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890 SMILES Strings for Adrenergic receptor alpha-2

Compound NameSMILES String
BDBM10999 NCc1ccccc1
BDBM13014 Clc1ccc2CCNCc2c1Cl
BDBM13017 NS(=O)(=O)c1ccc2CCNCc2c1
BDBM13018 CS(=O)(=O)c1ccc2CCNCc2c1
BDBM13019 O=S(=O)(c1ccccc1)c1ccc2CCNCc2c1
BDBM13020 C=CCS(=O)(=O)c1ccc2CCNCc2c1
BDBM13021 ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1
BDBM14060 Ic1ccc2CCNCc2c1
BDBM14061 Clc1ccc2CCCNCc2c1Cl
BDBM50222218 CN1CCN2C(C1)c1ccccc1Cc1ccccc21
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
BDBM21395 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM25392 CC(C)NCC(O)c1ccc(O)c(O)c1
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM30703 Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
BDBM30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
BDBM50456207 COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
BDBM31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
BDBM30993 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|
BDBM31005 Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
BDBM34572 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM36024 C[NH2+]C[C@H](O)c1cccc(O)c1
BDBM35254 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM35256 [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
BDBM50229141 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)C=C
BDBM50229154 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C(O)C(I)I)c(=O)[nH]c1=O |r|
BDBM50229069 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)c(OC)cc13)C2)S(C)(=O)=O
BDBM50229070 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc4OCOc4cc13)C2)S(=O)(=O)CC(C)C
BDBM50229071 [H][C@@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc4OCOc4cc13)C2)S(C)(=O)=O
BDBM50229072 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(C)(=O)=O
BDBM50229073 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(C2)C(C)Cc2cc(OC)c(OC)cc12)S(C)(=O)=O
BDBM50229074 [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)CCl
BDBM50229136 [H][C@]12CCCN([C@@]1([H])C[C@]([H])(N(C)C2)c1ccc2OCOc2c1)S(C)(=O)=O
BDBM48320 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
BDBM50773 COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
BDBM55436 C(C1=NCCN1)c1ccccc1 |t:1|
BDBM60917 Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
BDBM66983 CN1CCc2cccc(Cl)c2CC1
BDBM69602 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
BDBM73071 C1Cc2[nH]c3ccccc3c2CN1
BDBM78433 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM77970 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
BDBM82272 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
BDBM81444 COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
BDBM81802 CN1CCN(CC1)C1=Nc2ccccc2Sc2nccn12 |t:8|
BDBM81803 CCOC1(COc2ccccc2O1)C1=NCCN1 |t:15|
BDBM81804 Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM81805 C=CCN1Cc2ccccc2-c2ccccc2C1
BDBM81806 C=CCn1c(cc2ccccc12)C1=NCCN1 |t:14|
BDBM81807 CCC1(Cc2ccccc2C1)c1cnc[nH]1
BDBM81808 CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1
BDBM81809 Oc1ccc(CCNCC2CCc3ccccc3C2=O)cc1
BDBM81810 CS(=O)(=O)NCCN(C1CCN2CCc3ccccc3C2C1)S(C)(=O)=O
BDBM81811 CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
BDBM81812 CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc12
BDBM81813 Cc1cccc(C)c1CCc1cnc[nH]1
BDBM81814 Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM81815 CCOc1ccc(CC(NC(=O)CC2(S)CCCCC2)C(=O)NC(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C=S)C(=O)NC(CCCCN)C(N)=O)cc1
BDBM81816 CCCCS(=O)(=O)N(C)[C@H]1CCN2CCc3ccccc3[C@H]2C1
BDBM81772 COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1
BDBM81773 CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r|
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM84950 CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM84951 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
BDBM85091 CCCN(CCC)C1CCc2cc(O)c(O)cc2C1
BDBM85098 [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
BDBM96559 C1CN=C(N1)C1CCCc2ccccc12 |c:2|
BDBM94630 CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
BDBM50042730 COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19|
BDBM50000496 Oc1ccc(cc1O)C1(O)CCCNC1
BDBM50000497 CC(C)N1CCCC(O)(C1)c1ccc(O)c(O)c1
BDBM50000498 N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
BDBM50000499 CC(C)N1CCOC(C1)c1ccc(O)c(O)c1
BDBM50000501 CC(C)NC1CCc2cc(O)c(O)cc2[C@H]1O
BDBM50000502 Oc1ccc(cc1O)C1CNCCO1
BDBM50000503 N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
BDBM50000504 CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
BDBM50230393 Cl.CC(C1=NCCN1)c1cccc2ccccc12 |t:2|
BDBM50230394 Cl.CC(c1c[nH]cn1)c1ccc2ccccc2c1
BDBM50002151 C1CN(CCN1)c1nccn2ccnc12
BDBM50001859 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50001888 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50002238 OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
BDBM50001922 C(C1=NCCN1)c1cccc2ccccc12 |t:1|
BDBM50005127 O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
BDBM50005836 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50005833 COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
BDBM50005834 CC(C)n1c2ccccc2n(C(=O)CC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18,THB:22:21:14.20.15:17.18|
BDBM50007692 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
BDBM50008824 NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1
BDBM50008825 Cc1ccc2[C@H](CN)O[C@@H](Cc2c1O)C1CCCCC1
BDBM50008735 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
BDBM50008782 CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
BDBM50008783 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC
BDBM50008786 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC
BDBM50007126 CC(C)(C)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
BDBM50007129 NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
BDBM50007428 O=c1ccoc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12
BDBM50007134 NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccccc1
BDBM50007136 NC[C@H]1O[C@H](Cc2c(O)c(O)ccc12)c1ccccc1
BDBM50007140 Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
BDBM50007148 NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
BDBM50009073 COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50010891 NCC1OCCc2c(O)c(O)ccc12
