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9327 SMILES Strings for Acetylcholinesterase

Compound NameSMILES String
BDBM50443326 COc1cc2CCN(C)[C@H]3[C@H]4O\C(=C/C[C@H](O)C[C@H]4O)c(c1OC)c23 |r,c:12|
BDBM50443367 COc1cc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)[Se](=O)c2cc1OC
BDBM50443368 COc1cc2[se]n(CCCCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC
BDBM50443369 COc1cc2[se]n(CCCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC
BDBM50443370 COc1cc2[se]n(CCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC
BDBM50443374 COc1cc2[se]n(CC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC
BDBM50443371 Clc1ccc2c(c1)[se]n(CCC1CCN(Cc3ccccc3)CC1)c2=O
BDBM50443372 Fc1ccc2c(c1)[se]n(CCC1CCN(Cc3ccccc3)CC1)c2=O
BDBM50443373 O=c1n(CCC2CCN(Cc3ccccc3)CC2)[se]c2ccccc12
BDBM50443375 Clc1ccc2c(c1)[se]n(CC1CCN(Cc3ccccc3)CC1)c2=O
BDBM50443376 Fc1ccc2c(c1)[se]n(CC1CCN(Cc3ccccc3)CC1)c2=O
BDBM50443377 O=c1n(CC2CCN(Cc3ccccc3)CC2)[se]c2ccccc12
BDBM50443378 COc1cc2[se]n(C3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC
BDBM50443379 Clc1ccc2c(c1)[se]n(C1CCN(Cc3ccccc3)CC1)c2=O
BDBM50443380 Fc1ccc2c(c1)[se]n(C1CCN(Cc3ccccc3)CC1)c2=O
BDBM50443381 O=c1n([se]c2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50310439 CCCCCCCCCCCCCCC(N(C)C)c1cccc(OC(=O)N(C)C)c1
BDBM9089 Nc1c2Cc3cc(Cl)ccc3-c2nc2ccccc12
BDBM8978 CCCC(=O)SCC[N+](C)(C)C
BDBM9061 C(CCCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
BDBM9074 Nc1c2Cc3ccccc3-c2nc2ccccc12
BDBM9083 Nc1ccc2c(N)c3Cc4ccccc4-c3nc2c1
BDBM9421 CN(CCC1CCNCC1)C(=O)c1ccccc1
BDBM10723 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
BDBM10704 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Cc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33|
BDBM10722 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCN2CCOCC2)c1
BDBM10705 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(COc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34|
BDBM10706 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(CCc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34|
BDBM10724 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCCN2CCOCC2)c1
BDBM10700 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2c3ccccc3cc3ccccc23)c1 |w:31.33|
BDBM10725 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCCCN2CCOCC2)c1
BDBM10739 CN(C)C(=O)Oc1cccc2CCC(N)c12
BDBM10697 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33|
BDBM10590 CN(CCCNc1c2CCCCc2nc2cc(Cl)ccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3 |t:46|
BDBM10585 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
BDBM19102 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)C(C)C)[C@@]3(C)CO |r|
BDBM10582 CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:2|
BDBM19124 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)[C@@H](C)CC)[C@@]3(C)CN |r|
BDBM10595 COC(=O)C12CC(CC(C=C(C)C1)C2=CC)NCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:9,THB:14:13:9.10.12:7.5.6,11:10:13:7.5.6,16:6:13:9.10.12|
BDBM10619 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4OCC[C@@]4(C)c3c2)cc1 |r|
BDBM10630 CC(N(C)C)c1cccc(O)c1
BDBM19105 [H][C@@]12CC3=CC[C@H](NC(=O)C(C)CC)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
BDBM19120 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(=O)C(C)(C)C)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
BDBM10593 CC=C1C2C=C(C)CC1(N)CC(NCCCCCCCNc1c3CCCCc3nc3ccccc13)C2(C)C |t:4,TLB:1:2:4.5.7:35.10.11,6:5:2:35.10.11,12:11:2:4.5.7|
BDBM19119 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(C)=O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
BDBM19123 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)C(C)C)[C@@]3(C)CN |r|
BDBM10586 CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3 |t:45|
BDBM19126 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)[C@@H](C)CC |r,c:32|
BDBM19104 [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
BDBM19114 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C1CCCCC1 |r,c:7,t:3|
BDBM10423 COc1ccc2CN(CCCCCCCCCCCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:27|
BDBM50443669 COc1ccc(\C=C2/COc3cc(O)ccc3C2=O)cc1
BDBM50443670 COc1ccc(CC2COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443671 COc1ccc(\C=C2/COc3cc(OCCCCCCCCNc4c5CCCCc5nc5cc(Cl)ccc45)ccc3C2=O)cc1
BDBM50443672 COc1ccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5cc(Cl)ccc45)ccc3C2=O)cc1
BDBM50443673 COc1cc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc(OC)c1OC
BDBM50444286 COc1cc2[se]n(CCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c2cc1OC
BDBM50444287 O=c1n(CCCCCCCCCNc2c3CCCCc3nc3ccccc23)[se]c2ccccc12
BDBM50444288 O=c1n(CCCCCCCCNc2c3CCCCc3nc3ccccc23)[se]c2ccccc12
BDBM50444289 O=c1n(CCCCCCCNc2c3CCCCc3nc3ccccc23)[se]c2ccccc12
BDBM50444290 O=c1n(CCCCCCNc2c3CCCCc3nc3ccccc23)[se]c2ccccc12
BDBM50444291 O=c1n(CCCCCNc2c3CCCCc3nc3ccccc23)[se]c2ccccc12
BDBM50444292 O=c1n(CCCCNc2c3CCCCc3nc3ccccc23)[se]c2ccccc12
BDBM50444293 O=c1n(CCCNc2c3CCCCc3nc3ccccc23)[se]c2ccccc12
BDBM50444294 O=c1n(CCNc2c3CCCCc3nc3ccccc23)[se]c2ccccc12
BDBM50443677 CCN(CC)c1ccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443674 COc1ccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1OC
BDBM50443675 COc1ccccc1\C=C1/COc2cc(OCCCCCCNc3c4CCCCc4nc4ccccc34)ccc2C1=O
BDBM50443676 COc1cccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)c1
BDBM50443678 Clc1ccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443679 Fc1ccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443680 Cc1ccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443681 CN(C)c1ccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443682 COc1ccc(\C=C2/COc3cc(OCCCCCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443683 COc1ccc(\C=C2/COc3cc(OCCCCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443684 COc1ccc(\C=C2/COc3cc(OCCCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443685 COc1ccc(\C=C2/COc3cc(OCCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443686 COc1ccc(\C=C2/COc3cc(OCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
BDBM50443692 CCN(CC)CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C
BDBM50443693 CN(CCCCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1
BDBM50443694 CN(CCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1
BDBM50443695 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCCCN3CCCCC3)cc2o1
BDBM50443696 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCCCN3CCCC3)cc2o1
BDBM50443697 CCN(CC)CCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C
BDBM50443698 CN(CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1
BDBM50443699 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCCC3)cc2o1
BDBM50443700 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1
BDBM50443701 CN(CCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1
BDBM50443702 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCN3CCCCC3)cc2o1
BDBM50443703 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCN3CCCC3)cc2o1
BDBM50443704 CCN(CC)CCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C
BDBM50443705 CN(CCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1
BDBM50443706 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCOCC3)cc2o1
BDBM50443707 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCCCC3)cc2o1
BDBM50443708 CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCCC3)cc2o1
BDBM50443709 CCN(CC)CCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C
BDBM10589 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1|
BDBM19129 [H][C@@]12CC3=CC[C@@H]4N=C(NC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3|
BDBM19106 [H][C@@]12CC3=CC[C@H](NC(=O)C(CC)CC)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
BDBM19115 [H][C@@]12CC3=CC[C@@H]4N=C(Cc5ccccc5)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7|
BDBM50446576 COc1c(Br)cc(CC(=O)NCCCCC[N+](C)(C)C)cc1Br
BDBM50446577 COc1c(Br)cc(cc1Br)C(=O)OCC[N+](C)(C)C
BDBM50446578 CC(C)NCCCOc1cc2ccc(=O)oc2cc1O
BDBM50446579 Oc1cc2oc(=O)ccc2cc1OCCCN1CCCCC1
BDBM50446580 Oc1cc2oc(=O)ccc2cc1OCCCN1CCCC1
BDBM50446581 CCN(CC)CCCOc1cc2ccc(=O)oc2cc1O
BDBM50446582 Oc1cc2oc(=O)ccc2cc1OCCN1CCCCC1
BDBM50446583 Oc1cc2oc(=O)ccc2cc1OCCN1CCCC1
BDBM50446584 CCN(CC)CCOc1cc2ccc(=O)oc2cc1O
BDBM19112 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(CC)CC |r,c:7,t:3|
BDBM19128 [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(CN)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
BDBM50445692 Cc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(C)cc2)cc1
BDBM50445693 COc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1OC
BDBM50445694 Clc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1Cl
BDBM50445695 S=C1NC2C(CNC\C2=C/c2ccccc2)C(N1)c1ccccc1
BDBM50445696 COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccc(F)cc3)C(N12)c1ccc(F)cc1 |t:9,12,14|
BDBM50445697 COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccc(Cl)cc3)C(N12)c1ccc(Cl)cc1 |t:9,12,14|
BDBM50445698 COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccc(C)cc3)C(N12)c1ccc(C)cc1 |t:9,12,14|
BDBM50445699 COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3OC)C(N12)c1ccccc1OC |t:9,12,14|
BDBM50445700 COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3Cl)C(N12)c1ccccc1Cl |t:9,12,14|
BDBM50445701 COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3)C(N12)c1ccccc1 |t:9,12,14|
BDBM50445702 Fc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 |c:10,16,t:13|
BDBM50445703 Clc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 |c:10,16,t:13|
BDBM50445704 Cc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 |c:10,16,t:13|
BDBM50445705 COc1ccccc1\C=C1/CNCC2=C1N=C1SC=C(N1C2c1ccccc1OC)c1ccc(Cl)cc1 |c:14,20,t:17|
BDBM50445706 Clc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3Cl)C(N12)c1ccccc1Cl |t:8,11,13|
BDBM50445707 Clc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3)C(N12)c1ccccc1 |t:8,11,13|
BDBM50445708 Fc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(F)cc2)c2ccc(F)cc2)cc1 |c:10,16,t:13|
BDBM50445709 Fc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccc(Cl)cc3)C(N12)c1ccc(Cl)cc1 |t:8,11,13|
BDBM50445710 Cc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccc(F)cc2)cc1 |c:10,16,t:13|
BDBM50445711 COc1ccccc1\C=C1/CNCC2=C1N=C1SC=C(N1C2c1ccccc1OC)c1ccc(F)cc1 |c:14,20,t:17|
BDBM50445712 Fc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3Cl)C(N12)c1ccccc1Cl |t:8,11,13|
BDBM50445713 Fc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3)C(N12)c1ccccc1 |t:8,11,13|
BDBM50445714 Fc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(F)cc2)c2ccccc2)cc1 |c:10,16,t:13|
BDBM50445715 Clc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(Cl)cc2)c2ccccc2)cc1 |c:10,16,t:13|
BDBM50445716 Cc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccccc2)cc1 |c:10,16,t:13|
BDBM50445717 COc1ccccc1\C=C1/CNCC2=C1N=C1SC=C(N1C2c1ccccc1OC)c1ccccc1 |c:14,20,t:17|
BDBM50445718 Clc1ccccc1\C=C1/CNCC2=C1N=C1SC=C(N1C2c1ccccc1Cl)c1ccccc1 |c:13,19,t:16|
BDBM50445719 C1NCC2=C(N=C3SC=C(N3C2c2ccccc2)c2ccccc2)\C1=C\c1ccccc1 |c:8,t:3,5|
BDBM50445720 Fc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(F)cc2)cc1
BDBM50445721 Clc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(Cl)cc2)cc1
BDBM22782 ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O |c:1,t:7|
BDBM22783 OCN1C(=O)C(=O)c2ccccc12
BDBM10413 COc1ccc2CN(CCCCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36|
BDBM22788 ClCC(=O)N1C(=O)C(=O)c2ccccc12
BDBM10418 COc1ccc2C=[N+](CCCCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,t:6|
BDBM10431 C[N+]1=Cc2ccc(OCCCCCCCCCCCCN3C(=O)c4ccccc4C3=O)c3O[C@H]4C[C@@H](O)C=C[C@@]4(CC1)c23 |r,c:39,t:1|
BDBM12342 O=c1ccc2ccccc2o1
BDBM10493 Cc1nc2cccc(F)c2c(N)c1CO
BDBM10427 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCCCCCN1C(=O)c2ccccc2C1=O |r,c:5|
BDBM10434 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCCCCC[N+](C)(C)C |r,c:5|
BDBM10441 C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
BDBM50448214 COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
BDBM50448215 CN(C)c1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
BDBM50448216 Cc1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
BDBM50448217 COc1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12
BDBM50448218 Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(Br)cc3)c12
BDBM50448219 Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(F)cc3)c12
BDBM50448220 Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccccc3)c12
BDBM10797 CN(C)C(=O)Oc1cccc(CCN)c1
BDBM50448444 NCCc1c([nH]c2ccc(O)cc12)C(C(O)CO)c1c[nH]c2ccccc12
BDBM50448445 CN(C)CCc1c([nH]c2ccc(O)cc12)C(C(O)CO)c1c[nH]c2ccccc12
BDBM50447959 COc1cc2[se]n(-c3ccc(OCCCCN4CCCCC4)cc3)c(=O)c2cc1OC
BDBM50447960 COc1cc2[se]n(-c3ccc(OCCCN4CCCCC4)cc3)c(=O)c2cc1OC
BDBM50447961 COc1cc2[se]n(-c3ccc(OCCN4CCCCC4)cc3)c(=O)c2cc1OC
BDBM50447962 COc1cc2[se]n(-c3ccc(CCN4CCCCC4)cc3)c(=O)c2cc1OC
BDBM50447963 COc1cc2[se]n(-c3ccc(CCN4CCCC4)cc3)c(=O)c2cc1OC
BDBM50447964 COc1cc2[se]n(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)c2cc1OC
BDBM50447965 COc1cc2[se]n(-c3ccc(CN4CCCCC4)cc3)c(=O)c2cc1OC
BDBM50447966 COc1cc2[se]n(-c3ccc(CN4CCCC4)cc3)c(=O)c2cc1OC
BDBM50447967 O=c1n([se]c2ccccc12)-c1ccc(OCCN2CCCCC2)cc1
BDBM50447968 O=c1n([se]c2ccccc12)-c1ccc(CCN2CCCC2)cc1
BDBM50447969 O=c1n([se]c2ccccc12)-c1ccc(CN2CCCCC2)cc1
BDBM22746 BrCc1ccc(cc1)C(=O)C(=O)c1ccccc1
BDBM50448130 CCNCc1ccc2nc(c3CCCNc3c2c1)-c1ccc(Cl)cc1
BDBM50448131 CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1
BDBM50448132 CCNCc1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
BDBM50448133 CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCC(=O)N(Cc4ccccc4)c3c2c1
BDBM50448134 CCNCc1ccc2nc(c3CCCNc3c2c1)-c1cccnc1
BDBM50448135 CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCNc3c2c1
BDBM50448136 CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
BDBM50448137 CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccc(OC)cc4)c3c2c1
BDBM50448138 CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1
BDBM50448139 CCOC(=O)c1ccc2nc(-c3ccc(cc3)C(=O)OC)c3CCCN(Cc4ccccc4)c3c2c1
BDBM50448140 CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCN(Cc4ccccc4)c3c2c1
BDBM50448141 CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1
BDBM50448142 CCOC(=O)c1ccc2nc(-c3ccc(cc3)C(=O)OC)c3CCC(=O)N(Cc4ccccc4)c3c2c1
BDBM50448143 CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCC(=O)N(Cc4ccccc4)c3c2c1
BDBM31894 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM31900 Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
BDBM22768 CC1C(=O)CCC1=O
BDBM24709 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
BDBM31895 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM10470 C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
BDBM22763 CC(=O)CCC(=O)c1ccccc1
BDBM22818 CC(=C)CN1C(=O)C(=O)c2cc(Br)ccc12
BDBM22735 Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
BDBM22774 O=C1C=CC(=O)C=C1 |c:2,6|
BDBM31899 Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
BDBM31897 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM22739 Cc1ccc(cc1)C(=O)C(=O)c1ccccc1
BDBM22835 Cc1ccc(Cl)c2C(=O)C(=O)Nc12
BDBM22836 Cc1cc(Cl)cc2C(=O)C(=O)Nc12
BDBM22725 CC(=O)C(C)=O
BDBM22826 OC(=O)c1cccc2C(=O)C(=O)Nc12
BDBM31901 Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
BDBM31896 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM22840 O=C1N(CN2CCCCC2)c2ccccc2C1=O
BDBM22860 O=C1C(=O)c2cccnc2-c2ncccc12
BDBM22833 Clc1cc2C(=O)C(=O)Nc2c(Cl)c1
BDBM23411 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
BDBM22809 Clc1cccc2NC(=O)C(=O)c12
BDBM32203 Oc1cccc2cccnc12
BDBM34233 O=c1n([se]c2ccccc12)-c1ccccc1
BDBM4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4375 OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM9350 COc1ccc2c(N)c3C(O)CCCc3nc2c1
BDBM9348 Nc1c2C(O)CCCc2nc2ccc(Cl)cc12
BDBM9417 CN(CCC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)C(=O)c1ccccc1
BDBM9349 Nc1c2C(O)CCCc2nc2cc(Cl)ccc12
BDBM9347 Nc1c2C(O)CCCc2nc2ccccc12
BDBM9366 OC1CCCc2nc3ccccc3c(NCc3ccccc3F)c12
BDBM9381 OC1CCCc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c12
BDBM9386 Cc1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9376 OC1CCCc2nc3ccccc3c(NCc3cccc(c3)C(F)(F)F)c12
BDBM9377 OC1CCCc2nc3ccccc3c(NCc3ccc(cc3)C(F)(F)F)c12
BDBM9382 OC1CCCc2nc3cc(F)ccc3c(NCc3ccccc3)c12
BDBM9390 [O-][N+](=O)c1cccc(c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9401 [O-][n+]1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9394 Clc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9391 [O-][N+](=O)c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9357 OC1CCCc2nc3ccccc3c(NCCc3ccccc3)c12
BDBM9383 OC1CCCc2nc3cc(F)ccc3c(NCc3ccccc3C(F)(F)F)c12
BDBM9395 Fc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9380 OC1CCCc2nc3cc(Cl)ccc3c(NCc3ccccc3)c12
BDBM9361 OC1CCCc2nc3ccccc3c(NCCCC(c3cccc(F)c3)c3cccc(F)c3)c12
BDBM9399 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cccnc1
BDBM9384 OC1CCCc2nc3cc(ccc3c(NCc3ccccc3)c12)C(F)(F)F
BDBM9419 CN(CCC1CCN(C\C=C\c2ccccc2)CC1)C(=O)c1ccccc1
BDBM9410 CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
BDBM9414 CN(CCC1CCN(Cc2ccc(C)cc2)CC1)C(=O)c1ccccc1
BDBM9442 C(CCCCNc1ccnc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
BDBM9423 CN(CCC1CCN(CC2CCCCC2)CC1)C(=O)c1ccccc1
BDBM9437 C(CCCCNc1ccncc1)CCCCNc1c2CCCCc2nc2ccccc12
BDBM9424 CN(CCC1CCN(CC23CC4CC(CC(C4)C2)C3)CC1)C(=O)c1ccccc1 |TLB:12:13:17:10.11.16,16:11:18:17.15.14,16:15:18:10.11.12,THB:12:11:17:18.13.14,14:13:10:17.16.15,14:15:10:18.12.13|
BDBM9428 NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9441 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1ccnc2ccccc12
BDBM9403 O=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM9415 CN(CCC1CCN(Cc2ccccc2[N+]([O-])=O)CC1)C(=O)c1ccccc1
BDBM9404 C(CC1CCN(Cc2ccccc2)CC1)NCc1ccccc1
BDBM9407 O=C(N(CCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1)c1ccccc1
BDBM9367 OC1CCCc2nc3ccccc3c(NCc3cccc(F)c3)c12
BDBM9371 COc1ccc(CNc2c3C(O)CCCc3nc3ccccc23)cc1
BDBM9363 OC1CCCc2nc3ccccc3c(NCc3ccccc3Cl)c12
BDBM9358 OC1CCCc2nc3ccccc3c(NCCCOc3ccccc3)c12
BDBM9434 CN(C)CCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9354 CNc1c2C(O)CCCc2nc2ccccc12
BDBM9364 OC1CCCc2nc3ccccc3c(NCc3cccc(Cl)c3)c12
BDBM9413 CN(CCC1CCN(Cc2cccc(C)c2)CC1)C(=O)c1ccccc1
BDBM9408 O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
BDBM9416 CN(CCC1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1)C(=O)c1ccccc1
BDBM9411 O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
BDBM9388 Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9389 [O-][N+](=O)c1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9392 COc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9393 O=Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9396 CC(=O)c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9402 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCCCC1
BDBM9405 CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
BDBM9406 CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
BDBM9378 OC1CCCc2nc3ccccc3c(NCc3c(F)c(F)c(F)c(F)c3F)c12
BDBM9355 CCCNc1c2C(O)CCCc2nc2ccccc12
BDBM9362 OC1CCCc2nc3ccccc3c(NCc3ccccc3)c12
BDBM9397 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
BDBM9398 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccn1
BDBM9372 Cc1ccccc1CNc1c2C(O)CCCc2nc2ccccc12
BDBM9373 Cc1cccc(CNc2c3C(O)CCCc3nc3ccccc23)c1
BDBM9412 CN(CCC1CCN(Cc2ccccc2C)CC1)C(=O)c1ccccc1
BDBM9374 Cc1ccc(CNc2c3C(O)CCCc3nc3ccccc23)cc1
BDBM9385 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM9418 CN(CCC1CCN(CCc2ccccc2)CC1)C(=O)c1ccccc1
BDBM9431 CN(C)CCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9430 CN(C)CCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9375 OC1CCCc2nc3ccccc3c(NCc3ccccc3C(F)(F)F)c12
BDBM9439 C(CCCCCCNc1c2CCCCc2nc2ccccc12)CCCCCNc1ccncc1
BDBM9427 NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9400 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccncc1
BDBM9370 COc1cccc(CNc2c3C(O)CCCc3nc3ccccc23)c1
BDBM9353 Nc1c2C(O)CCc2nc2ccccc12
BDBM9368 OC1CCCc2nc3ccccc3c(NCc3ccc(F)cc3)c12
BDBM9387 Cc1cccc(c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9369 COc1ccccc1CNc1c2C(O)CCCc2nc2ccccc12
BDBM9356 CN(C)CCNc1c2C(O)CCCc2nc2ccccc12
BDBM9090 CCCCCCCNc1c2Cc3ccccc3-c2nc2ccccc12
BDBM9352 Nc1c2C(O)CCCc2nc2cc(F)ccc12
BDBM8961 Nc1c2CCCCc2nc2ccccc12
BDBM9429 NCCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9433 CN(C)CCCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9360 OC1CCCc2nc3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c12
BDBM9359 OC1CCCc2nc3ccccc3c(NCCCC(c3ccccc3)c3ccccc3)c12
BDBM9409 CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
BDBM9365 OC1CCCc2nc3ccccc3c(NCc3ccc(Cl)cc3)c12
BDBM9351 Nc1c2C(O)CCCc2nc2cc(ccc12)C(F)(F)F
BDBM9379 OC1CCCc2nc3ccccc3c(NCc3cccs3)c12
BDBM9440 C(CCCNc1ccnc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9420 CN(CCC1CCN(CC1)C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM9425 NCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9016 COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1
BDBM9000 CCCCCCCNc1c2CCCCc2nc2ccc(C)cc12
BDBM8997 Clc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
BDBM9019 COc1ccc2[nH]cc(CCNC(C)=O)c2c1
BDBM9432 CN(C)CCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9422 CN(CCC1CCN(CC2CC2)CC1)C(=O)c1ccccc1
BDBM9063 COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
BDBM8958 CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
BDBM9087 Cc1cccc-2c1Cc1c-2nc2ccccc2c1N
BDBM9066 Clc1ccc2c(NCCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM8998 [O-][N+](=O)c1ccc2nc3CCCCc3c(NCc3ccccc3)c2c1
BDBM9075 Nc1c2Cc3ccccc3-c2nc2cc(F)ccc12
BDBM9047 C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
BDBM8979 O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
BDBM9436 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1ccncc1
BDBM9088 Cc1ccc2Cc3c(nc4ccccc4c3N)-c2c1
BDBM9438 C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1ccncc1
BDBM9426 NCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM9435 C(CCCNc1ccncc1)CCCNc1c2CCCCc2nc2ccccc12
BDBM9032 Clc1ccc2c(NCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM8975 CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
BDBM9050 Fc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
BDBM9033 Clc1ccc2c(NCCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM10942 CN(CCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:30,56,TLB:35:36:38.39.45:50.48.47,13:14:16.17.23:28.26.25,44:45:36:50.48.47,22:23:14:28.26.25,THB:18:17:14:28.26.25,40:39:36:50.48.47,49:48:36:38.39.45,27:26:14:16.17.23|
BDBM11022 O=C1Nc2ccccc2C1=O
BDBM9086 COc1ccc2Cc3c(nc4ccccc4c3N)-c2c1
BDBM9031 Clc1ccc2c(NCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9058 C(CCCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
BDBM9005 CCCCCCCNc1c2CCCCc2nc2cc(F)ccc12
BDBM8988 Nc1c2CCCCc2nc2ccc(cc12)[N+]([O-])=O
BDBM8989 Nc1c2CCCCc2nc2cc(ccc12)[N+]([O-])=O
BDBM9057 C(CCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
BDBM9041 Clc1ccc2c(NCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9024 Clc1ccc2c(NCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM8992 Nc1c2CCCCc2nc2cc(F)ccc12
BDBM8993 Nc1c2CCCCc2nc2cc(Cl)c(Cl)cc12
BDBM8972 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCSc1c2CCCCc2nc2ccccc12
BDBM9078 C(Nc1c2Cc3ccccc3-c2nc2ccccc12)c1ccccc1
BDBM9043 Clc1ccc2c(NCCCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9035 Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM10941 CN(CCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:29,55,TLB:34:35:37.38.44:49.47.46,12:13:15.16.22:27.25.24,43:44:35:49.47.46,21:22:13:27.25.24,THB:17:16:13:27.25.24,39:38:35:49.47.46,48:47:35:37.38.44,26:25:13:15.16.22|
BDBM8967 C=CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9070 O=C1N(CCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
BDBM8977 CC(=O)N(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9002 CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM8980 O=C(CNc1c2CCCCc2nc2ccccc12)NCC1CCN(Cc2ccccc2)CC1
BDBM8960 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM15579 C[C@H](Cc1ccccc1)N(C)CC#C |r|
BDBM8970 C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
BDBM9072 O=C1N(CCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
BDBM9062 COc1cc2CC(CNCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
BDBM9008 Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9038 Clc1ccc2c(NCCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9060 C(CCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
BDBM8964 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9010 Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
BDBM9084 Nc1c2Cc3ccccc3-c2nc2cc(Cl)ccc12
BDBM9085 COc1ccc-2c(Cc3c-2nc2ccccc2c3N)c1
BDBM9011 Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9054 Clc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
BDBM9003 CCCCCCCNc1c2CCCCc2nc2cc(ccc12)[N+]([O-])=O
BDBM9055 Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
BDBM9017 COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
BDBM9018 Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
BDBM8973 C(CCCCc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9006 O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
BDBM8984 Cc1ccc2nc3CCCCc3c(N)c2c1
BDBM8985 Cc1ccc2c(N)c3CCCCc3nc2c1
BDBM9022 Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM8974 CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
BDBM8965 CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9076 COc1cccc-2c1Cc1c-2nc2ccccc2c1N
BDBM9077 Nc1c2Cc3cc(F)ccc3-c2nc2ccccc12
BDBM9039 Cn1cc(C(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccccc12
BDBM9073 O=C1N(CCCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
BDBM9052 Fc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
BDBM8996 Cc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
BDBM9040 Clc1ccc2c(NCCCCCCCNC(=O)c3n[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9059 C(CCCNc1c2CCCCCc2nc2ccccc12)CCNc1c2CCCCCc2nc2ccccc12
BDBM9009 Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM8994 COc1cc2nc3CCCCc3c(N)c2cc1OC
BDBM8971 C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9082 Nc1c2Cc3ccccc3-c2nc2cc(ccc12)[N+]([O-])=O
BDBM8981 COc1ccc(cc1OC)C(=O)NCC(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM9027 CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9081 Nc1ccc2nc-3c(Cc4ccccc-34)c(N)c2c1
BDBM9044 C(CCCNc1c2CCCc2nc2ccccc12)CCNc1c2CCCc2nc2ccccc12
BDBM9036 Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c3CCCCc3nc2c1
BDBM9013 COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
BDBM8966 CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM8986 Nc1c2CCCCc2nc2ccc(Cl)cc12
BDBM8987 Nc1c2CCCCc2nc2cc(Cl)ccc12
BDBM9067 CN(CCCCNC(=O)CN1C(=O)c2ccccc2C1=O)CCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM9004 CCCCCCCNc1c2CCCCc2nc2cc(OC)ccc12
BDBM9051 Fc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
BDBM9045 C(CCCNc1c2CCCc2nc2ccccc12)CCCNc1c2CCCc2nc2ccccc12
BDBM9014 COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
BDBM9030 Clc1ccc2c(NCCCCCCNC(=O)\C=C\c3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM8963 C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9020 O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2CCCCc2nc2ccccc12
BDBM7457 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM8982 O=C(CNC1CCc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
BDBM8990 COc1ccc2c(N)c3CCCCc3nc2c1
BDBM8991 Nc1ccc2nc3CCCCc3c(N)c2c1
BDBM8983 O=C(CNC1c2ccccc2-c2[nH]c3ccccc3c12)NCCC1CCN(Cc2ccccc2)CC1
BDBM9053 Clc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
BDBM8968 OCCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9056 C(CCCNc1c2CCCCc2nc2ncccc12)CCNc1c2CCCCc2nc2ncccc12
BDBM9021 Clc1ccc2c(NCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9007 O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
BDBM9001 CCCCCCCNc1c2CCCCc2nc2cc(C)ccc12
BDBM9012 Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM8969 CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM9079 CNc1c2Cc3ccccc3-c2nc2ccccc12
BDBM9080 Nc1c2Cc3ccccc3-c2nc2ccc(cc12)[N+]([O-])=O
BDBM9042 Clc1ccc2c(NCCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM8995 Cc1ccc2nc3CCCCc3c(NCc3ccccc3)c2c1
BDBM9069 O=C1N(CCCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
BDBM9034 Clc1ccc2c(NCCCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9068 O=C1N(CCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
BDBM9037 Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9071 O=C1N(CCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
BDBM9023 Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM8962 C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
BDBM9064 O=C1C(CNCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
BDBM9046 C(CCCCNc1c2CCCc2nc2ccccc12)CCCNc1c2CCCc2nc2ccccc12
BDBM9026 Clc1ccc2c(NCCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM9065 Clc1ccc2c(NCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM8976 CN(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM9025 Clc1ccc2c(NCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
BDBM9015 COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1
BDBM9028 CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM10943 CN(CCCCCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:33,59,TLB:38:39:41.42.48:53.51.50,25:26:17:31.29.28,47:48:39:53.51.50,16:17:19.20.26:31.29.28,THB:21:20:17:31.29.28,43:42:39:53.51.50,30:29:17:19.20.26,52:51:39:41.42.48|
BDBM10986 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)c(C)cc1N2C |r|
BDBM10924 CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
BDBM10981 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(C)c(C)c3)ccc1N2C |r|
BDBM10939 CCCCNC(=O)Oc1cccc(CN(CCCOc2ccc3c(c2)oc2ccccc2c3=O)C(C)C)c1
BDBM10911 CNC(=O)Oc1cccc(CN(C)CCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10970 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3CC)ccc1N2C |r|
BDBM8999 [O-][N+](=O)c1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
BDBM10927 CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)occc3=O)c1
BDBM10940 CCCCCCCNC(=O)Oc1cccc(CN(CCCOc2ccc3c(c2)oc2ccccc2c3=O)C(C)C)c1
BDBM10972 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
BDBM10973 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3C(C)C)ccc1N2C |r|
