209 COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1n(Cc1ccc3ccccc3c1)cc(C(O)=O)c2=O |r|
BDBM50512212 CNC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2)c2c(OC)c(N3CC[C@@H](CN)C3)c(F)cc2c1=O |r|
BDBM50512214 OC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cc(NC[C@H]3CCNC3)c(F)cc2c1=O |r|
BDBM50512217 CN[C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O |r|
BDBM50512220 COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1n(Cc1ccc(cc1)-n1cccn1)cc(C(O)=O)c2=O |r|
BDBM50512222 COc1c(N2CC[C@H](C2)C(N)=O)c(F)cc2c1n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O |r|
BDBM50512223 CNCCNc1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F
BDBM50512224 OC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cc(NC[C@@H]3CCNC3)c(F)cc2c1=O |r|
BDBM50510236 COc1ccc(cc1OC)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCOCC3)c2c1
BDBM50510239 COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510240 Oc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510242 COc1ccc(cc1OC)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510243 COc1ccc(cc1C)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510245 CCOC(=O)c1cnc2ccc(cc2c1NCCCn1ccnc1)-c1ccc(OC)cc1
BDBM50510246 CNc1c(cnc2ccc(cc12)-c1ccc(OC)cc1)-c1nnco1
BDBM50510247 Cc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510252 N#Cc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510253 COc1ccc(cc1OC)-c1ccc2ncc(-c3nnc(C)o3)c(NCCN3CCOCC3)c2c1
BDBM50510254 COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCN3CCOCC3)c2c1
BDBM50510255 Cc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCOCC3)c2c1
BDBM50510258 COc1ccc(cc1)-c1ccc2ncc(-c3nnc(N)o3)c(NCCCn3ccnc3)c2c1
BDBM50510260 COc1ccc(cc1)-c1ccc2ncc(-c3nnc(C)o3)c(NCCCn3ccnc3)c2c1
BDBM50510259 COc1ccc(cc1OC)-c1ccc2ncc(-c3nnco3)c(NCCN3CCOCC3)c2c1
BDBM50512183 OC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2)c2cc(NC[C@@H]3CCNC3)c(F)cc2c1=O |r|
BDBM50512185 CC(c1nc(no1)-c1ccncc1)n1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CC[C@@H](CN)C1 |r|
BDBM50512186 NC[C@@H]1CCN(C1)c1cc2n(Cc3nc(no3)-c3ccncc3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512188 COc1c(N2CC[C@@H](N)C2)c(F)cc2c1n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O |r|
BDBM50512189 CNC[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512190 COc1c(N2CC[C@@H](CO)C2)c(F)cc2c1n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O |r|
BDBM50512191 NC[C@@H]1CCN(C1)c1ccc2c(c1)n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O |r|
BDBM50512194 NC[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-n3cccn3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512196 CNCCCCNc1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F
BDBM50512199 CNC[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-n3cccn3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512200 COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1n(Cc1ccc(cc1)-c1ccc(F)cc1)cc(C(O)=O)c2=O |r|
BDBM50512201 COc1c(N2CC[C@@H](N)C2)c(F)cc2c1n(Cc1ccc(cc1)-c1ccc(F)cc1)cc(C(O)=O)c2=O |r|
BDBM50512414 [H][C@@]1(C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CC\C=C(/C)C(O)=O |r,c:26,t:10|
