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551 SMILES Strings for Microtubule-associated protein tau

Compound NameSMILES String
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM17747 CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM26655 Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
BDBM32299 CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
BDBM47032 Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
BDBM108083 [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50065315 CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
BDBM50070942 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
BDBM50129793 CNc1ccc(cc1)-c1nc2ccc(O)cc2s1
BDBM50157562 Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
BDBM50163748 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
BDBM50163745 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
BDBM50185987 [#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N
BDBM50241461 CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|
BDBM50313661 CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
BDBM50313696 CCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(cc12)-c1ccccc1
BDBM50340902 Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
BDBM50398200 CN(C)c1ccc(\C=C\c2cc(c(\C=C\c3ccc(cc3)N(C)C)nn2)-c2ccccc2F)cc1
BDBM50398201 COc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)N(C)C)nnc1\C=C\c1ccc(cc1)N(C)C
BDBM50398202 C1CN(CCO1)c1ccc(\C=C\c2cc(c(\C=C\c3ccc(cc3)N3CCOCC3)nn2)-c2ccccc2)cc1
BDBM50398203 CN(C)c1ccc(\C=C\C=C\c2cc(\C=C\C=C\c3ccc(cc3)N(C)C)ncn2)cc1
BDBM50398204 C1CCN(C1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCCC3)ncn2)cc1
BDBM50398205 C1CCN(CC1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCCCC3)ncn2)cc1
BDBM50398206 CN1CCN(CC1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCN(C)CC3)ncn2)cc1
BDBM50398207 CN(C)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N(C)C)ncn2)cc1
BDBM50398208 CN1CCN(CC1)c1ccc(\C=C\c2cnc(\C=C\c3ccc(cc3)N3CCN(C)CC3)cn2)cc1
BDBM50398209 C1CN(CCO1)c1ccc(\C=C\c2cnc(\C=C\c3ccc(cc3)N3CCOCC3)cn2)cc1
BDBM50398210 COc1ccc(\C=C\c2cnc(\C=C\c3ccc(OC)cc3)cn2)cc1
BDBM50398211 COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1
BDBM50390104 CN(C)c1ccc(C=C2C(=O)Nc3ccc(I)cc23)cc1
BDBM50390103 CNc1ccc(C=C2Nc3ccc(I)cc3C2=O)cc1 |w:6.5|
BDBM50390105 CNc1ccc(C=C2C(=O)Nc3ccc(I)cc23)cc1
BDBM610472 Fc1cc(N2CCC(F)(F)CC2)c(NC(=O)c2ccnn3cc(nc23)-c2ccccc2)cn1
BDBM50390102 CN(C)c1ccc(\C=C2/Nc3ccc(I)cc3C2=O)cc1
BDBM50384537 CN(C)c1ccc(cc1)\N=N\c1nc2ccc(I)cc2s1
BDBM50384538 CN(C)c1ccc(cc1)\N=N\c1nc2ccc(OCCOCCOCCF)cc2s1
BDBM50393081 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(c3)-c3ccccc3C#N)c2c1
BDBM50393082 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(cc3)-c3cccc(c3)C#N)c2c1
BDBM50393083 Clc1ccc2[nH]cc(CCNC(=O)c3ccccc3-c3ccc(cc3)C#N)c2c1
BDBM50391730 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O
BDBM50400616 Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2n1C
BDBM610460 FC1CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610461 FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610462 O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(nc12)-c1ccccc1
BDBM610478 CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccc(cc1)C(F)(F)F
BDBM610479 O=C(Nc1cnccc1N1CCCCC1)c1ccnn2ccnc12