BDBM10957 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCC)c1CC2 |r|
BDBM10965 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4)cc3[C@]1(C)CC[N@@+]2(C)O |r|
BDBM10926 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)occc3=O)c1
BDBM10925 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
BDBM10945 CN(CCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:34,61,TLB:40:41:43.44.50:55.53.52,17:18:20.21.27:32.30.29,49:50:41:55.53.52,26:27:18:32.30.29,THB:31:30:18:20.21.27,45:44:41:55.53.52,54:53:41:43.44.50,22:21:18:32.30.29|
BDBM10971 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CC)cc3[C@]1(C)CC[N@@+]2(C)O |r|
BDBM10958 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C |r|
BDBM10955 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCCCCCCC)c1OC2 |r|
BDBM10988 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)c(CN(C)C)cc1N2C |r|
BDBM10923 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
BDBM10928 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)occc3=O)c1
BDBM10956 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCC)c1OC2 |r|
BDBM10954 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC(C)c3ccccc3)c1OC2 |r|
BDBM10987 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)c(C)cc1N2C |r|
BDBM9029 Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1
BDBM10963 [H][C@@]12N(C)c3ccc(OC(=O)NC)cc3[C@]1(C)CC[N@@+]2(C)O |r|
BDBM15581 CN(CCCOc1ccc(Cl)cc1Cl)CC#C
BDBM10933 CCCCNC(=O)Oc1cccc(CN(CC)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10980 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3c(CC)cccc3CC)ccc1N2C |r|
BDBM10948 CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:40,67,TLB:46:47:49.50.56:61.59.58,55:56:47:61.59.58,23:24:26.27.33:38.36.35,32:33:24:38.36.35,THB:28:27:24:38.36.35,37:36:24:26.27.33,51:50:47:61.59.58,60:59:47:49.50.56|
BDBM19127 [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(\C=N\Cc4ccccc4)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
BDBM19111 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)CC |r,c:7,t:3|
BDBM10947 CN(CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:38,65,TLB:44:45:47.48.54:59.57.56,53:54:45:59.57.56,30:31:22:36.34.33,21:22:24.25.31:36.34.33,THB:35:34:22:24.25.31,49:48:45:59.57.56,26:25:22:36.34.33,58:57:45:47.48.54|
BDBM10936 CCCCNC(=O)Oc1cccc(CN(CCC)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10918 CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM19110 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3|
BDBM10976 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3C)ccc1N2C |r|
BDBM10946 CN(CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:36,63,TLB:42:43:45.46.52:57.55.54,51:52:43:57.55.54,28:29:20:34.32.31,19:20:22.23.29:34.32.31,THB:33:32:20:22.23.29,47:46:43:57.55.54,24:23:20:34.32.31,56:55:43:45.46.52|
BDBM10977 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(C)cc3C)ccc1N2C |r|
BDBM10979 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3c(C)cccc3C)ccc1N2C |r|
BDBM10932 CCN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NC)c1
BDBM10978 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cc(C)ccc3C)ccc1N2C |r|
BDBM10975 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(C)cc3)ccc1N2C |r|
BDBM10916 CCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10912 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10914 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM11023 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r|
BDBM10931 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
BDBM10917 CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10961 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3CC)ccc1N2C |r|
BDBM10944 CN(CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:35,61,TLB:40:41:43.44.50:55.53.52,18:19:21.22.28:33.31.30,49:50:41:55.53.52,27:28:19:33.31.30,THB:32:31:19:21.22.28,45:44:41:55.53.52,54:53:41:43.44.50,23:22:19:33.31.30|
BDBM10920 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
BDBM10982 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cc(C)cc(C)c3)ccc1N2C |r|
BDBM10983 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3c(C)cc(C)cc3C)ccc1N2C |r|
BDBM10960 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2C |r|
BDBM10930 CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
BDBM10950 CNC(=O)Oc1cccc(c1)C(C)N(C)C
BDBM10935 CCCN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NC)c1
BDBM26190 Oc1ccc(O)cc1
BDBM10984 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)N(C)C)ccc1N2C |r|
BDBM10921 CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
BDBM10919 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)Nc2ccccc2)c1
BDBM10962 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r|
BDBM10985 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)N(C)c3ccccc3)ccc1N2C |r|
BDBM10934 CCCCCCCNC(=O)Oc1cccc(CN(CC)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10959 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3C)ccc1N2C |r|
BDBM10968 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2C |r|
BDBM10938 CNC(=O)Oc1cccc(CN(CCCOc2ccc3c(c2)oc2ccccc2c3=O)C(C)C)c1
BDBM10969 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccc(cc4)C(C)C)cc3[C@]1(C)CC[N@@+]2(C)O |r|
BDBM10949 COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC
BDBM10974 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3)ccc1N2C |r|
BDBM10922 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
BDBM10951 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1OC2 |r|
BDBM10964 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C |r|
BDBM10952 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1CC2 |r|
BDBM10953 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1SC2 |r|
BDBM10929 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
BDBM10967 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C)cc3[C@]1(C)CC[N@@+]2(C)O |r|
BDBM10913 CNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10937 CCCCCCCNC(=O)Oc1cccc(CN(CCC)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM19117 [H][C@@]12CC3=CC[C@@H]4N[C@@H](OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,t:3|
BDBM10966 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3C)ccc1N2C |r|
BDBM10457 CCCCCCCNc1ccnc2ccccc12
BDBM19121 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)C(C)C)[C@@]3(C)CO |r|
BDBM10459 C(CCCNc1ccncc1)CCNc1ccncc1
BDBM19116 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N[C@@H](OC[C@@]31C)C(C)C |r|
BDBM10458 Nc1ccncc1
BDBM10502 FC(F)(F)C(=O)c1cccc(CBr)c1
BDBM10408 COc1ccc2C=[N+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12,t:6|
BDBM10516 Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
BDBM10817 CCN(C)C(=O)Oc1cccc(CCN(C)CC#C)c1
BDBM10496 Cc1nc2cccc(Cl)c2c(N)c1CNC1(CCC(=O)O1)C(F)(F)F
BDBM10587 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1|
BDBM10625 CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C
BDBM10466 CCCCCCCCCCNc1ccncc1
BDBM10487 Nc1c2CCCCCc2nc2cccc(Cl)c12
BDBM10498 Cc1nc2cccc(F)c2c(N)c1COCc1ccccc1
BDBM10818 CC(Cc1cccc(OC(=O)N(C)C)c1)NCC#C
BDBM10773 CCN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
BDBM19108 [H][C@@]12CC3=CC[C@@H]4N=C(CC)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7|
BDBM19109 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)(C)C |r,c:7,t:3|
BDBM10772 CN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
BDBM10497 Cc1nc2cccc(F)c2c(N)c1CSC1(CCCO1)C(F)(F)F
BDBM19125 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)C(C)C |r,c:32|
BDBM10790 CN(C)C(=O)Oc1ccc2CCCC(NCC#C)c2c1
BDBM10686 CN1C2NCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3)ccc12 |r|
BDBM19103 [H][C@@]12CC3=CC[C@H](NC(=O)C(C)C)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
BDBM19101 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
BDBM19107 [H][C@@]12CC3=CC[C@@H]4N=C(C)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7|
BDBM19122 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)NC)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
BDBM19113 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)c1ccccc1 |r,c:7,t:3|
BDBM10304 CN1C(=O)C(=O)c2ccccc12
BDBM10428 C[N+]1=Cc2ccc(OCCCCN3C(=O)c4ccccc4C3=O)c3O[C@H]4C[C@@H](O)C=C[C@@]4(CC1)c23 |r,c:31,t:1|
BDBM50443513 COc1cccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc12
BDBM50443514 Oc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
BDBM50443515 COc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
BDBM50443516 Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM50443517 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM50443518 Brc1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM50443519 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O
BDBM50443520 Oc1ccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
BDBM50443521 COc1cccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc12
BDBM50443522 COc1ccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
BDBM50443523 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50443524 Brc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50443525 O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O
BDBM10490 OC(O)(CCCCCNc1c2CCCCCc2nc2cccc(Cl)c12)C(F)(F)F
BDBM10404 COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
BDBM10515 OC(=O)CCCCC1CCSS1
BDBM10514 NCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50449209 Cn1c(CNc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50449210 Cn1c(CNCC#C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50449211 Cn1c(CN2CCOCC2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50449212 Cn1c(CNCC=C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50449213 Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(O)=O
BDBM50449214 Cn1c(CNCc2ccccc2)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50449215 Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)N1CCOCC1
BDBM50449216 CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM50449217 Cn1c(CO)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50449218 Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)NCC#C
BDBM50449219 COc1ccc2n(C)c(CNCc3ccccc3)cc2c1
BDBM50449220 Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)Nc1ccccc1
BDBM50449221 Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)NCc1ccccc1
BDBM50449222 COc1ccc2n(C)c(cc2c1)C(=O)NCc1ccccc1
BDBM50449284 [O-][N+](=O)c1ccc2nc(cc(-c3ccccc3)c2c1)-c1c[nH]c2ccccc12
BDBM19118 [H][C@@]12CC[C@]3([H])C(=C[C@@H]1CC[C@@H]1N=C(OC[C@@]21C)C(C)C)C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]31C |r,wU:11.12,24.27,26.29,16.19,4.4,wD:35.40,27.30,32.35,8.9,1.0,c:6,13,(-2.23,3.97,;-2.23,5.51,;-.9,4.74,;.43,5.51,;.43,7.05,;1.47,5.9,;-.9,7.82,;-2.23,8.59,;-2.23,7.05,;-3.57,7.82,;-4.9,7.05,;-4.9,5.51,;-6.23,4.74,;-6.23,3.2,;-4.9,2.43,;-3.57,3.2,;-3.57,4.74,;-4.9,3.97,;-7.57,2.43,;-8.9,3.2,;-7.57,.89,;-.9,9.36,;-2.23,10.13,;.43,10.13,;1.77,9.36,;1.77,10.9,;3.23,9.83,;4,11.17,;3.23,12.5,;5.54,11.17,;6.31,9.83,;6.31,12.5,;4.14,8.59,;5.63,8.19,;3.23,7.34,;1.77,7.82,;2.17,6.33,)|
BDBM50449387 CCN(CCCCCCOc1ccc(cc1)-c1coc2cc(OCCCCCCN(CC)Cc3ccccc3OC)cc(O)c2c1=O)Cc1ccccc1OC
BDBM50449388 CCN(CCCCOc1ccc(cc1)-c1coc2cc(OCCCCN(CC)Cc3ccccc3OC)cc(O)c2c1=O)Cc1ccccc1OC
BDBM50449389 CCN(CCCOc1ccc(cc1)-c1coc2cc(OCCCN(CC)Cc3ccccc3OC)cc(O)c2c1=O)Cc1ccccc1OC
BDBM50449390 CCN(CCCCOc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O)Cc1ccccc1OC
BDBM50449391 CCN(CCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O)Cc1ccccc1
BDBM50449392 COc1ccc2c(c1)[nH]c1cccc(CN(C(C)C)C(=O)CCO[N+]([O-])=O)c21
BDBM50449393 CC(C)NCc1cccc2[nH]c3cc(O)ccc3c12
BDBM50449394 COc1ccc2c(c1)[nH]c1cccc(CNCc3ccccc3)c21
BDBM50449395 CCN(CC)Cc1cccc2[nH]c3cc(OC)ccc3c12
BDBM50449396 COc1ccc2c(c1)oc1cccc(CNC(C)C)c21
BDBM50449397 CCNCc1cccc2oc3cc(OC)ccc3c12
BDBM50449398 CCN(C)Cc1cccc2oc3cc(OC)ccc3c12
BDBM50449399 CCN(CC)Cc1cccc2oc3cc(OC)ccc3c12
BDBM50449400 COc1ccc2c(c1)oc1cccc(CNCc3ccccc3)c21
BDBM50449401 COc1ccc2c(c1)oc1cccc(CN(C(C)C)C(=O)CCO[N+]([O-])=O)c21
BDBM50449402 COc1ccc2c(c1)[nH]c1cccc(CNC(C)C)c21
BDBM50449403 CC(C)NCc1cccc2oc3cc(O)ccc3c12
BDBM10446 Cc1cc(NCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
BDBM10513 Nc1c2CCC(CNC(=O)CCCCC3CCSS3)Cc2nc2cc(Cl)ccc12
BDBM10447 Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
BDBM10469 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
BDBM10489 FC(F)(F)C(=O)c1ccc(CNc2c3CCCCCc3nc3cccc(Cl)c23)s1
BDBM10518 Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c3CCCCc3nc2c1
BDBM10691 CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(C)CC[C@@]3(C)c2c1 |r|
BDBM10694 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:27.29|
BDBM10615 CNC(=O)Oc1ccc2N(C)C3OCC[C@]3(C)c2c1 |r|
BDBM10688 CN1CC[C@]2(C)C1Nc1ccc(OC(=O)Nc3ccccc3)cc21 |r|
BDBM10687 CNC(=O)Oc1ccc2N(C)C3NCC[C@@]3(C)c2c1 |r|
BDBM10786 CCCN(C)C(=O)Oc1cc2C(CCc2cc1Cl)NCC#C
BDBM10810 CNCCc1cccc(OC(=O)N(C)C)c1
BDBM50443027 CCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1
BDBM50443028 CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F
BDBM50443029 CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50443030 CCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)cc1
BDBM50443031 CCN(CC)CCNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+]([O-])=O)cc1
BDBM50443032 CCN(CC)CCNS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
BDBM50443033 CCN(CC)CCNS(=O)(=O)c1ccc2ccccc2c1
BDBM50443034 CCN(CC)CCNS(=O)(=O)c1cccc2ccccc12
BDBM50443035 CCN(CC)CCNS(=O)(=O)c1ccc(F)c(F)c1
BDBM50443036 CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1F
BDBM50443037 CCN(CC)CCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50443038 CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1
BDBM50443039 CCN(CC)CCNS(=O)(=O)c1ccc(F)cc1
BDBM50443040 CCN(CC)CCNS(=O)(=O)c1ccc(C)cc1
BDBM50443041 CCN(CC)CCNS(=O)(=O)c1ccc(OC)cc1
BDBM50443042 CCN(CC)CCNS(=O)(=O)c1cccc(OC)c1
BDBM50443043 CCN(CC)CCNS(=O)(=O)c1ccccc1F
BDBM50443044 CCN(CC)CCNS(=O)(=O)c1ccccc1
BDBM50443045 CCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50443046 CCN(CC)CCNS(=O)(=O)Cc1ccc(Br)cc1
BDBM50443047 CCN(CC)CCNS(=O)(=O)Cc1ccc(F)cc1
BDBM50443048 CCN(CC)CCNS(=O)(=O)Cc1ccc(C)cc1
BDBM50443049 CCN(CC)CCNS(=O)(=O)Cc1ccccc1
BDBM10614 CNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1 |r|
BDBM10789 CC(NC1CCc2ccc(OC(=O)N(C)C)cc12)C#C
BDBM10833 CCN(C)C(=O)Oc1cccc(CCNC(C)C#C)c1
BDBM10703 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(Cl)cc(Cl)c2)c1 |w:31.33|
BDBM10708 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(O)coc3c2)c1
BDBM10785 CCN(C)C(=O)Oc1cc2C(CCc2cc1Cl)NCC#C
BDBM10808 CCN(C)C(=O)Oc1cccc(CCN)c1
BDBM10774 CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
BDBM10721 CNC(=O)Oc1ccc2CCN(CCCOc3ccc4c(c3)oc3ccccc3c4=O)Cc2c1
BDBM10710 CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10695 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:27.29|
BDBM10488 Clc1cccc2nc3CCCCCc3c(NCc3cccs3)c12
BDBM10492 CCOC(=O)c1c(C)nc2cccc(F)c2c1N
BDBM10744 CN(C)C(=O)Oc1ccc2CCCC(N)c2c1
BDBM10745 CCN(C)C(=O)Oc1ccc2CCCC(N)c2c1
BDBM10612 CN1CC[C@@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21 |r|
BDBM10613 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(C)CC[C@@]4(C)c3c2)cc1 |r|
BDBM10696 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:27.29|
BDBM10752 CCCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
BDBM10608 CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1 |r|
BDBM10702 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc(Cl)c(Cl)c2)c1 |w:31.33|
BDBM10829 CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C
BDBM10410 COc1ccc2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:30|
BDBM10583 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
BDBM10519 Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
BDBM10491 OC(O)(CCCCCNc1c2CCCCCc2nc2ccccc12)C(F)(F)F
BDBM10494 Cc1nc2cccc(F)c2c(N)c1CN
BDBM10707 CN(CCCCCCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cccc2ccccc12)Cc1cccc(O)c1
BDBM10769 CCN(C1CCCCC1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10588 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1|
BDBM10690 CNC(=O)Oc1ccc2N(C)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1 |r|
BDBM10617 CN1C2OCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12 |r|
BDBM10832 CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C
BDBM10771 CN(C(=O)Oc1ccc2CCC(NCC#C)c2c1)c1ccccc1
BDBM10770 CN(Cc1ccccc1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10597 CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:11:9:5:3.2.7,19:8:5:3.2.7|
BDBM10814 CCN(C)C(=O)Oc1cccc(CCNCC#C)c1
BDBM10831 C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r|
BDBM10720 CNC(=O)Oc1cccc(CN(C)CC#CCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10598 CCNC(=O)Oc1ccc2OC3OCC[C@@]3(C)c2c1 |r|
BDBM10610 CCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1 |r|
BDBM10809 CCCN(C)C(=O)Oc1cccc(CCN)c1
BDBM10592 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
BDBM10746 CN(C)C(=O)Oc1ccc2CCC(N)Cc2c1
BDBM10747 CCN(C)C(=O)Oc1ccc2CCC(N)Cc2c1
BDBM10743 CCN(C)C(=O)Oc1cccc2C(N)CCc12
BDBM10783 CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
BDBM10782 CCCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
BDBM10692 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10712 CNC(=O)Oc1cccc(CN(C)CCCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10768 CCCCN(CC)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10792 CN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
BDBM10730 CCCCCCN(C)C(=O)Oc1ccc2CCC(N)c2c1
BDBM10611 CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21 |r|
BDBM10693 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10729 CCCN(C)C(=O)Oc1ccc2CCC(N)c2c1
BDBM10760 CCCCCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10776 CCN(CC#C)C1CCc2ccc(OC(=O)N(C)C)cc12
BDBM10679 C[C@@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc21 |r|
BDBM10606 Cc1ccccc1NC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1 |r|
BDBM10448 Cc1cc(NCCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
BDBM10412 COc1ccc2CN(CCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34|
BDBM10825 CCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
BDBM10471 C(CCc1ccccc1)CNc1c2CCCCc2nc2ccccc12
BDBM10600 Cc1ccccc1NC(=O)Oc1ccc2OC3OCC[C@@]3(C)c2c1 |r|
BDBM10618 CN1C2OCC[C@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12 |r|
BDBM10698 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33|
BDBM10715 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc(cc2)C(=O)c2ccccc2)c1
BDBM10736 CCN(C)C(=O)Oc1ccc2CCC(NC)c2c1
BDBM10737 CCNC1CCc2ccc(OC(=O)N(C)C)cc12
BDBM10763 CCNC(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10778 CCN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
BDBM10794 CCN(C)C(=O)Oc1cccc2C(CCc12)N(C)CC#C
BDBM10632 CC1=CC2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23 |r,t:1,TLB:17:18:4.5.11:2.1.13,THB:10:11:18:2.1.13|
BDBM10753 CCCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
BDBM10601 Cc1ccccc1NC(=O)Oc1ccc2OC3OCC[C@]3(C)c2c1 |r|
BDBM10681 CNC(=O)Oc1ccc2NC3NCC[C@@]3(C)c2c1 |r|
BDBM10683 C[C@@]12CCN(Cc3ccccc3)C1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
BDBM10474 C(CCCNc1c2CCCCc2nc2ccccc12)CCCc1ccccc1
BDBM10779 CCCN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
BDBM10791 CCN(C)C(=O)Oc1ccc2CCCC(NCC#C)c2c1
BDBM10605 Cc1ccccc1NC(=O)Oc1ccc2OC3C[C@](C)(CO3)c2c1 |r|
BDBM10751 CCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
BDBM10750 CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
BDBM10685 CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@]3(C)c2c1 |r|
BDBM10701 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccccc2)c1 |w:31.33|
BDBM10520 C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
BDBM10788 CCN(C)C(=S)Oc1ccc2CCC(NCC#C)c2c1
BDBM10430 C[N+]1=Cc2ccc(OCCCCCCCCCCN3C(=O)c4ccccc4C3=O)c3O[C@H]4C[C@@H](O)C=C[C@@]4(CC1)c23 |r,c:37,t:1|
BDBM10500 Cc1nc2cccc(Cl)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
BDBM10718 CNC(=O)Oc1cccc(CN(C)CCCOc2ccccc2)c1
BDBM10417 COc1ccc2C=[N+](CCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,t:6|
BDBM10475 C(CCCCc1ccccc1)CCCNc1c2CCCCc2nc2ccccc12
BDBM10432 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCC[N+](C)(C)C |r,c:5|
BDBM10816 CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C
BDBM10414 COc1ccc2C=[N+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:28,t:6|
BDBM10449 CCCCCCCCCNc1cc(C)nc2ccccc12
BDBM10499 Cc1nc2cccc(F)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
BDBM10433 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCCC[N+](C)(C)C |r,c:5|
BDBM10453 C(CCCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
BDBM10503 Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(=O)C(F)(F)F
BDBM10524 Clc1cc(Cl)c2c(SCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
BDBM10827 CCCCCCN(C)C(=O)Oc1cccc(C[C@@H](C)N(C)CC#C)c1 |r|
BDBM10451 C(CCCNc1ccnc2ccccc12)CCNc1ccnc2ccccc12
BDBM10473 C(CCCc1ccccc1)CCNc1c2CCCCc2nc2ccccc12
BDBM10522 Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
BDBM10784 CCN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
BDBM10709 CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1
BDBM10728 CCN(C)C(=O)Oc1ccc2CC[C@@H](N)c2c1 |r|
BDBM10507 O=C(CCCCC1CCSS1)NCCCNc1c2CCCCc2nc2ccccc12
BDBM10405 COc1ccc2CN(CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32|
BDBM10440 O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r|
BDBM10460 C(CCCNc1ccncc1)CCCNc1ccncc1
BDBM10479 C(CNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
BDBM10424 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCN1C(=O)c2ccccc2C1=O |r,c:5|
BDBM10442 CCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM10463 C(CCCCCNc1ccncc1)CCCCNc1ccncc1
BDBM10462 C(CCCCNc1ccncc1)CCCCNc1ccncc1
BDBM10830 C[C@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r|
BDBM10813 CN(C)C(=O)Oc1cccc(CCNCC#C)c1
BDBM10594 CC=C1C2CC(CC1(N)CC(C)=C2)NCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:12,TLB:11:10:2:4.6.5,13:5:2:12.10.9,THB:1:2:12.10.9:4.6.5|
BDBM10406 COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,t:6|
BDBM10444 Cc1cc(NCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
BDBM10464 C(CCCCCNc1ccncc1)CCCCCNc1ccncc1
BDBM10510 O=C(CCCCC1CCSS1)NCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM10815 CCCN(C)C(=O)Oc1cccc(CCNCC#C)c1
BDBM10787 CN(C)C(=S)Oc1ccc2CCC(NCC#C)c2c1
BDBM10812 CN(C)CCc1cccc(OC(=O)N(C)C)c1
BDBM10616 CCNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1 |r|
BDBM10425 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCN1C(=O)c2ccccc2C1=O |r,c:5|
BDBM10465 C(CCCCCCNc1ccncc1)CCCCCNc1ccncc1
BDBM10512 Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
BDBM10511 O=C(CCCCC1CCSS1)NCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM10599 CCNC(=O)Oc1ccc2OC3OCC[C@]3(C)c2c1 |r|
BDBM10445 Cc1cc(NCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
BDBM10714 CNC(=O)Oc1cccc(CN(C)CCCCCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10732 COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(N)c2c1
BDBM10733 CCNC(=O)Oc1ccc2CCC(N)c2c1
BDBM10767 CCCCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
BDBM10680 C[C@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc21 |r|
BDBM10734 CCCNC(=O)Oc1ccc2CCC(N)c2c1
BDBM10735 CNC1CCc2ccc(OC(=O)N(C)C)cc12
BDBM10762 COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10761 CN(C1CCCCC1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10777 CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
BDBM10726 CC(N(C)C)c1cccc(OC(=O)N(C)C)c1
BDBM10727 CN(C)C(=O)Oc1ccc2CCC(N)c2c1
BDBM10620 [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
BDBM10820 CCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
BDBM10501 Cc1nc2ccccc2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
BDBM10472 C(CCNc1c2CCCCc2nc2ccccc12)CCc1ccccc1
BDBM10624 C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
BDBM10795 CN(C)C1CCc2ccc(OC(=O)N(C)C)cc12
BDBM10796 CN(C)C1CCc2c1cccc2OC(=O)N(C)C
BDBM10821 CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)NCC#C
BDBM10415 COc1ccc2C=[N+](CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:30,t:6|
BDBM14754 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
BDBM10421 COc1ccc2CN(CCCCCCCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:23|
BDBM10523 Clc1cc(Cl)c2c(NCCCCCCCSc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
BDBM10476 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCc1ccccc1
BDBM10504 Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(O)(O)C(F)(F)F
BDBM10525 C(CCCSc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
BDBM10461 C(CCCCNc1ccncc1)CCCNc1ccncc1
BDBM10454 C(CCCCNc1ccnc2ccccc12)CCCCNc1ccnc2ccccc12
BDBM10526 C(CCSc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
BDBM10452 C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
BDBM10419 COc1ccc2CN(CCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:18|
BDBM10435 C[N+](C)(C)CCCCCCCCN1C(=O)c2ccccc2C1=O
BDBM10455 C(CCCCCNc1ccnc2ccccc12)CCCCNc1ccnc2ccccc12
BDBM10505 CC(=O)c1cccc(CSCc2c(C)nc3cccc(F)c3c2N)c1
BDBM10420 COc1ccc2CN(CCCCCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:21|
BDBM10436 C[N+](C)(C)CCCCCCCCCCN1C(=O)c2ccccc2C1=O
BDBM10456 C(CCCCCCNc1ccnc2ccccc12)CCCCCNc1ccnc2ccccc12
BDBM10478 C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
BDBM10506 O=C(CCCCC1CCSS1)NCCNc1c2CCCCc2nc2ccccc12
BDBM10407 C[N+]1=Cc2ccc(OCCCCCCCCN3C(=O)c4ccccc4C3=O)c3O[C@H]4C[C@@H](O)C=C[C@@]4(CC1)c23 |r,c:35,t:1|
BDBM10426 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCCCN1C(=O)c2ccccc2C1=O |r,c:5|
BDBM10409 COc1ccc2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:28|
BDBM10509 O=C(CCCCC1CCSS1)NCCCCCNc1c2CCCCc2nc2ccccc12
BDBM10682 CNC(=O)Oc1ccc2NC3NCC[C@]3(C)c2c1 |r|
BDBM10622 CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
BDBM10699 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:31.33|
BDBM10684 CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1 |r|
BDBM10717 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccccc3c2)c1
BDBM10716 CNC(=O)Oc1cccc(CN(C)CCCOc2cccc(Cc3ccccc3)c2)c1
BDBM10764 CCCNC(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10780 CN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
BDBM10822 CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
BDBM10819 CCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
BDBM10602 CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCC[C@]4(C)c3c2)cc1 |r|
BDBM10623 CCCCCCCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1 |r|
BDBM10740 CCN(C)C(=O)Oc1cccc2CCC(N)c12
BDBM10741 CNC1CCc2cccc(OC(=O)N(C)C)c12
BDBM10765 CCCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10823 CC(Cc1cccc(OC(=O)N(C)C)c1)N(C)CC#C
BDBM10793 CCN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
BDBM10603 CCNC(=O)Oc1ccc2OC3C[C@](C)(CO3)c2c1 |r|
BDBM10604 CCNC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1 |r|
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM10439 O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r|
BDBM10422 COc1ccc2CN(CCCCCCCCCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:25|
BDBM10731 CN(C1CCCCC1)C(=O)Oc1ccc2CCC(N)c2c1
BDBM10443 Cc1cc(N)c2ccccc2n1
BDBM10775 CCCN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
BDBM10450 Nc1ccnc2ccccc12
BDBM10766 CCCCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
BDBM10676 CN1CC[C@@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
BDBM10826 CCCCCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
BDBM10824 CCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
BDBM10689 CNC(=O)Oc1ccc2NC3N(C)CC[C@@]3(C)c2c1 |r|
BDBM10748 CN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
BDBM10742 CN(C)C(=O)Oc1cccc2C(N)CCc12
BDBM10584 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
BDBM10495 Cc1nc2cccc(F)c2c(N)c1CNC1(CCC(=O)O1)C(F)(F)F
BDBM10607 CC(C)c1ccc(NC(=O)Oc2ccc3OC4C[C@@](C)(CO4)c3c2)cc1 |r|
BDBM10609 CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1 |r|
BDBM10749 CN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
BDBM10713 CNC(=O)Oc1cccc(CN(C)CCCCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM10719 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc(cc2)-c2ccccc2)c1
BDBM10811 CCN(C)C(=O)Oc1cccc(CCNC)c1
BDBM10828 CCCCCCN(C)C(=O)Oc1cccc(C[C@H](C)N(C)CC#C)c1 |r|
BDBM16430 OC(=O)\C=C\c1ccccc1
BDBM10781 CCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
BDBM10738 CCCNC1CCc2ccc(OC(=O)N(C)CC)cc12
BDBM10508 O=C(CCCCC1CCSS1)NCCCCNc1c2CCCCc2nc2ccccc12
BDBM10477 C(CCCCCc1ccccc1)CCCCNc1c2CCCCc2nc2ccccc12
BDBM10437 C[N+](C)(C)CCCCCCCCCCCCN1C(=O)c2ccccc2C1=O
BDBM10480 C(CCNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
BDBM22726 O=C(c1ccccc1)c1ccccc1
BDBM13536 COc1cc(cc(OC)c1OC)C(=O)NNc1c2CCCCc2nc2ccccc12
BDBM11682 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
BDBM13547 COc1cc(CCC(=O)NCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM11685 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM11690 [H][C@@]12N(C)c3ccc(OC(=O)Nc4cccc(CC)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM11692 [H][C@@]12N(C)c3ccc(OC(=O)Nc4c(C)cccc4C)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM11693 [H][C@@]12N(C)c3ccc(OC(=O)Nc4cc(C)cc(C)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM13550 COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM13541 COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM11684 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM13543 COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM13545 COc1cc(CCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM11689 [H][C@@]12N(C)c3ccc(OC(=O)Nc4cccc(C)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM11691 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccc(C)cc4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM11686 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM13551 CCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc12
BDBM11688 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CCC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM13540 COc1cc(cc(OC)c1OC)C(=O)NCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM13542 COc1cc(cc(OC)c1OC)C(=O)NCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM13544 COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM13539 COc1cc(cc(OC)c1OC)C(=O)NCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM11687 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C(C)C)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM11683 [H][C@@]12N(C)c3ccc(OC(=O)NC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