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50230849 CN1C(=O)N2CC(CN3CCN(CC3)c3ccccc3)N=C2c2ccccc12 |c:22|
BDBM50014651 CN1CCc2ccccc2C1
BDBM50017720 C(C1COc2ccccc2O1)N1CCCCC1
BDBM50017543 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
BDBM50228241 Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:31,t:28|
BDBM50016970 C1CN(CCN1)c1nccc2sccc12
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50016972 C1CN(CCN1)c1nccc2occc12
BDBM50016489 C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50228235 Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)C(C2CCCCC2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:31,t:28|
BDBM50017452 Clc1cncc(n1)N1CCNCC1
BDBM50019457 CCN(CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
BDBM50019458 CC1CCCCN1CCCNCC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
BDBM50019057 CNCC(O)c1cc(O)c(O)cc1F
BDBM50019461 Cc1nn(C)c(N)c1C(=O)c1ccccc1F
BDBM50019059 CNCC(O)c1ccc(O)c(O)c1F
BDBM50019060 NCC(O)c1ccc(O)c(O)c1F
BDBM50019061 NCC(O)c1cc(O)c(O)cc1F
BDBM50019492 COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
BDBM50019646 CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
BDBM50019729 Oc1ccc2[C@H](CCCc2c1O)C1=NCCN1 |t:14|
BDBM50023453 OCC1Cc2ccc(Cl)c(Cl)c2CN1
BDBM50228236 Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)C[C@H]1COc2ccccc2O1 |r,c:4,9|
BDBM50226844 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N(C)Cc1ccccc1
BDBM50226846 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCc1ccccc1
BDBM50226839 CCCCNC(=O)CCC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50226840 CCCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50226841 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(N)=O
BDBM50226842 CCCCNC(=O)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM50019855 CN1C(Cc2cc(F)ccc12)C1=NCCN1 |t:13|
BDBM50021195 CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO
BDBM50021196 CN(C1CCN2CCc3c(oc4ccccc34)C2C1)S(=O)(=O)CCO
BDBM50021197 CN([C@H]1CCN2CCc3c(oc4ccccc34)[C@H]2C1)S(=O)(=O)CCO
BDBM50020819 CNCCc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50020168 COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC
BDBM50020192 O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
BDBM50019968 CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10|
BDBM50021900 Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12
BDBM50226845 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC(=O)NCC2CC2)CC1
BDBM50226853 CCCCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50021545 CNCC(O)c1cccc(O)c1F
BDBM50021546 CNCC(O)c1cc(O)ccc1F
BDBM50021365 CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1
BDBM50021809 Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50021812 [#7]-c1cc(Cl)c(\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1
BDBM50021874 C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
BDBM50020221 CCCN(CCC)C1CCc2c(O)cccc2C1
BDBM50020222 CCCN(CCC)C1CCc2ccc(O)cc2C1
BDBM50024822 Oc1ccc2CNCCc2c1
BDBM50024824 Oc1cccc2CNCCc12
BDBM50025124 Oc1ccc2c(c1)[nH]c(=O)n(CCN1CCC(CC1)C(=O)c1ccc(F)cc1)c2=O
BDBM50024825 COc1cccc2CCNCc12
BDBM50024826 Oc1ccc2CCNCc2c1
BDBM50024831 Oc1cc2CCNCc2cc1O
BDBM50024835 COc1cccc2CNCCc12
BDBM50226315 CSc1c(Cl)nc(nc1NC(C)C)N1CCN(C)CC1
BDBM50226322 CN1CCN(CC1)c1nc(Cl)c(Cl)c(NC2CCCC2)n1
BDBM50226338 CNc1nc(nc(Cl)c1Br)N1CCN(C)CC1
BDBM50024836 Oc1cccc2CCNCc12
BDBM50024840 COc1ccc2CCNCc2c1
BDBM50024841 COc1ccc2CNCCc2c1
BDBM50226951 C1CN=C(N1)N1CCc2ccccc12 |c:2|
BDBM50226860 [#8-]-[#7+](=O)-c1cc(Cl)c(\[#7]=[#6]-2/[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1
BDBM50226861 Clc1cc(cc(Cl)c1NC1=NCCN1)N=NN1CCCC1 |t:10|
BDBM50024210 NCCc1c[nH]c2ccccc12
BDBM50029050 CNC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50029051 NC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50028628 C[C@@H](N)c1ccccc1 |r|
BDBM50028638 C[C@H](N)c1ccccc1 |r|
BDBM50225288 C1CN=C(Nc2cccc3CCCCc23)N1 |t:2|
BDBM50027031 Clc1ccccc1NCC1=NCCN1 |t:10|
BDBM50027032 Cc1ccc(NCC2=NCCN2)cc1 |t:7|
BDBM50027033 Cc1ccc(cc1)N(CC1=NCCN1)C1CCCCC1 |t:10|
BDBM50027034 Cc1ccc(cc1)N(CC1=NCCN1)c1ccccc1 |t:10|
BDBM50027035 Oc1cccc(NCC2=NCCN2)c1 |t:8|
BDBM50027036 CN(CC1=NCCN1)c1ccc(C)cc1 |t:3|
BDBM50027037 CCN(CC1=NCCN1)c1ccc(C)cc1 |t:4|
BDBM50026553 CCCN(CCC)C1CCc2c(C1)ccc(O)c2O
BDBM50027056 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\c1cccc2-[#6]-[#6]-[#6]-[#6]-c12
BDBM50027058 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50027060 C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
BDBM50027067 FC(F)(F)c1ccc(Cl)c(c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50026777 COc1ccc(OC)c(c1)C(O)C(C)N
BDBM50026782 COc1ccc(OC)c2CNCCc12
BDBM50026847 COc1cc2CCOC(CCN3CCN(CC3)c3ccc(F)cc3)c2cc1OC
BDBM50026636 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50026917 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50027024 Fc1cccnc1N1CCNCC1
BDBM50226335 CSc1c(Cl)nc(nc1NC(C)(C)C)N1CCN(C)CC1
BDBM50033111 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
BDBM50033113 O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
BDBM50031301 Fc1cccc2CCC3(CNC=N3)Cc12 |c:11|
BDBM50031306 NC1=NC2(CO1)CCc1cccc(Cl)c1C2 |t:1|
BDBM50031308 COc1ccc2CCC3(CNC=N3)Cc2c1 |c:11|
BDBM50031311 Cc1ccc2CCC3(CNC=N3)Cc2c1 |c:10|
BDBM50031316 COc1cccc2CC3(CNC=N3)CCc12 |c:11|
BDBM50031319 C1NC=NC11CCc2ccccc2C1 |c:2|
BDBM50031324 Clc1cc(Cl)c2CCC3(CNC=N3)Cc2c1 |c:11|
BDBM50031326 COc1ccc2CC3(CNC=N3)CCc2c1 |c:10|
BDBM50031330 COc1cccc2CCC3(CNC=N3)Cc12 |c:12|
BDBM50031475 COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
BDBM50030622 COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 |t:4|
BDBM50030623 [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1
BDBM50454831 C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
BDBM50040253 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM50040260 COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|
BDBM50042725 COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
BDBM50042726 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
BDBM50042731 COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
BDBM50042995 CNCC(O)c1c(F)ccc(O)c1F
BDBM50042996 NCC(O)c1cc(F)c(O)c(O)c1F
BDBM50042997 NCC(O)c1c(F)cc(O)c(O)c1F
BDBM50042998 NCC(O)c1cc(O)c(O)c(F)c1