BDBM610475 COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCC(F)(F)CC3)c2n1
BDBM610476 COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCOC(C)C3)c2n1
BDBM610477 FC(F)(F)c1ccc(cc1)-c1cn2nccc(C(=O)Nc3cnccc3N3CCOCC3)c2n1
BDBM610480 FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2ccnc12
BDBM610481 CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2ccnc12
BDBM610482 Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1
BDBM610483 FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1
BDBM610468 C[C@@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
BDBM610469 C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
BDBM610486 FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1=CCCCC1 |t:30|
BDBM610487 CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1=CCCCC1 |t:29|
BDBM610489 CCOc1ncncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610490 FC(F)(F)COc1ncncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610484 CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1
BDBM610485 Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnn2cc(nc12)C1=CCCCC1 |t:29|
BDBM610450 O=C(Nc1cccnc1)c1ccnn2cc(nc12)-c1ccccc1
BDBM610451 Cc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610452 CC(C)Oc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610495 O=C(Nc1cnccc1-c1ccccc1)c1ccnn2c(NCC3CC3)cnc12
BDBM610491 O=C(Nc1cccnc1)c1ccnn2c(NCC3CC3)cnc12
BDBM610492 Cc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
BDBM610494 CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
BDBM610496 FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
BDBM610497 O=C(Nc1cnccc1N1CCOCC1)c1ccnn2c(NCC3CC3)cnc12
BDBM610498 CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
BDBM610499 CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NC(=O)C3CC3)cnc12
BDBM610457 O=C(Nc1cnccc1-c1ccc(cc1)C#N)c1ccnn2cc(nc12)-c1ccccc1
BDBM610453 FC(F)(F)COc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610454 CS(=O)(=O)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610455 O=C(Nc1cnccc1-c1ccccc1)c1ccnn2cc(nc12)-c1ccccc1
BDBM610473 CC1CN(CCO1)c1cc(F)ncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM610500 CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NC(=O)C3CCC3)cnc12
BDBM50402406 CNc1ccc(cc1)-c1ccc2ccccc2n1
BDBM50402407 C[N+]1=C(\C=C\c2ccc(cc2)N2CCCC2)C(C)(C)c2ccccc12 |c:1|
BDBM50402408 CCCC[N+]1=C(\C=C\c2ccc(cc2)N(CC)CC)C(C)(C)c2ccccc12 |c:4|
BDBM50430742 Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C |(19,-12.67,;17.67,-11.9,;16.33,-12.67,;15,-11.9,;13.67,-12.67,;12.34,-11.9,;11,-12.67,;9.67,-11.9,;9.67,-10.36,;11,-9.59,;12.34,-10.36,;13.67,-9.59,;15,-10.36,;16.33,-9.59,;17.67,-10.36,;19,-9.59,;8.33,-9.59,;7,-10.36,;8.33,-8.05,)|
BDBM50434484 CN(C)c1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1 |w:8.8|
BDBM50434366 C1CCN2\C(Sc3ccccc23)=C\C=C\c2sc3ccccc3[n+]2CCCCCN2\C(Sc3ccccc23)=C\C=C\c2sc3ccccc3[n+]2CC1 |t:13,15,43,45|
BDBM50434368 Cc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O
BDBM50434369 CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(-6.69,-.96,;-5.34,-1.73,;-5.34,-3.28,;-4,-.96,;-4,.55,;-2.67,1.33,;-1.33,.55,;,1.33,;1.33,.55,;2.66,1.33,;4,.55,;4,-.96,;2.66,-1.73,;1.33,-.96,;,-1.73,;-1.33,-.96,;-2.67,-1.73,;5.34,-1.73,;5.34,-3.28,;6.68,-.96,)|
BDBM50434370 Nc1ccc2nc3ccc(=[NH2+])cc3sc2c1