BDBM13549 COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM13538 COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM13546 COc1cc(CCC(=O)NCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM13548 COc1cc(CCC(=O)NCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM13537 COc1cc(cc(OC)c1OC)C(=O)NCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM29402 CCOC(=O)C1C(c2cccnc2)c2c(N)c3CCCCc3nc2N=C1C |c:27|
BDBM29400 CCOC(=O)C1C(c2ccc(OC)cc2)c2c(N)c3CCCCc3nc2N=C1C |c:29|
BDBM29401 CCOC(=O)C1C(c2ccc(OC)c(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:31|
BDBM29399 CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:29|
BDBM29396 CCOC(=O)C1C(c2ccc(C)cc2)c2c(N)c3CCCCc3nc2N=C1C |c:28|
BDBM29403 CCOC(=O)C1C(c2ccncc2)c2c(N)c3CCCCc3nc2N=C1C |c:27|
BDBM29397 CCOC(=O)C1C(c2ccc(cc2)-c2ccccc2)c2c(N)c3CCCCc3nc2N=C1C |c:34|
BDBM29392 CCOC(=O)C1C(c2ccccc2C(F)(F)F)c2c(N)c3CCCCc3nc2N=C1C |c:31|
BDBM29391 CCOC(=O)C1C(c2ccc(F)cc2)c2c(N)c3CCCCc3nc2N=C1C |c:28|
BDBM29395 CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C |c:30|
BDBM29398 CCOC(=O)C1C(c2ccccc2OC)c2c(N)c3CCCCc3nc2N=C1C |c:29|
BDBM29394 CCOC(=O)C1C(c2cccc(c2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C |c:30|
BDBM29390 CCOC(=O)C1C(c2ccccc2)c2c(N)c3CCCCc3nc2N=C1C |c:27|
BDBM29393 CCOC(=O)C1C(c2ccccc2[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C |c:30|
BDBM26663 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccccc1 |r|
BDBM26664 Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM30130 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM23418 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
BDBM23419 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM24710 COc1ccc2nc3cc(Cl)ccc3c(N)c2c1
BDBM25313 NCCCC(O)(P(O)(O)=O)P(O)(O)=O
BDBM22820 Clc1ccc2C(=O)C(=O)Nc2c1
BDBM22811 COc1ccc2NC(=O)C(=O)c2c1
BDBM22812 Fc1ccc2NC(=O)C(=O)c2c1
BDBM22838 Cc1cc2C(=O)C(=O)Nc2cc1Br
BDBM22813 Clc1ccc2NC(=O)C(=O)c2c1
BDBM22821 Cc1cccc2C(=O)C(=O)Nc12
BDBM22815 Ic1ccc2NC(=O)C(=O)c2c1
BDBM22831 Clc1ccc(Cl)c2C(=O)C(=O)Nc12
BDBM22767 CC1CCC(=O)C1=O
BDBM22771 CC1CCCC(=O)C1=O
BDBM22829 Clc1ccc2NC(=O)C(=O)c2c1Cl
BDBM22765 CCC(=O)C(C)=O
BDBM22817 [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1
BDBM22825 FC(F)(F)c1cccc2C(=O)C(=O)Nc12
BDBM22851 O=C1C=Cc2ccccc2C1=O |c:2|
BDBM22822 Fc1cccc2C(=O)C(=O)Nc12
BDBM22852 O=C1Cc2ccccc2C1=O
BDBM22776 ClC1=C(Cl)C(=O)C(=O)C(Cl)=C1Cl |c:1,9|
BDBM22853 O=c1c2cccc3cccc(c23)c1=O
BDBM22834 Clc1ccc2C(=O)C(=O)Nc2c1Cl
BDBM22784 ClN1C(=O)C(=O)c2ccccc12
BDBM22830 Clc1cc2NC(=O)C(=O)c2c(Cl)c1
BDBM22837 Cc1c2NC(=O)C(=O)c2ccc1Cl
BDBM22766 CC(=O)CC(C)=O
BDBM22769 CCCCC(=O)C(C)=O
BDBM22816 FC(F)(F)Oc1ccc2NC(=O)C(=O)c2c1
BDBM22770 O=C1CCCC(=O)C1
BDBM22823 Clc1cccc2C(=O)C(=O)Nc12
BDBM22832 Clc1cc2NC(=O)C(=O)c2cc1Cl
BDBM22810 Cc1ccc2NC(=O)C(=O)c2c1
BDBM22772 CC1C(=O)CCCC1=O
BDBM22777 CC1NC(=O)C(=O)OC1C
BDBM22778 Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
BDBM50332635 Clc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1
BDBM50332636 COc1ccc(CC(=O)Nc2cccc(c2)C(=O)C(=O)c2ccccn2)cc1
BDBM50332637 Fc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1
BDBM50332638 Clc1ccc(C(=O)Nc2cccc(c2)C(=O)C(=O)c2ccccn2)c(Cl)c1
BDBM50332639 O=C(Cc1cccs1)Nc1cccc(c1)C(=O)C(=O)c1ccccn1
BDBM50332640 FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1
BDBM50332641 Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1
BDBM50332642 Fc1ccc(cc1F)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1
BDBM50332643 O=C(COc1ccccc1)Nc1cccc(c1)C(=O)C(=O)c1ccccn1
BDBM50332644 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1
BDBM25524 COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
BDBM22814 Brc1ccc2NC(=O)C(=O)c2c1
BDBM22824 COc1cccc2C(=O)C(=O)Nc12
BDBM50332797 CN1CCN(CC1)NCCN1c2ccccc2Sc2ccccc12
BDBM50332798 CN(C)CCC(=O)NN1c2ccccc2Sc2cc(Cl)ccc12
BDBM50332799 CN1CCN(CC(=O)NN2c3ccccc3Sc3cc(Cl)ccc23)CC1
BDBM50332800 CC(=O)NN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50332801 NN1c2ccccc2Sc2ccccc12
BDBM50332802 CC(=O)n1n(C(C)=O)c2c(Cl)cccc2sc2ccccc12
BDBM50333148 CN(C)c1nc2nc3CCCCc3c(N)c2cc1C#N
BDBM50333149 Nc1c2CCCCc2nc2nc(N3CCCC3)c(cc12)C#N
BDBM50333150 Nc1c2CCCCc2nc2nc(N3CCCCC3)c(cc12)C#N
BDBM50333151 Nc1c2CCCCc2nc2nc(NCC#C)c(cc12)C#N
BDBM50333152 CN(C)c1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N
BDBM50333153 COc1nc2nc3CCCCc3c(N)c2cc1C#N
BDBM50333154 CCOc1nc2nc3CCCCc3c(N)c2cc1C#N
BDBM50333155 COc1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N
BDBM50333156 Nc1c2CCCCc2nc2nc(Cl)c(cc12)C#N
BDBM50333157 Nc1c2CCCCc2nc2nc(Cl)c(C#N)c(-c3ccccc3)c12
BDBM50333158 COc1nc2nc3CCN(Cc4ccccc4)Cc3c(N)c2cc1C#N
BDBM50333159 Nc1c2CN(Cc3ccccc3)CCc2nc2nc(Cl)c(cc12)C#N
BDBM22848 [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)[N+]([O-])=O
BDBM22849 Cc1cc(C)c(C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1
BDBM50336124 C(C[n+]1ccc2ccccc2c1)OCC[n+]1ccc2ccccc2c1
BDBM50336122 C(CCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
BDBM50336123 C(OC[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1
BDBM50336125 C(\C=C\C[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1
BDBM50336126 C(\C=C/C[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1
BDBM50336127 C(c1ccccc1C[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1
BDBM50336128 C(c1cccc(C[n+]2ccc3ccccc3c2)c1)[n+]1ccc2ccccc2c1
BDBM50336129 C(c1ccc(C[n+]2ccc3ccccc3c2)cc1)[n+]1ccc2ccccc2c1
BDBM50336130 C(c1ccc2ccc(C[n+]3ccc4ccccc4c3)cc2c1)[n+]1ccc2ccccc2c1
BDBM50335905 [#6]-[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#6])cc1 |r|
BDBM50335906 CC(C)CC(=O)C[C@H](C)c1ccc(C)cc1 |r|
BDBM22795 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
BDBM22796 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
BDBM50335584 C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@@H]4[C@]5(CC3=CC[C@]12C)O[C@@H]5[C@H]1OC[C@]4(C)[C@H]1NC(=O)c1ccccc1)N(C)C |r,c:19|
BDBM50335585 C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@@]4(CC3=CC[C@]12C)C=C[C@@H]5NC(=O)c1ccccc1)N(C)C |r,c:21,28|
BDBM50335586 C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)C[C@@H](O)[C@H](N(C)C)C4(C)C)N(C)C |r,c:9|
BDBM50335587 C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@H](C)[C@H](CCC4=CC3=CC[C@]12C)N(C)C)N(C)C |r,c:18,21|
BDBM50335588 C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(CC[C@H](N(C)C)C4(C)C)=CC3=CC[C@]12C)N(C)C |r,c:22,25|
BDBM50335589 C[C@@H]([C@H]1[C@@H](C[C@@]2(C)[C@@H]3C[C@H]4OC[C@]5(C)[C@H]4[C@](O)(CC3=CC[C@]12C)C=C[C@@H]5NC(=O)c1ccccc1)OC(C)=O)N(C)C |r,c:20,27|
BDBM50335590 C[C@@H]([C@H]1[C@@H](C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)C=C[C@]4(O)CC3=CC[C@]12C)OC(C)=O)N(C)C |r,c:26,33|
BDBM50335591 C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(CC[C@H](N(C)C)C4(C)C)=CC3=CC[C@]12C)N(C)C |r,c:21,24|
BDBM50335592 CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](N(C)C)C4(C)C |r,w:1.0|
BDBM50335593 CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C |r,t:5,7|
BDBM50335633 CCN1C(=O)NC2C(C(=O)Nc3c2cccc3[N+]([O-])=O)=C1C |c:21|
BDBM50335634 CN1C(=O)NC2C(C(=O)Nc3c2cccc3[N+]([O-])=O)=C1C |c:20|
BDBM50335635 Oc1ccc(\C=N\NC(=O)c2c(O)c3c(Cl)cccc3[nH]c2=O)c(O)c1
BDBM50335636 Cn1c2ccccc2c(O)c(C(=O)NCCNCCNCCN)c1=O
BDBM50335637 NCCNCCNCCNC(=O)c1c(O)c2ccccc2[nH]c1=O
BDBM22724 CC(=O)C(=O)c1ccccc1
BDBM22793 O=C1N(c2ccccc2C1=O)c1ccccc1
BDBM22794 O=C1N(Cc2ccccc2)c2ccccc2C1=O
BDBM50336096 CC(=O)N(CCCN=c1n2CCCCCCc2nc2ccccc12)CCC\N=c1\n2CCCCCCc2nc2ccccc12
BDBM50336097 CN(CCCCN=c1n2CCCc2nc2ccccc12)CCCN=c1n2CCCc2nc2ccccc12
BDBM50336098 CC(=O)N(CCCCN=c1n2CCCc2nc2ccccc12)CCCN=c1n2CCCc2nc2ccccc12
BDBM50336099 CCC(=O)N(CCCCN=c1n2CCCc2nc2ccccc12)CCCN=c1n2CCCc2nc2ccccc12
BDBM50336100 CC(=C)C(=O)N(CCCCN=c1n2CCCc2nc2ccccc12)CCCN=c1n2CCCc2nc2ccccc12
BDBM50336101 CN(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336102 CC(=O)N(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336103 CCC(=O)N(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336104 CC(=C)C(=O)N(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336105 CC(=O)NCC(=O)N(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336106 CC(C)(C)C(=O)N(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336107 CCCCC(=O)N(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336108 CC(C)CC(=O)N(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336109 CC(C)CCC(=O)N(CCCCN=c1n2CCCCCCc2nc2ccccc12)CCCN=c1n2CCCCCCc2nc2ccccc12
BDBM50336110 CN(CCCN=c1n2CCCc2nc2ccccc12)CCC\N=c1\n2CCCc2nc2ccccc12
BDBM50336111 CC(=O)N(CCCN=c1n2CCCc2nc2ccccc12)CCC\N=c1\n2CCCc2nc2ccccc12
BDBM50336112 CN(CCCN=c1n2CCCCCCc2nc2ccccc12)CCC\N=c1\n2CCCCCCc2nc2ccccc12
BDBM50336113 C(\N=c1/n2CCCc2nc2ccccc12)c1ccccc1
BDBM50336114 C(\N=c1/n2CCCCCCc2nc2ccccc12)c1ccccc1
BDBM50336116 C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl
BDBM50336117 C([n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1
BDBM50336118 C(C[n+]1ccc2ccccc2c1)C[n+]1ccc2ccccc2c1
BDBM50336119 C(CC[n+]1ccc2ccccc2c1)C[n+]1ccc2ccccc2c1
BDBM50336120 C(CC[n+]1ccc2ccccc2c1)CC[n+]1ccc2ccccc2c1
BDBM22846 COc1ccccc1C(=O)C(=O)c1ccccc1OC
BDBM22847 CCOc1ccc(cc1)C(=O)C(=O)c1ccc(OCC)cc1
BDBM22745 COc1ccc(cc1OC)C(=O)C(=O)c1ccccc1Cl
BDBM22747 [O-][N+](=O)c1cc(ccc1Br)C(=O)C(=O)c1ccc(Br)c(c1)[N+]([O-])=O
BDBM22743 COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1
BDBM22744 COc1cccc(c1)C(=O)C(=O)c1cccc(OC)c1
BDBM22759 O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1
BDBM22806 Oc1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc23)cc1
BDBM22727 O=C(CC(=O)c1ccccc1)c1ccccc1
BDBM22728 OC(C(=O)c1ccccc1)c1ccccc1
BDBM22819 CCc1ccc2C(=O)C(=O)Nc2c1
BDBM22827 Cc1ccc(C)c2C(=O)C(=O)Nc12
BDBM22828 Cc1cc2C(=O)C(=O)Nc2c(C)c1
BDBM31893 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM22722 O=C(C(=O)c1ccccc1)c1ccccc1
BDBM22757 CN(C)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)N(C)C
BDBM22758 Fc1c(F)c(F)c(C(=O)C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1F
BDBM22786 ICCN1C(=O)C(=O)c2ccccc12
BDBM22787 CC(=O)N1C(=O)C(=O)c2ccccc12
BDBM22789 CCC(=O)N1C(=O)C(=O)c2ccccc12
BDBM22855 O=C1N2CCCc3cccc(C1=O)c23
BDBM22856 O=C1N2CCCc3cccc(C(=O)C1=O)c23
BDBM22857 O=C1C(=O)c2ccccc2-c2ccccc12
BDBM22781 O=S(Cc1ccccc1)Cc1ccccc1
BDBM22785 BrCCN1C(=O)C(=O)c2ccccc12
BDBM22738 Cc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
BDBM22740 Cc1ccc(cc1)C(=O)C(=O)c1ccc(C)cc1
BDBM22844 O=C1N(CCN2C(=O)C(=O)c3ccccc23)c2ccccc2C1=O
BDBM22730 Fc1ccc(cc1)C(=O)C(=O)c1ccc(F)cc1
BDBM22839 O=C1N(CN2CCSCC2)c2ccccc2C1=O
BDBM22841 O=C1N(CN2CCOCC2)c2ccccc2C1=O
BDBM22751 [O-][N+](=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)[N+]([O-])=O
BDBM22729 OC(C(O)c1ccccc1)c1ccccc1
BDBM22731 Clc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
BDBM22732 Clc1ccccc1C(=O)C(=O)c1ccccc1Cl
BDBM22752 Oc1ccc(cc1)C(=O)C(=O)c1ccc(O)cc1
BDBM50333760 COc1ccc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
BDBM50333761 COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
BDBM50333762 COc1ccc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
BDBM50333763 COc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
BDBM50333764 COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM50333765 COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM50333766 COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM50333767 COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM50333768 COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
BDBM50333769 COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
BDBM50333770 COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
BDBM50333771 COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
BDBM50333772 COc1cc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
BDBM50333773 COc1cc(CNCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
BDBM50333779 O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1
BDBM50333781 O=NCc1cc[n+](C[n+]2ccc(CN=O)cc2)cc1
BDBM50333782 NC(=O)c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1
BDBM50333783 NC(=O)c1cc[n+](C\C=C\C[n+]2ccc(CN=O)cc2)cc1
BDBM50333784 O=NCc1cc[n+](CCC[n+]2ccc(cc2)-c2ccccc2)cc1
BDBM50333785 CC(=O)c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1
BDBM50333786 ONC(=N)c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1
BDBM22754 Oc1ccc(C(=O)C(=O)c2ccc(O)cc2O)c(O)c1
BDBM22755 Oc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccc(O)c(c1)[N+]([O-])=O
BDBM22756 COc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccc(OC)c(c1)[N+]([O-])=O
BDBM22802 O=C1N(CNc2ccc3ccccc3c2)c2ccccc2C1=O
BDBM22753 Oc1ccc(Br)cc1C(=O)C(=O)c1cc(Br)ccc1O
BDBM50333923 O[Si](O)(O)C1CCCCC1
BDBM22762 OC(=O)c1ccc(cc1)C(=O)c1ccccc1
BDBM22764 COC(OC)(C(=O)c1ccccc1)c1ccccc1
BDBM22750 [O-][N+](=O)c1ccc(C(=O)C(=O)c2ccccc2)c(c1)[N+]([O-])=O
BDBM22804 Brc1ccccc1NCN1C(=O)C(=O)c2ccccc12
BDBM22805 Brc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
BDBM22800 CC(C)(C)c1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
BDBM50334306 CC(C)(C)c1cc[n+](CCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM22801 COc1cc(NCN2C(=O)C(=O)c3ccccc23)cc(OC)c1OC
BDBM50334304 CC(C)(C)c1cc[n+](CCCCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334305 CC(C)(C)c1cc[n+](CCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334307 CC(C)(C)c1cc[n+](Cc2ccc(C[n+]3ccc(cc3)C(C)(C)C)cc2)cc1
BDBM50334308 CC(C)(C)c1cc[n+](Cc2cccc(C[n+]3ccc(cc3)C(C)(C)C)c2)cc1
BDBM50334310 CC(C)(C)c1cc[n+](C\C=C/C[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334311 CC(C)(C)c1cc[n+](Cc2ccccc2C[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334312 CC(C)(C)c1cc[n+](C\C=C\C[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334313 CC(C)(C)c1cc[n+](CCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334314 CC(C)(C)c1cc[n+](CCCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334315 CC(C)(C)c1cc[n+](COC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334316 CC(C)(C)c1cc[n+](CCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334317 CC(C)(C)c1cc[n+](CC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334318 CC(C)(C)c1cc[n+](CCOCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334319 CC(C)(C)c1cc[n+](C[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM22803 Clc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
BDBM22748 Cc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccccc1
BDBM22749 [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
BDBM22799 CCc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
BDBM22858 [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
BDBM22859 O=c1c2cccc3cc4ccccc4c(c23)c1=O
BDBM30707 COc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50334300 CC(C)(C)c1cc[n+](CCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334301 CC(C)(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334302 CC(C)(C)c1cc[n+](CCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50334303 CC(C)(C)c1cc[n+](\C=C2\CC3=C\C(CC=C3C=C2)=C\[n+]2ccc(cc2)C(C)(C)C)cc1 |c:15,18,t:11|
BDBM31898 Clc1ccc2c(NCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
BDBM22773 CC1CC(C)(C)CC(=O)C1=O
BDBM22797 Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
BDBM22798 Cc1cc(C)c(NCN2C(=O)C(=O)c3ccccc23)cc1C
BDBM22850 O=C(C1CCCCC1)C(=O)C1CCCCC1
BDBM22854 [O-][N+](=O)c1ccc2c3c(ccc([N+]([O-])=O)c13)c(=O)c2=O
BDBM22845 O=C1N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc45)cc3)cc2)c2ccccc2C1=O
BDBM22779 O=S(=O)(Cc1ccccc1)Cc1ccccc1
BDBM22780 O=S(=O)(Cc1ccccc1)c1ccccc1
BDBM22775 CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C |c:10,t:4|
BDBM22893 CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
BDBM22807 Cc1cccc(NC(=O)CN2C(=O)C(=O)c3ccccc23)c1
BDBM22808 CCc1cccc2NC(=O)C(=O)c12
BDBM22760 COc1ccc(cc1)C(O)C(=O)c1ccc(OC)cc1
BDBM22761 CN(C)c1ccc(cc1)C(=O)C(O)c1ccccc1
BDBM32021 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
BDBM22733 Brc1ccc(cc1)C(=O)C(=O)c1ccc(Br)cc1
BDBM22734 Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1
BDBM22736 OC(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
BDBM22737 Clc1ccc(cc1)C(=O)C(=O)c1ccccc1
BDBM22741 Cc1ccc(cc1C)C(=O)C(=O)c1ccccc1
BDBM22742 COc1ccc(cc1)C(=O)C(=O)c1ccccc1
BDBM31902 Clc1ccc2c(NCCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
BDBM22843 CCCCCCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
BDBM22790 CCCC(=O)N1C(=O)C(=O)c2ccccc12
BDBM22791 OC(=O)CN1C(=O)C(=O)c2ccccc12
BDBM22792 NC(=O)CN1C(=O)C(=O)c2ccccc12
BDBM22842 CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
BDBM31903 CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCOc3c2c1
BDBM50132101 CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
BDBM31904 CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
BDBM31906 COC(=O)CCc1ccc2nc(-c3ccccc3)c3CCCOc3c2c1
BDBM50149201 Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cnnn1CCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21
BDBM50044140 CNC1(CCCCC1=O)c1ccccc1Cl
BDBM50107914 C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3c(cccc23)N(C)C)N(C(C)=O)C1=O
BDBM50040642 [O-][N+](=O)[CH-]\C(NCCC1CCN(Cc2ccccc2)CC1)=[NH+]/c1ccccc1
BDBM50107889 CC1=CC2CC(C1)Cc1nc3ccccc3c(N)c21 |t:1,THB:16:18:4:2.1.6,9:8:4:2.1.6|
BDBM50026220 C[N+](C)(C)CCO
BDBM50033509 CCCn1c2CCCC(NCCc3ccccc3)c2ccc1=O
BDBM50033510 [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(F)c(F)c3)-c2ccc1=O
BDBM50033511 [#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-[#6]-2-[#6]-[#6]-[#6]-c3c-2ccc(=O)n3-[#6]\[#6]=[#6](/[#6])-[#6])c1
BDBM50033512 [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cc(Cl)cc(Cl)c3)-c2ccc1=O
BDBM50033513 COc1ccc(CCNC2CCCc3c2ccc(=O)n3C)cc1
BDBM50033514 Clc1ccc(CCNC2CCCc3c2ccc(=O)n3CCc2ccccc2)cc1Cl
BDBM50033515 CCCCCCCCCCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
BDBM50033517 CCCn1c2CCCC(NCCc3ccccn3)c2ccc1=O
BDBM50033518 Cn1c2CCCC(NCCCc3ccccc3)c2ccc1=O
BDBM50033519 [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(-[#8])cc3)-c2ccc1=O
BDBM50033520 Clc1ccc(CCNC2CCCc3c2ccc(=O)n3CC=C)cc1Cl
BDBM50039716 C(Cc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50199540 CCCN(CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:26,51,TLB:23:22:10:12.13.19,THB:35:34:31:42.45.43,39:40:31:42.45.43|
BDBM50199541 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)C1CC1 |c:50,t:1,TLB:10:11:14:13.2.1,6:5:14:13.2.1,THB:43:42:30:32.33.39|
BDBM50199542 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCCN1CCN(CCCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:53,t:1,TLB:0:1:14:4.5.11,THB:41:42:33:44.47.45,37:36:33:44.47.45|
BDBM50033525 CCCn1c2CCCC(NCCC(C)(C)C)c2ccc1=O
BDBM50033526 CC(C)Cn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
BDBM50033527 [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(Cl)c3)-c2ccc1=O
BDBM50033528 NC1(Cc2ccccc2)CCCc2[nH]c(=O)ccc12
BDBM50033529 Cn1c2CCCC(NCCc3ccccc3)c2ccc1=O
BDBM50060481 Nc1c2CCc3ccccc3-c2nc2ccccc12
BDBM50060482 CC1(C)C2CCC1(C)c1nc3ccccc3c(N)c21
BDBM50060483 Nc1c2CCCCCc2nc2ccccc12
BDBM50060484 CCCCC1(O)C(C)Cc2c1nc1ccccc1c2N
BDBM50060485 Nc1c2CCNc3ccccc3-c2nc2ccccc12
BDBM50060486 CCCCC1=C(C)Cc2c1nc1ccccc1c2N |c:4|
BDBM50060475 Nc1c-2c(CCCc3ccccc-23)nc2ccccc12
BDBM50060476 Nc1c2CCCNc3ccccc3-c2nc2ccccc12
BDBM50060477 Nc1c2CCCc2nc2ccccc12
BDBM50060478 COc1ccc-2c(CCc3c(N)c4ccccc4nc-23)c1
BDBM50060479 Nc1c2ccccc2nc2c1cnc1cc(Cl)ccc21
BDBM50060480 CC1Cc2c(nc3ccccc3c2N)C1(C)O
BDBM50087159 CO[C@@H]1C[C@@H]2Oc3c4c(CN(CCCCCCCCCCN5CC[C@@]67C=C[C@H](O)CC6Oc6c7c(C5)ccc6OC)CC[C@@]24C=C1)ccc3OC |c:25,50|
BDBM50055207 CCCCNC(=O)Oc1ccc2N(C)C3[N@H+](C)CC[C@@]3(C)c2c1
BDBM50055208 C[N+]1(C)CCO[C@H](O)C1
BDBM50055209 CCSCC[N+](C)(C)C
BDBM50055196 C[N+](C)(C)CCC=C
BDBM50055197 C[N+]1(C)CCO[C@](O)(C1)C(F)(F)F
BDBM50055203 C[N+](C)(C)CCCCI
BDBM50055204 Cc1ccc(cc1O)[N+](C)(C)C
BDBM50055205 CCC(=O)Oc1ccc(C)c(c1)[N+](C)(C)C
BDBM50055206 COc1cc(ccc1C)[N+](C)(C)C
BDBM50040656 [O-][N+](=O)c1ccccc1C(=O)[NH+]=C([S-])NCCC1CCN(Cc2ccccc2)CC1 |w:11.11|
BDBM50040657 COc1ccc(cc1OC)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040658 CN(CCC1CCN(Cc2ccccc2)CC1)C(=S)Nc1ccccc1
BDBM50040659 S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1cccnc1
BDBM50040660 Fc1c(F)c(F)c(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)c(F)c1F
BDBM50040661 CCN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NCc1ccccc1
BDBM50048612 CN(c1ccncc1)n1cccc1C=C
BDBM50040624 O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(Oc2ccccc2)c1
BDBM50040625 Cc1ccccc1NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040626 [O-][N+](=O)c1ccc([N-]C(=[SH+])NCCC2CCN(Cc3ccccc3)CC2)nc1
BDBM50040627 FC(F)(F)c1cccc(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)c1
BDBM50040628 COc1cccc(c1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040629 FC(F)(F)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040630 FC(F)(F)Oc1ccc(NC(=S)NCCC2CCN(CC3CCCCC3)CC2)cc1
BDBM50040631 O=C(NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1
BDBM50040632 O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)oc1ccccc1c2=O
BDBM50040633 S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccn1
BDBM50040634 CN(C(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50040635 CC(=O)c1ccc(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)cc1
BDBM50040636 O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc-2c(c1)C(=O)c1ccccc-21
BDBM50040637 O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1
BDBM50104603 C\C=C1\C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13|
BDBM50104604 CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2=O |t:1,THB:10:11:14:2.1.13|
BDBM50104605 C\C=C1/C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13|
BDBM50194102 CCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
BDBM50194103 C(CCC\N=c1\n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
BDBM50194104 C(CCC\N=c1\n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
BDBM50194105 C(CCCC\N=c1/n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
BDBM50194106 C(CCCC\N=c1/n2CCCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCCc2nc2ccccc12
BDBM50119796 C(CCC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12
BDBM50107892 CC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:1,TLB:0:1:7.8.9:4,THB:17:7:1.2.6:4,10:8:1.2.6:4|
BDBM50029799 COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
BDBM50060474 COc1ccc-2c(CCCc3c(N)c4ccccc4nc-23)c1
BDBM50133952 CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccccc3s2)cc1
BDBM50060469 CC1=C(C)c2nc3ccccc3c(N)c2C1 |c:1|
BDBM50060470 Nc1c2C3CCC(C3)c2nc2ccccc12
BDBM50060471 Nc1c2CCc3c(Cl)cccc3-c2nc2ccccc12
BDBM50060472 Nc1c2CCCCCCc2nc2ccccc12
BDBM50060473 Nc1c2CCCc3ccccc3-c2nc2ccccc12
BDBM50024206 CN(C)CCc1c[nH]c2ccc(O)cc12
BDBM50135153 CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1
BDBM50020538 CC#CCCOC[n+]1ccn(C)c1CN=O
BDBM50107904 C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3c(cccc23)N(C)C)N(C(=O)C2CC2)C1=O
BDBM50055198 CC(=O)Nc1ccc(cc1)[C@@]1(O)C[N+](C)(C)CCO1
BDBM50055199 CC(=O)Oc1cccc(c1)[N+](C)(C)C
BDBM50055200 CC(C)NC(=O)Oc1ccc2N(C)C3[N@H+](C)CC[C@@]3(C)c2c1
BDBM50055201 CCCC(=O)OCC[N+](C)(C)C
BDBM50055202 CC(C)(C)[C@@]1(O)C[N+](C)(C)CCO1
BDBM50055210 C[N+](C)(C)CCCCCBr
BDBM50055211 CCOCC[N+](C)(C)C
BDBM50199521 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCCN(CCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:52,t:1,TLB:6:5:14:13.2.1,10:11:14:13.2.1,THB:36:35:32:43.46.44,40:41:32:43.46.44|
BDBM50199522 C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4|
BDBM50199523 CN(CCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:34,61,THB:31:30:18:20.21.27,49:50:41:52.55.53,45:44:41:52.55.53|
BDBM50199524 CN(CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:38,65,TLB:35:34:22:24.25.31,THB:53:54:45:56.59.57,49:48:45:56.59.57|
BDBM50199525 CN(CCCCCCN(C)Cc1cccc2ccccc12)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:46,THB:41:40:28:30.31.37|
BDBM50149891 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC
BDBM50131883 C1N[c+]2ccn(Cc3cccc(Cn4cc[c+](NCc5ccc1cc5)cc4)c3)cc2
BDBM50074263 OCc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
BDBM50074264 CN(CCCCNc1ccc(nn1)-c1ccccc1)Cc1ccccc1
BDBM92962 Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
BDBM92961 Cc1c(CCOP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
BDBM50119786 C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
BDBM50119787 C(CCCC[n+]1cccc2ccccc12)CCC[n+]1cccc2ccccc12
BDBM50119789 C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
BDBM50040645 CCN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NC(=O)c1ccccc1
BDBM50040646 COc1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040647 NC(NCCC1CCN(Cc2ccccc2)CC1)=Nc1ccccc1 |w:18.20|
BDBM50040648 ONC(NCCC1CCN(Cc2ccccc2)CC1)=Nc1ccccc1 |w:19.21|
BDBM50040649 S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
BDBM50040650 [O-][N+](=O)[CH-]\C(NCCC1CCN(Cc2ccccc2)CC1)=[NH+]/Cc1ccccc1
BDBM50040651 COc1ccc(NC(=[SH+])[N-]CCC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1OC
BDBM50040652 S=C(NCCC1CCN(Cc2ccccc2)CC1)NCc1ccccc1
BDBM50040653 S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccncc1
BDBM50040654 CN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NC(=O)c1ccccc1
BDBM50040655 O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(=O)c1ccccc1
BDBM50133957 CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)[C@H]2[C@@H](C)[C@H]2C)cc1
BDBM50135154 C\C=C(/C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@H]2[C@H]1OC(C)=O)[C@H](C)N(C)C
BDBM50135155 CC(C)C(\C)=C\C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1
BDBM50135156 C\C=C(/C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC[C@H]2[C@H]1OC(C)=O)[C@H](C)N(C)C |c:20|
BDBM50135157 [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#7](-[#6])-[#6]
BDBM50135158 C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:25|
BDBM50135159 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)\C=C\c1ccccc1)N(C)C |r|
BDBM50135160 C\C=C(/C)C(=O)NC1C=C2CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O |t:8,15|
BDBM50199515 CN(CCCCCCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:32,57,THB:29:28:16:18.19.25,45:46:37:48.51.49,41:40:37:48.51.49|
BDBM50199516 CN(CCCCCCCCCCCCN(C)Cc1ccccn1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:47,THB:43:42:30:32.33.39|
BDBM50199517 CCCN(CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)n1c2C[C@@H]3C=C(C)C[C@]4(NCCC[C@H]34)c2ccc1=O |c:27,t:37,TLB:24:23:11:13.14.20,44:43:42:36.33.34,29:30:42:36.33.34|
BDBM50199518 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23 |r,t:1,THB:0:1:4.5.11:18|
BDBM50199519 CN(CCCCCCCCCCN(C)Cc1ccc(F)cc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:46,THB:42:41:29:31.32.38|
BDBM50199520 CN(CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:36,63,THB:51:52:43:54.57.55,33:32:20:22.23.29,47:46:43:54.57.55|
BDBM50008689 C\C=C1/C2CCC[C@]1(N)c1ccc(=O)[nH]c1C2 |TLB:10:9:2:6.4.5|
BDBM50194098 Clc1ccc2c(c1)nc1CCCn1\c2=N\CCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
BDBM50194099 C(CCC\N=c1\n2CCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCc2nc2ccccc12
BDBM50194100 N=c1n2CCCCCCc2nc2ccccc12
BDBM50194101 C(CCCC\N=c1/n2CCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCc2nc2ccccc12
BDBM50055180 COc1ccc(C)c(c1)[N+](C)(C)C
BDBM50055181 CN1C2[N@H+](C)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(Cl)cc3)ccc12
BDBM50055183 CCC(=O)Oc1cccc(c1C)[N+](C)(C)C
BDBM50055179 C[N+]1(C)CCO[C@](O)(C1)c1ccc(cc1)[N+]([O-])=O
BDBM50055189 CC(=O)Nc1cccc(c1)[N+](C)(C)C
BDBM50055190 C[N+](C)(C)c1cccc(c1)[N+]([O-])=O
BDBM50055192 CC(=O)Oc1cc(ccc1C)[N+](C)(C)C
BDBM50055193 CCC(=O)Oc1cc(ccc1C)[N+](C)(C)C
BDBM50135150 CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C(C)=O)[C@@]4(C)CC[C@H]23)C1
BDBM50135151 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C
BDBM50135152 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(C)=O)N(C)C
BDBM50033524 CC(C)n1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
BDBM50133410 COc1ccc2nc3CCCCc3c(NCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
BDBM50133411 COc1ccc2nc3CCCCc3c(NCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
BDBM50133413 COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
BDBM50133412 COc1ccc2nc3CCCCc3c(NCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
BDBM50133414 COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
BDBM50133415 COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
BDBM50133416 COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
BDBM50133421 Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
BDBM50133449 Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50190764 CCCCC(CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
BDBM50190765 CCCC(CC1(CCCC1)C(=O)NCc1ccc2OCOc2c1)C(O)=O
BDBM50122491 C(CCNc1c2CCCCc2nc2ccccc12)CCSc1c2CCCCc2nc2ccccc12
BDBM50122492 CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
BDBM50011777 C[n+]1ccn(CC[NH+]2CCCC2)c1CN=O
BDBM50011778 C[n+]1ccn(COCCS(C)(=O)=O)c1CN=O
BDBM50011779 CN(CCn1cc[n+](C)c1CN=O)S(C)(=O)=O
BDBM50011780 C[n+]1ccccc1CN=O
BDBM50011781 C[n+]1ccn(COCC(C)(C)[N+]([O-])=O)c1[CH-]N=[OH+]
BDBM50190782 CCCC(CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](C1)C(N)=O)C(O)=O
BDBM50033521 [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cccc(Cl)c3)-c2ccc1=O
BDBM50013786 Cc1nccc2c3ccccc3[nH]c12
BDBM50092271 SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|
BDBM50206194 COC(=O)C(C)NC(=O)COc1ccc(C=O)cc1 |w:4.4|
BDBM50206195 COC(=O)CNC(=O)COc1ccc(C=O)cc1
BDBM50206196 COC(=O)CCC(NC(=O)COc1ccc(C=O)cc1)C(=O)OC |w:6.6|
BDBM50133450 Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50145829 Nc1ccc(cc1)C(O)=O
BDBM50224137 CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1ccc(Cl)cc1
BDBM50224138 CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(C)(C)C
BDBM50224139 CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1ccccc1Cl
BDBM50224140 CN(C(=O)Oc1ccc(Oc2c(Cl)cncc2Cl)cc1)c1ccccc1
BDBM50224141 CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1cccc(Cl)c1
BDBM50224142 CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1ccccc1C
BDBM50224143 Clc1cnc(Oc2ccc(OC(=O)N3CCOCC3)cc2)c(Cl)c1