BDBM50512202 NCCNc1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F
BDBM50512203 NC[C@@H]1CCN(C1)c1ccc2c(c1)n(Cc1ccc(cc1)-n1cccn1)cc(C(O)=O)c2=O |r|
BDBM50512204 COc1c(NCCN)c(F)cc2c1n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O
BDBM50512205 N[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512208 COC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2)c2c(OC)c(N3CC[C@@H](CN)C3)c(F)cc2c1=O |r|
BDBM50512210 OC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2)c2cc(N3CC4CNCC4C3)c(F)cc2c1=O
BDBM50512211 CNC[C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O |r|
BDBM50512213 CNCCCNc1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F
BDBM50512215 [H][C@@]12CN(C[C@]1([H])CNCC2)c1cc2n(Cc3ccc(cc3)-n3cccn3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512216 CNCCNc1c(F)cc2c(c1OC)n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O
BDBM50512218 OC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2)c2cc(NC[C@H]3CCNC3)c(F)cc2c1=O |r|
BDBM50512219 [H][C@@]12CN(C[C@]1([H])CNCC2)c1cc2n(Cc3ccc(cc3)-c3ccccc3)cc(C(O)=O)c(=O)c2cc1F |r|
BDBM50512221 COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1n(Cc1cc(no1)-c1ccccc1)cc(C(O)=O)c2=O |r|
BDBM50520811 COc1ccc(cc1)[C@@H]1C[C@H](c2ccc(C)cc2)c2cccc(P(c3ccccc3)c3ccccc3)c2N1 |r|
BDBM50520812 Fc1ccc(cc1)-c1cc(nc2c(cccc12)P(=O)(c1ccccc1)c1ccccc1)-c1ccc(F)c(F)c1
BDBM50510237 COc1cccc(c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510238 CCOC(=O)c1cnc2ccc(cc2c1NCCCn1ccnc1)-c1ccc(OC)c(OC)c1
BDBM50510241 COc1ccccc1-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510244 COc1ccc(c(C)c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510250 COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCn3ccnc3)c2c1
BDBM50510251 C(CNc1c(cnc2ccc(cc12)-c1ccccc1)-c1nnco1)Cn1ccnc1
BDBM50510256 Fc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50510257 COc1ccc(c(OC)c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50520810 Fc1ccc(cc1)[C@H]1C[C@H](Nc2c1cccc2P(c1ccccc1)c1ccccc1)c1ccccc1 |r|
BDBM50520813 Fc1ccc(cc1)-c1cc(nc2c(cccc12)P(=S)(c1ccccc1)c1ccccc1)-c1ccc(cc1)C(F)(F)F
BDBM50520814 Cc1ccc(cc1)[C@H]1C[C@H](Nc2c1cccc2P(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
BDBM50512206 COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O |r|
BDBM50534269 OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3c(O)cccc3c21 |r|
BDBM50510248 COc1ccc(cc1)-c1ccc2ncc(-c3nnc(C)o3)c(NCCN3CCOCC3)c2c1
BDBM50510249 COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCOCC3)c2c1
BDBM50557284 CN(C)CCn1c2cc3OCOc3cc2c2c1c1ccc(Cl)cc1n(CCN(C)C)c2=O
BDBM50561016 Cl.Cl.Cl.CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(O)cc1
BDBM50562428 COc1cc(\C=C(/C#N)c2nc3cc(ccc3[nH]2)[N+]([O-])=O)ccc1O
BDBM50562429 COc1cc(\C=C(/C#N)c2nc3cc(ccc3[nH]2)[N+]([O-])=O)cc(OC)c1OC
BDBM50562430 COc1cc(\C=c2/sc3nc4ccc(cc4n3c2=O)[N+]([O-])=O)ccc1O
BDBM50562431 COc1cc(\C=c2/sc3nc4ccc(cc4n3c2=O)[N+]([O-])=O)cc(OC)c1OC
BDBM50562432 COc1cc(\C=c2/sc3nc4ccc(NC(C)=O)cc4n3c2=O)ccc1O
BDBM50562433 COc1cc(\C=c2/sc3nc4ccc(NC(C)=O)cc4n3c2=O)cc(OC)c1OC