BDBM50434371 C[N+](C)=c1ccc2nc3ccc(N)cc3sc2c1 |(14.23,-9.19,;14.24,-7.65,;15.58,-6.89,;12.91,-6.88,;12.92,-5.34,;11.59,-4.55,;10.26,-5.32,;8.92,-4.54,;7.58,-5.32,;6.25,-4.56,;4.92,-5.33,;4.92,-6.87,;3.59,-7.64,;6.25,-7.64,;7.58,-6.86,;8.91,-7.64,;10.25,-6.86,;11.57,-7.64,)|
BDBM50434482 Nc1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1 |w:6.6|
BDBM50434483 CNc1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1 |w:7.7|
BDBM50020858 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2)cc(OC)c1O
BDBM50020859 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O
BDBM50020860 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Cl)c1O
BDBM50020861 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Br)c1O
BDBM50020862 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(O)c1O
BDBM50020863 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)ccc1O
BDBM50020864 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)cc(OC)c1O
BDBM50020865 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(Cl)c2)cc(OC)c1O
BDBM50020867 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(c2)C(F)(F)F)cc(Cl)c1O
BDBM50020869 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(OC(F)(F)F)c2)cc(F)c1O
BDBM142848 Cc1nc(no1)-c1ccc(cc1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ncncc1F |r|
BDBM142849 Cn1c(nc(cc1=O)-c1ncncc1F)N1CCCC(C1)c1ccc(cc1)N1CCCC1
BDBM142850 Cn1c(nc(cc1=O)-c1ncncc1F)N1CCNC(C1)c1ccc(cc1)[N+]#[C-]
BDBM142851 Cc1cccc(N2CCN(CC2)c2nc(cc(=O)n2C)-c2ncncc2F)c1C
BDBM142852 COc1ccc(CCNc2nc(cc(=O)n2C)-c2ncncc2F)cc1OC
BDBM142855 Cc1nc(no1)-c1ccc(cc1)[C@H]1CN(CCO1)c1nc(-c2ccncn2)c(O)c(=O)n1C |r|
BDBM142854 CN(CCc1ccc(cc1)[N+]([O-])=O)c1nc(cc(=O)n1C)-c1ncncc1F
BDBM142853 Cn1c(NCC(=O)c2ccc(Cl)cc2)nc(cc1=O)-c1ncncc1F
BDBM142845 CN1C(=O)CC(N=C1N1CCO[C@H](C1)c1ccc(F)cc1)c1ncncc1F |r,c:6|
BDBM142846 C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ncncc1F |r|
BDBM142847 Cn1c(nc(cc1=O)-c1ncncc1F)N1CCOC[C@H]1CF |r|
BDBM149234 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2OC)ccc1O
BDBM149270 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c(O)c1
BDBM149273 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2c(O)cccc2OC)ccc1O
BDBM50055937 [Cl-].CN(C)c1ccc2nc3ccc(N)cc3[s+]c2c1
BDBM50055938 [Cl-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C
BDBM50055942 N#C\[#6](=[#6]/c1ccc(s1)-c1ccc(s1)-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1)C#N
BDBM50055943 O=Cc1ccc(s1)-c1ccc(s1)-c1ccc(cc1)N(c1ccccc1)c1ccccc1
BDBM50055945 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2ccc(s2)-c2ccc(s2)-c2ccc(cc2)-[#7](-c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1
BDBM50055948 N#C\[#6](=[#6]/c1ccc(s1)-c1ccc(-c2ccc(cc2)-[#7](-c2ccccc2)-c2ccccc2)c2nsnc12)C#N
BDBM50055954 COc1ccc(cc1)-c1cc2n(c3cc(sc3c2s1)-c1ccc(C=O)s1)C(C)(C)C
BDBM50055957 O=Cc1ccc(s1)-c1ccc(s1)-c1ccc2[nH]ccc2c1
BDBM50055939 CC(C)(C)n1c2cc(sc2c2sc(cc12)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)-c1ccc(\C=C(/C#N)C(N)=O)s1
BDBM50055940 COc1ccc(cc1)-c1ccc(s1)-c1ccc(C=O)s1
BDBM50055941 OC(=O)C(=C\c1ccc(s1)-c1ccc(s1)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)\C#N
BDBM50055946 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(s2)-c2ccc(s2)-c2ccc(cc2)-[#7](-c2ccccc2)-c2ccccc2)-[#6]-1=O
BDBM50055947 O=Cc1ccc(s1)-c1ccc(-c2ccc(cc2)N(c2ccccc2)c2ccccc2)c2nsnc12
BDBM50055949 NC(=O)C(=C\c1ccc(s1)-c1ccc(-c2ccc(cc2)N(c2ccccc2)c2ccccc2)c2nsnc12)\C#N