BDBM50042999 CNCC(O)c1cc(F)c(O)c(O)c1F
BDBM50041913 CC(C)NCC1OCCc2c(O)c(O)ccc12
BDBM50041914 NCC1OCCc2cc(O)c(O)cc12
BDBM50041915 CC(C)NCC1OCCc2cc(O)c(O)cc12
BDBM50045775 C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50048610 CCCN(c1ccncc1)n1c2ccccc2c2ccccc12
BDBM50048611 CCCN(c1ccncc1)n1cc(CC)c2ccccc12
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50048573 CCCN(c1ccncc1)n1c(C)cc2ccccc12
BDBM50048576 CCCCN(c1ccncc1)n1ccc2ccccc12
BDBM50048580 CCCN(c1ccncc1)n1ccc2ccccc12
BDBM50048587 CCCN(c1ccncc1)n1cc(C)c2ccccc12
BDBM50048589 CN(c1ccncc1)n1ccc2ccccc12
BDBM50048590 CC(C)N(c1ccncc1)n1ccc2ccccc12
BDBM50048600 CCN(c1ccncc1)n1ccc2ccccc12
BDBM50048602 C#CCN(c1ccncc1)n1ccc2ccccc12
BDBM50048608 N(c1ccncc1)n1ccc2ccccc12
BDBM50050093 [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50050094 CC(C)C1C2CCC(C2)C1N |TLB:10:9:8:5.6,THB:1:3:8:5.6|
BDBM50052880 [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50052881 [#6]-c1c(ccc2-[#7]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50052882 [#6]-c1c(ccc2-[#8]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50052883 C1CNCc2ccccc2C1
BDBM50052884 C[C@H]1Cc2ccccc2CN1
BDBM50052885 C[C@@H]1Cc2ccccc2CN1
BDBM50052886 C1CSc2ccccc2CN1
BDBM50052887 C1NCc2ccccc12
BDBM50052888 C1CNc2ccccc2CN1
BDBM50052889 C1CCc2ccccc2CNC1
BDBM50052890 C1COc2ccccc2CN1
BDBM50057120 C(C1=NCCN1)c1ccc2ccccc2c1 |t:1|
BDBM50055827 COc1ccc(Nc2ncc[nH]2)c(C)c1
BDBM50055828 Brc1c(Nc2ncc[nH]2)ccc2nccnc12
BDBM50055829 Cc1c(Nc2ncc[nH]2)ccc2nccnc12
BDBM50055830 Cc1c(Nc2ncc[nH]2)ccc2OCCNc12
BDBM50055831 N(c1ncc[nH]1)c1ccc2nc[nH]c2c1
BDBM50055832 Cc1c(Nc2ncc[nH]2)ccc2OCCOc12
BDBM50055833 Brc1ccccc1Nc1ncc[nH]1
BDBM50055834 COc1ccc(Nc2ncc[nH]2)c(C)c1OC
BDBM50055835 COc1c(C)c(Nc2ncc[nH]2)c(C)cc1C(C)(C)C
BDBM50055836 Clc1cccc(Cl)c1Nc1ncc[nH]1
BDBM50055837 COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C
BDBM50055838 N(c1ncc[nH]1)c1ccc2nccnc2c1
BDBM50061309 CS(=O)(=O)Nc1ccc2CCNCc2c1
BDBM50061310 Clc1ccc(NS(=O)(=O)c2ccc3CCNCc3c2)cc1
BDBM50061311 NCc1cccc2ccccc12
BDBM50061312 COc1ccc2c(CN)cccc2c1
BDBM50061313 CNS(=O)(=O)c1ccc2CCNCc2c1
BDBM50061314 COc1ccc2c3CNCCc3ccc2c1
BDBM50061315 NCc1cccc2cc(O)ccc12
BDBM50061316 CS(=O)(=O)N(c1ccc2CCNCc2c1)S(C)(=O)=O
BDBM50061317 CS(=O)(=O)NCc1ccc2CCNCc2c1
BDBM50061318 Oc1ccc2c3CNCCc3ccc2c1
BDBM50060964 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
BDBM50060965 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
BDBM50066109 COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16|
BDBM50070181 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50070182 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C)C(=O)Nc1nccs1
BDBM50070183 C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
BDBM50070184 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50070185 CN1C[C@H](CNC(=O)c2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
BDBM50070186 CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50070187 CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
BDBM50070188 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
BDBM50070189 CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
BDBM50070190 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
BDBM50070191 CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
BDBM50070192 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C)C(=O)Nc1ccc(Cl)nn1
BDBM50070193 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
BDBM50070194 C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
BDBM50070195 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)Nc1ccc(Cl)nn1
BDBM50070196 CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
BDBM50070197 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)Nc1nccs1
BDBM50070198 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C)C(=O)Nc1nccs1
BDBM50070199 CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50070200 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C)C(=O)Nc1ccc(Cl)nn1
BDBM50070201 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
BDBM50070202 CN1C[C@H](CNC(=O)c2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
BDBM50070203 CN1C[C@H](CNC(=O)c2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50069022 CN1CCc2cccc3[nH]cc(C1)c23
BDBM50072974 OCc1ccc2CCNCc2c1
BDBM50072977 Brc1ccc2CCNCc2c1
BDBM50072978 COC(=O)c1ccc2CCNCc2c1
BDBM50072979 FC(F)(F)c1ccc2CCNCc2c1
BDBM50072980 Nc1ccc2CCNCc2c1
BDBM50072981 Cc1ccc2CCNCc2c1
BDBM50072982 O=C(c1ccccc1)c1ccc2CCNCc2c1
BDBM50072984 C(c1ccccc1)c1ccc2CCNCc2c1
BDBM50072985 CC(=O)c1ccc2CCNCc2c1
BDBM50072986 CSc1ccc2CCNCc2c1
BDBM50072987 FC(F)(F)C(=O)c1ccc2CCNCc2c1
BDBM50072989 N#Cc1ccc2CCNCc2c1
BDBM50072990 NC(=O)c1ccc2CCNCc2c1
BDBM50072991 [O-][N+](=O)c1ccc2CCNCc2c1
BDBM50079899 FC(F)(F)C1Cc2ccc(cc2CN1)C#N
BDBM50079900 [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50079901 CS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50079902 FC(F)(F)C1Cc2ccc(Br)cc2CN1
BDBM50079903 COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9|
BDBM50079904 FC(F)(F)C1Cc2ccccc2CN1
BDBM50225243 [H][C@@]12CCc3c(OC)cccc3C1OCCN2CC
BDBM50077658 O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
BDBM50077659 O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
BDBM50077660 Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
BDBM50077661 Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
BDBM50077662 O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
BDBM50077663 Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
BDBM50077664 Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
BDBM50077536 OC[C@@H]1Cc2ccccc2CN1
BDBM50077538 C[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077539 OC[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077540 OC[C@H]1Cc2ccccc2CN1
BDBM50077541 OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077544 C[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50083342 Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
BDBM50088394 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
BDBM50086502 C1CN=C(N1)c1cc2ccccc2o1 |c:2|
BDBM50086503 N#CSc1ccc2oc(cc2c1)C1=NCCN1 |t:14|
BDBM50086660 OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM50086662 COc1ccccc1N1CCN(CCCN2C(=O)CSc3ccccc23)CC1
BDBM50086663 OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)c1ccc(F)cc1