BDBM50562434 COc1cc(cc(OC)c1OC)-c1csc2nc3ccc(cc3n12)[N+]([O-])=O
BDBM50562435 COc1cc(cc(OC)c1OC)-c1csc2nc3ccc(N)cc3n12
BDBM50565242 Nc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
BDBM50565243 COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3cccc3)c2c1
BDBM50565244 COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCCC3)c2c1
BDBM50569355 O=C1C=CC(=O)c2cc(Oc3ccco3)ccc12 |c:2|
BDBM50569356 O=C1C=CC(=O)c2cc(Oc3cccs3)ccc12 |c:2|
BDBM50569354 CC(=O)Oc1ccc2C(=O)C=CC(=O)c2c1 |c:10|
BDBM50569357 Cc1ccc(cc1)S(=O)(=O)Oc1ccc2C(=O)C=CC(=O)c2c1 |c:18|
BDBM50569358 COc1cccc2C(=O)C=CC(=O)c12 |c:9|
BDBM50569359 O=C(Oc1cccc2C(=O)C=CC(=O)c12)c1ccccc1 |c:10|
BDBM50569360 O=C1C=CC(=O)c2c(Oc3cccs3)cccc12 |c:2|
BDBM50569361 CS(=O)(=O)Oc1cccc2C(=O)C=CC(=O)c12 |c:12|
BDBM50569353 O=C1C=CC(=O)c2cc(OCc3ccccc3)ccc12 |c:2|
BDBM50580866 COc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
BDBM50580872 COc1ccc(NC(=O)c2ccccc2Nc2cccc(c2)C(F)(F)F)cc1
BDBM50580873 COc1ccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2C)cc1
BDBM50580874 COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2)cc1
BDBM50580867 COc1ccc(CNC(=O)c2ccccc2Nc2ccccc2)cc1
BDBM50580868 COc1ccc(CCNC(=O)c2ccccc2Nc2ccccc2)cc1
BDBM50580885 COc1ccc(NC(=O)c2ccccc2Nc2cccc(c2)C(F)(F)F)cc1OC
BDBM50580875 COc1ccc(NC(=O)c2ncccc2Nc2cccc(c2)C(F)(F)F)cc1
BDBM50580876 COc1ccc(NC(=O)c2ccccc2NCc2ccccc2)cc1
BDBM50580877 COc1ccc(NC(=O)c2ccccc2Nc2cccc(C)c2C)cc1OC
BDBM50580878 COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc1OC
BDBM50580879 COc1cc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc(OC)c1OC
BDBM50580869 COc1ccc(CCCNC(=O)c2ccccc2Nc2ccccc2)cc1
BDBM50580870 COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc1
BDBM50580871 COc1ccc(NC(=O)c2ccccc2Nc2cccc(C)c2C)cc1
BDBM50580880 Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
BDBM50580881 COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)c(OC)c1
BDBM50580882 CSc1ccc(NC(=O)c2ccccc2Nc2cccc(c2)C(F)(F)F)cc1
BDBM50580883 COc1cc(NC(=O)c2ccccc2Nc2cccc(c2)C(F)(F)F)cc(OC)c1OC
BDBM50580884 FC(F)(F)c1cccc(Nc2ccccc2C(=O)Nc2ccc3OCOc3c2)c1
BDBM50591645 ONC(=O)CCCCCOc1ccc(cc1)-c1nc2ccccc2c2cc(nn12)-c1ccccc1
BDBM50598192 Cc1ccc(C\N=C2/NC(=O)\C(S2)=C2/CCNC(=O)c3[nH]c4ccccc4c23)cc1
BDBM50598193 Cc1ccc(C\N=C2/NC(=O)\C(S2)=C2/CCNC(=O)c3[nH]ccc23)cc1
BDBM50598765 Cc1c(Cl)cccc1Nc1ccc(F)cc1C(=O)NCc1ccc(O)c(O)c1
BDBM50598766 Cc1c(Cl)cccc1Nc1ccc(F)cc1C(=O)NCc1ccc(O)c(F)c1
BDBM50164198 OC1[C@@H](O)C(CF)OC(C1O)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12 |r|
BDBM50610934 CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccno1
BDBM50410829 NC1=C(C#N)C(c2ccccc2O1)c1cc2ccccc2n2nnnc12 |c:1|
BDBM50610582 CN(C)CCNc1nc2cc(O)ccc2c2-c3ccccc3C(=O)c12
BDBM50610583 CN(C)CCCO\N=C1/c2cc(OCCCN(C)C)ccc2-c2cnc3ccccc3c12
BDBM50610584 NC1=C(C#N)C(c2ccc3ccccc3c2O1)c1cc2ccccc2n2nnnc12 |c:1|
BDBM50610759 Oc1cccc(c1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NNC(=S)Nc1ccc(Br)cc1
BDBM50610760 CSc1nnc(o1)-c1cc2c3ccccc3[nH]c2c(n1)-c1cccc(O)c1
BDBM50610761 Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1cc2c3ccccc3[nH]c2c(n1)-c1cccc(O)c1