BDBM50055950 CC(C)(C)n1c2cc(sc2c2sc(cc12)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)-c1ccc(C=O)s1
BDBM50055952 [#6]-[#8]-c1ccc(cc1)-c1ccc(s1)-c1ccc(\[#6]=[#6](/C#N)C#N)s1
BDBM50055955 [#6]-[#8]-c1ccc(cc1)-c1cc2n(c3cc(sc3c2s1)-c1ccc(\[#6]=[#6](/C#N)C#N)s1)C([#6])([#6])[#6]
BDBM170543 Oc1ccc(cc1O)-c1cc(Br)c(s1)-c1ccc(O)c(O)c1
BDBM170547 Oc1ccc(cc1O)-c1ccc(s1)-c1cc(O)c(O)c(O)c1
BDBM170548 Oc1ccc(cc1O)C(=O)Nc1cc(O)c(O)cc1Br
BDBM170550 Oc1ccc(cc1O)-c1nc2cc(O)c(O)cc2o1
BDBM170554 Oc1ccc(cc1O)-c1cc(c(s1)-c1ccc(O)c(O)c1)-c1ccc(O)c(O)c1
BDBM170557 Oc1ccc(cc1O)-c1nnc(o1)-c1ccc(O)c(O)c1
BDBM170558 Oc1ccc(cc1O)-c1cn(nn1)-c1ccc(O)c(O)c1
BDBM170560 Oc1ccc(cc1O)-c1cnc(o1)-c1ccc(O)c(O)c1
BDBM170561 Oc1ccc(cc1O)-c1nnc(s1)-c1ccc(O)c(O)c1
BDBM170571 Oc1ccc(cc1O)C(=O)\C=C\c1cc(O)c(O)cc1Br
BDBM170572 Oc1ccc(\C=C\C(=O)c2cc(O)c(O)cc2Br)cc1O
BDBM170573 Oc1ccc(Cc2cc(O)c(O)cc2O)cc1O
BDBM170574 CC(=O)N1N=C(CC1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |c:4|
BDBM170575 Oc1ccc(cc1O)-c1ccc(-c2ccc(O)c(O)c2)c(c1)N(=O)=O
BDBM50055944 NC(=O)C(=C\c1ccc(s1)-c1ccc(s1)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)\C#N
BDBM50055951 [#6]C([#6])([#6])n1c2cc(sc2c2sc(cc12)-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1)-c1ccc(\[#6]=[#6](/C#N)C#N)s1
BDBM50055956 COc1ccc(cc1)-c1cc2n(c3cc(sc3c2s1)-c1ccc(\C=C(/C#N)C(N)=O)s1)C(C)(C)C
BDBM170546 Oc1ccc(cc1O)-c1nsc(n1)-c1ccc(O)c(O)c1
BDBM50103937 COc1cccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1
BDBM50103928 COc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50103930 CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
BDBM50103932 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103961 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC
BDBM50103963 COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC
BDBM50103964 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
BDBM50103968 CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)cc1
BDBM50103969 CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103970 COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
BDBM50103971 CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1
BDBM50103972 CCOC(=O)N1C(=O)\C(=C/c2ccc(cc2)N(C)C)c2ccccc12
BDBM50103976 CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
BDBM50103979 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ncccc23)cc1
BDBM50103980 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccc(O)cc23)cc1
BDBM50104058 CN(C)c1ccc(\C=C\C=C2/C(=O)N(C)c3ccccc23)cc1
BDBM50104060 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
BDBM50103981 O=C1N(Cc2ccccc2)c2ccccc2\C1=C\C=C\c1ccccc1
BDBM50104107 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
BDBM50104105 CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1
BDBM50104106 CCOC(=O)N1C(=O)\C(=C/C=C/c2ccc(cc2)N(C)C)c2ccccc12
BDBM50104108 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50104109 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50104110 [O-][N+](=O)c1ccc(\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50104111 [O-][N+](=O)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50104144 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(N)cc3)c3ccccc23)cc1
BDBM50104115 [O-][N+](=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50104116 Nc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM223575 Cn1ccc2ccc(\C=C\c3cc(\C=C\c4ccc(OCc5ccccn5)cc4F)n[nH]3)cc12