BDBM50224144 CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1ccccc1
BDBM50224145 CN(C)C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
BDBM50224146 CC1CCCN(C1)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1 |w:1.0|
BDBM50224147 CC(C)N(C)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
BDBM50224154 CN(C(=O)Oc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1
BDBM50224155 FC(F)(F)c1ccc(Oc2ccc(OC(=O)N3CCCCC3)cc2)nc1
BDBM50224156 CN(C1CCCCC1)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
BDBM50224158 COc1ccccc1N(C)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
BDBM50224159 CC1CCCCN1C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1 |w:1.0|
BDBM50154640 C(c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1 |(4.21,-2.95,;2.68,-2.95,;1.91,-4.28,;.37,-4.28,;-.39,-2.95,;-1.93,-2.95,;-2.71,-1.62,;-2.68,-.1,;-4.01,.72,;-5.34,-.03,;-5.38,-1.57,;-4.05,-2.36,;-6.67,.76,;-6.64,2.3,;-7.95,3.1,;-9.3,2.37,;-9.33,.83,;-8.02,.02,;.37,-1.62,;1.91,-1.62,;4.98,-1.62,;3.65,-.87,;3.64,.67,;4.98,1.45,;6.31,.69,;6.31,-.85,;4.97,2.98,;6.31,3.75,;6.3,5.27,;4.98,6.06,;3.65,5.27,;3.65,3.73,)|
BDBM50154642 C(c1ccc(cc1)-c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1 |(-4.88,-2.66,;-3.33,-2.66,;-2.58,-1.33,;-1.03,-1.33,;-.26,-2.66,;-1.03,-3.99,;-2.58,-3.99,;1.28,-2.66,;2.05,-1.33,;3.58,-1.32,;4.37,-2.66,;5.91,-2.66,;6.68,-1.33,;8.21,-1.33,;8.99,,;8.21,1.34,;6.65,1.34,;5.91,,;8.98,2.68,;10.51,2.68,;11.28,4.01,;10.51,5.34,;8.98,5.34,;8.21,4.01,;3.58,-3.99,;2.05,-3.99,;-5.66,-1.33,;-7.02,-2.05,;-8.34,-1.23,;-8.29,.29,;-6.93,1.02,;-5.61,.21,;-9.59,1.1,;-9.55,2.65,;-10.86,3.47,;-12.19,2.75,;-12.26,1.2,;-10.95,.38,)|
BDBM50154643 C(c1cccc(c1)-c1cccc(Cn2ccc(cc2)=[N+]2CCCC2)c1)n1ccc(cc1)=[N+]1CCCC1 |(-4.02,.24,;-3.24,-1.11,;-4,-2.43,;-3.24,-3.77,;-1.7,-3.77,;-.93,-2.43,;-1.7,-1.11,;.62,-2.43,;1.38,-3.77,;2.93,-3.77,;3.71,-2.43,;2.93,-1.09,;3.69,.26,;5.22,.26,;6,-1.08,;7.54,-1.08,;8.31,.29,;7.53,1.61,;5.98,1.59,;9.86,.29,;10.75,-.97,;12.22,-.47,;12.2,1.07,;10.75,1.54,;1.38,-1.11,;-5.55,.21,;-6.92,-.5,;-8.22,.32,;-8.17,1.86,;-6.82,2.57,;-5.5,1.76,;-9.5,2.69,;-9.58,4.22,;-11.07,4.59,;-11.88,3.28,;-10.91,2.11,)|
BDBM50154645 C(c1cccc(Cn2ccc(cc2)=[N+]2CCCC2)c1)n1ccc(cc1)=[N+]1CCCC1 |(-2.65,-3.2,;-1.32,-3.97,;-1.32,-5.51,;.01,-6.28,;1.34,-5.51,;1.34,-3.97,;2.68,-3.2,;2.67,-1.66,;4,-.89,;4,.65,;2.64,1.42,;1.33,.65,;1.33,-.91,;2.64,2.96,;3.88,3.87,;3.41,5.31,;1.87,5.31,;1.38,3.85,;.01,-3.2,;-2.65,-1.66,;-1.31,-.89,;-1.32,.65,;-2.66,1.42,;-4.01,.65,;-4.01,-.89,;-2.66,2.96,;-3.91,3.87,;-3.45,5.32,;-1.91,5.34,;-1.42,3.87,)|
BDBM50154646 C[N+](c1ccccc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccccc3)c2)cc1 |(-11.04,1.1,;-9.69,1.83,;-9.62,3.35,;-8.27,4.07,;-8.2,5.61,;-9.5,6.44,;-10.86,5.71,;-10.92,4.17,;-8.39,1.01,;-8.44,-.53,;-7.12,-1.35,;-5.76,-.64,;-4.22,-.61,;-3.44,-1.95,;-4.2,-3.28,;-3.44,-4.62,;-1.9,-4.62,;-1.13,-3.28,;-1.9,-1.95,;.41,-3.28,;1.18,-4.62,;2.71,-4.62,;3.48,-3.28,;2.71,-1.94,;3.48,-.6,;5,-.6,;5.78,-1.93,;7.32,-1.93,;8.09,-.58,;7.3,.76,;5.75,.74,;9.63,-.58,;10.41,-1.91,;10.39,.76,;11.91,.76,;12.65,2.07,;11.9,3.39,;10.36,3.37,;9.61,2.04,;1.17,-1.95,;-5.7,.89,;-7.02,1.73,)|
BDBM50154649 C(c1cccc(Cn2ccc(cc2)=[N+]2CCCCC2)c1)n1ccc(cc1)=[N+]1CCCCC1 |(-2.65,-3.58,;-1.33,-4.34,;-1.33,-5.89,;,-6.65,;1.34,-5.89,;1.34,-4.32,;2.68,-3.55,;2.66,-2.01,;3.97,-1.24,;3.97,.3,;2.66,1.05,;1.31,.27,;1.34,-1.27,;2.64,2.58,;3.97,3.35,;3.97,4.89,;2.66,5.64,;1.34,4.89,;1.34,3.33,;,-3.55,;-2.65,-2.01,;-1.31,-1.24,;-1.33,.3,;-2.65,1.07,;-3.99,.3,;-3.99,-1.24,;-2.66,2.61,;-1.33,3.36,;-1.35,4.89,;-2.66,5.65,;-4.01,4.89,;-4.01,3.35,)|
BDBM50154660 C(c1ccc(cc1)-c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)n1ccc(cc1)=[N+]1CCCC1 |(-4.9,-2.46,;-3.36,-2.46,;-2.61,-1.12,;-1.07,-1.12,;-.3,-2.46,;-1.07,-3.79,;-2.61,-3.79,;1.24,-2.46,;2.01,-1.12,;3.55,-1.12,;4.32,-2.46,;5.86,-2.46,;6.63,-1.12,;8.17,-1.12,;8.92,.2,;8.17,1.53,;6.6,1.53,;5.86,.2,;8.92,2.89,;10.45,3.03,;10.76,4.54,;9.43,5.31,;8.28,4.27,;3.55,-3.79,;2.01,-3.79,;-5.69,-1.12,;-7.04,-1.85,;-8.35,-1.03,;-8.32,.49,;-6.95,1.21,;-5.64,.4,;-9.63,1.31,;-9.72,2.82,;-11.21,3.19,;-12.02,1.88,;-11.05,.72,)|
BDBM50119805 C(CCCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1
BDBM50119780 C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1
BDBM50119781 C(CCCC[n+]1ccccc1)CCCC[n+]1ccccc1
BDBM50119783 C(CC[n+]1ccccc1)CC[n+]1ccccc1
BDBM50119784 C(CCC[n+]1ccccc1)CC[n+]1ccccc1
BDBM50102754 Cc1cc(nnc1NCCC1CCN(Cc2ccccc2)CC1)-c1ccccc1
BDBM50102755 Clc1ccccc1-c1ccc(NCCC2CCN(Cc3ccccc3)CC2)nn1
BDBM50102757 CC(C)c1cc(nnc1NCCC1CCN(Cc2ccccc2)CC1)-c1ccccc1
BDBM50033522 CCCn1c2CCCC(NCCc3c[nH]c4ccccc34)c2ccc1=O
BDBM50033523 [#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-[#6]-2-[#6]-[#6]-[#6]-c3c-2ccc(=O)n3-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]-[#6]
BDBM50004019 O=C(C1CCCCC1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50004020 O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
BDBM50004021 CN(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
BDBM50004022 O=C1N(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12
BDBM50004023 CN1CCC(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)CC1
BDBM50004024 CCN(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50004026 O=C1Cc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1
BDBM50004027 CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50004028 CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
BDBM50164635 O=C1CN(CCN2CCOCC2)C(=O)CN1CCC(c1ccccc1)c1ccccc1
BDBM50164636 CC(C)N(CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC1=O)C(C)C
BDBM50055157 CCC(=O)Oc1cccc(c1)[N+](C)(C)C
BDBM50055159 CC(=O)CCC[N+](C)(C)C
BDBM50055160 CCN(CC)C(=O)Oc1ccc2N(C)C3[N@H+](C)CC[C@@]3(C)c2c1
BDBM50055161 C[N+]1(C)CCO[C@](O)(C1)c1ccc(cc1)C#N
BDBM50055162 COc1cccc(c1C)[N+](C)(C)C
BDBM50055163 Cc1c(O)cccc1[N+](C)(C)C
BDBM50055164 C[N+](C)(C)CCS
BDBM50055165 C[N+](C)(C)CC=C
BDBM50055166 CCCCCC[N+](C)(C)C
BDBM50039734 Brc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
BDBM50100134 CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C
BDBM50135148 CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:21|
BDBM50224133 CCCCNC(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
BDBM50224134 FC(F)(F)c1ccc(Oc2ccc(OC(=O)N3CCCC3)cc2)nc1
BDBM50224136 Clc1cnc(Oc2ccc(OC(=O)N3CCCC3)cc2)c(Cl)c1
BDBM50224160 CN(C(=O)Oc1ccc(Nc2ccc(cn2)C(F)(F)F)cc1)c1ccccc1
BDBM50004668 CN(C)Cc1ccc(CSCCNc2cc(Oc3ccc(cc3)[N+]([O-])=O)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004669 CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50004670 CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004671 CCCCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50004672 CN(C)Cc1ccc(CSCCNc2cc(Nc3ncccc3[N+]([O-])=O)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004673 CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+]([O-])=O)o1
BDBM50004674 CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004675 CN(C)Cc1ccc(CSCCNc2cccc(F)c2C#N)o1
BDBM50032160 O=C1Cc2c(N1)ccc1c(CCC3CCN(Cc4ccccc4)CC3)noc21
BDBM50119797 C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
BDBM50119798 C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1
BDBM50119799 C(CCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12
BDBM50084227 CCN(CC)c1nc2sc(C(N)=O)c(C)c2c(=O)o1
BDBM50146883 COC(=O)CCc1ccc2OP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |c:18|
BDBM50146889 Cc1cn(C2OC(COP3(=O)OCc4c(O3)ccc3ccccc43)C=C2)c(=O)[nH]c1=O |c:27|
BDBM50025129 CC[N+](C)(CC)CCSC(N=O)C(=O)c1ccc(OC)cc1
BDBM50025130 CN(C)CCSC(N=O)C(=O)c1ccc(Br)cc1
BDBM50025131 CC(C)N(CCSC(N=O)C(=O)c1ccc(Cl)cc1)C(C)C
BDBM50025132 CN(C)CCSC(N=O)C(=O)c1ccc(C)cc1
BDBM50025133 CCN(CC)CCSC(N=O)C(=O)c1ccc(Cl)cc1
BDBM50135149 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C
BDBM50146879 CCOC(=O)CC1OP(=O)(OCC2OC(C=C2)n2cc(C)c(=O)[nH]c2=O)Oc2cccc(Cl)c12 |c:15|
BDBM50146880 Cc1cccc2COP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(C)c(=O)[nH]c3=O)Oc12 |r|
BDBM50146881 Cc1cn(C2OC(COP3(=O)OCc4c(Cl)cccc4O3)C=C2)c(=O)[nH]c1=O |c:23|
BDBM50025134 CN(C)CCSC(N=O)C(=O)c1ccc(Cl)cc1
BDBM50025135 Cc1ccc(cc1)C(=O)C(SCC[N+](C)(C)C)N=O
BDBM50025136 CCN(CC)CCSC(N=O)C(=O)c1ccccc1
BDBM50025137 CN(C)CCCSC(N=O)C(=O)c1ccc(Br)cc1
BDBM50025127 CC[N+](C)(CC)CCSC(N=O)C(=O)c1ccc(F)cc1
BDBM50025128 CC[N+](C)(CC)CCSC(N=O)C(=O)c1ccc(Cl)cc1
BDBM50176465 CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |c:25,t:15|
BDBM50176466 CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |c:12|
BDBM50176467 CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
BDBM50171920 OC(C(=O)c1cccs1)c1cccs1
BDBM50171921 O=C(C(=O)c1ccsc1)c1ccsc1
BDBM50171922 O=C(C(=O)c1cccs1)c1cccs1
BDBM50171923 OC(C(=O)c1ccco1)c1ccco1
BDBM50164634 CCN(CC)CCCN1CC(=O)N(CC1=O)C1CC1
BDBM50224161 COc1ccc(cc1)N(C)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
BDBM50224162 CC1CN(CC(C)O1)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1 |w:1.0,5.5|
BDBM50224163 FC(F)(F)c1ccc(Oc2ccc(OC(=O)N3CCCc4ccc(cc34)C(F)(F)F)cc2)nc1
BDBM50206197 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(C=O)cc1 |w:4.4|
BDBM50206198 COC(=O)C(Cc1ccccc1)NC(=O)COc1ccc(C=O)cc1 |w:4.4|
BDBM50224148 CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1ccc(C)cc1
BDBM50224149 CN(C(=O)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)c1ccccc1
BDBM50224150 CCN(Cc1ccccc1)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
BDBM50224151 CC1CCN(CC1)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
BDBM50224152 OC1CCN(CC1)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
BDBM50224153 FC(F)(F)c1ccc(Oc2ccc(OC(=O)N3CCc4ccccc4C3)cc2)nc1
BDBM50012004 C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccccc1
BDBM50039715 C(Cc1nsc2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50039717 COc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
BDBM50039718 N#Cc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
BDBM50039719 Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
BDBM50039720 C(Cc1n[nH]c2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50039721 C(Cc1noc2cc(ccc12)N1CCOCC1)C1CCN(Cc2ccccc2)CC1
BDBM50033508 Cn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
BDBM50054095 [NH2+]=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[NH2+])c5ccccc45)cc3)cc2)c2ccccc12
BDBM50033516 CC(=C)Cn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
BDBM50064050 Cc1cn(C2OC(COP3(=O)OCc4ccccc4O3)C=C2)c(=O)[nH]c1=O |c:22|
BDBM50064051 Cc1ccc2OP(=O)(OC[C@H]3O[C@H](C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |r,c:13|
BDBM50064055 Cc1cc(C)c2OP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |c:14|
BDBM50135146 C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:19,25|
BDBM50135147 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:22|
BDBM50038691 CNCCc1c[nH]c2ccc(OC)cc12
BDBM50047730 N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCCCC2)o1 |t:5|
BDBM50199526 CN(CCCCCCCCCCN(C)Cc1ccccn1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:45,THB:41:40:28:30.31.37|
BDBM50199527 CN(CCCCCCCCCCN(C)Cc1cccnc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:45,THB:41:40:28:30.31.37|
BDBM50199528 CN(CCCCCCCCCCCCN(C)Cc1ccc(F)cc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:48,THB:44:43:31:33.34.40|
BDBM50199529 CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:40,67,THB:32:33:24:35.36.38,28:27:24:35.36.38,55:56:47:58.59.61,51:50:47:58.59.61|
BDBM50199530 CN(CCCCCCCCCCN(C)Cc1cccc2ccccc12)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:50,THB:45:44:32:34.35.41|
BDBM50199531 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCN(CC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:53,t:1,TLB:0:1:14:4.5.11,THB:37:36:33:44.47.45,41:42:33:44.47.45|
BDBM50199532 COc1ccccc1CN(C)CCCCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:49,THB:45:44:32:34.35.41|
BDBM50047751 CN=C(NCCNCc1ccc(CN2CCCC2)o1)C(C#N)C#N |w:1.0|
BDBM50047752 CCN(C)Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 |c:16|
BDBM50011996 C[N+](C)(C)CC1OCCCO1
BDBM50011998 C[N+](C)(CC1OCCCO1)CC(=O)c1ccccc1
BDBM50133817 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
BDBM50055184 C[N+]1(C)CCO[C@](O)(C1)c1ccc(N)cc1
BDBM50055185 Cc1ccc(O)cc1[N+](C)(C)C
BDBM50055186 C[N+](C)(C)c1cccc(O)c1
BDBM50055187 COc1cccc(c1)[N+](C)(C)C
BDBM50055188 CC(=O)Oc1ccc(C)c(c1)[N+](C)(C)C
BDBM50391522 Oc1ccccc1CNCCNc1c2CCCCc2nc2ccccc12
BDBM50391523 Oc1ccccc1CNCCCNc1c2CCCCc2nc2ccccc12
BDBM50391524 Oc1ccccc1CNCCCCNc1c2CCCCc2nc2ccccc12
BDBM50391525 Oc1ccccc1CNCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM50391526 Oc1ccccc1CNCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM50391527 Oc1ccccc1CNCCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM50391528 Oc1ccccc1CNCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50391529 Oc1ccccc1CNCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50033499 Clc1ccc(CCNC2CCCc3c2ccc(=O)n3Cc2ccccc2)cc1Cl
BDBM50033500 CCCCCCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
BDBM50033501 Cn1c2CCCC(NCCc3ccc(cc3)C(F)(F)F)c2ccc1=O
BDBM50033503 O=c1ccc2C(CCCc2[nH]1)NCCc1ccccc1
BDBM50033504 Cc1ccc(CCNC2CCCc3c2ccc(=O)n3C)cc1
BDBM50033505 CCCn1c2CCCC(NC3Cc4ccccc4C3)c2ccc1=O
BDBM50033506 [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7])-c2ccc1=O
BDBM50033507 [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cc(Cl)ccc3Cl)-c2ccc1=O
BDBM50033489 Cn1c2CCCC(NCCc3ccc(Cl)cc3)c2ccc1=O
BDBM50033490 CC1(N)CCCc2[nH]c(=O)ccc12
BDBM50033491 [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccccc3Cl)-c2ccc1=O
BDBM50033492 CCCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
BDBM173569 Clc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c(Cl)c1
BDBM173570 Clc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM173571 [O-][N+](=O)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O
BDBM173572 COc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
BDBM173573 O=C(NC(=S)NC1CCCCC1)c1cc2ccccc2oc1=O
BDBM173574 O=C(NNS(=O)(=O)c1ccccc1)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccccc1)C(=O)NNS(=O)(=O)c1ccccc1
BDBM173577 Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1
BDBM173579 CC(C)(C)c1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(cc1)C(C)(C)C)C(=O)NNS(=O)(=O)c1ccc(cc1)C(C)(C)C
BDBM173580 CS(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(C)(=O)=O)C(=O)NNS(C)(=O)=O
BDBM173581 CCS(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)CC)C(=O)NNS(=O)(=O)CC
BDBM173562 Cc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
BDBM173563 COc1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O
BDBM173564 Fc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
BDBM173565 Clc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1Cl
BDBM173566 Clc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
BDBM173567 Fc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1Cl
BDBM173568 Clc1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O
BDBM50224164 CN(C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccccc1
BDBM50224165 FC(F)(F)c1ccc(Oc2ccc(OC(=O)N3CCOCC3)cc2)nc1
BDBM50224166 FC(F)(F)c1ccc(Oc2ccc(OC(=O)N3CCc4ccccc34)cc2)nc1
BDBM50224167 CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1cccc(C)c1
BDBM50224168 FC(F)(F)c1ccc(Oc2ccc(OC(=O)N3Cc4ccccc4C3)cc2)nc1
BDBM50224170 CN(C(=O)Oc1ccc(Oc2ccccc2)cc1)c1ccccc1
BDBM50224171 CN(Cc1ccccc1)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
BDBM50153006 Cc1nn(cc1-c1nsc(Nc2ccccc2)n1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50153007 COc1ccc(cc1)-c1cc(nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1)-c1ccc(cc1)N(C)C
BDBM50153008 COc1ccc(cc1)\N=C\c1cn(cc1\C=N\c1ccc(OC)cc1)-c1ccc(OC)cc1
BDBM50153009 Oc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccccc1O |c:10|
BDBM50153010 CN(C)c1ccc(cc1)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
BDBM50153011 CC(C)Cc1ccc(cc1)C(=O)CC(Sc1ccccc1N)c1cccc(c1)[N+]([O-])=O
BDBM50153014 Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(N)cc1O
BDBM50153016 Cc1c(N)c2c(cc1\N=C\c1ccccc1O)C(C)(C)CC2(C)C
BDBM50153017 Oc1nc(Nc2ccc(cc2)C2CCCCC2)sc1CC(=O)Nc1ccc(OC(F)(F)F)cc1
BDBM50272489 [#6]-[#6@H](-[#7](-[#6])-[#6])-[#6]1=[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8])-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6] |r,t:5|
BDBM50052409 Nc1c2CCC(O)Cc2nc2ccccc12
BDBM50052410 Nc1c2CCCC(O)c2nc2ccccc12
BDBM50052411 Nc1c2CC(O)CCc2nc2ccccc12
BDBM50179308 O=c1oc(nc2sc3CN(Cc4ccccc4)CCc3c12)N1CCOCC1
BDBM50179309 CC(C)Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)s1
BDBM50179310 Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
BDBM50067482 COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC
BDBM50102743 CCCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1
BDBM50240416 CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
BDBM50240432 CC(C)c1ccc(C)cc1O
BDBM50119779 C(CCCCC[n+]1ccccc1)CCCC[n+]1ccccc1
BDBM50025246 C[n+]1c(CCO[n+]2ccc(cc2)C(N)=O)cccc1CN=O
BDBM50025247 CCN(CC)CCSC(N=O)c1nc(no1)C(C)(C)C
BDBM50025248 O=NCc1nc(Cc2ccccc2)no1
BDBM50025249 Cc1noc(CN=O)n1
BDBM50025250 O=NCc1nc(no1)-c1cccc2ccccc12
BDBM50025251 CCN(CC)CCSC(N=O)c1nc(no1)-c1cccc2ccccc12
BDBM50039711 C(Nc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50039712 COc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1
BDBM50039713 COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
BDBM50102762 O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(nn1)-c1ccccc1
BDBM50016935 CCN(CC)CCSP1(=O)OCCCO1
BDBM50016936 CS([O-])(=O)=O.CC[N+](C)(CC)CCSP1(=O)OCCCO1
BDBM50016937 CC(C)N(CCSP1(=O)OCCCO1)C(C)C
BDBM50016938 CS([O-])(=O)=O.C[N+](C)(C)CCSP1(=O)OCCCO1
BDBM50016939 CCOP(=O)(OCC)SCCN(C)C
BDBM50016940 [I-].CCOP(=O)(OCC)SCC[N+](C)(C)C
BDBM50047744 O=c1[nH]c2ccccc2n1CCNCc1ccc(CN2CCCCC2)o1
BDBM50047745 N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCCC2)o1 |t:5|
BDBM50047747 CC1CCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)CC1 |c:17|
BDBM50047748 CC1CCCC(C)N1Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 |c:21|
BDBM50047749 CN=C(NCCNCc1ccc(CN(C)C)o1)C(C#N)C#N |w:1.0|
BDBM50047733 CN=C(NCCNCc1ccc(CN(C(C)C)C(C)C)o1)C(C#N)C#N |w:1.0|
BDBM50047734 N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCOCC2)o1 |t:5|
BDBM50047735 COc1cc(N)c(Cl)cc1C(=O)NCCNCc1ccc(CN(C)C)o1
BDBM50047736 N#CC(C#N)c1nc2ccccc2n1CCNCc1ccc(CN2CCCCC2)o1
BDBM50047737 N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCSCC2)o1 |t:5|
BDBM50047739 CN1CCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)CC1 |c:17|
BDBM50047740 CNc1c(NCCNCc2ccc(CN3CCCCC3)o2)c(=O)c1=O
BDBM50047741 OC1CCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)CC1 |c:17|
BDBM50047742 CC1CCCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)C1 |c:18|
BDBM50004036 O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccncc1
BDBM50004037 Fc1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50004038 O=c1n(CCC2CCN(Cc3ccccc3)CC2)ccc2ccccc12
BDBM153265 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
BDBM50087655 C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1 |(8.88,-5.63,;10.21,-6.38,;11.54,-5.61,;12.87,-6.38,;14.2,-5.61,;14.2,-4.07,;15.53,-3.29,;16.86,-4.05,;16.88,-5.59,;18.22,-6.36,;19.55,-5.58,;19.53,-4.02,;18.19,-3.28,;20.88,-6.33,;20.78,-7.88,;21.91,-8.92,;23.44,-8.67,;24.19,-7.33,;23.61,-5.91,;22.14,-5.46,;12.86,-3.3,;11.53,-4.09,;7.55,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.95,;3.53,-8.72,;2.2,-7.95,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.95,;.89,-8.72,;-1.79,-5.63,;-1.67,-4.09,;-2.82,-3.04,;-4.33,-3.29,;-5.11,-4.62,;-4.54,-6.05,;-3.06,-6.5,;6.21,-8.72,;7.55,-7.95,)|
BDBM50087657 C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1 |(8.87,-5.62,;10.2,-6.38,;11.53,-5.61,;12.86,-6.38,;14.19,-5.61,;14.19,-4.07,;15.52,-3.29,;16.85,-4.04,;16.87,-5.58,;18.21,-6.35,;19.54,-5.58,;19.51,-4.02,;18.18,-3.27,;20.87,-6.33,;22.2,-5.55,;23.53,-6.32,;23.54,-7.86,;22.2,-8.64,;20.87,-7.87,;12.86,-3.3,;11.53,-4.08,;7.54,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.94,;3.53,-8.71,;2.2,-7.94,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.94,;.89,-8.71,;-1.79,-5.63,;-1.79,-4.09,;-3.12,-3.32,;-4.45,-4.09,;-4.46,-5.63,;-3.12,-6.4,;6.21,-8.71,;7.54,-7.94,)|
BDBM50087663 C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(8.87,-5.62,;10.2,-6.38,;11.53,-5.61,;12.86,-6.38,;14.19,-5.61,;14.19,-4.07,;15.52,-3.29,;16.85,-4.04,;16.87,-5.58,;18.21,-6.35,;19.54,-5.58,;19.51,-4.02,;18.18,-3.27,;20.87,-6.33,;22.28,-5.7,;23.32,-6.84,;22.55,-8.17,;21.05,-7.86,;12.86,-3.3,;11.53,-4.08,;7.54,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.94,;3.53,-8.71,;2.2,-7.94,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.94,;.89,-8.71,;-1.79,-5.63,;-1.95,-4.09,;-3.45,-3.78,;-4.22,-5.11,;-3.19,-6.25,;6.21,-8.71,;7.54,-7.94,)|
BDBM50076440 Cc1cccc2COP(=O)(OCC3CCC(O3)n3cnc4c(N)ncnc34)Oc12
BDBM50017233 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
BDBM50064176 COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
BDBM50117573 C[NH+]1CCCC2C3Cc4[nH]c(=O)ccc4C12CC(C)=C3 |c:21,TLB:4:5:14.8.7:19.17.16,13:14:5:19.17.16,THB:9:8:5:19.17.16|
BDBM50117574 Cc1cc(nn1-c1ccccc1)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(5.62,-.38,;6.31,-1.76,;7.82,-2.01,;8.06,-3.52,;6.68,-4.21,;5.61,-3.13,;4.08,-3.34,;3.13,-2.15,;1.59,-2.36,;1.03,-3.81,;2.01,-5.02,;3.53,-4.78,;9.47,-2.9,;9.64,-1.36,;10.72,-3.8,;12.12,-3.17,;13.38,-3.81,;13.38,-5.37,;14.71,-6.14,;16.04,-5.37,;17.13,-4.27,;17.37,-6.14,;18.7,-5.37,;18.7,-3.83,;20.03,-3.06,;21.37,-3.83,;21.37,-5.37,;20.03,-6.14,;16.05,-3.83,;14.72,-3.06,)|
BDBM50117576 COc1ccc2cc(ccc2c1)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(-3.21,-6.68,;-1.98,-7.59,;-.58,-6.98,;-.39,-5.42,;1.03,-4.81,;2.27,-5.74,;3.67,-5.12,;4.91,-6.03,;4.76,-7.54,;3.36,-8.17,;2.08,-7.28,;.68,-7.89,;6.32,-5.4,;6.49,-3.86,;7.57,-6.3,;8.98,-5.68,;10.24,-6.32,;11.58,-5.56,;12.9,-6.33,;12.89,-7.87,;13.98,-6.77,;14.22,-8.64,;15.56,-7.87,;16.89,-8.64,;18.22,-7.87,;18.22,-6.33,;16.88,-5.56,;15.55,-6.33,;11.56,-8.64,;10.23,-7.86,)|
BDBM50117577 COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(.52,-5.47,;1.15,-6.88,;2.69,-7.05,;3.59,-5.8,;5.13,-5.96,;6.27,-4.92,;7.6,-5.69,;7.28,-7.21,;5.75,-7.37,;4.85,-8.61,;3.32,-8.45,;2.42,-9.7,;.89,-9.55,;9.01,-5.06,;9.17,-3.53,;10.25,-5.97,;11.67,-5.34,;12.94,-5.99,;12.93,-7.54,;14.26,-8.31,;15.6,-7.54,;16.68,-6.44,;16.93,-8.31,;18.27,-7.54,;18.26,-6.01,;19.59,-5.24,;20.93,-6.01,;20.93,-7.55,;19.6,-8.31,;15.6,-5.99,;14.27,-5.22,)|
BDBM50117578 C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCCOc3c2)CC1 |(20.14,-5.28,;19.05,-6.38,;20.38,-7.15,;21.72,-6.38,;23.05,-7.15,;24.38,-6.38,;24.38,-4.84,;23.04,-4.07,;21.71,-4.84,;19.05,-4.84,;17.74,-4.07,;16.4,-4.83,;15.14,-4.18,;13.73,-4.81,;12.48,-3.9,;12.65,-2.36,;11.07,-4.53,;10.92,-6.05,;9.52,-6.68,;8.26,-5.79,;6.84,-6.42,;5.58,-5.49,;5.75,-3.94,;7.19,-3.32,;8.43,-4.25,;9.83,-3.62,;16.39,-6.37,;17.72,-7.15,)|
BDBM50117579 C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCCCCc3c2)CC1 |(13.98,-6.77,;12.89,-7.87,;14.22,-8.64,;15.56,-7.87,;15.55,-6.33,;16.88,-5.56,;18.22,-6.33,;18.22,-7.87,;16.89,-8.64,;11.56,-8.64,;10.23,-7.86,;10.24,-6.32,;8.98,-5.68,;7.57,-6.3,;6.32,-5.4,;6.49,-3.86,;4.91,-6.03,;4.76,-7.54,;3.36,-8.17,;2.08,-7.28,;.75,-8.13,;-.79,-7.68,;-1.38,-6.11,;-.53,-4.72,;1.08,-4.53,;2.27,-5.74,;3.67,-5.12,;11.58,-5.56,;12.9,-6.33,)|
BDBM50117580 C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1 |(5.9,-6.04,;5.9,-4.5,;4.57,-5.27,;3.23,-4.5,;1.9,-5.27,;.57,-4.5,;.57,-2.95,;1.9,-2.18,;3.23,-2.95,;5.9,-2.95,;7.23,-2.18,;8.57,-2.95,;9.92,-2.18,;11.25,-2.95,;12.59,-2.18,;12.59,-.64,;13.92,-2.95,;15.25,-2.18,;16.59,-2.95,;16.59,-4.5,;18.04,-5.08,;18.48,-6.55,;17.61,-7.82,;16.09,-7.91,;15.02,-6.81,;15.25,-5.27,;13.92,-4.5,;8.57,-4.5,;7.23,-5.27,)|
BDBM50117582 COc1ccc2C[N+](C)(C)CC[C@@]34C=C[C@H](O)CC3Oc1c24 |c:13|
BDBM50117587 COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC
BDBM50117588 C[N@+]1(Cc2ccccc2)CC[C@H](CCC(=O)c2ccc3OCCc3c2)CC1 |wU:11.12,1.0,wD:1.1,(9.94,-2.22,;9.95,-.68,;11.28,-1.45,;12.62,-.68,;13.95,-1.45,;15.28,-.68,;15.28,.86,;13.94,1.63,;12.61,.86,;9.95,.86,;8.64,1.63,;7.3,.88,;6.04,1.52,;4.63,.9,;3.38,1.8,;3.55,3.34,;1.97,1.17,;1.82,-.35,;.42,-.98,;-.86,-.09,;-2.37,-.4,;-3.14,.96,;-2.09,2.12,;-.67,1.46,;.73,2.08,;7.29,-.66,;8.62,-1.45,)|
BDBM50117589 COc1cc2CC(C(O)C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC |(2.64,-10.43,;4.19,-10.44,;4.96,-9.1,;6.5,-9.1,;7.27,-7.77,;8.78,-7.47,;8.96,-5.92,;10.29,-5.15,;10.3,-3.61,;11.63,-5.94,;12.96,-5.18,;14.29,-5.95,;14.29,-7.49,;14.27,-9.03,;15.62,-8.26,;16.96,-7.49,;18.29,-8.26,;19.63,-7.49,;19.63,-5.94,;18.29,-5.17,;16.96,-5.94,;12.95,-8.26,;11.62,-7.48,;7.54,-5.29,;7.22,-3.79,;6.51,-6.44,;4.96,-6.41,;4.19,-7.75,;2.65,-7.75,;1.88,-6.41,)|
BDBM50153021 Fc1ccc(cc1)N(Cc1ccc2OCOc2c1)C(=S)Nc1cccc(c1)C(F)(F)F
BDBM50153022 CC(Cc1ccc(O)cc1)C1CCC(C)C(C1)c1ccc(O)cc1
BDBM50233367 [O-][N+](=O)OCC(=O)NCCCNc1c2CCCCc2nc2ccccc12
BDBM50233374 [O-][N+](=O)OCCCNCCCCNc1c2CCCCc2nc2ccccc12
BDBM50219247 CC(C)(C)c1ccc(cc1)C(=O)OCCCCN1CCC(CC1)OCc1ccccc1
BDBM50219248 O=C(OCCCCN1CCC(CC1)OCc1ccccc1)c1ccccc1
BDBM50219249 CC(C)(C)c1ccc(cc1)C(=O)OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
BDBM50047731 OC1CCCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)C1 |c:18|
BDBM50047732 CN(C)Cc1ccc(CNCCN2CCN=C2C[N+]([O-])=O)o1 |c:15|
BDBM50004034 O=C(Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12)c1ccccc1
BDBM50004035 CC(=O)Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50130262 C1Cc2c(CN1)[nH]c1ccccc21
BDBM50199548 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCCN(CC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:54,t:1,TLB:0:1:14:4.5.11,THB:38:37:34:45.48.46,42:43:34:45.48.46|
BDBM50199549 CN(CCCCCCCCCCN(C)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:37,63,THB:29:30:21:32.35.33,56:55:43:45.46.52,25:24:21:32.35.33|
BDBM50199550 CN(CCCCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:39,65,THB:36:35:23:25.26.32,53:54:45:56.59.57,49:48:45:56.59.57|
BDBM50199551 CN(CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:35,61,THB:32:31:19:21.22.28,54:53:41:43.44.50|
BDBM50199552 CN(CCCCCCCCN(C)Cc1ccccn1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:43,THB:39:38:26:28.29.35|
BDBM50199553 CN(CCCCCCCCN(C)Cc1ccc(F)cc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:44,THB:40:39:27:29.30.36|
BDBM50199554 COc1ccccc1CN(C)CCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:47,THB:43:42:30:32.33.39|
BDBM50199555 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN1CCCN(CCC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:56,t:1,TLB:0:1:14:4.5.11,THB:40:39:36:47.50.48,44:45:36:47.50.48|
BDBM50203126 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
BDBM50102726 Cc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1
BDBM50102729 CCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1
BDBM50102735 Clc1ccc(NCCC2CCN(Cc3ccccc3)CC2)nn1
BDBM50102737 C(CC1CCN(Cc2ccccc2)CC1)Nc1nnc(-c2ccccc2)c2ccccc12
BDBM50102738 C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2Cc3ccccc3-c2nn1
BDBM50039722 C(Oc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50039723 NC(=O)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
BDBM50039724 C(CC1CCN(Cc2ccccc2)CC1)Nc1noc2ccccc12
BDBM50167003 CCOC(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
BDBM50167005 CN(Cc1ccccc1)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
BDBM50127981 OC(=O)CCC(=O)Nc1cccc(c1)C(O)=O
BDBM50020539 COCn1cc[n+](CCCCC#C)c1CN=O
BDBM50020536 CCC(OC[n+]1ccn(C)c1CN=O)C#C
BDBM50020537 O=NCc1cc[n+](CCCCC#C)cc1
BDBM50020540 Cc1n(C)cc[n+]1COCCC#C
BDBM50020541 CC#CC(C)(C)OC[n+]1ccn(C)c1CN=O
BDBM50020542 O=NCc1cc[n+](COCCC#C)cc1
BDBM50020543 CC(OC[n+]1ccn(C)c1CN=O)C(C)C#C
BDBM50020544 Cn1c[n+](CCCCC#C)nc1CN=O
BDBM50020545 Cn1cc[n+](COCCC#C)c1CN=O
BDBM50020546 CCCC(OC[n+]1ccn(C)c1CN=O)C#C
BDBM50020547 CC#CC(C)OC[n+]1ccn(C)c1CN=O
BDBM50020548 Cn1cc[n+](COCCCC#C)c1CN=O
BDBM50117590 COc1cc2C[C@H]([C@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC |wU:6.6,wD:7.7,(2.6,-10.37,;4.14,-10.38,;4.91,-9.05,;6.45,-9.05,;7.22,-7.73,;8.73,-7.42,;8.9,-5.88,;10.23,-5.12,;10.24,-3.58,;11.57,-5.89,;12.91,-5.13,;14.23,-5.9,;14.22,-7.44,;14.22,-8.98,;15.55,-8.21,;16.89,-7.44,;18.22,-8.21,;19.56,-7.44,;19.56,-5.89,;18.22,-5.12,;16.89,-5.9,;12.89,-8.21,;11.56,-7.43,;7.5,-5.26,;7.17,-3.74,;6.46,-6.39,;4.93,-6.38,;4.15,-7.71,;2.61,-7.7,;1.85,-6.35,)|
BDBM50117591 C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCOc3c2)CC1 |(20.14,-5.28,;19.05,-6.38,;20.38,-7.15,;21.72,-6.38,;21.71,-4.84,;23.04,-4.07,;24.38,-4.84,;24.38,-6.38,;23.05,-7.15,;17.72,-7.15,;16.39,-6.37,;16.4,-4.83,;15.14,-4.18,;13.73,-4.81,;12.48,-3.9,;12.65,-2.36,;11.07,-4.53,;10.92,-6.05,;9.52,-6.68,;8.26,-5.79,;6.73,-6.1,;5.97,-4.74,;7.01,-3.6,;8.43,-4.25,;9.83,-3.62,;17.74,-4.07,;19.05,-4.84,)|
BDBM50117592 COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC
BDBM50117593 COc1cc2CC(C(O)c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC
BDBM50164633 CCN(CC)CCN1CC(=O)N(CCc2ccccc2)CC1=O
BDBM50022773 CNC(=O)Oc1ccc2N(C)C3N(CC[C@@]3(C)c2c1)C(=O)NC
BDBM50132717 CCCCCCCCCCCCP(F)(=O)OC(C)C
BDBM50199556 CN(CCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:29,55,THB:17:16:13:24.27.25,21:22:13:24.27.25,48:47:35:37.38.44|
BDBM50004033 O=C1Nc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1
BDBM50004029 C(CN1CCc2ccccc2C1)C1CCN(Cc2ccccc2)CC1
BDBM50004030 CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccncc1
BDBM50004031 [O-][N+](=O)c1ccc2C(=O)N(C3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50004032 O=c1n(CCC2CCN(Cc3ccccc3)CC2)cnc2ccccc12
BDBM50004017 COc1cccc(c1)N(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
BDBM50004018 O=c1[nH]c2ccccc2c(=O)n1CCC1CCN(Cc2ccccc2)CC1
BDBM50146867 Cc1cccc2COP(=O)(OCC3OC(C=C3)n3cnc4c(N)ncnc34)Oc12 |c:15|
BDBM50146868 Cc1cccc2COP(=O)(OC[C@@H]3CC(C=C3)n3cnc4c(NC5CC5)nc(N)nc34)Oc12 |c:15|
BDBM50146869 Cc1cccc2COP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)N3CC(\C=C\Br)C(=O)NC3=O)Oc12 |r|
BDBM50146870 CC1OP(=O)(OCC2OC(C=C2)n2cc(C)c(=O)[nH]c2=O)Oc2cccc(Cl)c12 |c:10|
BDBM50146871 Cc1cccc2COP(=O)(OCC3OC(CC3=O)n3cc(C)c(=O)[nH]c3=O)Oc12
BDBM50146872 Cc1cccc2COP(=O)(OCC3CCC(O3)n3cc(C)c(=O)[nH]c3=O)Oc12