BDBM50086664 OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)C(=O)c1ccco1
BDBM50086665 OC(COc1ccc2NC(=O)CSc2c1)CN1CCN(CC1)c1ccc(F)cc1
BDBM50086666 COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc23)CC1
BDBM50086668 COc1ccccc1N1CCN(CC(O)COc2ccc3NC(=O)CSc3c2)CC1
BDBM50086670 COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1
BDBM50086672 OC(COc1ccc2NC(=O)CSc2c1)CN1CCN(CC1)C(=O)c1ccco1
BDBM50086673 CC(C)(C)NCC(O)COc1cccc2NC(=O)CSc12
BDBM50086674 OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)C(=O)c1ccco1
BDBM50086675 OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM50086677 COc1ccccc1N1CCN(CC(O)COc2ccc3SCC(=O)Nc3c2)CC1
BDBM50086678 OC(COc1ccc2NC(=O)CSc2c1)CN1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM50086679 OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)c1ccc(F)cc1
BDBM50218565 COc1ccccc1N1CCN(CCCOc2ccc3NC(=O)CSc3c2)CC1
BDBM50155152 COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2 |TLB:12:13:17:20.19.21,22:20:13.14.15:17,THB:21:20:13:16.15.17,21:16:13:20.19.22,22:14:17:20.19.21,(8.67,-11.69,;8.67,-10.15,;7.33,-9.38,;5.99,-10.15,;4.66,-9.38,;3.32,-10.15,;4.66,-7.83,;3.33,-7.06,;5.99,-7.05,;7.33,-7.82,;8.66,-7.05,;8.66,-5.5,;10.01,-7.81,;11.34,-7.04,;12.54,-5.76,;13.85,-6.25,;15.25,-5.9,;14.24,-7.18,;12.84,-6.62,;12.82,-5.01,;13.87,-3.79,;15.27,-4.37,;12.52,-4.26,)|
BDBM50085676 Cc1sc(C)c2C(CCCc12)c1cnc[nH]1
BDBM50085677 Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|
BDBM50085678 C1CC(c2cnc[nH]2)c2ccsc2C1
BDBM50085680 C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|
BDBM50085681 c1cc2c(cccc2s1)-c1c[nH]cn1
BDBM50085682 C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8|
BDBM50181836 COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
BDBM50098073 C(N1CCCC2Cc3ccccc3CC12)c1ccccc1
BDBM50098074 COc1cccc2CC3C(CCCN3Cc3ccccc3)Cc12
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50099322 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
BDBM50099325 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
BDBM50109283 COc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
BDBM50109284 Clc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
BDBM50109285 Clc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
BDBM50109286 COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
BDBM50109287 COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
BDBM50108316 COc1ccc2n3CCNCc3cc2c1
BDBM50108305 C1Cn2c(CN1)nc1ccccc21
BDBM50108307 C1Cn2c(CN1)cc1ccccc21
BDBM50108311 COc1ccc2cc3CNCCn3c2c1
BDBM50122411 COc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,)|
BDBM50122242 CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl
BDBM50122243 CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
BDBM50122238 CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OCC)c(=O)c1Cl
BDBM50122239 CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
BDBM50122415 OC1(CCC(CC1)N1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1 |(5.23,1.3,;4.83,-.19,;5.88,-1.03,;7.64,-.99,;7.91,-2.53,;6.93,-1.73,;5.09,-1.73,;9.45,-2.53,;10.2,-1.2,;11.74,-1.2,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;14.05,-5.19,;14.82,-6.52,;16.36,-6.52,;17.13,-5.18,;16.36,-3.86,;11.74,-3.86,;10.22,-3.86,;3.29,-.17,;2.5,-1.5,;.98,-1.5,;.21,-.16,;-1.31,.18,;-1.45,1.72,;-.02,2.33,;.99,1.17,;2.53,1.16,)|
BDBM50130095 Cn1c2CCNCCc2c2ccccc12
BDBM50130287 [#6]-c1c(cccc1-c1ccccc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50130262 C1Cc2c(CN1)[nH]c1ccccc21
BDBM50133229 CC(N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133232 C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50132097 COc1ccc2c3CCNCc3[nH]c2c1
BDBM50132693 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50132481 CCCCCNC1=NCCN1OCc1ccccc1 |t:6|
BDBM50132483 CCCCCNC1=NCCN1OCCc1ccccc1 |t:6|
BDBM50136491 COc1cccc2[nH]c3C=NCCc3c12 |c:9|
BDBM50136492 COc1ccc2[nH]c3CNCCc3c2c1
BDBM50136495 Brc1ccc2[nH]c3CNCCc3c2c1
BDBM50136497 Brc1ccc2c3CCN=Cc3[nH]c2c1 |c:8|
BDBM50136499 COc1cccc2[nH]c3CNCCc3c12
BDBM50136501 Brc1cccc2[nH]c3CNCCc3c12
BDBM50136502 COc1cccc2c3CCNCc3[nH]c12
BDBM50136503 Brc1cccc2c3CCN=Cc3[nH]c12 |c:9|
BDBM50136504 Brc1cccc2[nH]c3C=NCCc3c12 |c:8|
BDBM50136505 COc1ccc2[nH]c3C=NCCc3c2c1 |c:8|
BDBM50136506 C1Cc2c(C=N1)[nH]c1ccccc21 |c:4|
BDBM50136507 Brc1ccc2c3CCNCc3[nH]c2c1
BDBM50136508 Brc1ccc2[nH]c3C=NCCc3c2c1 |c:7|
BDBM50136509 COc1cccc2c3CCN=Cc3[nH]c12 |c:10|
BDBM50135710 Cc1sc(C)c-2c1CCCc1c[nH]nc-21
BDBM50138500 C1CN=C(N1)\C=C\c1ccccc1 |c:2|
BDBM50137976 CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8|
BDBM50137978 CN1CCN(CC1)[C@@H]1Cn2cccc2Sc2ccc(Cl)cc12
BDBM13016 C1Cc2ccccc2CN1
BDBM50151930 NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
BDBM50151935 COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
BDBM50151946 COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
BDBM50151982 NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
BDBM50171234 CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12
BDBM50181837 Cn1nc(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)c2ccccc12
BDBM50181839 Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
BDBM50181840 O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12
BDBM50181841 O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1[nH]nc2ccccc12
BDBM50240671 Clc1ccc2nsnc2c1NC1=NCCN1 |t:13|
BDBM50240701 Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13|
BDBM50284689 Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
BDBM50284690 Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
BDBM50213211 COc1ccc(NC2=NCCN2)c(C)c1OC |t:7|
BDBM50213212 Cc1c(NC2=NCCN2)ccc2OCCOc12 |t:4|
BDBM50213217 CN(C1=NCCN1)c1ccc2OCCOc2c1 |t:2|
BDBM50290747 Cn1ncc2N(CCCOc2c1=O)C(=O)CNCC1COc2ccccc2O1
BDBM50290748 COc1ccccc1OCCNCCC(=O)N1CCCSc2c1cnn(C)c2=O
BDBM50290749 Cn1ncc2N(CCCOc2c1=O)C(=O)CCNCCOc1ccccc1
BDBM50290750 COc1ccccc1OCCNCCCC(=O)N1CCCOc2c1cnn(C)c2=O
BDBM50290759 Cn1ncc2N(CCCSc2c1=O)C(=O)CNCC1COc2ccccc2O1
BDBM50290760 COc1ccccc1OCCNCCC(=O)N1CCCOc2c1cnn(C)c2=O
BDBM50290761 COc1ccccc1OCC(O)CN1CCN(CCC(=O)N2CCCOc3c2cnn(C)c3=O)CC1
BDBM50290762 COc1ccccc1OCCNCCCC(=O)N1CCCSc2c1cnn(C)c2=O
BDBM50290763 COc1ccccc1OCCN(C)CCC(=O)N1CCCOc2c1cnn(C)c2=O
BDBM50290766 COc1ccccc1OCCNCC(=O)N1CCCOc2c1cnn(C)c2=O
BDBM50290770 COc1ccccc1OCCNCC(=O)N1CCCSc2c1cnn(C)c2=O