BDBM223576 Cn1ccc2ccc(\C=C\c3cc(\C=C\c4ccc(OCc5ccccn5)cc4)n[nH]3)cc12
BDBM223577 Cn1cccc1\C=C\c1cc(\C=C\c2ccc(OCc3ccccn3)cc2F)n[nH]1
BDBM223578 Cn1cccc1\C=C\c1cc(\C=C\c2ccc(OCc3ccccn3)cc2)n[nH]1
BDBM223579 COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2cccn2C)[nH]n1
BDBM223580 COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2ccc(C)n2C)[nH]n1
BDBM223581 COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2cccc(C)n2)[nH]n1
BDBM223582 Cc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2cccn2C)[nH]n1
BDBM223583 COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2ccnn2C)[nH]n1
BDBM223584 C(CN1CCOCC1)Oc1cccc(\C=C\c2cc(\C=C\c3ccc4cc[nH]c4c3)[nH]n2)c1
BDBM50103965 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
BDBM50103966 CN(C)c1ccc(\C=C2/C(=O)Nc3ncccc23)cc1
BDBM50104145 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1
BDBM50104034 COc1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50104103 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50140172 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
BDBM50104143 CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
BDBM50103927 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50103929 O=C1Nc2ccccc2\C1=C\C=C\c1ccccc1
BDBM50103931 COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1
BDBM50103933 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103934 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50103935 COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50103936 COc1cccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1
BDBM50104059 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM247402 Nc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
BDBM247403 CNc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
BDBM247404 CCN(CC)c1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
BDBM247405 CCNc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
BDBM247406 CNc1ccc(cn1)-c1ccc2cc(OCC(O)CF)ccc2n1
BDBM247407 CN(C)c1ccc(cn1)-c1ccc2cc(OCC(O)CF)ccc2n1
BDBM247408 Nc1ccc(cc1)-c1ccc2cc(OCCF)ccc2n1
BDBM50198625 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cccc(O)c2OC)ccc1O
BDBM50198618 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1O
BDBM50198619 COc1cc(O)cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c1
BDBM50198620 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2)ccc1O
BDBM50198621 COc1cc(O)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc2cc[nH]c2c1
BDBM50198622 COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc3cc[nH]c3c2)c(OC)c1
BDBM50198623 COc1cc(OCc2ccccn2)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc2cc[nH]c2c1
BDBM50198615 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3ccccc3c2)ccc1O
BDBM50198616 COc1cc(O)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1OC
BDBM50198452 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cccnc2)ccc1O
BDBM50198614 COc1cc(OCc2ccccc2)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc2cc[nH]c2c1
BDBM50198627 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2OC)ccc1O
BDBM50198628 COc1cccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c1O
BDBM50198629 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3OCOc3c2)ccc1O
BDBM50198630 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccco2)ccc1O