BDBM50146873 COC(=O)CCc1cccc2COP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)Oc12 |c:20|
BDBM50146874 Cc1cn(C2OC(COP3(=O)OCc4cc(CCC(O)=O)ccc4O3)C=C2)c(=O)[nH]c1=O |c:27|
BDBM50146875 Cc1cn(C2OC(COP3(=O)OCc4cccc(CCC(O)=O)c4O3)C=C2)c(=O)[nH]c1=O |c:27|
BDBM50146876 Cc1cn(C2OC(COP3(=O)OCc4cccc(CCC(=O)OC(C)(C)C)c4O3)C=C2)c(=O)[nH]c1=O |c:31|
BDBM50146877 CCC(C)c1ccc2OP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |c:16|
BDBM50146878 Cc1cccc2COP(=O)(OCC3CC(O)C(O3)n3cnc4c(N)ncnc34)Oc12
BDBM50166984 CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C
BDBM50146884 Cc1cn(C2OC(COP3(=O)OCc4c(F)c(cc(c4O3)C(C)(C)C)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:31|
BDBM50083538 COC1CCc2nc(OC)ccc2C1(C)NCC1CCN(Cc2ccccc2)CC1
BDBM50020549 CC(OC[n+]1ccn(C)c1CN=O)C#C
BDBM50041520 O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1
BDBM50276756 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1
BDBM50070014 C[C@@H]1[C@@H](Oc2ccc(cc2)C(=O)C(C)(C)C)N(C(=O)NCc2ccccc2)C1=O
BDBM50149204 C(CCCNc1ccccc1)CCCNc1c2CCCCc2nc2ccccc12
BDBM50149212 C(CCCNC1=C2CCCCC2=NC2C=CCC=C12)CCCNc1c2CCCCc2nc2ccccc12 |c:5,12,15,t:18|
BDBM50130146 CCOC(=O)O[C@@H]1C[C@@H]2Oc3c(c(CCl)ccc3OC)[C@]2(CCN(C)C(=O)OCC)C=C1 |c:32|
BDBM50391530 Oc1ccccc1CNCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50175892 CC1(C)CC[C@@]2(CC[C@]3(C)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]2C1)C(O)=O |r,c:10|
BDBM50276617 C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
BDBM50276618 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1 |r|
BDBM50060582 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
BDBM50024715 CCCN1CCCC(C1)c1cccc(OC(=O)NC(C)C)c1
BDBM50025146 CCN(CC)CCSC(N=O)C(=O)c1ccc(cc1)C#N
BDBM50004040 [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50004041 [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1
BDBM50004042 COc1ccc(CN2CCC(CCN3C(=O)c4ccc(cc4C3=O)[N+]([O-])=O)CC2)cc1
BDBM50022772 CC(C)OP(F)(=O)OC(C)C
BDBM50022774 CNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc4)CC[C@@]3(C)c2c1
BDBM50022775 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
BDBM50022776 CNC(=O)Oc1ccc2N(C)C3N(CC=C)CC[C@@]3(C)c2c1
BDBM50008551 COc1ccc(OC)c2C(=O)C(C)Cc12
BDBM50008552 COc1cccc2C(=O)C(C)Cc12
BDBM50008553 CC1Cc2ccc(C)cc2C1=O
BDBM50008542 CCOc1cc2CC(C)C(=O)c2cc1OCC
BDBM50008543 Cc1ccc(O)cc1
BDBM50008544 Cc1ccc(F)cc1
BDBM50008545 Cc1ccc(cc1)[N+]([O-])=O
BDBM50008546 CC1Cc2ccccc2C1=O
BDBM50008547 COc1ccc2CC(C)C(=O)c2c1
BDBM50008548 Cc1cccc(O)c1
BDBM50008549 COc1cc2CC(C)C(=O)c2c(OC)c1
BDBM50008550 CC1Cc2cc3OCOc3cc2C1=O
BDBM50008554 CC1Cc2ccc(F)cc2C1=O
BDBM50008555 COc1ccc(C)cc1
BDBM50008556 Cc1cccc(C)c1
BDBM50008557 COc1cc2C(=O)C(C)Cc2cc1OC(C)C
BDBM50008558 Cc1ccccc1
BDBM50008559 COc1ccc2C(=O)C(C)Cc2c1OC
BDBM50008560 Cc1ccccc1C
BDBM50008561 COc1cc2CC(C)C(=O)c2cc1O
BDBM50004015 Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12
BDBM50004016 O=C(Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1)c1ccccc1
BDBM50003996 [O-][N+](=O)c1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50003997 COc1ccc(cc1)N(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
BDBM50003998 Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50008574 CN1CCC(CCC=C2Cc3ccccc3C2=O)CC1 |w:7.6|
BDBM50008575 CN1CCN(CC2Cc3ccccc3C2=O)CC1
BDBM50084232 CCN(CC)c1nc2scc(C(C)C)c2c(=O)o1
BDBM50190766 CCCC(CC1(CCCC1)C(=O)Nc1ccc(OC)nn1)C(O)=O
BDBM50190767 CCCC(CC1(CCCC1)C(=O)NC1CCCC(C1)C(=O)N(C)C)C(O)=O
BDBM50190769 CCCC(CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O
BDBM50190770 CCCC(CC1(CCCC1)C(=O)N[C@H](C)c1ccccc1)C(O)=O
BDBM50012170 Nc1cc(nc2ccccc12)-c1ccccc1
BDBM50153018 CC(N=O)c1ccc(Cl)c(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1
BDBM50153019 Cc1cc(cc(C)c1O)C1(CCCCC1)c1cc(C)c(O)c(C)c1
BDBM50153020 Cc1nc(N)ncc1-c1nnnn1-c1ccc(cc1)-c1ccccc1
BDBM50107890 CCC1=CC2CC(C1)Cc1nc3ccccc3c(N)c21 |t:2,THB:17:19:5:3.2.7,10:9:5:3.2.7|
BDBM50107891 CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:2,TLB:1:2:8.9.10:5,THB:18:8:2.3.7:5,11:9:2.3.7:5|
BDBM50119772 C(CCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12
BDBM50119776 C(CCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1
BDBM50119777 C(CCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1
BDBM50040643 CS(=O)(=O)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040644 CCCNC(NCCC1CCN(Cc2ccccc2)CC1)=Nc1ccccc1 |w:21.23|
BDBM50160654 CCCCNC(=O)OCCCCCCCCCCCCO
BDBM50160655 CCCCNC(=O)OCCO
BDBM50160656 CCCCNC(=O)OCCCCCCCCCCO
BDBM50160657 CCCCNC(=O)OCCCCCCCCCCCCCCO
BDBM50160658 CCCCNC(=O)OCCCCCO
BDBM50160659 CCCCNC(=O)OCCCCCCCCCCCCOC(=O)NCCCC
BDBM50160660 CCCCNC(=O)OCCCCCCCCCCOC(=O)NCCCC
BDBM50160661 CCCCNC(=O)OCCCCCCCCCCCCCCCCOC(=O)NCCCC
BDBM50160662 CCCCNC(=O)OCCCCCCCCO
BDBM50160663 CCCCNC(=O)OCCOC(=O)NCCCC
BDBM50160664 CCCCNC(=O)OCCCCCCCCOC(=O)NCCCC
BDBM50160665 CCCCNC(=O)OCCCCCCCCCCCCCCCCO
BDBM50160666 CCCCNC(=O)OCCCCCOC(=O)NCCCC
BDBM50160667 CCCCNC(=O)OCCCCCCCCCCCCCCOC(=O)NCCCC
BDBM50117584 C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCCc3c2)CC1 |(20.14,-5.28,;19.05,-6.38,;20.38,-7.15,;21.72,-6.38,;21.71,-4.84,;23.04,-4.07,;24.38,-4.84,;24.38,-6.38,;23.05,-7.15,;19.05,-4.84,;17.74,-4.07,;16.4,-4.83,;15.14,-4.18,;13.73,-4.81,;12.48,-3.9,;12.65,-2.36,;11.07,-4.53,;10.92,-6.05,;9.52,-6.68,;8.24,-5.79,;6.73,-6.1,;5.96,-4.74,;7.01,-3.59,;8.43,-4.25,;9.83,-3.62,;16.39,-6.37,;17.72,-7.15,)|
BDBM50117585 COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccccc4)CC3)n(C)c2cc1OC |(-2.15,-5.79,;-1.52,-7.21,;.01,-7.37,;.92,-6.12,;2.45,-6.28,;3.58,-5.26,;4.91,-6.03,;6.32,-5.4,;6.49,-3.86,;7.57,-6.3,;8.98,-5.68,;10.24,-6.32,;11.58,-5.56,;12.9,-6.33,;12.89,-7.87,;13.98,-6.77,;14.22,-8.64,;15.56,-7.87,;16.89,-8.64,;18.22,-7.87,;18.22,-6.33,;16.88,-5.56,;15.55,-6.33,;11.56,-8.64,;10.23,-7.86,;4.6,-7.54,;5.63,-8.68,;3.06,-7.68,;2.17,-8.94,;.64,-8.78,;-.25,-10.02,;-1.79,-9.87,)|
BDBM50117586 COc1cc2CC(C(O)C3CC[N+](Cc4ccccc4)(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50042242 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C#N |t:4|
BDBM50055167 C[N+]1(C)CCO[C@](O)(C1)c1ccc(Cl)cc1
BDBM50055168 C[C@@]1(O)C[N+](C)(C)CCO1
BDBM50039229 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCNc2c1
BDBM50039230 [O-][N+](=O)c1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1
BDBM50039231 CCCCCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50039232 Fc1cccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)c1
BDBM50131046 O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12
BDBM50004658 CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004659 CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1
BDBM50004660 CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004661 CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004662 CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004663 CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004664 CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50169854 COc1cc2CC(Oc3ccc(cc3)C(C)N3CCN(C)CC3)C(=O)c2cc1OC
BDBM50169858 COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC
BDBM50169859 CCN(CC)C(C)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50169860 COc1cc2CC(Oc3ccc(cc3)C(C)N(C)C)C(=O)c2cc1OC
BDBM50169861 COc1cc2CC(Oc3cccc(c3)C(C)N(C)C)C(=O)c2cc1OC
BDBM50169862 COc1cc2CC(Oc3cccc(CN4CCN(C)CC4)c3)C(=O)c2cc1OC
BDBM50169863 COc1cc2CC(Oc3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
BDBM50169865 COc1cc2CC(Oc3ccc(cc3)C(C)N3CCCCC3)C(=O)c2cc1OC
BDBM50169866 COc1cc2CC(Oc3ccc(CN4CCN(C)CC4)cc3)C(=O)c2cc1OC
BDBM50169867 COc1cc2CC(Oc3cccc(CN(C)C)c3)C(=O)c2cc1OC
BDBM50169868 COc1cc2CC(Oc3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
BDBM50169869 CCN(CC)C(C)c1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
BDBM50169870 COc1cc2CC(Oc3ccc(CN(C)C)cc3)C(=O)c2cc1OC
BDBM50169871 COc1cc2CC(Oc3ccc(cc3)C(C)N3CCCC3)C(=O)c2cc1OC
BDBM50169872 COc1cc2CC(Oc3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
BDBM50055176 C[N+](C)(C)CCCCBr
BDBM50055178 CN(C(=O)NCc1ccccc1)C(=O)Oc1ccc2N(C)C3[N@H+](C)CC[C@@]3(C)c2c1
BDBM50055169 C[N+](C)(C)CCCBr
BDBM50055170 C[N+](C)(C)CCCl
BDBM50055171 CC(=O)Oc1cccc(c1C)[N+](C)(C)C
BDBM50055172 C[N+](C)(C)c1cccc([NH3+])c1
BDBM50055173 C[NH+](C)CCCC=C
BDBM50005775 CCCCCCCNC(=O)Oc1ccc2CC3N(C)CC[C@@]3(C)c2c1
BDBM50005776 CCCCNC(=O)Oc1ccc2CC3N(CC)CC[C@@]3(C)c2c1
BDBM50005777 CCCCCCNC(=O)Oc1ccc2CC3N(C)CC[C@@]3(C)c2c1
BDBM50169855 COc1cc2CC(Oc3cccc(c3)C(C)N3CCCCC3)C(=O)c2cc1OC
BDBM50169856 COc1cc2CC(Oc3cccc(c3)C(C)N3CCN(C)CC3)C(=O)c2cc1OC
BDBM50169857 CCN(CC)Cc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50169873 COc1cc2CC(Oc3cccc(c3)C(C)N3CCCC3)C(=O)c2cc1OC
BDBM50273427 [O-][N+](=O)OCCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM50273429 CCCNCCCCNc1c2CCCCc2nc2ccccc12
BDBM50047753 CN(C)Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 |c:15|
BDBM50047754 CC1CCCCN1Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 |c:20|
BDBM50047756 COCc1ccc(CNCCNC(=NC)C(C#N)C#N)o1 |w:13.13|
BDBM50106455 O=C1CCN(Cc2ccccc2)CC1=Cc1c[nH]c2ccccc12 |w:14.16|
BDBM50106456 O=C(c1ccccc1)n1cccc1C=C1CN(Cc2ccccc2)CCC1=O |w:13.14|
BDBM50106457 COc1ccc2[nH]cc(C=C3CN(Cc4ccccc4)CCC3=O)c2c1 |w:9.8|
BDBM50106458 Fc1ccc(cc1)C(=O)n1cc(C=C2CN(Cc3ccccc3)CCC2=O)c2ccccc12 |w:12.12|
BDBM50106462 O=C1CCN(Cc2ccccc2)CC1=Cc1cc[nH]c1 |w:14.16|
BDBM50106463 CC(C)(C)OC(=O)n1cc(C=C2CN(Cc3ccccc3)CCC2=O)c2ccccc12 |w:10.9|
BDBM50106464 COc1ccc2n(cc(C=C3CN(Cc4ccccc4)CCC3=O)c2c1)C(=O)c1ccccc1 |w:9.8|
BDBM50106465 O=C1\C(CN(Cc2ccccc2)C\C1=C/c1cc[nH]c1)=C\c1cc[nH]c1
BDBM50106466 COc1ccc(cc1)C(=O)n1cc(C=C2CN(Cc3ccccc3)CCC2=O)c2ccccc12 |w:13.13|
BDBM50244559 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50244560 COc1ccccc1N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50244561 Clc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50244562 Cc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50221931 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccco1)Cc1ccco1 |w:18.18|
BDBM50221917 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1Cl)Cc1ccccc1Cl |w:18.18|
BDBM50221918 CCN(CCCCCCNc1c(O)c(Br)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1Br)Cc1ccccc1OC |w:16.15|
BDBM50182887 COc1ccc(CC2=[N+](C)CCc3cc(OC)c(OC)cc23)cc1OC |c:7|
BDBM50244558 Cc1ccccc1N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50221920 CCN(CCCCCCNc1ccc(NCCCCCCN(CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC
BDBM50221921 CCN(CCCCNc1cc(O)c(cc1O)N=CCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:16.16|
BDBM50221922 CCN(CCCCCCNc1c(C)c(O)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(C)c1O)Cc1ccccc1OC |w:16.15|
BDBM50221923 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccn1)Cc1ccccn1 |w:18.18|
BDBM50221924 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1)Cc1ccccc1 |w:18.18|
BDBM50221926 CCN(CCCCCCNc1c(O)c(F)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1F)Cc1ccccc1OC |w:16.15|
BDBM50221927 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1[N+]([O-])=O)Cc1ccccc1[N+]([O-])=O |w:18.18|
BDBM50221928 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1C)Cc1ccccc1C |w:18.18|
BDBM50221929 CCN(CCCCCCCNc1cc(O)c(cc1O)N=CCCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:19.19|
BDBM50221930 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1cccs1)Cc1cccs1 |w:18.18|
BDBM50221932 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)CCc1ccccc1OC)CCc1ccccc1OC |w:18.18|
BDBM50221933 COc1ccccc1CN(C)CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(C)Cc1ccccc1OC |w:26.27|
BDBM50166206 Cc1cn(Cc2cccc(c2)-c2cccc(Cn3cc(C)c(=[NH2+])c4ccccc34)c2)c2ccccc2c1=[NH2+]
BDBM50182888 COc1ccccc1C(O)c1nccc2cc(OC)c(OC)cc12
BDBM50182890 COc1ccc(cc1OC)C(O)c1nccc2cc(OC)c(OC)cc12
BDBM50242346 CN[C@@H](C)C1=CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)C(\C)=C\C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |r,t:4|
BDBM50221061 O[C@@H]1C[C@@H]2Oc3c4c(CNCC[C@@]24C=C1)ccc3O |c:15|
BDBM50138733 CSc1nc(nn1C(=O)N(C)C)-c1ccc(cc1)C(F)(F)F
BDBM50039211 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCN(Cc3ccccc3)c2c1
BDBM50025144 COc1ccc(cc1)C(=O)C(SCC[N+](C)(C)C)N=O
BDBM50025145 C[N+](C)(C)CCSC(N=O)C(=O)c1ccc(Br)cc1
BDBM50271468 CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM50271471 C(CNc1c2CCCCc2nc2ccccc12)CN1CCN(CCCNc2c3CCCCc3nc3ccccc23)CC1
BDBM50219246 Fc1cccc(c1)C(=O)OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
BDBM50025253 CCN(CC)CCNC(=NO)c1nc(no1)-c1ccccc1 |w:9.9|
BDBM50020552 Cn1cc[n+](COCC#C)c1CN=O
BDBM50020553 Cn1cc[n+](CCCCC#C)c1CN=O
BDBM50020554 Cn1cc[n+](COC2CCCCC2C#C)c1CN=O
BDBM50020555 CCCC(CC#C)OC[n+]1ccn(C)c1CN=O
BDBM50020556 CC(C)(C)n1cc[n+](COCCC#C)c1CN=O
BDBM50020557 CC(CC#C)OC[n+]1ccn(C)c1CN=O
BDBM50020558 O=NCc1cccc[n+]1CCCCC#C
BDBM50020559 Cn1cc[n+](COC2(CCCC2)C#C)c1CN=O
BDBM50273259 COc1cc2CC(Oc3ccc(cc3)C(=O)CCCN3CCCC3)C(=O)c2cc1OC
BDBM50273260 CCN(CC)CCCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50273261 CCN(C)CCCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50271472 C(Cc1cccc(CCNc2c3CCCCc3nc3ccccc23)c1)Nc1c2CCCCc2nc2ccccc12
BDBM50271473 C(Cc1cccc(CCNc2c3CCCCc3nc3ccccc23)n1)Nc1c2CCCCc2nc2ccccc12
BDBM50008684 C\C=C1/CCc2[nH]c(=O)ccc2[C@]1(C)N
BDBM50008685 C\C=C1/C2CC(C)C[C@]1(N)c1ccc(=O)[nH]c1C2 |TLB:11:10:2:7.4.5,THB:6:5:2:10.16.17|
BDBM50008687 CN(C)Cc1ccc(=O)[nH]c1
BDBM50008688 NCc1ccc(=O)[nH]c1
BDBM50064321 CC(C)Nc1nc2sc3CCCCc3c2c(=O)o1
BDBM50029947 COc1cc2CC(CN3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50029948 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)=Cc2cc1OC |c:22|
BDBM50029949 COc1cc2CC(CC3CCNCC3)C(=O)c2cc1OC
BDBM50025138 CC[N+](C)(CC)CCSC(N=O)C(=O)c1ccc(cc1)C#N
BDBM50025139 COc1ccc(cc1)C(=O)C(SCCN(C)C)N=O
BDBM50025141 CCN(CC)CCSC(N=O)C(=O)c1ccc(Br)cc1
BDBM50025142 CCN(CC)CCSC(N=O)C(=O)c1ccc(OC)cc1
BDBM50025143 C[N+](C)(C)CCSC(N=O)C(=O)c1ccc(F)cc1
BDBM50089507 Fc1cnccc1-c1c2ccc(n2)c(-c2ccncc2F)c2ccc([nH]2)c(-c2ccncc2F)c2ccc([nH]2)c(-c2ccncc2F)c2ccc1n2 |(10.18,-13.08,;8.82,-13.81,;8.78,-15.35,;7.42,-16.09,;6.12,-15.28,;6.16,-13.74,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;8.94,-1.17,;8.94,.37,;7.61,1.14,;6.28,.37,;6.28,-1.17,;4.94,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)|
BDBM50089508 Oc1cccc(c1)-c1c2ccc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc1n2
BDBM50089509 Oc1ccccc1-c1c2ccc(n2)c(-c2ccccc2O)c2ccc([nH]2)c(-c2ccccc2O)c2ccc([nH]2)c(-c2ccccc2O)c2ccc1n2 |(22.71,-22.71,;21.35,-23.43,;21.31,-24.98,;19.95,-25.72,;18.65,-24.91,;18.69,-23.36,;20.04,-22.64,;20.09,-21.1,;21.44,-20.35,;22.82,-21.02,;23.89,-19.9,;23.15,-18.55,;21.63,-18.83,;23.99,-17.25,;25.53,-17.33,;26.23,-18.69,;27.77,-18.76,;28.61,-17.47,;27.9,-16.1,;26.36,-16.03,;25.66,-14.66,;23.15,-15.72,;23.92,-14.38,;22.81,-13.09,;21.47,-13.86,;21.63,-15.4,;20.14,-13.09,;20.14,-11.56,;18.81,-10.79,;18.81,-9.25,;20.14,-8.48,;21.47,-9.25,;21.47,-10.79,;22.81,-11.56,;18.81,-13.86,;17.4,-13.25,;16.38,-14.39,;17.13,-15.73,;18.65,-15.4,;16.38,-17.06,;14.84,-17.08,;14.05,-15.75,;12.53,-15.75,;11.74,-17.08,;12.51,-18.41,;14.07,-18.41,;14.84,-19.74,;17.15,-18.39,;16.34,-19.7,;17.34,-20.88,;18.76,-20.28,;18.65,-18.76,)|
BDBM50161785 CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCCC4(C)c3c2)cc1
BDBM50161786 CC(C)c1ccc(NC(=O)Oc2ccc3OC4CC(C)(CO4)c3c2)cc1
BDBM50037179 COc1ccccc1CN1CCC(CCC(=O)c2ccc(cc2)N2CCCC2)CC1
BDBM50037180 CCN(CCCCCC(=O)c1ccc(OC)c(OC)c1)Cc1ccccc1OC
BDBM50273378 [O-][N+](=O)OCCNCCCCCNc1c2CCCCc2nc2ccccc12
BDBM50273380 [O-][N+](=O)OCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM50005762 CCCCCCCNC(=O)Oc1ccc2CC3N(CCC)CC[C@@]3(C)c2c1
BDBM50005763 CCN1CC[C@]2(C)C1Cc1ccc(OC(=O)NC)cc21
BDBM50005764 CCCCNC(=O)Oc1ccc2CC3[C@@H](CCN3CC)c2c1
BDBM50005765 CCCCCCNC(=O)Oc1ccc2CC3[C@@H](CCN3CCC)c2c1
BDBM50005766 CCN1CC[C@]2(C)C1Cc1ccc(OC(=O)NC(C)(C)C)cc21
BDBM50005758 CCCCCCNC(=O)Oc1ccc2CC3N(CC)CC[C@@]3(C)c2c1
BDBM50005759 CCN1CC[C@]2(C)C1Cc1ccc(OC(=O)NCc3ccccc3)cc21
BDBM50005760 CCCCCCCNC(=O)Oc1ccc2CC3N(Cc4ccccc4)CC[C@@]3(C)c2c1
BDBM50005761 CCCCCCCNC(=O)Oc1ccc2CC3N(CC)CC[C@@]3(C)c2c1
BDBM50069248 CN(C)c1ccc(CC(=O)NCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:32:23:30:27.26.28,THB:32:27:23.24.31:30,22:23:30:27.26.28,28:27:24:29.31.30,28:29:24:27.32.26|
BDBM50069245 CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27|
BDBM50069246 CN(C)c1ccc(CC(=O)NCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:28:19:26:23.22.24,THB:28:23:19.20.27:26,18:19:26:23.22.24,24:23:20:25.27.26,24:25:20:23.28.22|
BDBM50069247 CN(C)c1ccc(CC(=O)NCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:21:28:25.24.26,THB:30:25:21.22.29:28,20:21:28:25.24.26,26:25:22:27.29.28,26:27:22:25.30.24|
BDBM50070680 CC1=CC2Cc3[nH]c(=O)ccc3C(N)(C1)\C2=C\CF |t:1,TLB:6:5:15:2.14.1,THB:0:1:15:11.5.4,10:11:15:2.14.1|
BDBM50042226 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(=O)OC(C)(C)C |t:4|
BDBM50042247 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(=O)OC |t:4|
BDBM50008565 COc1cc2CC(C)C(=O)c2cc1OC
BDBM50008566 CC1Cc2c(cccc2C)C1=O
BDBM50008567 Cc1ccc(C)cc1
BDBM50008568 CN1CCC(CCc2c(O)c3ccccc3[nH]c2=O)CC1
BDBM50008569 CN1CCC(CC2=Cc3ccccc3C2)CC1 |t:6|
BDBM50008570 CC1CCN(Cc2ccccc2C)CC1
BDBM50008571 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\[#6]-c2ccccc2-[#6]-1=O
BDBM50008572 CC1CCN(Cc2cccc3ccccc23)CC1
BDBM50004652 CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004653 CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50003999 Clc1ccc2c(c1)[nH]c(=O)n(CCC1CCN(Cc3ccccc3)CC1)c2=O
BDBM50008579 CC1CCN(Cc2ccccc2)CC1
BDBM50008580 CN1CCC(C[C@H]2Cc3ccccc3C2=O)CC1
BDBM50008581 CC1CCN(CC1)C(=O)c1ccccc1
BDBM50219229 CC(C)c1ccc(cc1)C(=O)OCCCCN1CCC(CC1)OCc1ccccc1
BDBM50069243 CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25|
BDBM50069244 CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23|
BDBM50004000 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
BDBM50059723 CN1CC[C@@]2(C)C1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc21
BDBM50059724 CNC(=O)Oc1ccc2NC3N(C)CC[C@]3(C)c2c1
BDBM50059725 CN1CC[C@]2(C)C1N(C=O)c1ccc(OC(=O)Nc3ccccc3)cc21
BDBM50089505 C[n+]1ccc(c(F)c1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2F)c2ccc([nH]2)c(-c2cc[n+](C)cc2F)c2ccc([nH]2)c(-c2cc[n+](C)cc2F)c2ccc1n2 |(6.85,-13.43,;6.87,-11.89,;5.55,-11.09,;5.59,-9.55,;6.94,-8.82,;8.27,-9.62,;9.62,-8.89,;8.23,-11.16,;6.99,-7.29,;8.35,-6.54,;9.74,-7.21,;10.79,-6.09,;10.07,-4.75,;8.55,-5.04,;10.9,-3.46,;12.44,-3.55,;13.14,-4.9,;14.7,-4.97,;15.53,-3.69,;17.07,-3.77,;14.81,-2.33,;13.28,-2.26,;12.57,-.88,;10.07,-1.95,;10.84,-.61,;9.78,.53,;8.39,-.1,;8.55,-1.63,;7.06,.67,;7.06,2.2,;8.39,2.98,;8.39,4.5,;7.06,5.26,;7.03,6.81,;5.72,4.5,;5.72,2.98,;4.38,2.2,;5.72,-.1,;4.31,.52,;3.27,-.62,;4.05,-1.96,;5.55,-1.63,;3.27,-3.27,;1.74,-3.3,;.97,-1.97,;-.58,-1.97,;-1.36,-3.3,;-2.88,-3.3,;-.58,-4.61,;.97,-4.61,;1.74,-5.95,;4.05,-4.59,;3.25,-5.9,;4.24,-7.08,;5.69,-6.49,;5.55,-4.97,)|
BDBM50089506 Fc1ccccc1-c1c2ccc(n2)c(-c2ccccc2F)c2ccc([nH]2)c(-c2ccccc2F)c2ccc([nH]2)c(-c2ccccc2F)c2ccc1n2 |(16.72,-24.42,;15.37,-25.15,;15.33,-26.69,;13.98,-27.43,;12.66,-26.62,;12.7,-25.08,;14.05,-24.35,;14.1,-22.81,;15.45,-22.07,;16.84,-22.72,;17.9,-21.61,;17.17,-20.25,;15.66,-20.53,;18.01,-18.97,;19.55,-19.04,;20.24,-20.42,;21.79,-20.49,;22.62,-19.18,;21.91,-17.83,;20.37,-17.75,;19.67,-16.38,;17.17,-17.43,;17.94,-16.1,;16.89,-14.96,;15.49,-15.59,;15.66,-17.12,;14.16,-14.82,;14.16,-13.28,;12.83,-12.51,;12.83,-10.96,;14.16,-10.19,;15.49,-10.96,;15.49,-12.51,;16.82,-13.28,;12.83,-15.59,;11.41,-14.96,;10.39,-16.1,;11.16,-17.45,;12.66,-17.13,;10.39,-18.78,;8.85,-18.78,;8.08,-17.45,;6.54,-17.45,;5.77,-18.8,;6.54,-20.14,;8.08,-20.14,;8.85,-21.47,;11.16,-20.11,;10.36,-21.42,;11.36,-22.58,;12.79,-22,;12.66,-20.46,)|
BDBM50265152 CN[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12 |r|
BDBM50265194 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12 |r|
BDBM50106459 O=C1\C(CN(Cc2ccccc2)C\C1=C/c1ccc[nH]1)=C\c1ccc[nH]1
BDBM50106460 O=C(c1ccc(cc1)C#N)n1cc(C=C2CN(Cc3ccccc3)CCC2=O)c2ccccc12 |w:13.13|
BDBM50273094 CCN(CC)CCc1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
BDBM50273096 COc1cc2CC(Oc3ccc(CCCN4CCCCC4)cc3)C(=O)c2cc1OC
BDBM50273098 CCN(CC)CCCc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50032398 COc1ccc(cc1)C(=O)NC(=S)NCCOCCN(C)Cc1ccccc1
BDBM50209406 FC(F)(F)c1ccc(C(=O)C(=O)c2ccc(cc2C(F)(F)F)C(F)(F)F)c(c1)C(F)(F)F
BDBM50209407 OC(C(=O)c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
BDBM50209408 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50209409 OC(C(=O)c1ccc(F)cc1)c1ccc(F)cc1
BDBM50209417 FC(F)(F)c1ccc(c(c1)C(=O)C(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F)C(F)(F)F
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50106461 O=C1CCN(Cc2ccccc2)CC1=Cc1cn(Cc2ccccc2)c2ccccc12 |w:14.16|
BDBM50077263 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1
BDBM50077264 CC(C)c1ccc(NC(=O)Oc2ccc3N(Cc4ccccc4)C4N(C)CC[C@@]4(C)c3c2)cc1
BDBM50271323 CC(=O)N(CCCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
BDBM50271324 C(CCNc1c2CCCCc2nc2ccccc12)CNCCCSc1c2CCCCc2nc2ccccc12
BDBM50273276 Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccccc1 |t:8|
BDBM50244612 Clc1ccc(Cl)c(c1)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50244613 Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50244658 [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50244659 COc1ccccc1N1CCN(CC1)c1cc(=O)oc2ccc(C)cc12
BDBM50244660 COc1ccc(cc1)N1CCN(CC1)c1cc(=O)oc2ccc(C)cc12
BDBM50048574 C=CCN(c1ccncc1)n1ccc2ccccc12
BDBM50048575 CCCN(c1ccncc1)n1ccc2cc(OC)ccc12
BDBM50244751 Fc1nc(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c1F |t:11|
BDBM50244752 CC1=C(C)S(=O)(=O)N(C1=O)c1c(F)c(F)nc(F)c1F |c:1|
BDBM50244753 CC1=C(C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O)c1ccccc1 |t:1|
BDBM50244754 Fc1c(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1F |t:10|
BDBM50175875 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:13|
BDBM50138730 FC(F)(F)CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
BDBM50244703 Clc1cccc(n1)N1C(=O)C2=C(CCCC2)S1(=O)=O |t:11|
BDBM50244704 Brc1cccc(n1)N1C(=O)C2=C(CCCC2)S1(=O)=O |t:11|
BDBM50244705 Fc1cnc(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1 |t:8|
BDBM50244706 Cc1ccc2oc(=O)cc(N3CCN(CC3)c3ccc(Cl)cc3)c2c1
BDBM50244707 Cc1ccc2oc(=O)cc(N3CCN(CC3)c3ccccc3)c2c1
BDBM50244708 Cc1ccc2oc(=O)cc(N3CCN(CC3)c3cc(Cl)ccc3Cl)c2c1
BDBM50005511 CN(C)Cc1ccc(CSCc2ccc(CN(C)C)o2)o1
BDBM50005512 CN(C)Cc1ccc(CSCc2cccc(CSCc3ccc(CN(C)C)o3)c2)o1
BDBM50241350 CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccccc1
BDBM50175878 CC1(C)CC[C@@]2(CC[C@]3(C)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]2C1)C(=O)OCCCCBr |c:10|
BDBM50020533 CC(OC[n+]1ccn(C)c1CN=O)C1CCCCC1
BDBM50005492 CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50261291 NCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
BDBM50261292 NCCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
BDBM50225215 CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(c1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM50020523 Cn1cc[n+](COCc2ccccc2)c1CN=O
BDBM50020534 CCC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50176470 CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:11|
BDBM50176471 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C |c:31,t:15|
BDBM50176472 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:14|
BDBM50176473 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |c:12,24|
BDBM50251160 CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
BDBM50251161 O=Cc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 |r|
BDBM50245129 Clc1cc(=O)oc2ccc(CN3CCN(CC3)c3ccccc3)cc12
BDBM50020550 CC(C)(C)n1cc[n+](CCCCC#C)c1CN=O
BDBM50020551 Cn1cc[n+](COC(C)(C)C#C)c1CN=O
BDBM50032399 CN(CCOCCNC(=S)Nc1cccc2ccccc12)Cc1ccccc1
BDBM50032400 CCN(CCOCCNC(=O)NCc1ccccc1)CC1CCCCC1
BDBM50248636 COc1cc2C\C(=C/c3cccc(CN(C)C)c3)C(=O)c2cc1OC
BDBM50248637 COc1cc2C\C(=C/c3ccc(CN(C)C)cc3)C(=O)c2cc1OC
BDBM50064308 CCN(CC)c1nc2sc3CCCCc3c2c(=O)o1
BDBM50273428 [O-][N+](=O)OCCCCCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM50188010 COc1cc(Br)c(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC
BDBM50188011 Fc1ccc(cc1)C(N1CCN(CCN2CCCCC2)CC1)c1ccc(F)cc1
BDBM50199533 CN(CCCCCCCCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:34,59,THB:31:30:18:20.21.27,47:48:39:50.53.51,43:42:39:50.53.51|
BDBM50199534 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCN(CN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:50,t:1,TLB:0:1:14:4.5.11,THB:38:39:30:41.44.42,34:33:30:41.44.42|
BDBM50199537 CN(CCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:30,56,THB:22:23:14:25.26.28,18:17:14:25.26.28,44:45:36:47.48.50,40:39:36:47.48.50|
BDBM50199538 CN(CCCCCCCCCCN(C)Cc1ccncc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:45,THB:41:40:28:30.31.37|
BDBM50199539 CN(CCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:28,53,THB:41:42:33:44.47.45,25:24:12:14.15.21,37:36:33:44.47.45|
BDBM50199543 CN(CCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:33,59,THB:30:29:17:19.20.26,43:42:39:50.53.51,47:48:39:50.53.51|
BDBM50005767 CCN1CC[C@]2(C)C1Cc1ccc(OC(=O)N[C@@H](C)c3ccccc3)cc21
BDBM50005768 CCN1CC[C@@H]2C1Cc1ccc(OC(=O)NC)cc21
BDBM50005769 CCCCCCNC(=O)Oc1ccc2CC3[C@@H](CCN3CC)c2c1
BDBM50276561 CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1 |r|
BDBM50188013 Fc1ccc(cc1)C(N1CCN(Cc2ccc(cc2)-c2ccccc2C#N)CC1)c1ccc(F)cc1
BDBM50188014 Fc1ccc(cc1)C(N1CCN(CCN2CCOCC2)CC1)c1ccc(F)cc1
BDBM50188015 Cc1cc2OCOc2cc1CN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50188016 Fc1ccc(cc1)C(N1CCN(CCN2CCCC2)CC1)c1ccc(F)cc1
BDBM50188017 Cc1nc2ccccn2c(=O)c1CCN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50188018 Cc1nc2CCCCc2c(O)c1CCN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50199535 CN(CCCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:29,54,THB:47:46:34:36.37.43,21:22:13:24.27.25,17:16:13:24.27.25|
BDBM50199536 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)C1CC1 |c:48,t:1,TLB:41:40:28:30.31.37,10:11:14:13.2.1,6:5:14:13.2.1|
BDBM50199544 CN(CCCCCCCCN(C)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:35,61,THB:32:31:19:21.22.28,49:50:41:52.55.53,45:44:41:52.55.53|
BDBM50199545 CN(CCCCCCN(C)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:33,59,THB:30:29:17:19.20.26,47:48:39:50.53.51,43:42:39:50.53.51|
BDBM50199546 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCCN1CCCN(CCCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:54,t:1,TLB:0:1:14:4.5.11,THB:42:43:34:45.48.46,38:37:34:45.48.46|
BDBM50199547 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN1CCN(CCC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:55,t:1,TLB:0:1:14:4.5.11,THB:43:44:35:46.49.47,39:38:35:46.49.47|
BDBM50109574 CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1
BDBM50061568 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
BDBM50008562 Cc1ccc(N)cc1
BDBM50008563 Cc1cccc(c1)[N+]([O-])=O
BDBM50008564 Cc1cccc(F)c1
BDBM50176468 CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C |c:13,t:15|
BDBM50176469 CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C |t:14|
BDBM50119785 C(CCCC[n+]1ccccc1)CCC[n+]1ccccc1
BDBM50059726 CNC(=O)Oc1ccc2N(C=O)C3N(C)CC[C@@]3(C)c2c1
BDBM50059727 CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(C)CC[C@]3(C)c2c1
BDBM50273180 CCN(C)CC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50273182 COc1cc2CC(Oc3ccc(cc3)C(=O)CCN3CCCC3)C(=O)c2cc1OC
BDBM50273130 COc1cc2CC(Oc3ccc(CCCCN4CCCC4)cc3)C(=O)c2cc1OC
BDBM50273132 COc1cc2CC(Oc3ccc(cc3)C(=O)CN3CCCCC3)C(=O)c2cc1OC
BDBM50231232 Clc1cccc(Cl)c1-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
BDBM50231234 Clc1cccc(Cl)c1CO\N=C\C1CCN(CCCc2ccccc2)CC1
BDBM50048600 CCN(c1ccncc1)n1ccc2ccccc12
BDBM50048601 Cc1cc2ccccc2n1Nc1ccncc1
BDBM50048602 C#CCN(c1ccncc1)n1ccc2ccccc12
BDBM50032397 CN(CCOCCNC(=S)NC(=O)c1ccc2ccccc2c1)Cc1ccccc1
BDBM50132122 COc1ccc2[nH]c3c(C)nccc3c2c1
BDBM50004002 CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
BDBM50004003 O=C1N(CCC2CCN(Cc3ccccc3)CC2)CCc2ccccc12
BDBM50242345 [#6]-[#6@H](-[#7](-[#6])-[#6])-[#6]1=[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6] |r,t:5|
BDBM50048573 CCCN(c1ccncc1)n1c(C)cc2ccccc12
BDBM50048582 CCCN(c1ccncc1)n1ccc2cc(Br)ccc12
BDBM50048583 CCCN(c1ccncc1)n1cc(C#N)c2ccccc12
BDBM50048588 CCCN(c1ccncc1)n1cc(C(C)=O)c2ccccc12
BDBM50048589 CN(c1ccncc1)n1ccc2ccccc12
BDBM50048590 CC(C)N(c1ccncc1)n1ccc2ccccc12
BDBM50084233 CCN(CC)c1nc2sc3CCCc3c2c(=O)o1
BDBM50084234 CCN(CC)c1nc2sc3CCCCCc3c2c(=O)o1
BDBM50084235 CCN(CC)c1nc2sc3ccccc3c2c(=O)o1
BDBM50004656 C[N+](C)(C)CCOC(N)=O
BDBM50004657 CN(C)Cc1ccc(CSCCNc2cc(F)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50022178 Cc1cc(=O)oc2cc(O)ccc12
BDBM50251167 CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=NNC(N)=S)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:13.12|
BDBM50251168 CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=NNC(N)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:13.12|
BDBM50251169 CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CN=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
BDBM50251170 CO\N=C/c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 |r|
BDBM50251184 NC(=S)NN=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r,w:5.5|
BDBM50251185 NC(=O)NN=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r,w:5.5|
BDBM50251186 OC[C@H]1O[C@@H](Oc2ccc(CN=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50251187 CO\N=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
BDBM50251188 NC(=S)NN=Cc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 |r,w:5.5|
BDBM50014107 COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(C)CC[C@@]4(C)c3c2)cc1
BDBM50014108 CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NC(C)(C)C)cc21
BDBM50004001 O=C(c1ccccc1)c1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50005508 CN(C)Cc1ccc(CSCCNC(=O)NCCSCc2ccc(CN(C)C)o2)o1
BDBM50041517 Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1
BDBM50251189 NC(=O)NN=Cc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 |r,w:5.5|
BDBM50251190 O=NCc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 |r|
BDBM50251191 CO\N=C/c1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 |r|
BDBM50020535 CCCCCCOC[n+]1ccn(C)c1CN=O