BDBM50289291 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8|
BDBM50289292 Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 |c:13|
BDBM50295557 CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r|
BDBM50366923 CCN(C)C1CCCc2ccncc12
BDBM50225241 [H][C@@]12CCc3ccc(O)cc3C1OCCN2CC
BDBM50225242 [H][C@@]12CCc3ccc(O)cc3C1OCCN2CCCC
BDBM50225244 [H][C@@]12CCc3cccc(O)c3C1OCCN2CC
BDBM50225245 [H][C@@]12CCc3ccc(OC)cc3C1OCCN2CC
BDBM50225246 [H][C@@]12CCc3cc(OC)ccc3C1OCCN2CC
BDBM50225247 [H][C@@]12Cc3c[nH]c4cccc(C1OCCN2c1ccccc1)c34
BDBM50225233 [H][C@@]12CCc3ccc(OC)cc3C1OCCN2CCCC
BDBM50225234 [H][C@@]12CCc3ccc(O)cc3C1OCCN2C
BDBM50225235 [H][C@@]12CCc3ccccc3C1OCCN2CC
BDBM50225236 [H][C@@]12CCc3ccccc3C1OCCN2
BDBM50225237 [H][C@@]12CCc3ccc(OC)cc3C1OCCN2
BDBM50225238 [H][C@@]12CCc3cc(O)ccc3C1OCCN2CC
BDBM50225239 [H][C@@]12CCc3ccc(OC)cc3C1OCCN2CCC
BDBM50225240 [H][C@@]12CCc3ccc(O)cc3C1OCCN2CCC
BDBM50225251 [H][C@@]12CCc3c(O)cccc3C1OCCN2CC
BDBM50225248 [H][C@@]12CCc3ccc(O)cc3C1OCCN2
BDBM50225249 [H][C@@]12CCc3ccc(OC)cc3C1OCCN2C
BDBM50225250 [H][C@@]12CCc3ccccc3C1OCCN2CCC
BDBM50368742 COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC2CCCC1N2Cc1ccc(F)cc1 |r|
BDBM50368604 [H]C12CN3C[C@]1(NC(=O)c1cc(Cl)c(N)cc1OC)C2CC3 |r|
BDBM50387823 CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
BDBM50387827 CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
BDBM50408199 CN(C)C(=O)c1cnc2n(C)nc(C)c2c1NCCCN1CCN(CC1)c1ccccc1OCC(F)(F)F
BDBM50408216 CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1-c1ccccc1
BDBM50408236 COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
BDBM50408241 COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1
BDBM50403647 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccco1
BDBM50403649 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
BDBM50403651 COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1
BDBM50225292 Cc1csc(Cl)c1NC1=NCCN1 |t:9|
BDBM50225293 NC(=N)N\N=C\c1c(Cl)cccc1Cl
BDBM50225291 CNCC(O)c1cccc(NS(C)(=O)=O)c1
BDBM50225290 CN(C)C1CCc2c(C1)ccc(O)c2O
BDBM50421834 O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccc3ccccc3c2O1
BDBM50421835 O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@@H]1COc2ccccc2O1
BDBM50421836 O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@H]1COc2ccccc2O1
BDBM50421838 O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2c(O1)ccc1ccccc21
BDBM50070070 Cl.CCNc1ccc(NC(N)=N)cn1
BDBM50070075 Cl.CCNc1ccc(NC(N)=N)nc1
BDBM50070078 Cl.NC(=N)Nc1ccc(Cl)cn1
BDBM50070081 Cl.OCCNC1=NCc2ccccc2N1 |t:4|
BDBM50070098 Cl.N=C(NCc1ccco1)Nc1ccc2CCCCc2n1
BDBM50070109 Cl.C(NC1=NCc2ccccc2N1)c1ccco1 |t:2|
BDBM50155153 COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2 |TLB:14:15:19.20.18:22,13:14:20:17.18.22,THB:16:15:20:17.18.22,16:17:15.14.23:20,14:19:15.23.16:22,(-1.58,-4.14,;-1.58,-2.61,;-2.91,-1.83,;-4.24,-2.61,;-5.57,-1.83,;-6.92,-2.61,;-5.57,-.29,;-6.9,.48,;-4.24,.48,;-2.91,-.29,;-1.58,.49,;-1.59,2.04,;-.25,-.26,;1.08,.49,;2.43,-.26,;4.02,.44,;5.42,-.05,;6.33,1.04,;4.81,.48,;3.32,1.02,;3.25,2.53,;4.8,3.07,;6.26,2.56,;4.01,1.86,)|
BDBM50070119 Cl.N=C(Nc1ccccc1)Nc1ccc2CCCCc2n1
BDBM50070120 Cl.Cc1ccc(NC(=N)Nc2ccccc2)nc1
BDBM50070206 Cl.NC(=N)Nc1ccc(N)cn1
BDBM50070101 Cl.C1CN=C(Nc2ccc3CCCCc3n2)N1 |t:2|
BDBM50070102 Cl.C(NC1=NCc2cccnc2N1)c1ccc2OCOc2c1 |t:2|
BDBM50070100 Cl.C1CN=C(Nc2cnc3CCCCc3c2)N1 |t:2|
BDBM50070105 Cl.C(NC1=NCc2cccnc2N1)c1ccco1 |t:2|
BDBM50070372 Cl.CC1CN\C(C1)=N\c1cccc(Cl)c1C
BDBM50070108 Cl.CCCNC1=NCc2ccccc2N1 |t:4|
BDBM50070110 Cl.C1N=C(Nc2ccccc2)Nc2ccccc12 |t:1|
BDBM50070106 Cl.OCCNC1=NCc2cccnc2N1 |t:4|
BDBM50070071 Cl.NC(=N)Nc1cnc2CCCCc2c1
BDBM50070072 Cl.Cc1ccc(NC(N)=N)cn1
BDBM50070069 Cl.NC(=N)Nc1ccc(cn1)[N+]([O-])=O
BDBM50070073 Cl.NC(=N)Nc1ccc(Cl)nc1
BDBM50070074 Cl.NC(=N)Nc1cccnc1
BDBM50070076 Cl.NC(=N)Nc1ccc2CCCCc2n1
BDBM50070077 Cl.Cc1ccc(NC(N)=N)nc1
BDBM50067212 CNC[C@H](O)c1cccc(O)c1 |r|
BDBM50070099 Cl.CCNc1ccc(NC2=NCCN2)cn1 |t:8|
BDBM50070328 C1CC1C(NC1=NCCO1)C1CC1 |t:6|
BDBM50070329 Cc1ccc(F)c(c1)C1=NCCN1 |t:9|
BDBM50070330 NC1=NCC(COc2ccccc2Br)O1 |t:1|
BDBM50070357 CC1CC(NC(C2CC2)C2CC2)=NC1C |c:13|
BDBM50070361 CC1CC\C(N1)=N/c1cc(N=[N+]=[N-])c(I)cc1Cl
BDBM50070362 Cl.CC1CC\C(N1)=N/c1cccc(C)c1C
BDBM50070363 Cl.CC1CC\C(N1)=N/c1cccc(Cl)c1C
BDBM50070364 Cl.CC1CC\C(N1)=N\c1cccc2CCCc12
BDBM50070365 Cl.CC1CC\C(N1)=N\c1cccc2CCCCc12
BDBM50070366 Cl.CC1CC\C(N1)=N\c1ccc(Cl)c2CCCc12
BDBM50070368 Cl.CC1CN\C(C1)=N\c1cccc(C)c1C
BDBM50070373 Cl.CC1CN\C(C1)=N/c1cccc2CCCc12
BDBM50070374 Cl.CC1CN\C(C1)=N/c1ccc(Cl)c2CCCc12
BDBM50070375 Cl.CC1CN\C(C1)=N/c1ccc(C)c2CCCc12
BDBM50031373 O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
BDBM50070079 Cl.NC(=N)Nc1ccc(Br)cn1
BDBM50070080 Cl.NC(=N)Nc1ccccn1
BDBM50070111 Cl.CCCNC(=N)Nc1ccc(C)cn1
BDBM50070112 Cl.CCCNC(=N)Nc1ccc(Cl)cn1
BDBM50070113 Cl.Cc1ccc(NC(=N)NCc2ccco2)nc1
BDBM50070115 Cl.N=C(NCc1ccco1)Nc1ccccn1
BDBM50070116 Cl.CCONC(=N)Nc1ccc2CCCCc2n1
BDBM50070118 Cl.CCONC(=N)Nc1ccccn1
BDBM50070121 Cl.N=C(Nc1ccccc1)Nc1ccccn1
BDBM50070122 Cl.C1CN=C(Nc2cccnc2)N1 |t:2|
BDBM50070123 Cl.CCNc1ccc(NC2=NCCN2)nc1 |t:8|
BDBM50070124 Cl.Cc1ccc(NC2=NCCN2)nc1 |t:6|
BDBM50070204 Cl.Clc1ccc(NC2=NCCN2)nc1 |t:6|
BDBM50070205 Cl.C1CN=C(Nc2ccccn2)N1 |t:2|
BDBM50070117 Cl.Cc1ccc(NC(=N)NCCO)nc1
BDBM215800 CC1CN=C(C1)Nc1cccc(Cl)c1C |c:3|
BDBM215801 CC1CCC(Nc2cccc3CCCc23)=N1 |c:16|
BDBM215802 CC1CN=C(C1)Nc1ccc(Cl)c2CCCc12 |c:3|
BDBM215803 CC1CN=C(C1)Nc1ccc(C)c2CCCc12 |c:3|
BDBM215804 CC1CCC(Nc2ccccc2Cl)=N1 |c:13|
BDBM215805 CC1CCC(Nc2ccc(Cl)c3CCCc23)=N1 |c:17|
BDBM50101815 COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9|
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM50212465 COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2 |TLB:12:13:20:18.17|
BDBM50213027 C1CN=C(Nc2ccc3NCCNc3c2)N1 |t:2|
BDBM50213028 Brc1c(NC2=NCCN2)ccc2NCCNc12 |t:4|
BDBM50213029 C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|
BDBM50213213 [#6]-c1ccccc1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50213214 C1CN=C(Nc2ccc3OCCOc3c2)N1 |t:2|
BDBM50213215 CN\C(Nc1ccc2nccnc2c1Br)=N/C
BDBM50213216 NC(=N)Nc1ccc2nccnc2c1Br
BDBM50217345 C[C@H]1Cc2ccc(Cl)c(Cl)c2CN1
BDBM50217384 Brc1ccc2CCCNCc2c1
BDBM50217341 CSc1ccc2CCCNCc2c1
BDBM50217386 CS(=O)(=O)c1ccc2CCCNCc2c1
BDBM50218562 COc1ccccc1N1CCN(CCCOc2ccc3SCC(=O)Nc3c2)CC1