BDBM50198631 COc1cc(OCC2CCCO2)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc2cc[nH]c2c1
BDBM50198617 COc1ccc(O)c(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c1
BDBM50198624 COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2ccc3cc[nH]c3c2)[nH]n1
BDBM50198626 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3cc[nH]c3c2)ccc1O
BDBM281656 Nc1cc2cc(ncc2cc1I)-n1ccc2ccncc12
BDBM281657 Nc1cc(I)cc2cnc(cc12)-n1ccc2ccncc12
BDBM281658 Nc1cc(I)c2cc(ncc2c1)-n1ccc2ccncc12
BDBM281659 COc1cc2ccn(-c3cc4cc(F)ccc4cn3)c2cn1
BDBM281555 c1cc2ccncc2n1-c1cc2ccccc2cn1
BDBM281556 FCC#Cc1ccc(nc1)-n1ccc2ccncc12
BDBM281558 Fc1ccc2cnc(cc2c1)-n1ccc2ccncc12
BDBM281559 Nc1cccc2cnc(cc12)-n1ccc2ccncc12
BDBM281557 c1cc2cc(ncc2[nH]1)-n1ccc2ccncc12
BDBM281560 Nc1ccc2cc(ncc2c1)-n1ccc2ccncc12
BDBM281561 COc1ccc2cc(ncc2c1)-n1ccc2ccncc12
BDBM281562 CN(CCF)c1ccc2cnc(cc2c1)-n1ccc2ccncc12
BDBM281563 CNc1ccc2cnc(cc2c1)-n1ccc2ccncc12
BDBM281564 Oc1ccc2cc(ncc2c1)-n1ccc2ccncc12
BDBM281565 FCCOc1ccc2cc(ncc2c1)-n1ccc2ccncc12
BDBM281566 FCOc1ccc2cc(ncc2c1)-n1ccc2ccncc12
BDBM281567 Nc1c(F)ccc2cnc(cc12)-n1ccc2ccncc12
BDBM281568 Cn1ccc2cc(ncc12)-n1ccc2ccncc12
BDBM281569 Ic1ccc2cnc(cc2c1)-n1ccc2ccncc12
BDBM281570 CC#Cc1cnc(cc1CF)-n1ccc2ccncc12
BDBM281571 CC#Cc1cnc(cc1CO)-n1ccc2ccncc12
BDBM281572 CC#Cc1cnc(cc1F)-n1ccc2ccncc12
BDBM281573 Cc1cc2cnc(cc2o1)-n1ccc2ccncc12
BDBM281574 FCOc1ccc2nc(ncc2c1)-n1ccc2ccncc12
BDBM281575 COc1ccc2nc(ncc2c1)-n1ccc2ccncc12
BDBM281576 Oc1ccc2nc(ncc2c1)-n1ccc2ccncc12
BDBM281577 Fc1nccc2cnc(cc12)-n1ccc2ccncc12
BDBM281578 c1cc2ccncc2n1-c1cc2cnccc2cn1
BDBM281579 Nc1nccc2cnc(cc12)-n1ccc2ccncc12
BDBM281580 COc1nccc2cnc(cc12)-n1ccc2ccncc12
BDBM281581 FCCn1ccc(n1)-c1cnc(nc1)-n1ccc2ccncc12
BDBM281582 FCC#Cc1cnc(cc1C=C)-n1ccc2ccncc12
BDBM281583 ClCCC1CCN(CC1)c1ccc(nc1)-n1ccc2ccncc12
BDBM281584 OCCC1CCN(CC1)c1ccc(nc1)-n1ccc2ccncc12
BDBM281585 Cc1cc(ncc1OCCF)-n1ccc2ccncc12
BDBM281586 COc1cc(ncc1C#CC)-n1ccc2ccncc12
BDBM281587 COc1ccc(NC(=O)c2ccc(nc2)-n2ccc3ccncc23)cc1
BDBM281588 FCCCNc1ccc(nc1)-n1ccc2ccncc12
BDBM281589 FCCNc1ccc(nc1)-n1ccc2ccncc12
BDBM281590 Fc1nc(ccc1-c1cccnc1)-n1ccc2ccncc12
BDBM281591 Fc1cc2ccn(-c3cc4ccccc4cn3)c2cn1
BDBM281592 C1CNc2cc(ncc2C1)-n1ccc2ccncc12
BDBM281593 Fc1ccc2cnc(cc2n1)-n1ccc2ccncc12
BDBM281594 c1nc(n[nH]1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281595 OC1CCN(CC1)c1ccc(nc1)-n1ccc2ccncc12
BDBM281596 FC1CCN(CC1)c1ccc(nc1)-n1ccc2ccncc12
BDBM281597 Fc1cc(ccn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281598 c1cc2ccncc2n1-c1ccc(cn1)-c1ccncn1
BDBM281599 Oc1cccc2cnc(cc12)-n1ccc2ccncc12
BDBM281600 Cc1cc(ncc1C#C)-n1ccc2ccncc12
BDBM281601 Cc1cc(ncc1C#CCF)-n1ccc2ccncc12
BDBM281602 CC#Cc1ccc(nc1)-n1ccc2ccncc12
BDBM281603 c1ncc(s1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281604 Fc1cccc2cnc(cc12)-n1ccc2ccncc12
BDBM281605 FCOc1cccc2cc(ncc12)-n1ccc2ccncc12
BDBM281606 Oc1cccc2cc(ncc12)-n1ccc2ccncc12
BDBM281607 FCOc1ccc2cnc(cc2c1)-n1ccc2ccncc12
BDBM281608 Cn1cc(cn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281609 Nc1cccc2cc(ncc12)-n1ccc2ccncc12
BDBM281610 Fc1ccc(cn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281611 CN(C)c1ccc2cnc(cc2c1)-n1ccc2ccncc12
BDBM281612 Fc1ccc2nc(ncc2c1)-n1ccc2ccncc12
BDBM281613 Cn1ccc(n1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281614 c1cc2ccncc2n1-c1ccc(cn1)-c1cnccn1