BDBM50020525 Cn1cc[n+](COCC2CCCc3ccccc23)c1CN=O
BDBM50020527 Cn1c(CN=O)[n+](C)c2ccccc12
BDBM50020528 Cn1cc[n+](COCC2CCCCC2)c1CN=O
BDBM50020529 Cn1cc[n+](COCCCc2ccccc2)c1CN=O
BDBM50020530 CC(CC(C)(C)C)OC[n+]1ccn(C)c1CN=O
BDBM50020531 CC(OC[n+]1ccn(C)c1C)C(C)(C)C
BDBM50020532 COC[n+]1c(CN=O)n(C)c2ccccc12
BDBM50005493 [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1
BDBM50005494 CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005495 CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005496 CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005497 CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005498 CN(C)Cc1ccc(CSCc2ccc(cc2)-c2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
BDBM50005500 CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50005501 CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005502 CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
BDBM50005503 CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1
BDBM50005504 CN(C)Cc1ccc(CSCCNCC(=NCCSCc2ccc(CN(C)C)o2)[N+]([O-])=O)o1 |w:15.15|
BDBM50005505 CN(C)Cc1ccc(CSCCNC(=O)CSCc2ccc(CN(C)C)o2)o1
BDBM50005507 CN(C)Cc1ccc(CSCc2ccccc2CSCc2ccc(CN(C)C)o2)o1
BDBM50020516 Cn1cc[n+](COC[n+]2ccn(C)c2CN=O)c1CN=O
BDBM50259983 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
BDBM50039727 O=C(Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1)c1ccccc1
BDBM50039728 Cc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1
BDBM50039729 Cc1cc2onc(CCC3CCN(Cc4ccccc4)CC3)c2cc1C
BDBM50039730 C(CC1CCN(Cc2ccccc2)CC1)Cc1noc2ccccc12
BDBM50039731 Oc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
BDBM50039732 C(Cc1ncnc2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50039733 C(Cc1nccc2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50244278 CCN(CC)CCCOc1ccc(CC2CCn3c2nc2ccccc2c3=O)cc1
BDBM50244279 O=c1n2CCC(Cc3ccc(OCCN4CCCCC4)cc3)c2nc2ccccc12
BDBM50040617 S=C(NCCC1CCN(CC2CCCCC2)CC1)Nc1cccc(c1)C#N
BDBM50040618 CC(=O)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040619 [O-][N+](=O)c1cccc(c1)C(=O)[NH+]=C([S-])NCCC1CCN(Cc2ccccc2)CC1 |w:11.11|
BDBM50040620 Clc1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040621 Fc1ccccc1NC(=S)NCCC1CCN(Cc2ccccc2)CC1
BDBM50040622 O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2C(=O)c3ccccc3C(=O)c2c1
BDBM50040623 COc1ccc(NC(=S)NCCC2CCN(CC3CCCCC3)CC2)cc1OC
BDBM50040638 O=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
BDBM50040639 O=C(NCCC1CCN(Cc2ccccc2)CC1)NCc1ccccc1
BDBM50040640 [O-][N+](=O)c1cccc(NC(=[SH+])[N-]CCC2CCN(Cc3ccccc3)CC2)c1
BDBM50040641 COc1ccc(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)cc1
BDBM50076089 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50037138 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2NCCc2c1
BDBM50037139 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1cccc(OC)c1
BDBM50037140 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2N(Cc3ccccc3)CCc2c1
BDBM50037141 CCCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50037142 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)CCc1ccccc1
BDBM50037143 O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCCC1
BDBM50037144 CCN(CCCCC1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC
BDBM50037145 CCN(CCCCCNC(=O)\C=C\c1ccccc1)Cc1ccccc1
BDBM50037146 CCN(CCCCCNC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
BDBM50037147 COc1ccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCCC3)CC2)cc1
BDBM50037148 CCN(CCCCCCC1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC
BDBM50037149 CCN(CCCCCC(=O)c1ccc(cc1)N1CCCC1)Cc1ccccc1
BDBM50037184 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
BDBM50037185 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)CCCc1ccccc1
BDBM50037186 CCN(CCCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
BDBM50037187 COc1cc2C[C@@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50037154 CCN(CCCCCN(C(C)=O)C(=O)\C=C\c1ccccc1)Cc1ccccc1
BDBM50048597 CCCN(c1ccncc1)n1cc2ccccc2n1
BDBM50048599 CCCN(c1ccncc1)n1ncc2ccccc12
BDBM50048604 CCCN(c1cc(Cl)ncn1)n1ccc2ccccc12
BDBM50048605 N(c1ccncc1)n1cc2ccccc2n1
BDBM50048607 N(c1ccncc1)n1cccn1
BDBM50048608 N(c1ccncc1)n1ccc2ccccc12
BDBM50048609 CCCN(c1ccncn1)n1ccc2ccccc12
BDBM50048610 CCCN(c1ccncc1)n1c2ccccc2c2ccccc12
BDBM50048611 CCCN(c1ccncc1)n1cc(CC)c2ccccc12
BDBM50014111 CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1
BDBM50108425 COc1cccc(c1)[N+](C)(C)Cc1ccccc1
BDBM50108426 CC(=O)Oc1cccc(c1)[N+](C)(C)Cc1ccccc1
BDBM50037160 CN(CCCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
BDBM50037161 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)CC1CCCCC1
BDBM50037162 CN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
BDBM50037163 CCN(CCCCCN1C(=O)C2CCCCC2C1=O)Cc1ccccc1
BDBM50037164 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCCN(Cc3ccccc3)c2c1
BDBM50037165 CCCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50037166 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1OC
BDBM50037167 CCN(CCCCC1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1
BDBM50037173 CCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50037174 O=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCCC1
BDBM50037175 CCN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
BDBM50164630 O=C1CN(CCN2CCCC2)C(=O)CN1CCCn1ccnc1
BDBM50164631 COc1ccc(CCN2CC(=O)N(CCc3ccccn3)CC2=O)cc1OC
BDBM50164632 CC1CCCCN1CCCN1CC(=O)N(CCc2ccc(F)cc2)CC1=O
BDBM50014109 CCCCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
BDBM50014110 CNC(=O)Oc1ccc2N(C)[C@H]3N(CC=C)CC[C@@]3(C)c2c1
BDBM50105591 Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1ccc(O)c(O)c1
BDBM50004005 CCC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50004006 COc1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50004007 O=C(NCc1ccccc1)c1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50004008 O=C1N(CCC2CCN(Cc3ccccc3)CC2)CNc2ccccc12
BDBM50004009 [O-][N+](=O)c1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12
BDBM50004010 [O-][N+](=O)c1ccc2C(=O)N(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50004011 COc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50004012 O=C1Cc2ccccc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1
BDBM50004013 O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ncccc12
BDBM50004014 O=C1CCCCN1CCC1CCN(Cc2ccccc2)CC1
BDBM50009219 CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
BDBM50020515 Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
BDBM50020514 COC[n+]1ccn(C)c1CN=O
BDBM50005509 CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50250197 COc1ccc(cc1OC)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1
BDBM50250198 COc1ccc(cc1OC)C(=O)c1ccc(CN(C)Cc2cccc(c2)[N+]([O-])=O)cc1
BDBM50219230 Fc1ccc(cc1)C(=O)OCCCCN1CCC(CC1)OCc1ccccc1
BDBM50219231 Fc1cccc(c1)C(=O)OCCCCN1CCC(CC1)OCc1ccccc1
BDBM50219232 Clc1ccc(cc1)C(=O)OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
BDBM50219233 Clc1cccc(c1)C(=O)OCCCCN1CCC(CC1)OCc1ccccc1
BDBM50219234 Clc1cccc(c1)C(=O)OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
BDBM50219235 Fc1ccc(NC(=O)OCCCCN2CCC(CC2)OCc2ccccc2)cc1
BDBM50219236 [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCN1CCC(CC1)OCc1ccccc1
BDBM50219237 [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
BDBM50219238 O=C(OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50219239 CC(C)c1ccc(cc1)C(=O)OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
BDBM50219240 Clc1ccc(NC(=O)OCCCCN2CCC(CC2)OCc2ccccc2)cc1
BDBM50219241 Fc1ccc(NC(=O)OCCCCN2CCC(CC2)OC(c2ccccc2)c2ccccc2)cc1
BDBM50219242 Clc1ccc(NC(=O)OCCCCN2CCC(CC2)OC(c2ccccc2)c2ccccc2)cc1
BDBM50008576 CN1CCC(CCCC2Cc3ccccc3C2=O)CC1
BDBM50008577 CC1CCN(Cc2ccccc2[N+]([O-])=O)CC1
BDBM50008578 CN1CCC(CCN2C(=O)c3ccccc3C2=O)CC1
BDBM50008582 CN1CCC(C[C@@H]2Cc3ccccc3C2=O)CC1
BDBM50008583 CC1CCN(CC2Cc3ccccc3C2=O)CC1
BDBM50008584 CN1CCC(CC1)\C=C\C=C1/Cc2ccccc2C1=O
BDBM50008585 CC1CCN(CCc2ccccc2)CC1
BDBM50008586 CC1CCN(Cc2ccc3ccccc3c2)CC1
BDBM50004667 CNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50083539 CC1(NCC2CCN(Cc3ccccc3)CC2)C(O)CCc2[nH]c(=O)ccc12
BDBM50136492 COc1ccc2[nH]c3CNCCc3c2c1
BDBM50004665 O=C1CCCN1CC#CCN1CCCC1
BDBM50004666 C[C-](C)\N=[NH+]\c1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50190741 CCCC(CC1(CCCC1)C(=O)Nc1ccccn1)C(O)=O
BDBM50190742 CCC[C@@H](CC1(CCCC1)C(=O)Nc1nnc(C)s1)C(O)=O
BDBM50190743 CCC[C@@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O
BDBM50190760 CCCC(CC1(CCCC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1)C(O)=O
BDBM50190761 CCCC(CC1(CCCC1)C(=O)Nc1nnc(C)s1)C(O)=O
BDBM50190762 CCCC(CC1(CCCC1)C(=O)Nc1nnc(CC2CC2)s1)C(O)=O
BDBM50190763 CCc1nnc(NC(=O)C2(CCC(O)=O)CCCC2)s1
BDBM50025252 CCN(CC)CCSC(N=O)c1nc(C)no1
BDBM50059728 CN1CC[C@]2(C)C1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc21
BDBM50059729 CN1CC[C@@]2(C)C1Nc1ccc(OC(=O)Nc3ccccc3)cc21
BDBM50233538 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
BDBM50014112 CNC(=O)Oc1ccc2N(C)[C@H]3N(Cc4ccccc4)CC[C@@]3(C)c2c1
BDBM50014113 CNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1
BDBM50128572 CNC(=O)Oc1cccc2ccccc12
BDBM50020517 CCCCCCCCOC[n+]1ccn(C)c1CN=O
BDBM50020518 CCCCOC[n+]1ccn(C)c1CN=O
BDBM50020519 Cn1cc[n+](COCC(C)(C)C)c1CN=O
BDBM50020520 CC(C)OC[n+]1ccn(C)c1CN=O
BDBM50020521 CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
BDBM50020522 NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1
BDBM50005510 CN(C)Cc1ccc(CSCCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50242257 C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1cc(O)ccc1O |r,c:9|
BDBM50047009 Cc1nccc2c3ccc(O)cc3[nH]c12
BDBM50038737 CCCCCCCNC(=O)Oc1ccc2C3CC(C)(CCN3CC)c2c1
BDBM50038738 CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1
BDBM50038739 CCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1
BDBM50038740 CCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50038731 C1CCc2nc3ccccc3cc2C1
BDBM50038732 CCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1
BDBM50038733 CCCCCCNC(=O)Oc1ccc2C[C@H]3N(CC)CC[C@@]3(C)c2c1
BDBM50038734 CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3C)c2c1
BDBM50038735 CCN1CCC2CC1c1ccc(OC(=O)NC)cc21
BDBM50038736 CCCCCCNC(=O)Oc1ccc2C3CC(C)(CCN3CC)c2c1
BDBM50154664 C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)cc2)cc1 |(-8.94,2.54,;-9,1.01,;-10.35,.25,;-10.4,-1.28,;-11.76,-2.01,;-13.07,-1.2,;-14.43,-1.93,;-13.02,.36,;-11.68,1.07,;-7.7,.17,;-6.34,.91,;-5.01,.1,;-5.07,-1.44,;-4.27,-2.77,;-2.72,-2.77,;-1.97,-4.09,;-.43,-4.09,;.35,-2.77,;-.43,-1.44,;-1.97,-1.44,;1.88,-2.77,;2.66,-4.09,;4.2,-4.09,;4.98,-2.77,;6.52,-2.77,;7.29,-1.44,;6.52,-.1,;7.27,1.22,;8.82,1.22,;9.59,-.1,;8.82,-1.44,;9.58,2.57,;11.12,2.57,;8.81,3.9,;9.58,5.25,;8.81,6.6,;7.27,6.6,;6.49,7.88,;6.49,5.22,;7.29,3.9,;4.2,-1.43,;2.65,-1.44,;-6.42,-2.16,;-7.72,-1.34,)|
BDBM50108407 COc1ccc(cc1OC)C(=O)COc1ccc(cc1)[N+](C)(C)Cc1ccccc1
BDBM50108408 CC(=C)C[N+](C)(C)c1ccc(O)cc1
BDBM50108409 C[N+](C)(C)Cc1cccc(O)c1
BDBM50108410 C[N+](C)(CC=C)Cc1cccc(O)c1
BDBM50108411 COc1cccc(c1)[N+](C)(C)CC(C)=C
BDBM50108412 CC(=C)C[N+](C)(C)c1cccc(O)c1
BDBM50108413 COc1ccc(cc1)[N+](C)(C)CC=C
BDBM50108414 COc1ccc(cc1OC)C(=O)CCc1ccc(cc1)[N+](C)(C)C
BDBM50108415 COc1ccc(cc1OC)C(=O)CCc1ccc(cc1)[N+](C)(C)Cc1ccccc1
BDBM50108416 CC(=O)Oc1ccc(cc1)[N+](C)(C)CC=C
BDBM50108417 COc1ccc(cc1OC)C(=O)CCc1cccc(c1)[N+](C)(C)C
BDBM50108418 COc1cccc(c1)[N+](C)(C)CC=C
BDBM50108419 C[N+](C)(CC=C)c1cccc(O)c1
BDBM50154663 C[N+](c1cc(Cl)cc(Cl)c1)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+](C)c3cc(Cl)cc(Cl)c3)cc2)cc1 |(-6.66,2.21,;-6.68,.67,;-8.01,-.08,;-9.32,.72,;-10.65,-.03,;-11.97,.74,;-10.68,-1.57,;-9.37,-2.35,;-9.37,-3.89,;-8.04,-1.6,;-5.35,-.12,;-5.39,-1.67,;-4.06,-2.46,;-2.7,-1.71,;-1.93,-3.05,;-.39,-3.05,;.38,-4.37,;1.93,-4.37,;2.7,-3.04,;4.24,-3.04,;4.99,-1.71,;3.66,-.97,;3.66,.58,;4.99,1.37,;6.32,.6,;6.32,-.94,;4.99,2.89,;3.63,3.67,;6.32,3.69,;6.3,5.21,;7.63,5.98,;7.63,7.51,;8.99,5.23,;8.99,3.69,;10.32,2.91,;7.65,2.89,;1.93,-1.71,;.38,-1.71,;-2.68,-.17,;-4.01,.62,)|
BDBM50109572 CN(C)C(=O)Oc1cccnc1COC(=O)C(C)(c1ccccc1)c1ccccc1
BDBM50109573 CN(C)C(=O)Oc1cccnc1CO
BDBM50109575 CN(C)C(=O)OC1=CCCN(C)C1COC(=O)C(C)(c1ccccc1)c1ccccc1 |t:6|
BDBM50157911 COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@@]4(O)[C@](C)(CCC(=O)OC4(C)C)[C@]3(O)Cc2c(=O)o1
BDBM50157912 COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@]45OC(=O)[C@](OC)(C(=O)[C@]4(C)[C@]3(O)Cc2c(=O)o1)C5(C)C |THB:19:18:34:25.23|
BDBM50108427 CC(=O)Oc1cccc(c1)[N+](C)(C)CC=C
BDBM50108428 CC(=O)Oc1ccccc1[N+](C)(C)Cc1ccccc1
BDBM50108429 COc1ccccc1[N+](C)(C)Cc1ccccc1
BDBM50108430 C[N+](C)(Cc1ccccc1)Cc1cccc(O)c1
BDBM50108431 COc1cccc(C[N+](C)(C)C)c1
BDBM50194442 Oc1ccc2[nH]c3cnccc3c2c1
BDBM50194443 Cn1c2ccc(O)cc2c2cc[n+](C)cc12
BDBM50194444 COc1ccc2[nH]c3C(C)NCCc3c2c1
BDBM50039725 O=S(=O)(Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1)c1ccccc1
BDBM50039726 C(N1CCC(CC1)\C=C/c1noc2ccccc12)c1ccccc1
BDBM50157913 COC1=CC(=O)[C@@]2(C)[C@](O)(CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@@]23O)-c2cc(OC)c(OC)c(OC)c2)C1(C)C |t:2|
BDBM50157914 COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@]4(O)C(C)(C)C(=O)CC[C@]4(C)[C@]3(O)Cc2c(=O)o1
BDBM50157915 COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@]4(O)C(C)(C)C(=O)C=C[C@]4(C)[C@]3(O)Cc2c(=O)o1 |c:24|
BDBM50194440 Cc1[n+](C)ccc2c1[nH]c1ccc(O)cc21
BDBM50194441 Cn1c2ccc(O)cc2c2ccncc12
BDBM50154652 C(c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)n1ccc(cc1)=[N+]1CCCC1 |(4.09,-2.71,;2.55,-2.71,;1.78,-4.04,;.24,-4.04,;-.53,-2.71,;-2.05,-2.71,;-2.84,-1.38,;-2.79,.16,;-4.12,.96,;-5.48,.21,;-5.5,-1.33,;-4.19,-2.12,;-6.79,1,;-6.91,2.54,;-8.4,2.89,;-9.21,1.56,;-8.21,.41,;.24,-1.38,;1.78,-1.38,;4.86,-1.38,;3.51,-.63,;3.51,.91,;4.86,1.7,;6.19,.93,;6.19,-.61,;4.86,3.22,;6.08,4.13,;5.6,5.58,;4.07,5.58,;3.6,4.12,)|
BDBM50154653 C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)c2)cc1 |(-11.11,.84,;-9.76,1.56,;-9.69,3.08,;-8.32,3.8,;-8.27,5.35,;-9.57,6.15,;-9.52,7.69,;-10.93,5.43,;-10.99,3.9,;-8.44,.72,;-7.09,1.44,;-5.77,.62,;-5.83,-.92,;-4.29,-.9,;-3.51,-2.23,;-4.27,-3.55,;-3.51,-4.9,;-1.97,-4.9,;-1.2,-3.55,;-1.97,-2.23,;.35,-3.55,;1.11,-4.9,;2.64,-4.9,;3.43,-3.55,;2.64,-2.23,;3.39,-.88,;4.93,-.88,;5.68,.46,;7.22,.47,;8.02,-.85,;7.25,-2.2,;5.7,-2.2,;9.56,-.85,;10.33,-2.18,;10.3,.47,;11.83,.47,;12.58,1.8,;11.82,3.13,;12.58,4.46,;10.29,3.09,;9.54,1.76,;1.09,-2.23,;-7.19,-1.62,;-8.51,-.8,)|
BDBM50154654 C(c1cccc(c1)-c1cccc(Cn2ccc(cc2)=[N+]2CCCCC2)c1)n1ccc(cc1)=[N+]1CCCCC1 |(-4.03,.12,;-3.24,-1.22,;-4.01,-2.54,;-3.24,-3.86,;-1.7,-3.86,;-.93,-2.52,;-1.7,-1.2,;.61,-2.52,;1.36,-3.86,;2.88,-3.86,;3.66,-2.52,;2.88,-1.19,;3.66,.14,;5.19,.14,;5.96,-1.19,;7.5,-1.18,;8.24,.17,;7.48,1.49,;5.93,1.47,;9.78,.17,;10.56,-1.17,;12.08,-1.15,;12.84,.18,;12.07,1.49,;10.53,1.49,;1.36,-1.2,;-5.56,.12,;-6.91,-.61,;-8.23,.23,;-8.18,1.75,;-6.8,2.47,;-5.49,1.63,;-9.47,2.56,;-9.4,4.11,;-10.69,4.92,;-12.06,4.21,;-12.11,2.69,;-10.8,1.83,)|
BDBM50154655 C[N+](c1ccccc1)=c1ccn(Cc2cccc(Cn3ccc(cc3)=[N+](C)c3ccccc3)c2)cc1 |(1.31,3.04,;2.65,2.28,;3.98,3.06,;3.97,4.6,;5.31,5.35,;6.65,4.6,;6.66,3.06,;5.34,2.28,;2.67,.74,;3.98,-.02,;3.98,-1.57,;2.67,-2.32,;2.69,-3.88,;1.34,-4.64,;1.34,-6.2,;,-6.98,;-1.32,-6.2,;-1.32,-4.66,;-2.66,-3.89,;-2.66,-2.32,;-1.31,-1.57,;-1.32,-.02,;-2.66,.75,;-4,-.02,;-4,-1.57,;-2.67,2.29,;-1.35,3.08,;-4.01,3.04,;-4.01,4.6,;-5.35,5.32,;-6.66,4.55,;-6.64,3.03,;-5.32,2.28,;,-3.88,;1.34,-1.57,;1.33,-.03,)|
BDBM50194445 COc1ccc2n(C)c3c(C)nccc3c2c1
BDBM50194446 Cc1nccc2c3cc(O)ccc3[nH]c12
BDBM50020168 COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC
BDBM50089510 Fc1cccc(c1)-c1c2ccc(n2)c(-c2cccc(F)c2)c2ccc([nH]2)c(-c2cccc(F)c2)c2ccc([nH]2)c(-c2cccc(F)c2)c2ccc1n2
BDBM50070010 C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O
BDBM50089502 Fc1nc(F)c(F)c(c1F)-c1c2ccc(n2)c(-c2c(F)c(F)nc(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)nc(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)nc(F)c2F)c2ccc1n2 |(4.77,-16.03,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;10.1,-16.16,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;6.16,-13.74,;4.84,-12.94,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;15.95,-10.52,;16.08,-7.84,;15.37,-6.49,;16.19,-5.2,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;4.95,1.13,;7.61,1.14,;8.94,.37,;10.27,1.16,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.54,-8.8,;2.31,-10.13,;-.02,-8.8,;-.79,-10.13,;-.79,-7.46,;,-6.12,;-.79,-4.79,;1.52,-6.12,;2.29,-4.79,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)|
BDBM50089503 Oc1ccc(O)c(c1)-c1c2ccc(n2)c(-c2cc(O)ccc2O)c2ccc([nH]2)c(-c2cc(O)ccc2O)c2ccc([nH]2)c(-c2cc(O)ccc2O)c2ccc1n2 |(17.29,-25.65,;18.65,-24.91,;19.95,-25.72,;21.31,-24.98,;21.35,-23.43,;22.71,-22.71,;20.04,-22.64,;18.69,-23.36,;20.09,-21.1,;18.76,-20.28,;17.34,-20.88,;16.34,-19.7,;17.15,-18.39,;18.65,-18.76,;16.38,-17.06,;14.84,-17.08,;14.05,-15.75,;12.53,-15.75,;11.74,-14.42,;11.74,-17.08,;12.51,-18.41,;14.07,-18.41,;14.84,-19.74,;17.13,-15.73,;16.38,-14.39,;17.4,-13.25,;18.81,-13.86,;18.65,-15.4,;20.14,-13.09,;20.14,-11.56,;18.81,-10.79,;18.81,-9.25,;17.48,-8.48,;20.14,-8.48,;21.47,-9.25,;21.47,-10.79,;22.81,-11.56,;21.47,-13.86,;22.81,-13.09,;23.92,-14.38,;23.15,-15.72,;21.63,-15.4,;23.99,-17.25,;25.53,-17.33,;26.23,-18.69,;27.77,-18.76,;28.48,-20.14,;28.61,-17.47,;27.9,-16.1,;26.36,-16.03,;25.66,-14.66,;23.15,-18.55,;23.89,-19.9,;22.82,-21.02,;21.44,-20.35,;21.63,-18.83,)|
BDBM50089504 Fc1cnc(F)c(F)c1-c1c2ccc(n2)c(-c2c(F)cnc(F)c2F)c2ccc([nH]2)c(-c2c(F)cnc(F)c2F)c2ccc([nH]2)c(-c2c(F)cnc(F)c2F)c2ccc1n2 |(10.18,-13.08,;8.82,-13.81,;8.78,-15.35,;7.42,-16.09,;6.12,-15.28,;4.77,-16.03,;6.16,-13.74,;4.84,-12.94,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.83,-6.41,;13.13,-5.05,;15.37,-6.49,;16.08,-7.84,;15.24,-9.15,;15.95,-10.52,;13.7,-9.08,;12.86,-10.38,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;10.27,1.16,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.54,-8.8,;2.31,-10.13,;-.02,-8.8,;-.79,-7.46,;,-6.12,;-.79,-4.79,;1.52,-6.12,;2.29,-4.79,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)|
BDBM50008587 CN1CCC(CC1)C1Cc2ccccc2C1=O
BDBM50008588 CC1CCN(CC2CCCCC2)CC1
BDBM50119803 C(CCC[n+]1ccc2ccccc2c1)CC[n+]1ccc2ccccc2c1
BDBM50025238 CCCCCCCCc1noc(n1)C(SCCN(CC)CC)N=O
BDBM50025239 CCN(CC)CCSC(N=O)c1nc(Cc2ccccc2)no1
BDBM50025240 CCCCCCCCc1noc(CN=O)n1
BDBM50025241 O=NCc1nc(no1)-c1cccs1
BDBM50025242 CCN(CC)CCSC(N=O)c1nc(no1)-c1ccccc1
BDBM50025243 CC(C)(C)c1noc(CN=O)n1
BDBM50025244 O=NCc1nc(no1)-c1ccccc1
BDBM50025245 O=NCc1nc(no1)-c1ccncc1
BDBM50084228 CCN(CC)c1nc2scc(C)c2c(=O)o1
BDBM50084229 CCN(CC)c1nc2sc3CCCC(C)c3c2c(=O)o1
BDBM50083537 COC1CCc2nc(OC)ccc2C1(C)NC(=O)C1CCN(Cc2ccccc2)CC1
BDBM50273061 CCN(C)CCc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50273063 COc1cc2CC(Oc3cccc(CCN4CCCC4)c3)C(=O)c2cc1OC
BDBM50179312 CN(C)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
BDBM50059902 CCCCSC(=O)OCC[N+](C)(C)C
BDBM50059903 CCCCCSC(=O)OCC[N+](C)(C)C
BDBM50059904 CCC(C)(C)SC(=O)OCC[N+](C)(C)C
BDBM50059905 CCCCCCSC(=O)OCC[N+](C)(C)C
BDBM50059894 CCc1ccccc1SC(=O)OCC[N+](C)(C)C
BDBM50059895 C[N+](C)(C)CCOC(=O)Sc1ccccc1
BDBM50288966 CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:19.22|
BDBM50288979 CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC |w:19.22|
BDBM50179313 Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)s1
BDBM50194432 COc1ccc2n(C)c3c(C)[n+](C)ccc3c2c1
BDBM50190753 CCCC(CC1(CCCC1)C(=O)Nc1nnc(Cc2ccccc2)s1)C(O)=O
BDBM50190755 CCCC(CC1(CCCC1)C(=O)NC1Cc2ccccc2C1)C(O)=O
BDBM50190757 CCCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(N)=O)C(O)=O |wU:13.13,16.20,(-5.69,-23.39,;-5.69,-24.93,;-4.36,-25.7,;-4.36,-27.24,;-3.03,-28.01,;-1.69,-27.24,;-2.94,-26.34,;-2.46,-24.87,;-.92,-24.87,;-.45,-26.34,;-.36,-28.01,;-.36,-29.55,;.97,-27.24,;2.31,-28.01,;3.63,-27.24,;4.97,-28.02,;4.96,-29.56,;3.62,-30.32,;2.3,-29.55,;6.29,-30.33,;7.63,-29.57,;6.29,-31.87,;-5.69,-28.01,;-7.03,-27.24,;-5.69,-29.55,)|
BDBM50190758 CCCC(CC1(CCCC1)C(=O)Nc1nnc(CC(C)C)s1)C(O)=O
BDBM50190759 CCCC(CC1(CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(O)=O
BDBM50190778 CCCNc1ccnc(NC(=O)C2(CC(CCC)C(O)=O)CCCC2)n1
BDBM50190779 CCCC(CC1(CCCC1)c1nnc(o1)-c1ccc(=O)n(Cc2ccccc2)c1)C(O)=O
BDBM50190780 CCCCc1ccnc(NC(=O)C2(CC(CCC)C(O)=O)CCCC2)c1
BDBM50190781 CCCC(CC1(CCCC1)C(=O)N[C@@H]1CCCC[C@@H]1CCC)C(O)=O
BDBM50307927 Clc1cccc(Cl)c1\C=N\N=c1ccn(CCCc2ccccc2)cc1 |(14.77,-30.22,;13.43,-30.99,;12.1,-30.22,;10.77,-31,;10.77,-32.54,;12.11,-33.3,;12.12,-34.84,;13.43,-32.53,;14.77,-33.3,;16.1,-32.53,;17.43,-33.29,;18.77,-32.52,;20.1,-33.29,;21.43,-32.52,;21.43,-30.98,;22.77,-30.22,;24.1,-30.99,;25.44,-30.22,;26.77,-31,;26.75,-32.54,;28.09,-33.31,;29.42,-32.54,;29.42,-30.99,;28.09,-30.23,;20.1,-30.21,;18.76,-30.98,)|
BDBM50307928 Clc1cccc(Cl)c1Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(6.37,-36.83,;6.37,-38.37,;7.71,-39.13,;7.71,-40.68,;6.37,-41.45,;5.04,-40.67,;3.7,-41.44,;5.05,-39.14,;3.72,-38.36,;2.39,-39.13,;2.38,-40.67,;1.05,-41.44,;-.28,-40.67,;-.29,-39.13,;1.05,-38.36,;-1.61,-41.44,;-2.95,-40.67,;-4.28,-41.44,;-5.62,-40.68,;-5.61,-39.14,;-4.28,-38.37,;-6.95,-38.37,;-8.28,-39.14,;-8.28,-40.69,;-6.94,-41.45,;-6.93,-42.99,)|
BDBM50062599 CC12CC3CC(C)(C1)CC(N)(C3)C2 |TLB:7:1:4.5.8:11,10:9:4:2.7.1,0:1:4:8.9.11,THB:7:5:11:2.1.12,12:1:4:8.9.11,12:9:4:2.7.1,6:5:11:2.1.12|
BDBM50062613 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1cc(O)ccc31 |r,TLB:0:1:12.18.11:9|
BDBM50190771 CCC[C@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O
BDBM50190772 CCCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(=O)N(C)C)C(O)=O |wU:13.13,16.20,(-6.79,-6.07,;-6.79,-7.61,;-5.46,-8.38,;-5.46,-9.92,;-4.12,-10.69,;-2.79,-9.92,;-4.04,-9.02,;-3.56,-7.55,;-2.02,-7.55,;-1.54,-9.02,;-1.46,-10.69,;-1.46,-12.23,;-.12,-9.92,;1.21,-10.69,;2.53,-9.92,;3.87,-10.7,;3.87,-12.24,;2.53,-13,;1.2,-12.23,;5.2,-13.02,;5.19,-14.56,;6.53,-12.25,;7.86,-13.03,;6.54,-10.71,;-6.79,-10.69,;-8.12,-9.92,;-6.79,-12.23,)|
BDBM50276548 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50276560 C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
BDBM50194438 COc1ccc2[nH]c3c[n+](C)ccc3c2c1
BDBM50194439 Cc1[n+](C)ccc2c1n(C)c1ccc(O)cc21
BDBM50250633 C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]4(O)CC3=CC[C@]12C)NC(=O)c1ccccc1)N(C)C |r,c:22|
BDBM50250634 C\C=C(/C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C |r,t:13|
BDBM50250635 CC(C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C |r,t:12|
BDBM50248846 CCN(CC)Cc1cccc(Cc2oc3cc(OC)c(OC)cc3c2O)c1
BDBM50248847 CCN(CC)Cc1ccc(Cc2oc3cc(OC)c(OC)cc3c2O)cc1
BDBM50248848 COc1cc2CC(Cc3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
BDBM50248878 COc1cc2oc(Cc3ccc(CN4CCCC4)cc3)c(O)c2cc1OC
BDBM50248879 COc1cc2CC(Cc3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
BDBM50269614 C[n+]1ccc2c(c1)[nH]c1ccccc21
BDBM50221912 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 |w:18.18|
BDBM50244248 CCN(CC)CCCOc1ccc(\C=C2/CCn3c2nc2ccccc2c3=O)cc1
BDBM50244249 O=c1n2CC\C(=C/c3ccc(OCCN4CCCCC4)cc3)c2nc2ccccc12
BDBM50244250 O=c1n2CC\C(=C/c3ccc(OCCCN4CCCCC4)cc3)c2nc2ccccc12
BDBM50279266 CN(C)C(=O)Oc1ccc(CN2CCN(CC#C)CC2)c2cccnc12
BDBM50241345 O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
BDBM50089623 CC1(CO)[C@@H](O)CC[C@@]2(C)C1C[C@H](O)[C@@]1(C)Oc3cc(oc(=O)c3C(=O)C21)-c1cccnc1
BDBM50252743 O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)C=Cc1ccccc1 |r,w:22.24|
BDBM50252745 Oc1ccc(C=CC(=O)O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)OC(=O)NCc2ccccc2)cc1 |r,w:6.6|
BDBM50306694 CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCC |r|
BDBM50250155 COc1ccc(cc1OC)C(=O)c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50250156 COc1ccc(cc1OC)C(=O)c1ccc(CN2CCOCC2)cc1
BDBM50288967 CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:22.25|
BDBM50288968 CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC |w:18.21|
BDBM50288972 CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:2.1|
BDBM50288973 CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl |w:12.12|
BDBM50288974 CCCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:3.2|
BDBM50288975 CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC |w:21.24|
BDBM50288976 CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21 |w:2.1|
BDBM50288977 CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21 |w:2.1|
BDBM50055156 CN1C2[N@H+](C)CC[C@@]2(C)c2cc(OC(=O)NCc3ccccc3)ccc12
BDBM50310278 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOc1ccccc1
BDBM50310279 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCCOn1nnc2ccccc12
BDBM50310280 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCCOc1cccc2[nH]c3ccccc3c12
BDBM50310281 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1cccc2[nH]c3ccccc3c12
BDBM50310282 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCOc1ccccc1
BDBM50310283 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCCCOc1ccccc1
BDBM50310284 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOc1cccc2[nH]c3ccccc3c12
BDBM50310285 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCCCOc1cccc2[nH]c3ccccc3c12
BDBM50250440 CCN1CCc2c(C1)c(O)c(OC)c1c2ccc2cc(O)c(OC)cc12
BDBM50250441 CCCN1CCc2c(C1)c(O)c(OC)c1c2ccc2cc(O)c(OC)cc12
BDBM50250442 CCCCN1CCc2c(C1)c(O)c(OC)c1c2ccc2cc(O)c(OC)cc12
BDBM50250443 COc1cc2c(ccc3c4CCN(CC(C)C)Cc4c(O)c(OC)c23)cc1O
BDBM50249616 COc1ccc(cc1)C(=O)c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50249617 COc1ccc(cc1F)C(=O)c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50306343 COc1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1
BDBM50306344 O=C(Nc1ccccc1)C(CC(=O)c1ccccc1)N1CCCCC1
BDBM50306345 O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)n1ccnc1
BDBM50306346 CC(C)c1ccc(cc1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
BDBM50306347 Cc1ccc(C)c(c1)C(=O)CC(C(=O)Nc1ccccc1)n1ccnc1
BDBM50306348 O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)N1CCOCC1
BDBM50306349 CC(C)c1ccc(cc1)C(=O)CC(N1CCOCC1)C(=O)Nc1ccccc1
BDBM50306350 O=C(Nc1ccccc1)C(CC(=O)c1ccccc1)N1CCOCC1
BDBM50306351 O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)N1CCCCC1
BDBM50306352 CC(C)c1ccc(C(=O)CC(N2CCCCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
BDBM50190736 CCC[C@@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
BDBM50190737 CCc1nnc(NC(=O)C2(CC(CCc3ccccc3)C(O)=O)CCCC2)s1
BDBM50190738 CCc1nnc(NC(=O)C2(CC(CCC(C)C)C(O)=O)CCCC2)s1
BDBM50190739 CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(C)s1)C(O)=O
BDBM50190740 CCCC(CC1(CCCC1)C(=O)NCc1nnc(C)s1)C(O)=O
BDBM50032380 CN(CCOCCNC(=O)Nc1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
BDBM50032381 CN(CCOCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1
BDBM50032382 CN(CCOCCNC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
BDBM50032383 CN(CCOCCNC(=S)NC(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
BDBM50032384 CN(CCOCCNC(=S)NC(=O)c1ccccc1)C1CCCCC1
BDBM50032385 CN(CCOCCNC(=S)Nc1ccc(Cl)cc1)Cc1ccccc1
BDBM50032386 CN(CCOCCNC(=S)NC(=O)c1ccc(C)cc1)Cc1ccccc1
BDBM50032387 CN(CCOCCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1
BDBM50032388 CN(CCOCCNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1
BDBM50032389 CN(CCOCCNC(=S)Nc1cccnc1)Cc1ccccc1
BDBM50032390 CN(CCOCCNC([S-])=[NH+]C(=O)c1cccc(c1)[N+]([O-])=O)Cc1ccccc1 |w:10.10|
BDBM50032391 O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50032392 COc1ccc(NC(=[SH+])[N-]CCOCCN(C)Cc2cccc(c2)[N+]([O-])=O)cc1OC
BDBM50032393 CN(CCOCCNC(=S)NC(=O)c1ccc(Cl)cc1)Cc1ccccc1
BDBM50032394 CN(CCOCCNC(=S)NC(=O)c1ccc2C(=O)c3ccccc3-c2c1)Cc1ccccc1
BDBM50249618 CN(Cc1ccccc1)Cc1ccc(cc1)C(=O)c1ccc2ccccc2c1
BDBM50241808 COc1ccc2c3c1oc(=O)c1c(CCN(C)C)cc(OC)c(oc2=O)c31
BDBM50244216 O=c1n2CCCc2nc2ccccc12
BDBM50244217 CCN(CC)CCOc1ccc(\C=C2/CCn3c2nc2ccccc2c3=O)cc1
BDBM50194433 COc1ccc2n(C)c3c[n+](C)ccc3c2c1
BDBM50194434 COc1ccc2n(C)c3cnccc3c2c1
BDBM50194435 COc1ccc2[nH]c3c(C)[n+](C)ccc3c2c1
BDBM50194436 Cc1nccc2c3cc(O)ccc3n(C)c12
BDBM50194437 C[n+]1ccc2c(c1)[nH]c1ccc(O)cc21
BDBM50138731 CCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
BDBM50138732 CN(C)C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(C)cc1
BDBM50252786 O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)C1CCCC1 |r|
BDBM50262878 C[N+](C)(C)c1cc(O)cc(OCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1
BDBM50262879 C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1
BDBM50262880 Cc1c(C)c(=O)oc2cc(OCCCOc3cc(O)cc(c3)[N+](C)(C)C)ccc12
BDBM50221908 CCN(CCCCCCNc1c(O)c(Cl)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1Cl)Cc1ccccc1OC |w:16.15|
BDBM50221909 CCN(CCCCCNc1cc(O)c(cc1O)N=CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:17.17|
BDBM50221910 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1cccc(OC)c1)Cc1cccc(OC)c1 |w:18.18|
BDBM50221911 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccncc1)Cc1ccncc1 |w:18.18|
BDBM50244251 CCN(CC)CCOc1ccc(CC2CCn3c2nc2ccccc2c3=O)cc1
BDBM50089624 CC1(CO)[C@@H](O)CC[C@@]2(C)C1C[C@H](O)[C@@]1(C)Oc3cc(oc(=O)c3C(=O)C21)-c1ccncc1
BDBM50089625 COc1ccc(cc1OC)-c1cc2O[C@]3(C)[C@@H](O)CC4C(C)(CO)[C@@H](O)CC[C@]4(C)C3C(=O)c2c(=O)o1
BDBM50089626 CC1(CO)[C@@H](O)CC[C@@]2(C)C1C[C@H](O)[C@@]1(C)Oc3cc(oc(=O)c3C(=O)C21)-c1ccccc1
BDBM50087659 C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(cc4)=[N+](C)C)cc3)cc2)cc1 |(20.93,-7.34,;20.91,-5.8,;22.24,-5.01,;19.58,-5.03,;18.25,-5.81,;16.9,-5.05,;16.89,-3.51,;15.56,-2.74,;14.22,-3.52,;14.22,-5.06,;12.89,-5.85,;11.56,-5.07,;10.23,-5.85,;8.89,-5.08,;7.56,-5.85,;6.22,-5.08,;4.89,-5.87,;4.89,-7.41,;3.54,-8.18,;2.21,-7.41,;2.22,-5.87,;.89,-5.1,;-.46,-5.87,;-.44,-7.42,;.89,-8.18,;-1.79,-5.1,;-3.13,-5.87,;-1.79,-3.55,;6.22,-8.18,;7.56,-7.41,;11.55,-3.54,;12.88,-2.76,;18.22,-2.72,;19.56,-3.48,)|
BDBM50267157 CCN(CC)Cc1ccc(OCCCCCCN2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(C2)ccc3OC)cc1 |r,c:21|
BDBM50288981 CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1 |w:18.21|
BDBM50288982 CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0|
BDBM50089616 COc1cc(cc(OC)c1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |r,c:26|
BDBM50089617 COc1cccc(c1)-c1cc2O[C@]3(C)[C@@H](O)CC4C(C)(CO)[C@@H](O)CC[C@]4(C)C3C(=O)c2c(=O)o1
BDBM50089618 CC1(CO)[C@@H](O)CC[C@@]2(C)C1C[C@H](O)[C@@]1(C)Oc3cc(oc(=O)c3C(=O)C21)-c1ccc(Cl)nc1
BDBM50089619 COc1ccc(cc1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |c:24|