BDBM50218564 COc1ccccc1N1CCN(CCOc2ccc3SCC(=O)Nc3c2)CC1
BDBM50218566 COc1ccccc1N1CCN(CCCOc2cccc3NC(=O)CSc23)CC1
BDBM50218567 COc1ccccc1N1CCN(CCOc2cccc3NC(=O)CSc23)CC1
BDBM50217340 C[C@@H]1Cc2ccc(Cl)c(Cl)c2CN1
BDBM50217343 COC(=O)Nc1ccc2CCNCc2c1
BDBM50217346 C[C@@H](N)c1ccc(Cl)c(Cl)c1
BDBM50217382 OC(=O)c1ccc2CCNCc2c1
BDBM50217389 C[C@@H]1CCc2ccc(Cl)c(Cl)c2CN1
BDBM50218563 COc1ccccc1N1CCN(CCOc2ccc3NC(=O)CSc3c2)CC1
BDBM50217339 Nc1ccc2CCCNCc2c1
BDBM50217387 [O-][N+](=O)c1ccc2CCCCNCc2c1
BDBM50217344 C[C@H](N)c1ccc(Cl)c(Cl)c1
BDBM50217342 NS(=O)(=O)c1ccc2CCCNCc2c1
BDBM50217380 [O-][N+](=O)c1cc2CNCCc2c(c1)[N+]([O-])=O
BDBM50217381 C[C@H]1CCc2ccc(Cl)c(Cl)c2CN1
BDBM50217385 C[C@H]1Cc2sc3ccccc3c2CN1
BDBM50217383 [O-][N+](=O)c1ccc2CCCNCc2c1
BDBM50217388 CN1CCCCc2ccccc2C1
BDBM50217390 NCc1ccc2CCNCc2c1
BDBM50217391 [O-][N+](=O)c1cc2CNCCCc2c(c1)[N+]([O-])=O
BDBM50217392 NS(=O)(=O)c1ccc2C[C@H](NCc2c1)C(F)(F)F
BDBM50219331 C1CNC2Cc3ccccc3CC2C1
BDBM50219332 COc1cccc2CC3NCCCC3Cc12
BDBM50223426 [H][C@@](C)(N)[C@]([H])(O)c1ccc(O)c(O)c1 |r|
BDBM50228616 Cl.Cl.CCC1N(CC2=NCCN2)CCc2ccccc12 |t:5|
BDBM50228617 Cl.Cl.C=CCC1N(CC2=NCCN2)CCc2ccccc12 |t:6|
BDBM50228619 Cl.Cl.CC1(C)N(CC2=NCCN2)CCc2ccccc12 |t:5|
BDBM50228620 Cl.Cl.COc1cccc2CN(CC3=NCCN3)CCc12 |t:10|
BDBM50228624 Cl.Cl.CC1N(CC2=NCCN2)CCc2ccccc12 |t:4|
BDBM50228626 Cl.Cl.Clc1ccc2CN(CC3=NCCN3)CCc2c1 |t:8|
BDBM50228627 Cl.Cl.COc1ccc(OC)c2C(C)N(CC3=NCCN3)CCc12 |t:13|
BDBM50225305 Clc1cccc2CCN(CC=C)CCc12
BDBM50225306 C=CCOc1ccc2CCNCCc2c1
BDBM50225307 CN1CCc2c(Cl)ccc(OCC=C)c2CC1
BDBM50225308 CN1CCc2cccc(OCC=C)c2CC1
BDBM50228628 Cl.Cl.COc1ccc2CN(CC3=NCCN3)CCc2c1OC |t:9|
BDBM50228630 Cl.Cl.COc1ccc(OC)c2CN(CC3=NCCN3)CCc12 |t:12|
BDBM50228631 Cl.Cl.C(N1CCc2ccccc2C1)C1=NCCN1 |t:13|
BDBM50228632 Cl.Cl.COc1cc2CCN(CC3=NCCN3)Cc2c(OC)c1 |t:9|
BDBM50228633 Cl.Cl.COc1cc2CCN(CC3=NCCN3)Cc2cc1OC |t:9|
BDBM50228634 Cl.Cl.CC1N(CC2=NCCN2)CCc2c(Cl)cccc12 |t:4|
BDBM50228635 Cl.Cl.Clc1cccc2CCN(CC3=NCCN3)Cc12 |t:10|
BDBM50228637 Cl.Cl.CC1Cc2ccccc2CN1CC1=NCCN1 |t:14|
BDBM50228638 Cl.Cl.Clc1ccc(Cl)c2CN(CC3=NCCN3)CCc12 |t:10|
BDBM50228639 Cl.Cl.Fc1cccc2CCN(CC3=NCCN3)Cc12 |t:10|
BDBM50230848 COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3Cl)CN12 |t:2,11|
BDBM50230851 CN1C(=O)N2CC(CN3CCN(CC3)c3ccccc3Cl)N=C2c2ccccc12 |c:23|
BDBM50230854 O=C1Nc2ccccc2C2=NC(CN3CCC(Cc4ccccc4)CC3)CN12 |t:10|
BDBM50225326 CN(C)CC1Cc2c1ccc(O)c2O
BDBM50225327 CNCC1CCc2c1ccc(O)c2O
BDBM50225328 CCCN(CCC)CC1CCCc2cc(O)c(O)cc12
BDBM50225329 CNCC1CCCc2cc(O)c(O)cc12
BDBM50225331 NCC1CCCCc2cc(O)c(O)cc12
BDBM50225332 CCCN(CCC)CC1CCc2c1ccc(O)c2O
BDBM50225333 CN(C)CC1CCCc2c(O)c(O)ccc12
BDBM50225334 CN(C)CC1CCc2c1ccc(O)c2O
BDBM50225336 CC(C)NCC1CCc2c1ccc(O)c2O
BDBM50225337 NCC1CCc2cc(O)c(O)cc12
BDBM50225338 NCC1CCCCc2c(O)c(O)ccc12
BDBM50225340 CN(C)CC1CCc2cc(O)c(O)cc12
BDBM50225341 NCC1Cc2cc(O)c(O)cc12
BDBM50225342 NC(O)c1ccc(O)c(O)c1
BDBM50225343 NCC1CCc2c1ccc(O)c2O
BDBM50225344 CC(C)NCC1CCCc2cc(O)c(O)cc12
BDBM50225345 CCCN(CCC)CC1CCCc2c(O)c(O)ccc12
BDBM50225346 CCCN(CCC)CC1CCc2cc(O)c(O)cc12
BDBM50225347 CNCC1CCCc2c(O)c(O)ccc12
BDBM50225348 CN(C)CC1CCCc2cc(O)c(O)cc12
BDBM50225351 CCNCC1CCCc2c(O)c(O)ccc12
BDBM50225352 CCN(CC)CC1CCc2c1ccc(O)c2O
BDBM50225355 CC(C)NCC1CCc2cc(O)c(O)cc12
BDBM50225357 CC(C)NCC1CCCc2c(O)c(O)ccc12
BDBM50225361 [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC
BDBM50225362 [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC
BDBM50230870 CSC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3Cl)CN12 |t:2,11|
BDBM50222047 COc1ccc(cc1)-c1cccc(NC2=NCCN2)c1C |t:15|
BDBM50222048 Cl.CC(=O)c1cccc(c1)-c1cccc(NC2=NCCN2)c1C |t:16|
BDBM50222049 Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C(F)(F)F |t:4|
BDBM50222050 COc1ccc(c(OC)c1)-c1cccc(NC2=NCCN2)c1C |t:17|
BDBM50222051 Cc1c(NC2=NCCN2)cccc1-c1ccsc1 |t:4|
BDBM50222053 Cc1cccc(c1)-c1cccc(NC2=NCCN2)c1C |t:14|
BDBM50222054 CC(C)c1cccc(c1)-c1cccc(NC2=NCCN2)c1C |t:16|
BDBM50223742 C1CN2CCc3c([nH]c4ccccc34)C2=N1 |c:17|
BDBM50223899 NCc1c[nH]c2ccccc12
BDBM50226921 Cl.CC1=C(CC2=NCCCN2)CCc2ccccc12 |c:1,t:4|
BDBM50225289 Cn1cc2c(NC3=NCCN3)cccc2n1 |t:6|
BDBM50228621 Cl.Cl.Clc1ccc2CN(CC3=NCCN3)CCc2c1Cl |t:8|
BDBM50228622 Cl.Cl.[O-][N+](=O)c1cccc2CN(CC3=NCCN3)CCc12 |t:11|
BDBM50228623 Cl.Cl.Cc1cccc2CN(CC3=NCCN3)CCc12 |t:9|
BDBM50225302 CN(C)CC1OCc2c1ccc(O)c2O
BDBM50225476 [H][C@]12C[C@H](CSC)CN(CCC)[C@]1([H])Cc1cccc(O)c1C2
BDBM50225294 Oc1ccc(NC2=NCCN2)cc1O |t:6|
BDBM50228618 Cl.Cl.Clc1ccc2CCN(CC3=NCCN3)Cc2c1Cl |t:9|
BDBM50228625 Cl.Cl.Clc1cccc2CN(CC3=NCCN3)Cc12 |t:9|
BDBM50223655 COc1cc2CCCOC(CCN3CCN(CC3)c3ccc(F)cc3)c2cc1OC
BDBM50230850 Clc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:16|
BDBM50228636 Cl.Cl.Clc1cccc2CN(CC3=NCCN3)CCc12 |t:9|
BDBM50226153 Br.Oc1ccc2C(CCc2c1O)C1=NCCN1 |t:13|
BDBM50226154 Br.Oc1ccc2C(CCCCc2c1O)C1=NCCN1 |t:15|
BDBM50226155 Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14|
BDBM50227369 COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)Nc1ccccc1
BDBM50227371 COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1ccccc1
BDBM50227372 COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)N(C)C
BDBM50230844 COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2N=C3SC)CC1 |c:17,27|
BDBM50227383 Cl.CN1C(Cc2c1cccc2Cl)C1=NCCN1 |t:13|
BDBM50225303 CNCC1OCc2c1ccc(O)c2O
BDBM50225304 CCCN(CCC)CC1OCc2c1ccc(O)c2O
BDBM50225442 NCC1OCc2cc(O)c(O)cc12
BDBM50225443 NCC1OCc2c1ccc(O)c2O
BDBM50225330 NCC1CCCc2cc(O)c(O)cc12
BDBM50225335 NCC1CCCc2c(O)c(O)ccc12
BDBM50225339 NCC1Cc2c1ccc(O)c2O
BDBM50225350 CCNCC1CCc2c1ccc(O)c2O
BDBM50225354 CCN(CC)CC1CCCc2c(O)c(O)ccc12
BDBM50224806 O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1
BDBM50226922 Cl.CC1CN=C(CC2=C(C)c3ccccc3CC2)N1 |c:6,t:3|
BDBM50226923 Cl.[H][C@]1(CC2=NCCN2)CCc2ccccc2[C@@H]1C |r,t:3|
BDBM50226924 Cl.CC1=C(CC2=NCCN2)Cc2ccccc12 |c:1,t:4|
BDBM50226925 Cl.CN1CCN=C1CC1=C(C)c2ccccc2CC1 |c:4,8|
BDBM50226927 Cl.C(C1=Cc2ccccc2C1)C1=NCCN1 |t:1,12|
BDBM50228629 Cl.Cl.C(N1Cc2ccccc2C1)C1=NCCN1 |t:12|
BDBM50230867 COc1cccc(c1)N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16|
BDBM50228706 Cl.C=CCN1CCc2cccc3CCCC(C1)c23
BDBM50226928 Cl.CC(C1=NCCN1)C1=Cc2ccccc2CC1 |t:2,8|
BDBM50226929 Cl.CC1=C(CC2=NCCN2)CCc2ccccc12 |c:1,t:4|
BDBM50226930 CC1=C(Cc2ncc[nH]2)CCc2ccccc12 |c:1|
BDBM50226932 Cl.Cc1c(CC2=NCCN2)ccc2ccccc12 |t:4|