BDBM281615 Cn1cnc(c1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281616 CN(CCO)c1ccc2cnc(cc2c1)-n1ccc2ccncc12
BDBM281617 FCCOc1cccc2cc(ncc12)-n1ccc2ccncc12
BDBM281618 Fc1ccc2cnc(nc2c1)-n1ccc2ccncc12
BDBM281619 FCCOc1ccc2nc(ncc2c1)-n1ccc2ccncc12
BDBM281620 COc1cccc2cnc(cc12)-n1ccc2ccncc12
BDBM281621 FCCOc1cccc2cnc(cc12)-n1ccc2ccncc12
BDBM281622 CNc1cccc(c1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281623 Oc1ccc2cnc(cc2c1)-n1ccc2ccncc12
BDBM281624 CNc1ccc(cn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281625 Fc1cccc(n1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281626 CNc1cc(ccn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281627 CCNc1cc(ccn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281628 CN(C)c1ccc(cn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281629 c1cc([nH]n1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281630 Nc1cc(ccn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281631 Nc1ccc(cn1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281632 c1cc2ccncc2n1-c1ccc(cn1)-c1ccccn1
BDBM281633 COc1cccc2cc(ncc12)-n1ccc2ccncc12
BDBM281634 FCCn1ccc(n1)-c1ccc(nc1)-n1ccc2ccncc12
BDBM281635 Nc1cc2cnc(cc2cc1F)-n1ccc2ccncc12
BDBM281636 Nc1cccc2cnc(cc12)-n1ccc2cc(F)ncc12
BDBM281637 Nc1cccc2cnc(cc12)-n1ccc2ccnc(F)c12
BDBM281638 Nc1ccc2cc(ncc2c1F)-n1ccc2ccncc12
BDBM281639 Nc1cc2cc(ncc2cc1F)-n1ccc2ccncc12
BDBM281640 Nc1c(F)ccc2cc(ncc12)-n1ccc2ccncc12
BDBM281641 Nc1ccc2cnc(cc2c1F)-n1ccc2ccncc12
BDBM281642 Nc1cc(F)cc2cc(ncc12)-n1ccc2ccncc12
BDBM281643 Nc1cc(F)c2cnc(cc2c1)-n1ccc2ccncc12
BDBM281644 Nc1cc(F)c2cc(ncc2c1)-n1ccc2ccncc12
BDBM281645 Nc1cc(F)cc2cnc(cc12)-n1ccc2ccncc12
BDBM281646 Nc1ccc(F)c2cnc(cc12)-n1ccc2ccncc12
BDBM281647 Nc1ccc(F)c2cc(ncc12)-n1ccc2ccncc12
BDBM281648 Nc1ccc2cnc(cc2c1I)-n1ccc2ccncc12
BDBM281649 Nc1c(I)ccc2cnc(cc12)-n1ccc2ccncc12
BDBM281650 Nc1ccc(I)c2cc(ncc12)-n1ccc2ccncc12
BDBM281651 Nc1c(I)ccc2cc(ncc12)-n1ccc2ccncc12
BDBM281652 Nc1ccc2cc(ncc2c1I)-n1ccc2ccncc12
BDBM281653 Nc1ccc(I)c2cnc(cc12)-n1ccc2ccncc12
BDBM281654 Nc1cc(I)cc2cc(ncc12)-n1ccc2ccncc12
BDBM281655 Nc1cc(I)c2cnc(cc2c1)-n1ccc2ccncc12
BDBM50458015 COc1cc(\C=C\C(=O)Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc3O[C@H](CO)[C@H](Oc3c2)c2ccc(O)c(OC)c2)ccc1O |r|
BDBM50458016 COc1cc(\C=C\C(=O)Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc3O[C@@H](CO)[C@@H](Oc3c2)c2ccc(O)c(OC)c2)ccc1O |r|
BDBM50295169 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|
BDBM50487729 COc1ccc(OC)c(c1)C1=CC(NC(=S)N1)c1c(OC)cc(OC)cc1OC |t:11|
BDBM50487730 COc1ccc(cc1O)C1NC(=S)NC(=C1)c1cc(OC)c(OC)c(OC)c1 |c:15|
BDBM50521365 CS(O)(=O)=O.CS(O)(=O)=O.CN(C)C1C=CC2Nc3ccc(cc3SC2=C1)N(C)C |c:12,25|
BDBM50553256 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2cccc(c2)[N+]([O-])=O)ccc1O
BDBM50561056 CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1 |r|
BDBM50561057 CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccc(O)c(O)c1)[C@H]1CCc2nc(N)sc2C1 |r|
BDBM551435 COc1cc2[nH]c3nc(ccc3c2cn1)-c1cnc(Cl)nc1
BDBM551436 CN(C)c1cc2[nH]c3nc(ccc3c2cn1)-c1ccc(F)nc1
BDBM551434 CNC(=O)c1ccc(nc1)-c1ccc2c(nc3cc(OC)ncc23)n1
BDBM551437 CNC(=O)c1ccc(cn1)-c1ccc2c(n1)[nH]c1cc(ncc21)N(C)C
BDBM551305 COc1cc(ccn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551304 c1cc(ccn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551439 Cc1cc2[nH]c3nc(ccc3c2cn1)-c1ccc(F)nc1