BDBM50089620 COc1ccc(cc1)-c1cc2O[C@]3(C)[C@@H](O)CC4C(C)(CO)[C@@H](O)CC[C@]4(C)C3C(=O)c2c(=O)o1
BDBM50089621 COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |c:22|
BDBM50089622 CC1(CO)[C@@H](O)CC[C@@]2(C)C1C[C@H](O)[C@@]1(C)Oc3cc(oc(=O)c3C(=O)C21)-c1ccccn1
BDBM50016807 CC1C(CCO)SCN1Cc1cnc(C)nc1N
BDBM50016808 Cc1ncc(CN2CSC3CCOC23C)c(N)n1
BDBM50016809 [Cl-].Cc1c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
BDBM50016810 [I-].CCc1sc[n+](C)c1C
BDBM50016811 [I-].Cc1csc[n+]1C
BDBM50016812 [I-].Cc1c(CCO)sc[n+]1C
BDBM50016813 [I-].C[n+]1ccsc1
BDBM50016814 CCc1scnc1C
BDBM50016815 Cc1cscn1
BDBM50016817 Cc1ncsc1CCO
BDBM50016818 Cc1cnc(C)nc1N
BDBM50016827 [Br-].C(c1ccccc1)[n+]1cc2ccccc2c2ccccc12
BDBM50175500 CN[C@@H](CCOc1ccc(cc1)[N+]([O-])=O)c1ccc(OC(=O)N(C)C)cc1
BDBM50175503 CN(C)C(=O)Oc1ccc2[C@@H](CCOc3ccc(cc3)[N+]([O-])=O)N(C)CC=Cc2c1 |c:27|
BDBM50306695 [O-][N+](=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)OC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 |r|
BDBM50146866 Cc1cn(C2OC(COP3(=O)OCc4cc(CCC(=O)OCc5ccccc5)ccc4O3)C=C2)c(=O)[nH]c1=O |c:35|
BDBM50070476 Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2 |(4.84,-12.94,;6.16,-13.74,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;2.29,-4.79,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)|
BDBM50267150 COc1ccc2CN(CCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32|
BDBM50146852 Cc1cn(C2OC(COP3(=O)OC(C(Cl)Cl)c4ccccc4O3)C=C2)c(=O)[nH]c1=O |c:25|
BDBM50146853 Cc1cn(C2OC(COP3(=O)OCc4cc(CCC(=O)OC(C)(C)C)ccc4O3)C=C2)c(=O)[nH]c1=O |c:31|
BDBM50262926 Cc1c(C)c(=O)oc2cc(OCCCCOc3cc(O)cc(c3)[N+](C)(C)C)ccc12
BDBM50033493 Cn1c2CCCC(C)(N)c2ccc1=O
BDBM50033494 CC(C)CCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
BDBM50231951 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18|
BDBM50231956 CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0|
BDBM50231957 Cc1c(C)c(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50221905 COc1ccccc1CN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(Cc1ccccc1OC)C(C)C)C(C)C |w:25.26|
BDBM50221906 COc1ccccc1CNCCCCCCNc1cc(O)c(cc1O)N=CCCCCCNCc1ccccc1OC |w:25.26|
BDBM50221907 CCN(CCCCCCNc1c(O)c(-c2ccccc2)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1-c1ccccc1)Cc1ccccc1OC |w:21.21|
BDBM50267151 COc1ccc2CN(CCCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33|
BDBM50267153 COc1ccc2CN(CCCCCCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36|
BDBM50267155 COc1ccc2CN(CCCCCCCCCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:39|
BDBM50231954 CCN(CCCCCC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)CCCCCN(CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC
BDBM50231960 CCCN(C)C(=O)Oc1cc2[C@@H](CCc2cc1Cl)NCC#C
BDBM50231961 COc1ccccc1CNCCCNCCCNCCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
BDBM50033495 [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(c3)C(F)(F)F)-c2ccc1=O
BDBM50033496 [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)cc3Cl)-c2ccc1=O
BDBM50033498 Cn1c2CCCC(NCc3ccccc3)c2ccc1=O
BDBM50209398 OC(C(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
BDBM50271367 CN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM50265251 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)Nc1c2CCCCc2nc2ccccc12 |r|
BDBM50265252 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 |r|
BDBM50265256 O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1CCCN1CCNc1c2CCCCc2nc2ccccc12 |r|
BDBM50273179 CCN(CC)CC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50273181 COc1cc2CC(Oc3ccc(cc3)C(=O)CCN3CCCCC3)C(=O)c2cc1OC
BDBM50221062 COc1cc2CN3CCc4cccc(c34)-c2cc1OC
BDBM50221067 COc1cc2c(C(=O)O[C@@]22[C@@H]3N(C)CCC3=C[C@H](O)[C@H]2O)c(OC)c1OC |c:17|
BDBM50221068 COc1ccc2CN(C)C[C@@H](O)[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:13|
BDBM50248881 COc1cc2oc(Cc3cccc(CN4CCCCC4)c3)c(O)c2cc1OC
BDBM50273258 COc1cc2CC(Oc3ccc(cc3)C(=O)CCCN3CCCCC3)C(=O)c2cc1OC
BDBM50248819 CCN(CC)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50221069 CO[C@H]1C[C@@H]2N3C[C@H](O)[C@@]2(C=C1)c1cc2OCOc2cc1C3 |c:11|
BDBM50221070 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2O |c:5|
BDBM50221072 COc1ccc2CN(C)C[C@@H](O)[C@@]34C=C[C@@H](O)C[C@@H]3Oc1c24 |c:13|
BDBM50248880 COc1cc2CC(Cc3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
BDBM50273221 CCN(CC)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50117613 COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(CCOc2ccccc2)CC1 |(-4.12,-6.71,;-2.8,-5.94,;-1.47,-6.71,;-.16,-5.94,;1.18,-6.71,;2.66,-6.22,;3.57,-7.48,;2.66,-8.74,;1.18,-8.25,;-.14,-9.02,;-1.47,-8.25,;-2.8,-9.02,;-4.12,-8.25,;5.11,-7.48,;5.88,-8.81,;5.88,-6.14,;7.42,-6.14,;8.19,-4.81,;7.28,-3.56,;7.92,-2.16,;9.45,-2.01,;8.47,-.82,;10.96,-1.64,;11.4,-.17,;12.89,.18,;13.34,1.65,;12.29,2.77,;12.72,4.24,;14.22,4.6,;15.29,3.48,;14.85,2,;10.35,-3.25,;9.72,-4.65,)|
BDBM50117614 COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccsc2)cc1
BDBM50179311 CN(C1CCCCC1)c1nc2sc3CCCCc3c2c(=O)o1
BDBM50104891 Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
BDBM50138752 CSc1nc(\C=C\c2ccccc2)nn1C(=O)N(C)C
BDBM50138753 CCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(OC)cc1
BDBM50138754 CCCCCCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
BDBM50248745 CCN(CC)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50248746 COc1cc2C\C(=C/c3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
BDBM50248747 COc1cc2C\C(=C/c3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
BDBM50248748 COc1cc2O\C(=C/c3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
BDBM50248749 COc1cc2O\C(=C/c3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
BDBM50244755 O=C1N(c2cc[nH+]cc2)S(=O)(=O)C2=C1CCCC2 |c:13|
BDBM50228383 O=C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM50228384 O=C(NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
BDBM50228385 C(COCCOCCNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
BDBM50159755 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCN(Cc2cccnc2)CC1 |wU:12.21,3.3,wD:14.17,t:1,TLB:6:5:14:2.1.13,(-2.01,6.29,;-3.08,5.14,;-4.29,4,;-4.33,2.62,;-2.53,2.5,;-1.45,3.11,;.08,3.29,;.97,2.06,;2.53,2.24,;.35,.67,;-1.19,.49,;-2.08,1.7,;-3.6,1.87,;-2.2,4.25,;-4.79,1.12,;-4.09,-.5,;-4.4,-1.69,;-3.22,-.69,;-3.84,.65,;-2.53,-.17,;-1.8,-1.53,;-.28,-1.58,;.5,-2.93,;2.04,-2.96,;2.81,-1.62,;4.34,-1.62,;5.13,-2.98,;6.66,-3,;7.43,-4.32,;6.63,-5.65,;5.09,-5.65,;4.34,-4.31,;2.06,-.27,;.52,-.27,)|
BDBM50211238 O=C(CCCN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
BDBM50211239 C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
BDBM50059906 CC(C)CCSC(=O)OCC[N+](C)(C)C
BDBM50059907 CCSC(=O)OCC[N+](C)(C)C
BDBM50219206 O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12
BDBM50146864 Cc1cn(C2OC(COP3(=O)OCc4cccc(CCC(=O)OCc5ccccc5)c4O3)C=C2)c(=O)[nH]c1=O |c:35|
BDBM50074289 Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
BDBM50074290 C(CN1CCCCC1)Nc1nnc(s1)-c1ccccc1
BDBM50074291 Nc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
BDBM50074292 C(CN1CCc2ccccc2C1)Nc1ccc(nn1)-c1ccccc1
BDBM50074293 C(CN1CCCCC1)Nc1ncc(nn1)-c1ccccc1
BDBM50157597 CCN(CCCCCC(=O)N1CCC(CC1)C1CCN(CC1)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC
BDBM50146849 Cc1cn(C2OC(COP3(=O)OCc4cccc(-c5ccccc5)c4O3)C=C2)c(=O)[nH]c1=O |c:29|
BDBM50146850 Cc1cn(C2OC(COP3(=O)OCc4ccc5ccccc5c4O3)C=C2)c(=O)[nH]c1=O |c:27|
BDBM50146851 Cc1cn(C2OC(COP3(=O)OC(CCl)c4ccccc4O3)C=C2)c(=O)[nH]c1=O |c:24|
BDBM50146856 Cc1cn(C2OC(COP3(=O)OCc4cc(ccc4O3)-c3ccccc3)C=C2)c(=O)[nH]c1=O |c:29|
BDBM50146857 Cc1cccc2COP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(F)c(=O)[nH]c3=O)Oc12 |r|
BDBM50146858 Cc1cn(C2OC(COP3(=O)OCc4cc(ccc4O3)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:26|
BDBM50146859 Cc1cn(C2OC(COP3(=O)OCc4cc5ccccc5cc4O3)C=C2)c(=O)[nH]c1=O |c:27|
BDBM50146860 Cc1cccc2COP(=O)(OCC(CO)CCn3cnc4c3nc(N)[nH]c4=O)Oc12
BDBM50146861 CCCCC1OP(=O)(OCC2OC(C=C2)n2cc(C)c(=O)[nH]c2=O)Oc2cccc(Cl)c12 |c:13|
BDBM50146862 Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12
BDBM50146863 Cc1cccc2COP(=O)(OCCOCn3cnc4c3nc(N)[nH]c4=O)Oc12
BDBM50085551 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
BDBM50039219 [O-][N+](=O)c1cccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)c1
BDBM50079871 CC1=CC2CC(C1)c1c(C2)nc2cc(C)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4|
BDBM50079872 Nc1c2C3CC(Cc2nc2ccccc12)C=C(CC=C)C3 |t:18,TLB:1:2:16.15.20:4,THB:17:16:2.7.6:4|
BDBM50079873 CCCCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:4,TLB:20:10:4.5.9:7,THB:3:4:10.11.12:7|
BDBM50202301 O=C1c2ccccc2-c2c3OCOc3cc3ccnc1c23
BDBM50074269 C(N1CCC(CC1)Nc1ccc(nn1)-c1ccccc1)c1ccccc1
BDBM50074270 Cc1cc(nnc1NCCN1CCCCC1)-c1ccc(Cl)cc1
BDBM50074271 CN(CCNc1ccc(nn1)-c1ccccc1)Cc1ccccc1
BDBM50074272 C(CN1CCCCC1)Nc1ncc(cn1)-c1ccccc1
BDBM50200329 CC(=O)NC1C2Cc3nc4cc(Cl)ccc4c(N)c3C1CC(C)=C2 |c:25,TLB:16:18:4:23.21.20,THB:22:21:4:18.6.7,3:4:18.6.7:23.21.20,8:7:4:23.21.20|
BDBM50200330 CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2NS(C)(=O)=O |t:1,TLB:0:1:19:16.4.5,6:5:19:2.1.18,THB:20:19:16.4.5:2.1.18,14:16:19:2.1.18|
BDBM50200332 CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2N |t:1,TLB:0:1:19:16.4.5,6:5:19:2.1.18,THB:20:19:16.4.5:2.1.18,14:16:19:2.1.18|
BDBM50200333 CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2NC=O |t:1,TLB:0:1:19:16.4.5,6:5:19:2.1.18,THB:20:19:16.4.5:2.1.18,14:16:19:2.1.18|
BDBM50200334 CC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N |t:1|
BDBM50200335 CC12CC3Cc4nc5cc(Cl)ccc5c(N)c4C(C1)C3N2S(C)(=O)=O |TLB:4:3:20:17.18,THB:16:17:20:3.2|
BDBM50200336 CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(C)ccc2c1N |t:2|
BDBM50200337 CC12CC3Cc4nc5cc(Cl)ccc5c(N)c4C(C1)C3N2 |TLB:4:3:20:17.18,THB:16:17:20:3.2|
BDBM50200340 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1,THB:18:7:1.2.6:4,10:8:1.2.6:4|
BDBM50200341 CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(F)ccc2c1N |t:2|
BDBM50200343 CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N |t:2|
BDBM50293442 C[N+]1(CCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCOCC1
BDBM50293443 O=C1c2ccccc2-c2cccc3ccnc1c23
BDBM50293444 OCCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23
BDBM50293445 OCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23
BDBM50293446 CC[N+](C)(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
BDBM50293447 CC[N+](C)(CC)CCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23
BDBM50293448 CC[N+](C)(CC)CCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23
BDBM50293449 C[N+](C)(C)CCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23
BDBM50293450 C[N+](C)(C)CCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23
BDBM50293451 C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1
BDBM50146865 CCC(C)c1cccc2COP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)Oc12 |c:18|
BDBM50074273 C(CN1CCCCC1)Nc1ccc(cn1)-c1ccccc1
BDBM50070472 Fc1c(F)c(F)c(c(F)c1F)-c1c2ccc(n2)c(-c2c(F)c(F)c(F)c(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)c(F)c(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)c(F)c(F)c2F)c2ccc1n2 |(7.89,-28.76,;7.93,-27.22,;9.28,-26.48,;10.6,-27.29,;9.31,-24.94,;10.67,-24.21,;8.01,-24.14,;6.65,-24.87,;5.34,-24.05,;6.61,-26.41,;5.27,-27.15,;8.05,-22.6,;6.74,-21.79,;5.3,-22.37,;4.31,-21.21,;5.12,-19.9,;6.61,-20.25,;4.35,-18.57,;2.81,-18.57,;2.04,-19.92,;2.81,-21.25,;.49,-19.92,;-.28,-21.25,;-.28,-18.59,;-1.82,-18.59,;.5,-17.24,;-.28,-15.91,;2.03,-17.24,;2.78,-15.91,;5.11,-17.23,;4.35,-15.89,;5.37,-14.75,;6.77,-15.38,;6.61,-16.92,;8.1,-14.61,;8.1,-13.07,;9.45,-12.3,;10.78,-13.07,;9.45,-10.75,;10.77,-9.97,;8.1,-9.98,;8.1,-8.44,;6.77,-10.75,;5.44,-9.99,;6.77,-12.3,;5.44,-13.07,;9.45,-15.38,;10.85,-14.75,;11.88,-15.89,;11.11,-17.22,;9.61,-16.91,;11.95,-18.76,;13.49,-18.83,;14.19,-20.2,;13.36,-21.5,;15.74,-20.27,;16.45,-21.64,;16.57,-18.97,;18.11,-19.05,;15.87,-17.62,;16.7,-16.33,;14.33,-17.54,;13.63,-16.17,;11.11,-20.04,;11.86,-21.39,;10.78,-22.51,;9.41,-21.86,;9.61,-20.32,)|
BDBM50273223 COc1cc2CC(Oc3cccc(c3)C(=O)CCN3CCCC3)C(=O)c2cc1OC
BDBM50117600 COc1cc2cc(sc2cc1OC)C(=O)CC(O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(-.74,-2.58,;.58,-1.81,;1.92,-2.58,;3.23,-1.81,;4.56,-2.58,;6.05,-2.09,;6.96,-3.35,;6.05,-4.61,;4.56,-4.12,;3.25,-4.89,;1.92,-4.12,;.58,-4.89,;-.74,-4.12,;8.5,-3.35,;9.27,-4.68,;9.27,-2.01,;10.82,-2.01,;11.59,-3.35,;11.59,-.68,;13.13,-.68,;13.88,.67,;15.4,.9,;15.95,2.34,;14.98,3.54,;13.74,4.44,;15.54,4.98,;17.06,5.22,;18.02,4.02,;19.54,4.27,;20.1,5.7,;19.12,6.91,;17.6,6.65,;13.46,3.29,;12.9,1.85,)|
BDBM50117601 COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC |(3.16,-1.52,;4.48,-.75,;5.81,-1.52,;7.12,-.75,;8.45,-1.52,;9.94,-1.03,;10.85,-2.29,;12.39,-2.29,;13.14,-.96,;14.68,-.79,;15.29,.62,;14.38,1.86,;13.17,2.82,;14.99,3.26,;16.53,3.43,;17.13,4.85,;18.65,5.02,;19.58,3.78,;18.97,2.37,;17.44,2.19,;12.84,1.68,;12.23,.27,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,)|
BDBM50117602 COCC[N+]1(C)CCC(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 |(15.88,3.41,;15.42,1.94,;13.92,1.58,;13.48,.11,;11.98,-.24,;10.79,.74,;10.44,-.4,;9.8,-1.81,;10.71,-3.05,;9.95,-4.38,;8.4,-4.38,;7.63,-5.73,;8.4,-7.06,;6.09,-5.73,;5.18,-4.47,;3.69,-4.96,;2.36,-4.19,;1.04,-4.96,;-.3,-4.19,;-1.63,-4.96,;1.04,-6.5,;-.3,-7.27,;-1.63,-6.5,;2.37,-7.27,;3.69,-6.51,;5.18,-6.99,;12.24,-2.9,;12.87,-1.5,)|
BDBM50117603 COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](CC=C)cc1
BDBM50117604 COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](C)cc1
BDBM50117605 CC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1
BDBM50293452 C[N+]1(CCCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCCCC1
BDBM50271469 C=CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM50271470 OCCN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM50271480 CN(C)[C@@]12CC(=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C)C(O)=O |r,c:5,THB:19:5:16:8.9.15|
BDBM50271481 CN[C@@]12CC(=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C)C(O)=O |r,c:4,THB:18:4:15:7.8.14|
BDBM50271482 N[C@@]12CC(CO)=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C |r,c:5,THB:4:3:16:8.9.15|
BDBM50070473 Fc1ccc(c(F)c1)-c1c2ccc(n2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc1n2 |(7.4,-17.63,;7.42,-16.09,;6.12,-15.28,;6.16,-13.74,;7.51,-13.01,;8.82,-13.81,;10.18,-13.08,;8.78,-15.35,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;15.24,-9.15,;16.08,-7.84,;17.62,-7.93,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;8.94,-1.17,;8.94,.37,;7.61,1.14,;7.6,2.68,;6.28,.37,;6.28,-1.17,;4.94,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;,-6.12,;-.79,-7.46,;-2.32,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)|
BDBM50221063 CC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5OCOc5cc4[C@H]1[C@@H]23 |r,t:7|
BDBM50221065 COc1cc2C(=O)O[C@@]3([C@@H]4N(C)CCC4=C[C@H](O)[C@H]3O)c2cc1OC |c:15|
BDBM50221066 O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@@H]23)[C@@H]1O |r,t:2|
BDBM50271556 C[N+](C)(C)c1cccc(c1)C(=O)C(F)(F)F
BDBM50117594 COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(-.09,-3.27,;1.22,-2.5,;2.55,-3.27,;3.88,-2.5,;5.21,-3.27,;6.68,-2.78,;7.59,-4.04,;6.68,-5.3,;5.21,-4.81,;3.88,-5.58,;2.55,-4.81,;1.22,-5.58,;-.09,-4.81,;9.13,-4.04,;9.9,-5.37,;9.9,-2.71,;11.44,-2.71,;12.21,-1.38,;13.74,-1.22,;14.37,.18,;13.47,1.42,;12.28,2.4,;14.1,2.84,;15.64,2.99,;16.27,4.39,;17.79,4.54,;18.7,3.29,;18.07,1.88,;16.53,1.74,;11.95,1.28,;11.3,-.12,)|
BDBM50117595 COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccccc2)cc1
BDBM50117596 COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](CC2CC2)cc1
BDBM50117597 COC(=O)C[N+]1(C)CCC(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 |(15.88,3.41,;15.42,1.94,;13.92,1.58,;12.87,2.71,;13.48,.11,;11.98,-.24,;11,.95,;12.87,-1.5,;12.24,-2.9,;10.71,-3.05,;9.95,-4.38,;8.4,-4.38,;7.63,-5.73,;8.4,-7.06,;6.09,-5.73,;5.18,-4.47,;3.69,-4.96,;2.36,-4.19,;1.04,-4.96,;-.3,-4.19,;-1.63,-4.96,;1.04,-6.5,;-.3,-7.27,;-1.63,-6.5,;2.37,-7.27,;3.69,-6.51,;5.18,-6.99,;9.8,-1.81,;10.44,-.4,)|
BDBM50117606 COc1cc2cc(sc2cc1OC)C(=O)CCCCC1CC[N+](C)(Cc2ccccc2)CC1 |(-.74,-2.58,;.58,-1.81,;1.92,-2.58,;3.23,-1.81,;4.56,-2.58,;6.05,-2.09,;6.96,-3.35,;6.05,-4.61,;4.56,-4.12,;3.25,-4.89,;1.92,-4.12,;.58,-4.89,;-.74,-4.12,;8.5,-3.35,;9.27,-4.68,;9.27,-2.01,;10.82,-2.01,;11.59,-.68,;13.13,-.68,;13.88,.67,;15.4,.9,;15.95,2.34,;14.98,3.54,;13.74,4.44,;15.54,4.98,;17.06,5.22,;17.6,6.65,;19.12,6.91,;20.1,5.7,;19.54,4.27,;18.02,4.02,;13.46,3.29,;12.9,1.85,)|
BDBM50117607 COc1cc2cc(sc2cc1OC)C(=O)CC1=CC[N+](C)(Cc2ccccc2)CC1 |t:18|
BDBM50117609 COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(CC2CCCCO2)CC1 |(-1.63,-4.95,;-.3,-4.18,;1.03,-4.95,;2.36,-4.18,;3.69,-4.95,;5.16,-4.46,;6.07,-5.72,;5.16,-6.98,;3.69,-6.49,;2.36,-7.26,;1.03,-6.49,;-.3,-7.26,;-1.63,-6.49,;7.61,-5.72,;8.38,-7.05,;8.38,-4.37,;9.92,-4.37,;10.69,-3.04,;9.78,-1.8,;10.41,-.4,;11.95,-.24,;10.97,.95,;13.45,.11,;13.89,1.58,;12.84,2.7,;13.3,4.18,;14.8,4.53,;15.85,3.4,;15.41,1.93,;12.84,-1.49,;12.21,-2.89,)|
BDBM50117610 COc1cc2cc(sc2cc1OC)C(O)C1CC[N+](C)(Cc2ccccc2)CC1 |(3.16,-1.52,;4.48,-.75,;5.81,-1.52,;7.12,-.75,;8.45,-1.52,;9.94,-1.03,;10.85,-2.29,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,;12.39,-2.29,;13.16,-3.62,;13.14,-.96,;14.68,-.79,;15.29,.62,;14.38,1.86,;13.17,2.82,;14.99,3.26,;16.53,3.43,;17.44,2.19,;18.97,2.37,;19.58,3.78,;18.65,5.02,;17.13,4.85,;12.84,1.68,;12.23,.27,)|
BDBM50237933 COc1ccc2CN(CC(C)=C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:15|
BDBM50237934 COc1ccc2CN(CC=C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:14|
BDBM50245054 CN1CCN(CC1)c1cc(=O)oc2ccc(C)cc12
BDBM50225209 CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM50308513 CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1 |r,t:12|
BDBM50308514 COC(=O)C1=C(C)O[P@](=O)(CC[C@H]1COCc1ccccc1)OC |r,c:4|
BDBM50308515 COC(=O)C1=C(C)OP(=O)(CCC1)OC |c:4|
BDBM50308516 COP1(=O)CCCC(CO)=C(C)O1 |t:9|
BDBM50308517 COC(=O)C1=C(C)OP(O)(OC)C=C1 |c:4,12|
BDBM50308518 COP(=O)(OC)O\C(C)=C1\CCOC1=O
BDBM50308519 COP(=O)(OC)O\C(C)=C1/CCOC1=O
BDBM50308520 CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12|
BDBM50308275 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccccc3C2=O)cc1
BDBM50308276 CCN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1
BDBM50308277 COc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
BDBM50308278 COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50310277 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOn1nnc2ccccc12
BDBM50310286 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCCCOn1nnc2ccccc12
BDBM50310287 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCOc1cccc2[nH]c3ccccc3c12
BDBM50310288 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCCOc1ccccc1
BDBM50245883 CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
BDBM50287623 NC12CC(=CC(Cc3[nH]c(=O)ccc13)\C2=C/C(F)(F)F)C(F)(F)F |c:3,TLB:8:7:14:3.2.4,THB:12:13:14:3.2.4|
BDBM50287624 CC1=CC2Cc3[nH]c(=O)ccc3C(N)(C1)\C2=C\C(F)(F)F |t:1,TLB:6:5:15:2.14.1,THB:10:11:15:2.14.1|
BDBM50287625 C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(=C2)C(F)(F)F |c:17,TLB:10:11:2:15.14.16,THB:6:5:2:15.14.16|
BDBM50308279 COc1cc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2cc1OC
BDBM50308280 CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1
BDBM50308264 CCN(CC)CCCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
BDBM50308265 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCCCC4)cc3C2=O)cc1
BDBM50308266 CCN(CC)CCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
BDBM50308267 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCN4CCCCC4)cc3C2=O)cc1
BDBM50308268 CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCN4CCOCC4)cc3C2=O)cc1
BDBM50308269 CCN(CC)CCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
BDBM50245886 OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50308425 NC(=O)N1c2ccccc2Sc2ccccc12
BDBM50308426 CNC(=O)N1c2ccccc2Sc2ccccc12
BDBM50308427 CCNC(=O)N1c2ccccc2Sc2ccccc12
BDBM50308429 CC(C)NC(=O)N1c2ccccc2Sc2ccccc12
BDBM50159606 Cc1ccc2oc(=O)cc(N3CCOCC3)c2c1
BDBM50245885 O=Cc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 |r|
BDBM50227316 CN(C)CCOC(=O)Nc1ccnc(Cl)c1
BDBM50227317 CN(C)CCOC(=O)Nc1ccncc1Br
BDBM50227318 C[N+](C)(C)CCOC(=O)Nc1ccncc1Br
BDBM50227319 CN(C)CCOC(=O)Nc1ccncc1
BDBM50028409 C[N+](C)(C)c1cccc(OP2(=O)OCCCO2)c1
BDBM50267221 COc1ccc2CN(CCCCCCOC3CCN(Cc4ccccc4)CC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33|
BDBM50117615 COC(CC(=O)c1cc2cc(OC)c(OC)cc2s1)C1CC[N+](C)(Cc2ccccc2)CC1 |(11.32,-7.89,;12.1,-6.55,;11.32,-5.22,;9.78,-5.22,;9.01,-6.55,;9.78,-7.89,;7.47,-6.55,;6.55,-5.29,;5.07,-5.78,;3.74,-5.01,;2.42,-5.78,;1.08,-5.01,;-.23,-5.78,;2.42,-7.33,;1.08,-8.1,;-.23,-7.33,;3.75,-8.1,;5.07,-7.33,;6.55,-7.82,;12.1,-3.89,;13.63,-3.98,;14.5,-2.72,;13.82,-1.32,;12.81,-.17,;14.68,-.05,;16.23,-.15,;17.07,1.11,;18.61,1.02,;19.29,-.38,;18.42,-1.64,;16.89,-1.55,;12.28,-1.22,;11.41,-2.51,)|
BDBM50117616 COc1cc2cc(sc2cc1OC)C(=O)C=C1CC[N+](C)(Cc2ccccc2)CC1 |(3.16,-1.52,;4.48,-.75,;5.81,-1.52,;7.12,-.75,;8.45,-1.52,;9.94,-1.03,;10.85,-2.29,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,;12.39,-2.29,;13.16,-3.62,;13.16,-.96,;14.7,-.96,;15.1,-2.43,;16.59,-2.82,;17.67,-1.73,;18.43,-.38,;19.16,-2.11,;19.58,-3.59,;21.05,-3.97,;21.47,-5.44,;20.4,-6.56,;18.91,-6.17,;18.49,-4.69,;17.25,-.24,;15.76,.14,)|
BDBM50117617 COC(=O)c1ccc(C[n+]2ccc(CCC(=O)c3cc4cc(OC)c(OC)cc4s3)cc2)cc1
BDBM50117618 CCOCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1
BDBM50117611 COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(CC(=O)OC(C)(C)C)CC1 |(-4.12,-6.7,;-2.8,-5.93,;-1.47,-6.7,;-.16,-5.93,;1.17,-6.7,;2.66,-6.21,;3.57,-7.47,;2.66,-8.73,;1.17,-8.24,;-.14,-9.01,;-1.47,-8.24,;-2.8,-9.01,;-4.12,-8.24,;5.11,-7.47,;5.88,-8.8,;5.88,-6.14,;7.42,-6.14,;8.19,-4.81,;7.28,-3.55,;7.92,-2.15,;9.45,-2.01,;8.47,-.82,;10.95,-1.64,;11.39,-.17,;10.34,.95,;12.89,.18,;13.33,1.65,;11.84,2.05,;13.73,3.14,;14.82,1.25,;10.34,-3.25,;9.71,-4.65,)|
BDBM50117612 COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccc(F)cc2)cc1
BDBM50117599 COc1cc2cc(sc2cc1OC)C(=O)CC(O)C1CC[N+](C)(Cc2ccccc2)CC1 |(3.16,-1.52,;4.48,-.75,;5.81,-1.52,;7.12,-.75,;8.45,-1.52,;9.94,-1.03,;10.85,-2.29,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,;12.39,-2.29,;13.16,-3.62,;13.16,-.96,;14.7,-.96,;15.47,-2.29,;15.47,.37,;16.99,.27,;17.86,1.54,;17.18,2.93,;16.18,4.08,;18.04,4.2,;19.58,4.1,;20.25,2.71,;21.78,2.61,;22.64,3.89,;21.96,5.27,;20.42,5.37,;15.64,3.03,;14.78,1.75,)|
BDBM50074265 C(CN1CCCCC1)Nc1ccc(nn1)-c1ccccc1
BDBM50074266 C(CN1CCCCC1)NC1=NCC(=NN1)c1ccccc1 |c:13,t:10|
BDBM50048592 CCCN(c1ccncc1)n1cccn1
BDBM50048593 Cc1cn(Nc2ccncc2)c2ccccc12
BDBM50048594 N(c1ccncc1)n1ncc2ccccc12
BDBM50048595 Clc1ccc2n(Nc3ccncc3)ccc2c1
BDBM50048576 CCCCN(c1ccncc1)n1ccc2ccccc12
BDBM50048577 CCCN(c1ccncc1)n1ccc2cc(Cl)ccc12
BDBM50048578 CN(c1ccncc1)n1ccc2cc(Br)ccc12
BDBM50048579 N(c1ccncc1)n1c2ccccc2c2ccccc12
BDBM50048580 CCCN(c1ccncc1)n1ccc2ccccc12
BDBM50048581 CN(c1ccncc1)n1ccc2cc(ccc12)[N+]([O-])=O
BDBM50049391 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
BDBM50049394 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
BDBM50195731 CN(CCCCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195732 CN(CCCCCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195733 COc1ccc2c(c1)oc1cc(OCCCCCCCN(C)Cc3ccccc3)ccc1c2=O
BDBM50195734 CN(CCCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195735 CN(CCCCCCCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195736 COc1ccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)cc1
BDBM50195737 COc1ccccc1CN(C)CCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O
BDBM50195738 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195739 CN(CCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195740 CN(CCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195741 COc1cc2oc3cc(OCCCCCCCN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC
BDBM50195717 CN(CCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccc(Cl)cc1
BDBM50195718 CN(CCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1C
BDBM50195719 CN(CCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1[N+]([O-])=O
BDBM50195720 CN(CCCCCCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195721 CN(CCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1Cl
BDBM50248712 CCN(C)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50213090 C[C@@H]1C[C@H]2CC(=O)[C@H]3C[C@H](O)CN4CC[C@@H](O)C23C4=C1 |w:17.19,t:21,TLB:16:15:18:7.8.9.11,10:9:18:14.15.13,THB:5:7:18:14.15.13|
BDBM50213091 CC1=C[C@H]2[C@H](O)C(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1 |t:1,THB:0:1:16:6.4.8|
BDBM50154768 COCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1
BDBM50154769 COc1cc2cc(sc2cc1OC)C(=O)C1CCC[N+](C)(CCOc2ccccc2)CC1
BDBM50154770 COc1cc2cc(sc2cc1OC)C1CC[N+](C)(Cc2ccccc2)CC1O
BDBM50154771 COc1cc2CC(Sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccccc2)cc1
BDBM50154772 COc1cc2CC(Sc2cc1OC)C(=O)CCc1cc[n+](C)cc1
BDBM50154773 COc1cc2cc(sc2cc1OC)C(=O)CC1CCC(O)C[N+](C)(Cc2ccccc2)CC1
BDBM50154774 COc1cc2CC(Sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccc(F)cc2)cc1
BDBM50154775 COc1cc2cc(sc2cc1OC)C(=O)C1CC[N+](C)(Cc2ccccc2)CCC1O
BDBM50154777 COCC[N+]1(C)CCCC(CC1)C(=O)c1cc2cc(OC)c(OC)cc2s1
BDBM50154778 COc1cc2cc(sc2cc1OC)C(=O)C1CCC[N+](C)(CC(=O)OC(C)(C)C)CC1
BDBM50154779 COc1cc2CC(Sc2cc1OC)C(=O)CCc1cc[n+](CC2CCC2)cc1
BDBM50248713 CCN(C)Cc1cccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)c1
BDBM50248714 CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1
BDBM50248715 CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50271325 CC(=O)N(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM50039213 Clc1cccc(CN2CCC(CCC(=O)c3ccc4NCCCc4c3)CC2)c1
BDBM50039214 COc1ccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)cc1
BDBM50039215 Clc1ccccc1CN1CCC(CCC(=O)c2ccc3NCCc3c2)CC1
BDBM50039216 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCCCNc2c1
BDBM50039217 COc1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1
BDBM50039218 COc1ccccc1CN1CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1
BDBM50223709 C[C@H]1C[C@@H]2N(C)CCCC2=C(C[C@H]2CCC[C@H](CC3=C4CCCN([C@H]4C[C@@H](C)C3)C(C)=O)N2)C1 |c:19,t:10|
BDBM50223710 C[C@@H]1C[C@@H]2N(C)CCCC2=C(C[C@H]2CCC[C@H](CC3=C4CCCN([C@H]4C[C@@H](C)C3)C(C)=O)N2)C1 |c:19,t:10|
BDBM50039222 CCCCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50039223 Cc1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1
BDBM50039224 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2NCCCCc2c1
BDBM50048584 CCCN(c1ccncc1)n1cc(C=O)c2ccccc12
BDBM50048585 Brc1ccc2n(Nc3ccncc3)ccc2c1
BDBM50048586 COc1ccc2n(Nc3ccncc3)ccc2c1
BDBM50195722 CN(CCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195723 CCN(CCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1OC
BDBM50195724 CN(CCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1ccccc1
BDBM50195725 COc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1OC
BDBM50195726 COc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM50195727 COc1ccccc1CN(C)CCCOc1ccc2c(c1)oc1ccccc1c2=O
BDBM50195728 CN(CCCCCCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(Cl)c1
BDBM50195729 COc1ccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c(OC)c1OC
BDBM50195730 COc1ccc(OC)c(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
BDBM50154795 CN1C(=O)Cc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc12
BDBM50154796 COc1cc2cc(sc2cc1OC)C(=O)CC1CCCC[N+](C)(Cc2ccccc2)CC1
BDBM50154797 COc1cc2cc(sc2cc1OC)C(=O)C1CCC[N+](C)(Cc2ccccc2)CC1
BDBM50154792 COC(=O)c1ccc(C[n+]2ccc(CCC(=O)C3Cc4cc(OC)c(OC)cc4S3)cc2)cc1
BDBM50079862 CCCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:3,TLB:19:9:3.4.8:6,THB:2:3:9.10.11:6|
BDBM50079863 CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:2,TLB:18:8:2.3.7:5,THB:1:2:8.9.10:5|
BDBM50079864 CC(C)C1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:3,TLB:19:9:3.4.8:6,THB:1:3:9.10.11:6|
BDBM50079865 CC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:1,TLB:17:7:1.2.6:4,THB:0:1:7.8.9:4|
BDBM50079866 CCC1=CC2CC(C1)c1c(C2)nc2cc(C)ccc2c1N |t:2,TLB:19:8:2.3.7:5,THB:1:2:8.9.10:5|
BDBM50308281 CCN(CC)CCCCCOc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50308282 COc1cc2CC\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2cc1OC
BDBM50308283 COc1ccc2CC\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
BDBM50310289 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1ccccc1
BDBM50310290 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCOn1nnc2ccccc12
BDBM50310291 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOn1nnc2ccccc12
BDBM50039202 Clc1cccc(CN2CCC(CCC(=O)c3ccc4N(Cc5ccccc5)CCCc4c3)CC2)c1
BDBM50039203 Fc1ccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)cc1
BDBM50039204 Clc1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1
BDBM50039205 Fc1ccccc1CN1CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1
BDBM50039206 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCNc2c1
BDBM50039207 Fc1ccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)cc1
BDBM50039208 COc1ccccc1CN1CCC(CCC(=O)c2ccc3NCCc3c2)CC1
BDBM50039209 COc1ccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)cc1
BDBM50039210 CN1CCCc2cc(ccc12)C(=O)CCC1CCN(Cc2cccc(Cl)c2)CC1
BDBM50039212 CN1CCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50184429 COc1ccc2Cc3ccccc3CCN(C)CCc2c1
BDBM50200344 CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2ccccc2c1N |t:2|
BDBM50200347 CC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2ccccc2c1N |t:1|
BDBM50308262 COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50308263 CCN(CC)CCCCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
BDBM50093799 C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5|
BDBM50039201 Clc1ccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)cc1
BDBM50154794 COc1cc2onc(CCC3CCN(Cc4ccccc4)CC3)c2cc1C
BDBM50079861 CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4|
BDBM50079867 CC1=CC2CC(C1)c1c(C2)nc2cccc(F)c2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4|
BDBM50079868 Nc1c2C3CC(Cc2nc2ccccc12)C=C(C3)c1ccccc1 |c:18,TLB:1:2:16.15.17:4,THB:18:16:2.7.6:4|