BDBM50226937 C(N1C(Cc2ccccc12)C1=NCCN1)c1ccccc1 |t:12|
BDBM50222055 Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1 |t:4|
BDBM50222056 COc1cccc(c1)-c1cccc(NC2=NCCN2)c1C |t:15|
BDBM50222081 Cc1c(NC2=NCCN2)cccc1-c1cccnc1 |t:4|
BDBM50222082 Cl.Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C#N |t:4|
BDBM50222083 Cc1c(NC2=NCCN2)cccc1-c1cccc(F)c1 |t:4|
BDBM50226938 CN1C(Cc2ccccc12)C1=NCCN1 |t:12|
BDBM50226939 CCN1C(Cc2ccccc12)C1=NCCN1 |t:13|
BDBM50226940 C(Cc1ccccc1)N1C(Cc2ccccc12)C1=NCCN1 |t:20|
BDBM50226941 [H][C@]1(C)c2ccccc2N(C)[C@]1([H])C1=NCCN1 |t:15|
BDBM50226943 CN1c2ccccc2C[C@@]1(C)C1=NCCN1 |t:13|
BDBM50226944 CSC[C@]1(Cc2ccccc2N1C)C1=NCCN1 |t:15|
BDBM50226945 CN1C(CCc2ccccc12)C1=NCCN1 |t:13|
BDBM50226946 CC(C)N(C[C@]1(Cc2ccccc2N1C)C1=NCCN1)C(C)C |t:17|
BDBM50226947 CCCCN1C(Cc2ccccc12)C1=NCCN1 |t:15|
BDBM50226948 CCC[C@]1(Cc2ccccc2N1C)C1=NCCN1 |t:15|
BDBM50226949 C=CCN1C(Cc2ccccc12)C1=NCCN1 |t:14|
BDBM50226950 CN1C(Cc2cc(Cc3ccccc3)ccc12)C1=NCCN1 |t:20|
BDBM50226953 [H][C@@]1(C)Cc2ccccc2N(C)[C@]1([H])C1=NCCN1 |t:16|
BDBM50226954 CN(CC1=NCCN1)c1ccccc1 |t:3|
BDBM50226955 C1CN=C(N1)C1CCc2ccccc2N1 |c:2|
BDBM50226957 CCOCCN1C(Cc2ccccc12)C1=NCCN1 |t:16|
BDBM50226958 COC[C@]1(Cc2ccccc2N1C)C1=NCCN1 |t:15|
BDBM50226960 C1CN=C(N1)C1Cc2ccccc2N1 |c:2|
BDBM50226961 CCCN1C(Cc2ccccc12)C1=NCCN1 |t:14|
BDBM50226962 CN1C(Cc2cccc(Cl)c12)C1=NCCN1 |t:13|
BDBM50226964 C1CN=C(N1)C1Cc2ccccc2N1c1ccccc1 |c:2|
BDBM50226966 Cn1c(cc2ccccc12)C1=NCCN1 |t:12|
BDBM50226801 Oc1ccc2[C@@H](CCCc2c1O)C1=NCCN1 |t:14|
BDBM50226802 Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14|
BDBM50226812 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCOc1ccccc1
BDBM50226813 CCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50226814 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCc1ccccc1
BDBM50230853 COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2N(C)C3=O)CC1 |c:17|
BDBM50230871 COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3)CN12 |t:2,11|
BDBM50228237 Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:29,t:26|
BDBM50228238 CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:29,t:26|
BDBM50228239 Cl.CO\C(O)=C1\[C@@H](C(C(=O)OCCN(C)C[C@@H]2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |r,c:29,t:26|
BDBM50228240 CO\C(O)=C1\C(C(C(=O)OCCN2CCC(CC2)n2c(O)nc3ccccc23)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:33,t:30|
BDBM50228242 Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)C(C)COc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:27,t:24|
BDBM50228243 Cl.CC(C)O\C(O)=C1\C(C(C(=O)OC(C)CN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:32,t:29|
BDBM50226156 Br.Oc1ccc2C(Cc2c1O)C1=NCCN1 |t:12|
BDBM50228244 Cl.CO\C(O)=C1\C(C(C(=O)OC(C)CN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:30,t:27|
BDBM50228640 Cl.Cl.Fc1cccc2CN(CC3=NCCN3)CCc12 |t:9|
BDBM50228641 Cl.Nc1cccc2CN(CC3=NCCN3)CCc12 |t:9|
BDBM50230866 COc1cccc(c1)N1CCN(CC2CN3C(=N2)c2ccccc2N=C3SC)CC1 |c:17,27|
BDBM50228642 CN1CCc2c(Cl)ccc3CCCCC(C1)c23
BDBM50228675 Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2cccc3CCCC(C1)c23
BDBM50228682 Cl.CN1CCc2cccc3CCCC(C1)c23
BDBM50228685 Br.CN1CCc2c3C(CCc3ccc2Cl)C1
BDBM50228693 Cl.[H][C@]12CCCc3cccc(CCN(C)C1)c23 |r|
BDBM50228701 Br.CN1CCc2c(Cl)ccc3[nH]cc(C1)c23
BDBM50228643 Cl.C1CC2CNCCc3cccc(C1)c23
BDBM50228644 Br.CN1CCc2ccc(Cl)c3CCCCC(C1)c23
BDBM50228678 Cl.COc1ccc2CCCC3CN(C)Cc1c23
BDBM50228679 Clc1ccc2CCCC3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CCc1c23
BDBM50228680 [H][C@@]12CCCc3ccc(Cl)c(CCN(C)C1)c23
BDBM50228681 Cl.CCN1CCc2cccc3CCCC(C1)c23
BDBM50229848 Cl.[H][C@@]12CC[C@@H](N1CCCC2)c1ccccc1Br |r|
BDBM50228683 CCCN1CCc2c(Cl)ccc3CCCC(C1)c23
BDBM50228684 Cl.COc1ccc2CCCC3CN(CC=C)CCc1c23
BDBM50228686 [H][C@]12CCCc3ccc(Cl)c(CCN(C)C1)c23
BDBM50228687 Cl.CN1CCc2cccc3CCCCC(C1)c23
BDBM50228688 CN1CCc2ccc(Cl)c3CCCC(C1)c23
BDBM50228689 CN1CCc2ccc(Cl)c3CCC(C1)c23
BDBM50228690 CCN1CCc2c(Cl)ccc3CCCC(C1)c23
BDBM50228691 Cl.[H][C@@]12CCCc3cccc(CCN(C)C1)c23 |r|
BDBM50228692 Br.COc1ccc2CCC3CN(C)CCc1c23
BDBM50228694 Cl.CN1CCc2c(OCC=C)ccc3CCCC(C1)c23
BDBM50228695 Clc1ccc2CCCC3CN(CC=C)CCc1c23
BDBM50228696 Cl.COc1ccc2CCCC3CN(C)CCc1c23
BDBM50228697 Cl.CN1CCc2c(O)ccc3CCCC(C1)c23
BDBM50228698 Cl.CN1CCc2c[nH]c3cccc(C1)c23
BDBM50228699 CN1CCc2c(Cl)ccc3CCCC(C1)c23
BDBM50228700 Br.CN1CCc2cccc3CCC(C1)c23
BDBM50228702 [H][C@@]12CCCc3c(Cl)ccc(CCN(C)C1)c23
BDBM50228704 Cl.COc1ccc2CCCC3CCN(C)Cc1c23
BDBM50228705 Cl.CCCN1CCc2cccc3CCCC(C1)c23
BDBM50230388 Cl.C(c1ncc[nH]1)c1cccc2ccccc12
BDBM50230389 Cl.CC(c1c[nH]cn1)c1cccc2ccccc12
BDBM50230390 Cl.CC(c1c[nH]cn1)c1cccc(C)c1C
BDBM50230391 OC(=O)C(O)=O.CC(c1ncc[nH]1)c1ccc2ccccc2c1
BDBM50230392 Cl.CC(c1ncc[nH]1)c1cccc2ccccc12
BDBM50228707 Cl.C(Cc1ccccc1)N1CCc2cccc3CCCC(C1)c23
BDBM50228708 [H][C@]12CCCc3c(Cl)ccc(CCN(C)C1)c23
BDBM50230872 O=C1Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3)CN12 |t:10|
BDBM50230846 CN1C(=O)N2C(CN3CCN(CC3)c3ccccc3Cl)CN=C2c2ccccc12 |c:23|
BDBM50230847 Clc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:15|
BDBM50228316 COc1ccc2C3CC4C(CCCN4S(C)(=O)=O)CN3CCc2c1
BDBM50227792 COc1ccccc1CNCCCCCCCNCCSSCCNCCCCCCCNCc1ccccc1OC
BDBM50227793 COc1ccccc1CNCCCCCNCCSSCCNCCCCCNCc1ccccc1OC
BDBM50227794 COc1ccccc1CNCCCCCCCCNCCSSCCNCCCCCCCCNCc1ccccc1OC
BDBM50225886 CNCC(O)c1ccc(F)c(O)c1
BDBM50225887 CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15|
BDBM50225888 CC1(COc2ccccc2O1)C1=NCCN1 |t:13|
BDBM50229075 [H][C@@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
BDBM50229076 [H][C@@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3c1[nH]c1ccccc31)C2)S(C)(=O)=O
BDBM50229077 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc4OCCOc4cc13)C2)S(C)(=O)=O
BDBM50229078 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccc(F)cc13)C2)S(C)(=O)=O
BDBM50229079 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CC(C)C
BDBM50229080 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)c1ccc(OC)cc1
BDBM50229081 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cccc(OC)c13)C2)S(C)(=O)=O
BDBM50229121 [H][C@@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc4OCOc4cc13)C2)S(C)(=O)=O
BDBM50229134 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)N(C)C
BDBM50229142 [H][C@]12CCCN([C@@]1([H])CCN(CCc1ccccc1)C2)S(C)(=O)=O