BDBM50079869 CCC1=CC2CC(C1)c1c(C2)nc2cccc(C)c2c1N |t:2,TLB:19:8:2.3.7:5,THB:1:2:8.9.10:5|
BDBM50079870 CC(C)(C)C1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:4,TLB:20:10:4.5.9:7,THB:1:4:10.11.12:7|
BDBM50308337 O=c1cc2CCC[n+]3ccc4c5ccccc5n1c4c23
BDBM50308338 Oc1ccc2c(c1)c1cc[n+]3CCCc4cc(=O)n2c1c34
BDBM50308410 CN(C)C(=O)N1c2ccccc2Sc2ccccc12
BDBM50308270 CCN(CC)CCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
BDBM50308271 CCN(CC)CCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
BDBM50308272 CCN(CC)CCCCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50308273 CCN(CC)CCCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50308274 CCN(CC)CCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
BDBM50308417 CCN(CC)CCNC(=O)N1c2ccccc2Sc2ccccc12
BDBM50308418 CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc12)C(C)C
BDBM50308419 O=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc12
BDBM50308420 O=C(NCCN1CCCCC1)N1c2ccccc2Sc2ccccc12
BDBM50163744 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
BDBM50113645 CC1=C2C3Cc4[nH]c(=O)ccc4C2(CC(C)=C3)NC1 |c:1,17,TLB:10:11:2:16.14.13,THB:6:5:2:16.14.13|
BDBM50113646 CCC1=C2C3Cc4[nH]c(=O)ccc4C2(CC(C)=C3)NC1 |c:2,18,TLB:11:12:3:17.15.14,THB:7:6:3:17.15.14|
BDBM50113648 CC1=CC2Cc3[nH]c(=O)ccc3C3(C1)NCCC(C)=C23 |t:1,20,TLB:6:5:19:2.1.13,THB:10:11:19:2.1.13|
BDBM50117619 COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(CC#N)CC1 |(-4.13,-6.71,;-2.8,-5.94,;-1.47,-6.71,;-.16,-5.94,;1.18,-6.71,;2.66,-6.22,;3.57,-7.48,;2.66,-8.74,;1.18,-8.25,;-.14,-9.02,;-1.47,-8.25,;-2.8,-9.02,;-4.13,-8.25,;5.12,-7.48,;5.89,-8.81,;5.89,-6.14,;7.43,-6.14,;8.2,-4.81,;7.29,-3.56,;7.93,-2.16,;9.46,-2.01,;8.48,-.82,;10.96,-1.64,;11.41,-.17,;11.85,1.3,;10.35,-3.25,;9.72,-4.66,)|
BDBM50117620 COCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1
BDBM50117621 COc1cc2cc(CC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC |(3.16,-1.52,;4.48,-.75,;5.81,-1.52,;7.12,-.75,;8.45,-1.52,;9.94,-1.03,;10.85,-2.29,;12.39,-2.29,;13.14,-.96,;14.68,-.79,;15.29,.62,;14.38,1.86,;13.17,2.82,;14.99,3.26,;16.53,3.43,;17.13,4.85,;18.65,5.02,;19.58,3.78,;18.97,2.37,;17.44,2.19,;12.84,1.68,;12.23,.27,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,)|
BDBM50117622 COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(Cc2ccc(o2)[N+]([O-])=O)CC1 |(-1.63,-4.96,;-.3,-4.19,;1.04,-4.96,;2.36,-4.19,;3.69,-4.96,;5.18,-4.47,;6.09,-5.73,;5.18,-6.99,;3.69,-6.51,;2.37,-7.27,;1.04,-6.5,;-.3,-7.27,;-1.63,-6.5,;7.63,-5.73,;8.4,-7.06,;8.4,-4.38,;9.95,-4.38,;10.71,-3.05,;9.8,-1.81,;10.44,-.4,;11.98,-.24,;11,.95,;13.48,.11,;13.92,1.58,;12.98,2.81,;13.87,4.08,;15.35,3.64,;15.39,2.1,;16.56,4.58,;17.99,3.97,;16.37,6.09,;12.87,-1.5,;12.24,-2.9,)|
BDBM50117623 COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](CC2CCC2)cc1
BDBM50117624 CCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1
BDBM50262927 C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc(c2)[N+](C)(C)Cc2ccccc2)c1
BDBM50262928 C[N+](C)(C)c1cccc(OCCCCOc2cccc(c2)[N+](C)(C)C)c1
BDBM50261233 CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
BDBM50276558 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O |r|
BDBM50179314 CC(C)CN1CCc2c(C1)sc1nc(oc(=O)c21)N(C)C
BDBM50179315 CCN(CC)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
BDBM50179316 CN(C)c1nc2sc3COCCc3c2c(=O)o1
BDBM50179317 O=c1oc(nc2sc3CN(Cc4ccccc4)CCc3c12)N1CCN(Cc2ccccc2)CC1
BDBM50179318 CN(C)c1nc2sc3CSCCc3c2c(=O)o1
BDBM50307921 Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
BDBM50307923 O=NCC1CCN(CCCc2ccccc2)CC1
BDBM50307924 Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(3.18,-22.22,;1.84,-22.99,;1.84,-24.53,;.51,-25.3,;-.83,-24.53,;-.83,-22.99,;.51,-22.22,;-2.16,-25.3,;-3.49,-24.53,;-4.83,-25.3,;-6.16,-24.53,;-6.16,-23,;-4.83,-22.23,;-7.49,-22.23,;-8.83,-23,;-8.82,-24.55,;-7.48,-25.31,;-7.48,-26.85,)|
BDBM50307925 Clc1cccc(Cl)c1\C=N\N=c1ccn(Cc2ccccc2)cc1 |(9.22,-23.07,;7.88,-23.84,;6.55,-23.07,;5.21,-23.84,;5.22,-25.39,;6.56,-26.15,;6.57,-27.69,;7.88,-25.38,;9.22,-26.15,;10.55,-25.37,;11.89,-26.14,;13.22,-25.37,;14.55,-26.14,;15.88,-25.37,;15.89,-23.83,;17.22,-23.06,;18.56,-23.84,;18.54,-25.38,;19.87,-26.15,;21.21,-25.38,;21.21,-23.83,;19.88,-23.07,;14.55,-23.06,;13.21,-23.83,)|
BDBM50307926 Clc1cccc(Cl)c1\C=N\N=c1ccn(CCc2ccccc2)cc1 |(-4.88,-30.85,;-6.21,-31.62,;-7.55,-30.85,;-8.88,-31.62,;-8.87,-33.17,;-7.54,-33.93,;-7.53,-35.47,;-6.22,-33.16,;-4.88,-33.92,;-3.55,-33.15,;-2.21,-33.92,;-.88,-33.15,;.45,-33.92,;1.78,-33.15,;1.79,-31.61,;3.12,-30.84,;4.45,-31.62,;5.79,-30.85,;7.11,-31.63,;8.45,-30.86,;8.45,-29.32,;7.11,-28.55,;5.78,-29.32,;.45,-30.84,;-.89,-31.61,)|
BDBM50261234 CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc(C)c1)Cc1ccccc1
BDBM50261235 CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1
BDBM50261236 COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
BDBM50261238 COc1ccc(cc1OC)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
BDBM50292332 COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
BDBM50267189 COc1ccc2CN(CCCCCCOc3cccc(c3)C(C)N3CCOCC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34|
BDBM50267190 COc1ccc2CN(CCCCOc3ccc(cc3)C(=O)N3CCCC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31|
BDBM50267104 COc1ccc2CN(CCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:29|
BDBM50248780 COc1cc2C\C(=C/c3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
BDBM50248781 COc1cc2C\C(=C/c3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
BDBM50248782 COc1cc2O\C(=C/c3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
BDBM50248783 COc1cc2CC(Cc3cccc(CN(C)C)c3)C(=O)c2cc1OC
BDBM50248784 COc1cc2CC(Cc3ccc(CN(C)C)cc3)C(=O)c2cc1OC
BDBM50166995 Cc1c(Cl)nc2ccccc2c1C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
BDBM50209401 FC(F)(F)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)C(F)(F)F
BDBM50209402 Fc1cccc(C(=O)C(=O)c2cccc(F)c2F)c1F
BDBM50209403 OC(C(=O)c1ccccc1F)c1ccccc1F
BDBM50209404 OC(C(=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
BDBM50209405 FC(F)(F)c1cccc(c1)C(=O)C(=O)c1cccc(c1)C(F)(F)F
BDBM50272518 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C)N(C)C |r|
BDBM50211253 C[N+](C)(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
BDBM50211254 O=C(CN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
BDBM50273222 CCN(C)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50273224 CCN(CC)CCC(=O)c1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
BDBM50135652 C(NC1C2N(Cc3ccc4OCOc4c3)C3C(N(Cc4ccc5OCOc5c4)C4(CC4N2Cc2ccc4OCOc4c2)N3Cc2ccc3OCOc3c2)N1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1 |TLB:32:31:4:53.16.2,54:53:4:28.42.30.31,29:28:4:53.16.2,43:42:4:53.16.2,THB:17:28:4:53.16.2,17:16:4:28.42.30.31,29:30:4:53.16.2,1:2:4:28.42.30.31,43:42:17.16:30.4.3.31|
BDBM50135653 Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl |TLB:35:34:11:52.21.9,32:31:11:52.21.9,44:43:11:52.21.9,53:52:11:31.43.33.34,THB:8:9:11:31.43.33.34,22:31:11:52.21.9,22:21:11:31.43.33.34,32:33:11:52.21.9,44:43:22.21:11.33.34.10|
BDBM50135654 COc1cc(CNC2C3N(Cc4cc(OC)cc(OC)c4)C4C(N(Cc5cc(OC)cc(OC)c5)C5(CC5N3Cc3cc(OC)cc(OC)c3)N4Cc3cc(OC)cc(OC)c3)N2Cc2cc(OC)cc(OC)c2)cc(OC)c1 |TLB:39:38:9:62.22.7,63:62:9:35.50.37.38,36:35:9:62.22.7,51:50:9:62.22.7,THB:23:35:9:62.22.7,23:22:9:35.50.37.38,36:37:9:62.22.7,6:7:9:35.50.37.38,51:50:23.22:37.9.8.38|
BDBM50154780 CCOCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1
BDBM50154781 O=C(CCc1cc[n+](Cc2ccccc2)cc1)c1ccc2OCOc2c1
BDBM50154783 COc1cc2cc(sc2cc1OC)C(=O)C1=CC[N+](C)(Cc2ccccc2)CC1 |t:17|
BDBM50154785 [CH2+]n1nc(CCC2CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50154786 COc1cc2CC(Sc2cc1OC)C(=O)CC1(O)CC[N+](C)(Cc2ccccc2)CC1 |(-7.92,2.81,;-6.38,2.86,;-5.57,1.53,;-4.03,1.58,;-3.23,.27,;-1.72,-.01,;-1.51,-1.54,;-2.91,-2.2,;-3.96,-1.1,;-5.5,-1.14,;-6.31,.16,;-7.85,.13,;-8.57,-1.24,;-.16,-2.27,;-.11,-3.8,;1.15,-1.45,;2.52,-2.19,;2.57,-3.73,;2.57,-.65,;3.94,.09,;5.23,-.75,;6.02,-2.08,;6,.6,;5.21,1.93,;3.67,1.9,;2.88,3.23,;3.65,4.59,;5.18,4.59,;5.98,3.29,;5.18,-2.29,;3.81,-2.99,)|
BDBM50154787 COc1cc2cc(sc2cc1OC)C(=O)C1CCC[N+](C)(CC#N)CC1
BDBM50154788 COc1cc2CC(Sc2cc1OC)C(=O)CC1CC[N+](C)(Cc2ccccc2)CC=C1 |c:32|
BDBM50154789 COc1cc2cc(sc2cc1OC)C(=O)C1CCC[N+](C)(CC2CCCCO2)CC1
BDBM50154790 COc1cc2CC(Sc2cc1OC)C(=O)CCc1cc[n+](CC=C)cc1
BDBM50154791 CC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1
BDBM50130244 COc1ccc2[nH]c3cnccc3c2c1
BDBM50135655 C(NC1C2N(Cc3ccccc3)C3C(N(Cc4ccccc4)C4(CC4N2Cc2ccccc2)N3Cc2ccccc2)N1Cc1ccccc1)c1ccccc1 |TLB:26:25:4:41.13.2,42:41:4:22.33.24.25,23:22:4:41.13.2,34:33:4:41.13.2,THB:14:22:4:41.13.2,14:13:4:22.33.24.25,23:24:4:41.13.2,1:2:4:22.33.24.25,34:33:14.13:24.4.3.25|
BDBM50156693 COc1cc2ccc(=O)oc2cc1O
BDBM50171925 Brc1csc(c1)C(=O)C(=O)c1cc(Br)cs1
BDBM50171926 O=C(C(=O)c1ccccn1)c1ccccn1
BDBM50174558 Oc1ccc2ccc(=O)oc2c1
BDBM50244756 Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
BDBM50244757 Cc1ccc2oc(=O)cc(N3CCN(CC3)C(=O)c3ccccc3)c2c1
BDBM50244758 Cc1ccc2oc(=O)cc(N3CCN(CC3)C(=O)c3ccc(Cl)cc3)c2c1
BDBM50244759 Cc1ccc2oc(=O)cc(N3CCN(CC3)C(=O)c3ccccc3Cl)c2c1
BDBM50240393 COc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50159747 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)NCCC[C@H]23 |wU:3.3,wD:12.15,18.19,t:1,TLB:6:5:18:2.1.13,(.84,4.16,;-.37,3.17,;-1.74,2.22,;-1.96,.87,;-.21,.47,;.96,.92,;2.5,.89,;3.22,-.43,;4.79,-.48,;2.4,-1.74,;.86,-1.71,;.13,-.38,;-1.34,-.01,;.36,2.17,;-1.74,-1.17,;-1.33,-2.57,;-2.63,-3.42,;-2.17,-2.28,;-2.62,-.57,)|
BDBM50108420 CC(=O)Oc1ccc(cc1)[N+](C)(C)Cc1ccccc1
BDBM50108421 COc1ccc(cc1OC)C(=O)COc1cccc(c1)[N+](C)(C)C
BDBM50108422 CC(=C)C[N+](C)(C)c1ccccc1O
BDBM50108423 COc1cccc(C[N+](C)(C)Cc2ccccc2)c1
BDBM50008535 COc1cc2CC(C)C(=O)c2c(OC)c1OC
BDBM50008536 COc1ccc(C)cc1OC
BDBM50008537 COc1cccc(C)c1
BDBM50008538 COc1cc(C)cc(OC)c1OC
BDBM50008539 COc1cc2C(=O)C(C)Cc2cc1O
BDBM50008540 COc1ccc2CC(C)C(=O)c2c1OC
BDBM50008541 Cc1ccccc1F
BDBM50037169 COc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCCC3)CC2)c1
BDBM50037170 CCN(CCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
BDBM50037171 CN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50037172 COc1ccc(cc1OC)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50037181 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccc(OC)cc1
BDBM50037182 CN(CCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
BDBM50037183 CCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50000092 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
BDBM50154798 COC1CC[N+](C)(Cc2ccccc2)CCC1C(=O)c1cc2cc(OC)c(OC)cc2s1
BDBM50154799 COc1cc2CC(Sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccsc2)cc1
BDBM50154800 CCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1
BDBM50154801 COc1cc2CC(Sc2cc1OC)C(=O)CC(O)C1CC[N+](C)(Cc2ccccc2)CC1 |(-8.57,2.53,;-7.02,2.58,;-6.23,1.25,;-4.69,1.28,;-3.89,-.02,;-2.36,-.29,;-2.17,-1.82,;-3.56,-2.5,;-4.62,-1.38,;-6.16,-1.41,;-6.97,-.1,;-8.51,-.15,;-9.25,-1.52,;-.81,-2.55,;-.75,-4.09,;.5,-1.75,;1.87,-2.46,;1.91,-4,;3.17,-1.66,;3.24,-.12,;4.59,.6,;5.89,-.22,;6.68,-1.56,;6.65,1.12,;5.86,2.46,;6.63,3.79,;5.85,5.12,;4.29,5.12,;3.52,3.77,;4.32,2.43,;5.83,-1.76,;4.48,-2.46,)|
BDBM50154802 COc1cc2C=C(C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC |t:5,(-7.17,4.64,;-5.63,4.61,;-4.89,3.24,;-3.35,3.21,;-2.63,1.86,;-1.12,1.49,;-.99,-.05,;.33,-.84,;1.59,.04,;2.97,-.65,;3.08,-2.19,;3.61,-3.61,;4.48,-2.83,;5.75,-1.94,;7.14,-2.57,;8.39,-1.7,;8.27,-.14,;6.86,.51,;5.6,-.4,;1.79,-3.03,;.43,-2.36,;-2.42,-.64,;-2.79,-2.13,;-3.44,.54,;-4.96,.57,;-5.71,1.93,;-7.26,1.97,;-8.04,.65,)|
BDBM50154803 COc1cc2cc(sc2cc1OC)C1=CC[N+](C)(Cc2ccccc2)CC1 |t:15|
BDBM50005770 CCN1CC[C@]2(C)C1Cc1ccc(OC(=O)Nc3ccccc3)cc21
BDBM50005771 CCCCCCCNC(=O)Oc1ccc2CC3[C@@H](CCN3CCC)c2c1
BDBM50005772 CCCCCCCNC(=O)Oc1ccc2CC3[C@@H](CCN3CC)c2c1
BDBM50005773 CCCNC(=O)Oc1ccc2CC3N(CC)CC[C@@]3(C)c2c1
BDBM50005774 CCCNC(=O)Oc1ccc2CC3[C@@H](CCN3CC)c2c1
BDBM50106449 Clc1ccc(cc1)C(=O)n1cc(C=C2CN(Cc3ccccc3)CCC2=O)c2ccccc12 |w:12.12|
BDBM50106450 O=C1CCN(Cc2ccccc2)CC1=Cc1c[nH]c2ccc(OCc3ccccc3)cc12 |w:14.16|
BDBM50106451 [O-][N+](=O)c1ccc(cc1)C(=O)n1cc(C=C2CN(Cc3ccccc3)CCC2=O)c2ccccc12 |w:14.14|
BDBM50250196 COc1ccc(cc1OC)C(=O)c1ccc(CN(C)CC#C)cc1
BDBM50250444 COc1cc2c(ccc3c4CCN(CC=C)Cc4c(O)c(OC)c23)cc1O
BDBM50250455 CCC[N+]1(C)CCc2c(C1)c(O)c(OC)c1c2ccc2cc(O)c(OC)cc12
BDBM50161787 Cc1ccccc1NC(=O)Oc1ccc2OC3OCCC3(C)c2c1
BDBM50161789 CCNC(=O)Oc1ccc2OC3OCCC3(C)c2c1
BDBM50161790 CCNC(=O)Oc1ccc2OC3CC(C)(CO3)c2c1
BDBM50161791 Cc1ccccc1NC(=O)Oc1ccc2OC3CC(C)(CO3)c2c1
BDBM50276557 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50276616 C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 |r|
BDBM50106447 CC(=O)n1cc(C=C2CN(Cc3ccccc3)CCC2=O)c2ccccc12 |w:6.5|
BDBM50106448 Cc1[nH]c(C)c(C=C2CN(Cc3ccccc3)CCC2=O)c1C=O |w:6.5|
BDBM50106452 O=C(c1ccccc1)n1cc(C=C2CN(Cc3ccccc3)CCC2=O)c2ccccc12 |w:11.11|
BDBM50106453 O=C(c1ccccc1)n1ccc(C=C2CN(Cc3ccccc3)CCC2=O)c1 |w:12.12|
BDBM50106454 O=C1CCN(Cc2ccccc2)CC1=Cc1ccc[nH]1 |w:14.16|
BDBM50252741 [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)Nc1ccc(Cl)c(Cl)c1 |r|
BDBM50271518 Cc1cc(CCNc2c3CCCCc3nc3ccccc23)cc(CCNc2c3CCCCc3nc3ccccc23)c1
BDBM50037150 CN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50037151 CCN(CCCCCCOc1ccc(OC)c(OC)c1)Cc1ccccc1OC
BDBM50271519 C(Cc1cocc1CCNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
BDBM50041234 COc1c2occc2cc2ccc(=O)oc12
BDBM50171927 O=C(C(=O)c1ccco1)c1ccco1
BDBM50171928 Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1
BDBM50128267 CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 |r|
BDBM50132693 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50037168 CCN(CCCCCC(=O)c1ccc(cc1)N1CCCC1)Cc1ccccc1OC
BDBM50037152 CCN(CCCCCCC(=O)c1ccc(OC)c(OC)c1)Cc1ccccc1OC
BDBM50037153 CCCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
BDBM50037156 CCN(CCCCCC1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC
BDBM50037157 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCCNc2c1
BDBM50037158 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1cccc(OC(=O)NC)c1
BDBM50037159 CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1cccc(OC)c1OC
BDBM50008573 CN1CCC(CC1)\C=C1/Cc2ccccc2C1=O
BDBM50037155 CCN(CCCCCN(C(C)=O)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
BDBM50159737 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(Cc1ccccc1)c1ccccc1 |wU:12.21,3.3,wD:14.17,t:1,TLB:6:5:14:2.1.13,(-1.5,6.05,;-2.55,4.91,;-3.77,3.78,;-3.81,2.4,;-2.01,2.26,;-.93,2.87,;.61,3.06,;1.5,1.84,;3.04,2.03,;.87,.44,;-.67,.27,;-1.57,1.49,;-3.07,1.65,;-1.68,4.04,;-4.26,.9,;-3.58,-.73,;-3.88,-1.9,;-2.71,-.9,;-3.32,.44,;-2.01,-.38,;-1.28,-1.74,;.24,-1.81,;1.08,-.5,;2.62,-.5,;3.38,-1.83,;4.91,-1.83,;5.69,-.5,;4.91,.83,;3.37,.83,;.97,-3.17,;.15,-4.48,;.85,-5.84,;2.4,-5.91,;3.23,-4.59,;2.5,-3.24,)|
BDBM50159738 CN(CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)Cc1ccccc1 |wU:19.20,10.10,wD:9.8,c:25,THB:13:12:9:23.21.20,(1.32,-3.9,;.59,-2.54,;-.93,-2.47,;-1.66,-1.1,;-1.66,-2.66,;-2.97,-.29,;-2.36,-1.62,;-3.53,-2.62,;-3.23,-1.46,;-3.91,.19,;-3.46,1.69,;-1.66,1.56,;-.56,2.15,;.97,2.36,;1.86,1.12,;3.41,1.31,;1.23,-.27,;-.3,-.43,;-1.21,.77,;-2.71,.94,;-1.31,3.33,;-2.2,4.2,;-1.12,5.36,;-3.41,3.07,;1.44,-1.23,;2.98,-1.23,;3.75,.12,;5.28,.12,;6.07,-1.23,;5.28,-2.55,;3.75,-2.55,)|
BDBM50241242 OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50131885 C1N[c+]2ccn(Cc3ccc(Cn4cc[c+](NCc5cccc1c5)cc4)cc3)cc2
BDBM50003599 CN1CCC(=CC1)c1ccccc1 |c:4|
BDBM50169849 COc1cc2CC(Oc3cccc(CN4CCOCC4)c3)C(=O)c2cc1OC
BDBM50004654 CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50169850 COc1cc2CC(Oc3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
BDBM50169851 COc1cc2CC(Oc3cccc(c3)C(C)N3CCOCC3)C(=O)c2cc1OC
BDBM50169852 COc1cc2CC(Oc3ccc(cc3)C(C)N3CCOCC3)C(=O)c2cc1OC
BDBM50169853 CCN(CC)Cc1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
BDBM50154804 COc1cc2CC(Sc2cc1OC)C(=O)CCc1cc[n+](CC2CC2)cc1
BDBM50127978 OC(=O)c1cccc(c1)N1C(=O)C=CC1=O |c:13|
BDBM50127979 OC(=O)c1cccc(c1)-n1c(O)ccc1O
BDBM50127980 OC(=O)\C=C/C(=O)Nc1cccc(c1)C(O)=O
BDBM50190775 CCCC(CC1(CCCC1)C(=O)Nc1nnc(s1)-c1ccccc1)C(O)=O
BDBM50190777 CCCC(CC1(CCCC1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)C(O)=O
BDBM50190773 CCCC(CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
BDBM50190774 CCCC(CC1(CCCC1)C(=O)Nc1nncs1)C(O)=O
BDBM50249615 COc1ccc(cc1OC)C(=O)c1ccc(\C=C\CN(C)Cc2ccccc2)cc1
BDBM50158582 Nc1ccc2c(c1)c(-c1ccccc1)n(CCCNCCCNCCCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21
BDBM50158583 COc1ccccc1CN(C)CCCN(C)CCCNCCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
BDBM50087161 COc1ccc2CN(CCCCCCCCCC[N+]3=Cc4ccc(OC)c5OC6C[C@@H](O)C=C[C@@]6(CC3)c45)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:32,45,t:18|
BDBM50087162 COc1ccc2CN(CCCCCC[N+]3=Cc4ccc(OC)c5OC6C[C@@H](O)C=C[C@@]6(CC3)c45)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:28,41,t:14|
BDBM50087163 CO[C@@H]1C[C@@H]2Oc3c4c(CN(CCCCCCCCN5CC[C@@]67C=C[C@H](O)CC6Oc6c7c(C5)ccc6OC)CC[C@@]24C=C1)ccc3OC |c:23,48|
BDBM50087164 CO[C@@H]1C[C@@H]2Oc3c4c(CN(CCCCCCN5CC[C@@]67C=C[C@H](O)CC6Oc6c7c(C5)ccc6OC)CC[C@@]24C=C1)ccc3OC |c:21,46|
BDBM50094631 CCC1=CC2CC(C1)c1c(C2)nc2cc(F)cc(F)c2c1N |t:2,TLB:20:8:2.3.7:5|
BDBM50094632 CCC1=CC2CC(C1)c1c(C2)nc2ccc(Cl)cc2c1N |t:2,TLB:19:8:2.3.7:5|
BDBM50106731 OC(=O)CCCC[C@@H]1CCSS1 |r|
BDBM50094625 CCC1=CC2CC(C1)c1c(C2)nc2cc(C)cc(C)c2c1N |t:2,TLB:20:8:2.3.7:5|
BDBM50108424 COc1cccc(C[N+](C)(C)CC=C)c1
BDBM50108393 COc1ccc(cc1OC)C(=O)COc1ccc(cc1)[N+](C)(C)CC=C
BDBM50108394 COc1ccccc1[N+](C)(C)CC=C
BDBM50108395 COc1ccc(cc1OC)C(=O)COc1cccc(c1)[N+](C)(C)Cc1ccccc1
BDBM50108396 C[N+](C)(Cc1ccccc1)c1cccc(O)c1
BDBM50029912 COc1cc2CC(C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50029913 COc1ccc2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc2c1
BDBM50029914 COc1ccc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50029915 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c(OC)c1OC
BDBM50029916 COc1cc2CC(CC3CCN(CCc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50029917 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c(OC)c1
BDBM50029919 O=C1C(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12
BDBM50029921 COc1cc2CC(CC3CCN(Cc4ccccc4[N+]([O-])=O)CC3)C(=O)c2cc1OC
BDBM50029926 COc1ccc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c1OC
BDBM50029927 COc1cc2C\C(=C\C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50029930 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(O)c2cc1OC
BDBM50029931 O=C1C(CC2CCN(Cc3ccccc3)CC2)CCc2ccccc12
BDBM50029932 COc1cc2CC(CC3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
BDBM50029933 COc1cc2CC(CCCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50029934 COc1cc2CC(CC3CCN(Cc4ccc(cc4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
BDBM50029935 O=C1C(CC2CCN(Cc3ccccc3)CC2)CCCc2ccccc12
BDBM50029936 COc1ccc2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc2c1OC
BDBM50033999 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50094633 CC1=CC2CC(C1)c1c(C2)nc2cc(F)cc(F)c2c1N |t:1,TLB:19:7:1.2.6:4|
BDBM50042986 Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
BDBM50016828 [Br-].C(C[n+]1cc2ccccc2c2ccccc12)c1ccccc1
BDBM50029937 COc1cc2CC(CC3CCN(Cc4ccc(C)cc4)CC3)C(=O)c2cc1OC
BDBM50211247 Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
BDBM50211248 C[N+](C)(C)CC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
BDBM50211249 CN(C)CCNCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
BDBM50248850 COc1cc2oc(Cc3cccc(CN4CCCC4)c3)c(O)c2cc1OC
BDBM50197944 CCCCN1Cc2cc3OCOc3cc2-c2cccc(C=C)c12
BDBM50197945 CCCN1Cc2cc3OCOc3cc2-c2cccc(C=C)c12
BDBM50248815 CCN(C)Cc1cccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c1
BDBM50248816 CCN(C)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1
BDBM50275721 CCN(CCCCCCN1C(=O)c2ccc(cc2C1=O)-c1ccc2C(=O)N(CCCCCCN(CC)Cc3ccccc3OC)C(=O)c2c1)Cc1ccccc1OC
BDBM50275722 CCN(CCCCCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CCCCCCN(CC)Cc1ccccc1OC)c3=O)Cc1ccccc1OC
BDBM50166807 COc1cc2ccnc3C(=O)OC(Br)c(c1OC)c23
BDBM50194092 CCCC\N=c1/n2CCCc2nc2ccccc12
BDBM50194093 CC(=O)N=c1n2CCCc2nc2ccccc12 |w:3.2|
BDBM50194094 Clc1ccc2C(NCCCCCCCCN=c3n4CCCc4nc4cc(Cl)ccc34)N3CCCC3=Nc2c1 |w:15.14,c:38|
BDBM50194095 C(CCC\N=c1\n2CCCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCCc2nc2ccccc12
BDBM50194096 N=c1n2CCCc2nc2ccccc12
BDBM50194097 C(CCCC\N=c1/n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
BDBM50159110 C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
BDBM50108397 COc1ccc(cc1OC)C(=O)CCc1cccc(c1)[N+](C)(C)Cc1ccccc1
BDBM50108398 COc1ccc(cc1OC)C(=O)COc1ccc(cc1)[N+](C)(C)C
BDBM50108400 COc1ccccc1[N+](C)(C)CC(C)=C
BDBM50108401 COc1ccc(cc1)[N+](C)(C)Cc1ccccc1
BDBM50108402 C[N+](C)(CCC=C)c1ccccc1O
BDBM50108403 C[N+](C)(Cc1ccccc1)c1ccc(O)cc1
BDBM50108404 C[N+](C)(CC=C)c1ccc(O)cc1
BDBM50108405 C[N+](C)(CC=C)c1ccccc1O
BDBM50108406 C[N+](C)(Cc1ccccc1)c1ccccc1O
BDBM50258833 C[C@@H]1C[C@H](C[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5[C@H](C[C@@H](C)C[C@H]5N(C)C4)C[C@H]3N2)[C@H]2CCCN(C=O)[C@@H]2C1 |r|
BDBM50262738 CN(C)c1cc(O)cc(OCCCOc2cc(O)cc(c2)N(C)C)c1
BDBM50222010 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
BDBM50179325 CN(Cc1ccccc1)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
BDBM50179326 CCN(CC)c1nc2sc(C)c(C)c2c(=O)o1
BDBM50179327 O=c1oc(Nc2ccccc2)nc2sc3CN(Cc4ccccc4)CCc3c12
BDBM50179328 COc1ccc(CN(C)c2nc3sc4CN(Cc5ccccc5)CCc4c3c(=O)o2)cc1OC
BDBM50179329 O=c1oc(nc2sc3CCCCc3c12)N1CCOCC1
BDBM50179330 O=C(Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1)c1ccccc1
BDBM50179331 CN(C)c1nc2sc3CCCCc3c2c(=O)o1
BDBM50179333 CN(C)c1nc2sc3CN(C)CCc3c2c(=O)o1
BDBM50179334 CC(C)Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
BDBM50146885 Cc1cn(C2OC(COP3(=O)OC(c4ccccc4O3)C(Cl)(Cl)Cl)C=C2)c(=O)[nH]c1=O |c:26|
BDBM50146886 Cc1cccc2COP(=O)(OCC3CC(C=C3)n3cnc4c3nc(N)[nH]c4=O)Oc12 |c:15|
BDBM50146888 Cc1cn(C2OC(COP3(=O)OCc4cc(cc(c4O3)C(C)(C)C)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:30|
BDBM50037176 COc1cc2C[C@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50037177 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCCC1
BDBM50037178 CCN(CCCCCCCc1ccc(OC)c(OC)c1)Cc1ccccc1OC
BDBM50179319 O=c1sc(NC2CCCCC2)nc2sc3CN(Cc4ccccc4)CCc3c12
BDBM50179320 O=c1sc(Nc2ccccc2)nc2sc3CN(Cc4ccccc4)CCc3c12
BDBM50179321 CN(C)c1nc2sc3CN(CCc3c2c(=O)o1)C(=O)c1ccccc1
BDBM50179322 CN(C)c1nc2sc3CCCc3c2c(=O)o1
BDBM50179323 O=C(Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)s1)c1ccccc1
BDBM50179324 CCN1CCc2c(C1)sc1nc(oc(=O)c21)N(C)C
BDBM50094626 CCC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:2,TLB:19:8:2.3.7:5|
BDBM50094628 CCC1=CC2CC(C1)c1c(C2)nc2cccc(F)c2c1N |t:2,TLB:19:8:2.3.7:5|
BDBM50094629 CCC1=CC2CC(C1)c1c(C2)nc2cccc(Cl)c2c1N |t:2,TLB:19:8:2.3.7:5|
BDBM50094630 CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)cc(Cl)c2c1N |t:2,TLB:20:8:2.3.7:5|
BDBM50210319 COc1ccc2nc(c(C#N)c(N)c2c1)C(F)(F)F
BDBM50261232 CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(C)=O)Cc1ccccc1
BDBM50261237 COc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
BDBM50281253 Nc1c2C(CCCc2nc2ccccc12)c1cccs1
BDBM50281254 CCCCNC1CCCc2nc3ccccc3c(N)c12
BDBM50281255 Nc1c2C(CCCc2nc2ccccc12)Nn1cccc1
BDBM50281260 Nc1c2C(CCCc2nc2ccccc12)N1CCCC1
BDBM50281261 CCCCOC1CCCc2nc3ccccc3c(N)c12
BDBM50281262 CCOC1CCCc2nc3ccccc3c(N)c12
BDBM50281263 CCNC1CCCc2nc3ccccc3c(N)c12
BDBM50281264 CCCCCC(=O)NC1CCCc2nc3ccccc3c(N)c12
BDBM50281265 COc1ccc(CNC2CCCc3nc4ccccc4c(N)c23)cc1OC
BDBM50281266 CN1CCN(CC1)C1CCCc2nc3ccccc3c(N)c12
BDBM50281267 CC(=O)NC1CCCc2nc3ccccc3c(N)c12
BDBM50261343 Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCNC(=O)CCCCC1CCSS1
BDBM50261344 Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCCNC(=O)CCCCC1CCSS1
BDBM50312804 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312805 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCCCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50281245 Nc1c2C(CCCc2nc2ccccc12)NCc1ccccc1
BDBM50281246 Nc1c2C(CCCc2nc2ccccc12)NCCc1ccccc1
BDBM50281247 Nc1c2C(CCCc2nc2ccccc12)N1CCOCC1
BDBM50281248 C1CC2NC(=Nc3c2c(C1)nc1ccccc31)c1ccccc1 |c:4|
BDBM50281249 NC1CCCc2nc3ccccc3c(N)c12
BDBM50281250 CC1=NC2CCCc3nc4ccccc4c(N1)c23 |t:1|
BDBM50281251 COc1ccc(C2CCCc3nc4ccccc4c(N)c23)c(OC)c1
BDBM50281252 Nc1c2C(CCCc2nc2ccccc12)N1CCC(CC1)c1ccccc1
BDBM50281256 Nc1c2C(CCCc2nc2ccccc12)N=[N+]=[N-]
BDBM50281257 CCCNC1CCCc2nc3ccccc3c(N)c12
BDBM50281258 COC1CCCc2nc3ccccc3c(N)c12
BDBM50281259 CCCOC1CCCc2nc3ccccc3c(N)c12
BDBM50281268 Nc1c2C(CCCc2nc2ccccc12)N1CCN(CC1)c1ccccc1
BDBM50281269 Nc1c2C(CCCc2nc2ccccc12)N1CCCCC1
BDBM50244614 O=C(N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O)c1ccccc1
BDBM50244615 Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50244616 Clc1ccccc1C(=O)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
BDBM50166812 COc1cc2ccnc3C(=O)OCc(c1OC)c23
BDBM50166813 COc1cc2ccnc3c2c(COC3(CC=C)OC)c1OC
BDBM50166814 COc1cc2ccnc3c2c(COC3(O)CC(O)CO)c1OC
BDBM50166815 COc1cc2ccnc3c2c(COC3(CCCO)OC)c1OC
BDBM50312802 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(Cc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312803 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312806 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccc(C)cc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312807 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccc(F)cc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312808 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccc(Cl)cc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312809 CC(C)c1ccc(CCN2CC[C@]3(C)[C@H]2N(C)c2ccc(OC(=O)Nc4ccc(cc4)C(C)C)cc32)cc1 |r|
BDBM50312810 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccc(C)cc5C)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312811 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccc(Cl)cc5Cl)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312812 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CC(C)c5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312813 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CC(c5ccccc5)c5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312814 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CC[C@@]4(C)c3c2)C(Cc2ccccc2)c2ccccc2)cc1 |r|
BDBM50312815 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccn5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312816 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5cccnc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50312817 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccncc5)CC[C@@]4(C)c3c2)cc1 |r|
BDBM50279980 Nc1c2CCCCc2nc2OCCCc12
BDBM50280623 Nc1c2CCCCc2nc2c(Cl)cccc12
BDBM50280624 Nc1c2C3CCC(C3)c2nc2ccc(Cl)cc12
BDBM50280625 Nc1c2C3CCC(C3)c2nc2cc(Cl)ccc12
BDBM50280626 Nc1c2C3CCC(C3)c2nc2c(Cl)cccc12
BDBM50280627 Nc1c2C3CCC(C3)c2nc2cccc(Cl)c12
BDBM50280628 Nc1c2C(O)CCCc2nc2cccc(O)c12
BDBM50280629 Nc1c2[C@H](O)CC[C@@H](O)c2nc2ccccc12
BDBM50280630 Nc1c2[C@@H](O)CC[C@@H](O)c2nc2ccccc12
BDBM50280631 Nc1c2C(O)CCCc2nc2cc(O)ccc12
BDBM50280632 Nc1c2[C@@H](O)C[C@@H](O)Cc2nc2ccccc12
BDBM50280633 Nc1c2[C@H](O)[C@@H](O)CCc2nc2ccccc12
BDBM50280634 Nc1c2C(O)CCCc2nc2ccc(O)cc12
BDBM50280635 Nc1c2[C@@H](O)[C@@H](O)CCc2nc2ccccc12
BDBM50280636 Nc1c2C(O)CCCc2nc2c(O)cccc12
BDBM50280637 Nc1c2[C@H](O)C[C@@H](O)Cc2nc2ccccc12
BDBM50280646 COc1cc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM50166808 COc1cc2cc[n+](C)c3C(=O)OC(Br)c(c1OC)c23
BDBM50166809 COc1ccc2CNCC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:11|
BDBM50166810 COc1cc2ccnc3c2c(COC3(O)CC=C)c1OC
BDBM50166811 COc1cc2ccnc3c2c(COC3(CC(O)CO)OC)c1OC
BDBM50280644 COc1cc2CC(=CCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC |w:7.7|
BDBM50243981 COC(=O)c1cc2c(cn1)[nH]c1ccccc21
BDBM50243985 Cn1cc2C(=O)c3nccc4c3c(nc3cc(Br)ccc43)-c2cc1=O
BDBM50244709 Cc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)oc2ccc(C)cc12
BDBM50242388 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 |r|
BDBM50316973 CC(C)Cc1ccc(cc1)C(C)C(=O)OCc1ccc(OC(=O)OCC[Si](C)(C)C)cc1
BDBM50316974 CC(C)Cc1ccc(cc1)C(C)C(=O)OCc1ccc(OC(=O)OCCC(C)(C)C)cc1
BDBM50320721 Nn1c(n[nH]c1=S)-c1ccncc1
BDBM50299463 CCN(CCCCCC=Nc1cc(O)c(NCCCCCCNC(=O)CCCCC2CCSS2)cc1O)Cc1ccccc1OC |w:8.7|
BDBM50299464 CCN(CCCCCC=Nc1cc(O)c(NCCCNC(=O)CCCCC2CCSS2)cc1O)Cc1ccccc1OC |w:8.7|
BDBM50299465 CCN(CCC=Nc1cc(O)c(NCCCCCCNC(=O)CCCCC2CCSS2)cc1O)Cc1ccccc1OC |w:5.4|
BDBM50299466 CCN(CCC=Nc1cc(O)c(NCCCNC(=O)CCCCC2CCSS2)cc1O)Cc1ccccc1OC |w:5.4|
BDBM50316975 COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCc1ccc(OC(=O)OCC[Si](C)(C)C)cc1 |r|
BDBM50316976 COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCc1ccc(OC(=O)OCCC(C)(C)C)cc1 |r|
BDBM50316977 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCc3ccc(OC(=O)OCC[Si](C)(C)C)cc3)c2c1
BDBM50316978 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCc3ccc(OC(=O)OCCC(C)(C)C)cc3)c2c1
BDBM50316979 C[Si](C)(C)CCOC(=O)Oc1ccc(COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1
BDBM50316980 CC(C)(C)CCOC(=O)Oc1ccc(COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1
BDBM50316981 CC(C)Cc1ccc(cc1)C(C)C(=O)OCC[N+](C)(C)C
BDBM50316982 CC(C)Cc1ccc(cc1)C(C)C(=O)OCC[Si](C)(C)C
BDBM50321914 O=C(Nc1ccccc1)Oc1cccnc1
BDBM50321915 C[n+]1cccc(OC(=O)Nc2ccccc2)c1
BDBM50321916 CNC(=O)Oc1ccc2N(C)C3[C@@](C)(CC[N+]3(C)C)c2c1 |r|
BDBM50321917 CN1C2[C@@](C)(CC[N+]2(C)C)c2cc(OC(=O)Nc3ccccc3)ccc12 |r|
BDBM50321918 CN1C2[C@@](C)(CC[N+]2(C)C)c2cc(OC(=O)Nc3ccccc3C)ccc12 |r|
BDBM50321919 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4[C@@](C)(CC[N+]4(C)C)c3c2)cc1 |r|
BDBM50321920 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4[C@@](C)(CC[N+]4(C)CCc4ccccc4)c3c2)cc1 |r|
BDBM50305261 CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1
BDBM50318740 C(N1CCC(CC1)\C=C\c1noc2ccccc12)c1ccccc1
BDBM50318741 C(Nc1nsc2ccccc12)C1CCN(Cc2ccccc2)CC1
BDBM50318762 CN(C)C(=O)Oc1ccc(cc1)-c1cn2c(cccc2[n+]1C)C(F)(F)F
BDBM50318763 COc1cccc2[n+](C)c(cn12)-c1ccc(OC(=O)N(C)C)cc1
BDBM50318785 O=C(Nc1ccccc1)c1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
BDBM50318786 O=C1CNc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc2C1
BDBM50318854 CN1CCCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM50318855 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2N(CCCc2c1)c1ccccc1
BDBM50318856 O=C(CCC1CCN(Cc2ccccc2)