BDBM50229143 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc4OCOc4cc13)C2)S(C)(=O)=O
BDBM50229144 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)c1ccc(Cl)cc1
BDBM50229145 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3c(OC)c(OC)ccc13)C2)S(C)(=O)=O
BDBM50230857 COc1cc2NC(=O)N3CC(CN4CCN(CC4)c4ccccc4)N=C3c2cc1OC |c:26|
BDBM50230858 Fc1ccc(cc1)N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:16|
BDBM50230859 COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3OC)CN12 |t:2,11|
BDBM50229146 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CC
BDBM50229147 [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc4OCOc4cc13)C2)S(C)(=O)=O
BDBM50229148 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)CC(C)C
BDBM50229150 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)N(C)C
BDBM50229152 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(C)ccc13)C2)S(C)(=O)=O
BDBM50229155 [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)N(C)C
BDBM50229156 [H][C@@]12CCCN([C@]1([H])C[C@@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
BDBM50230861 COc1ccccc1N1CCN(CC2CN=C3N2C(=O)N(C)c2ccccc32)CC1 |c:16|
BDBM50230865 O=C1Nc2ccccc2C2=NC(CN3CCN(Cc4ccccc4)CC3)CN12 |t:10|
BDBM50230874 O=C1Nc2ccccc2C2=NCC(CN3CCN(CC3)c3ccccc3)N12 |t:10|
BDBM50229157 [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3c(Br)c(OC)ccc13)C2)S(C)(=O)=O
BDBM50229158 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3c(OC)ccc(OC)c13)C2)S(C)(=O)=O
BDBM50229179 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
BDBM50225740 Cc1cc2c(CCC(CN[C@H]3CC[C@@H](Oc4ccccc4)[C@H]3O)C2=O)s1
BDBM50225741 Cc1cc2c(CCC(CN[C@@H]3CC[C@@H](Oc4ccccc4)[C@H]3O)C2=O)s1 |r|
BDBM50225742 Cl.Cc1cc2c(CCC(CN[C@@H]3CC[C@@H](Oc4ccccc4)[C@@H]3O)C2=O)s1 |r|
BDBM50225743 Cc1cc2c(CCC(CN[C@H]3CC[C@@H](Oc4ccccc4)[C@@H]3O)C2=O)s1
BDBM50229153 [H][C@@]12C[C@]3([H])C([C@@H](O)CC[C@]3([H])CN1CC1C2Nc2ccccc12)C(=O)OC
BDBM50229159 [H][C@@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(C)(=O)=O
BDBM50225285 Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
BDBM50225286 Cc1cccc(C)c1NC1=NCCCS1 |t:10|
BDBM50225287 FC(F)(F)c1ccc(Cl)c(NC2=NCCN2)c1 |t:11|
BDBM50226926 Cl.[H][C@]1(CC2=NCCN2)CCc2ccccc2[C@H]1C |r,t:3|
BDBM50226931 Cl.CCN1CCN=C1CC1=C(C)c2ccccc2CC1 |c:5,9|
BDBM50226942 [H][C@@]1(C)c2ccccc2N(C)[C@]1([H])C1=NCCN1 |t:15|
BDBM50222052 Cc1c(NC2=NCCN2)cccc1-c1cccs1 |t:4|
BDBM50227384 CCN1C(Cc2c1cccc2Cl)C1=NCCN1 |t:14|
BDBM50228317 [H][C@@]12CCCN([C@@]1([H])C[C@@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
BDBM50228318 [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
BDBM50226312 CSc1c(Cl)nc(nc1NC(C)C)N1CCNCC1
BDBM50226313 CC(C)Nc1nc(nc(Cl)c1Br)N1CCN(C)CC1
BDBM50226314 CC(C)Nc1nc(nc(Cl)c1C)N1CCNCC1
BDBM50226316 COc1c(Cl)nc(nc1NC(C)C)N1CCN(C)CC1
BDBM50226317 CSc1c(Cl)nc(nc1NCCc1ccccc1)N1CCN(C)CC1
BDBM50226318 CSc1c(N)nc(nc1Cl)N1CCN(C)CC1
BDBM50226319 CNc1cc(Cl)nc(n1)N1CCN(C)CC1
BDBM50226320 CNc1nc(nc(Cl)c1Cl)N1CCN(C)CC1
BDBM50226321 CSc1c(Cl)nc(nc1NC1CCCC1)N1CCN(C)CC1
BDBM50226323 CSc1c(Cl)nc(nc1NCc1ccccc1)N1CCN(C)CC1
BDBM50226324 CNc1nc(nc(Cl)c1OC)N1CCN(C)CC1
BDBM50226325 CSc1c(Cl)nc(nc1NC1CCCCC1)N1CCN(C)CC1
BDBM50226326 CC(C)Nc1nc(nc(Cl)c1C)N1CCN(C)CC1
BDBM50226327 COc1c(Cl)nc(nc1NC1CCCC1)N1CCN(C)CC1
BDBM50226328 CN1CCN(CC1)c1nc(Cl)c(Br)c(NC2CCCC2)n1
BDBM50226329 CC(C)Nc1cc(Cl)nc(n1)N1CCN(C)CC1
BDBM50226330 CNc1nc(nc(Cl)c1SC)N1CCN(C)CC1
BDBM50226331 CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1
BDBM50226332 CC(C)Nc1nc(nc(Cl)c1Cl)N1CCN(C)CC1
BDBM50226333 CN1CCN(CC1)c1nc(N)c(Cl)c(Cl)n1
BDBM50226334 CN1CCN(CC1)c1nc(N)c(Br)c(Cl)n1
BDBM50226336 CCNc1nc(nc(Cl)c1SC)N1CCN(C)CC1
BDBM50226337 CSc1c(Cl)nc(nc1Nc1ccccc1)N1CCN(C)CC1
BDBM50222012 COc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl
BDBM50222044 CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1
BDBM50222045 CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
BDBM50222046 COc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
BDBM50229139 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCOC
BDBM50229151 [H][C@]1(CCN2CCc3ccccc3[C@]2([H])C1)N(C)S(=O)(=O)CC(C)C
BDBM50229149 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)c1ccccc1
BDBM50229137 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)c1ccc(F)cc1
BDBM50229138 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)c1ccc(N)cc1
BDBM50229140 [H][C@@]12CCN(C[C@]1([H])CN1CCc3ccccc3[C@]1([H])C2)S(C)(=O)=O
BDBM50229160 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCC
BDBM50229161 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(N)(=O)=O
BDBM50229162 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)CCOC
BDBM50229164 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)c(OC)cc13)C2)S(=O)(=O)CC(C)C
BDBM50226952 CN1c2ccccc2C[C@@]1(CC=C)C1=NCCN1 |t:15|
BDBM50229165 [H][C@@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
BDBM50229166 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCO
BDBM50229167 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)NC(C)(C)C
BDBM50229168 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(O)ccc13)C2)S(C)(=O)=O
BDBM50229169 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3c1[nH]c1ccccc31)C2)S(C)(=O)=O
BDBM50229170 [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)Cc1ccccc1
BDBM50229171 [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCCC
BDBM50229172 [H][C@@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(C)(=O)=O
BDBM50229175 [H][C@@]12CCCN([C@]1([H])C[C@]([H])(N(C)C2)c1ccc2OCOc2c1)S(C)(=O)=O
BDBM50229177 [H][C@@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCCC
BDBM50229178 [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)c1cccs1
BDBM50230395 Cl.CC(C1=NCCN1)c1ccc2ccccc2c1 |t:2|
BDBM50226959 [H][C@@]1(C)Cc2ccccc2N[C@]1([H])C1=NCCN1 |t:15|
BDBM50226963 CN1C(CC2=NCCN2)Cc2ccccc12 |t:4|
BDBM50226956 CN1C(Cc2cc(Cl)cc(Cl)c12)C1=NCCN1 |t:14|
BDBM50226965 CN1C(Cc2cc(Cl)ccc12)C1=NCCN1 |t:13|
BDBM50226967 Cn1c(CC2=NCCN2)cc2ccccc12 |t:4|
BDBM50229176 [H][C@]12CCN(C[C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(C)(=O)=O
BDBM50229174 [H][C@@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCCC
BDBM50229163 [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)c(Br)cc13)C2)S(C)(=O)=O
BDBM50229173 [H][C@]12CCN3CCc4cc5OCOc5cc4[C@]3([H])[C@]1([H])CCCN2S(C)(=O)=O