BDBM551438 CN(C)c1cc2[nH]c3nc(ccc3c2cn1)-c1cnn(C)c1
BDBM551410 Nc1cc(ccn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551440 CNC(=O)c1ccc(cn1)-c1ccc2c(n1)[nH]c1cc(C)ncc21
BDBM551385 Oc1ccc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551442 COCc1cc2[nH]c3nc(ccc3c2cn1)-c1ccc(F)nc1
BDBM551441 Cc1cc2[nH]c3nc(ccc3c2cn1)-c1cnn(C)c1
BDBM551444 COCc1cc2[nH]c3nc(ccc3c2cn1)-c1cnn(C)c1
BDBM551443 CNC(=O)c1ccc(cn1)-c1ccc2c(n1)[nH]c1cc(COC)ncc21
BDBM551445 Cn1cc(cn1)-c1ccc2c(n1)[nH]c1cnccc21
BDBM551446 c1n[nH]cc1-c1ccc2c(n1)[nH]c1cnccc21
BDBM549568 Cc1ccc(o1)-c1c(CCc2nc3ccccc3[nH]2)oc2ccc(Br)cc12
BDBM549569 Cc1ccc(o1)-c1c(CCC(C)(C)O)oc2ccc(Br)cc12
BDBM549567 Cc1ccc(o1)-c1c(CCC(=O)N2CCC(O)CC2)oc2ccc(Br)cc12
BDBM549570 Cc1ccc(o1)-c1c(CCC(C)(O)c2ccc(C)cc2)oc2ccc(Br)cc12
BDBM551449 CNc1ccc(cn1)-c1ccc2c(n1)[nH]c1cnccc21
BDBM551447 CNC(=O)c1ccc(cn1)-c1ccc2c3ccncc3n(COCC[Si](C)(C)C)c2n1
BDBM551448 Fc1ccc(cn1)-c1ccc2c(n1)[nH]c1cnccc21
BDBM551450 COc1cnn(c1)-c1ccc2c(n1)[nH]c1cnccc21
BDBM551451 Fc1ccc(cn1)-c1ccc2c(n1)[nH]c1ncccc21
BDBM549571 CC(=O)CCc1oc2ccc(cc2c1-c1ccc(Cl)s1)-c1ccncc1
BDBM549573 CC(=O)CCc1oc2ccc(cc2c1-c1ccc(Cl)s1)-c1ccc(Cl)nc1
BDBM549572 COc1cc(ccn1)-c1ccc2oc(CCC(C)=O)c(-c3ccc(Cl)s3)c2c1
BDBM549574 CC(=O)CCc1oc2cc(Br)ccc2c1-c1ccc(C)o1
BDBM551409 c1cc(nn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551408 C1CN(CCN1c1ccncc1)c1ccc2c(n1)[nH]c1ccncc21
BDBM551452 FCCCC1CCN(CC1)c1ccc2c(n1)[nH]c1ncccc21
BDBM551454 CNC(=O)c1ccc(cn1)-c1cc2[nH]c3ncccc3c2cn1
BDBM551453 Fc1ccc(cn1)-c1cc2[nH]c3ncccc3c2cn1
BDBM551455 Cn1cc(cn1)-c1cc2[nH]c3ncccc3c2cn1
BDBM549575 CC(=O)CCc1oc2cc(ccc2c1-c1ccc(C)o1)-c1ccncc1
BDBM549576 COc1cc(ccn1)-c1ccc2c(c(CCC(C)=O)oc2c1)-c1ccc(C)o1
BDBM549577 CC(=O)CCc1oc2cc(ccc2c1-c1ccc(C)o1)-c1cccnc1
BDBM549578 CC(=O)CCc1oc2ccc(Br)cc2c1CCc1ccc(C)cc1
BDBM549579 COc1ccc(cn1)-c1ccc2c(c(CCC(C)=O)oc2c1)-c1ccc(C)o1
BDBM551402 c1cc(co1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551403 c1n[nH]cc1-c1ccc2c(n1)[nH]c1ccncc21
BDBM551401 COc1ncc(cc1F)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551404 C1CN(CCO1)c1nccc(n1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551406 Nc1ncc(cc1F)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551407 C1CN(CCN1c1cccnc1)c1ccc2c(n1)[nH]c1ccncc21
BDBM551405 CNC(=O)c1ccc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551309 c1cncc(c1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551351 COc1ccc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551332 Cn1cc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551411 Oc1cc(ccn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551412 Fc1ccc(nc1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551413 Nc1cc(cnc1F)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551414 CNc1ncc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551416 COCCNc1ncc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551415 C1CN(CCO1)c1ccc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551417 C1CN(CCN1)c1ncc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551418 Cc1cc(n[nH]1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551419 FCCn1cc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551420 CNC(=O)Cn1cc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM549559 CC(=O)CCc1oc2ccc(cc2c1-c1ccc(C)o1)-c1cccnc1
BDBM549560 CC(=O)CCc1oc2ccc(cc2c1-c1ccc(C)o1)-c1cccc(O)c1
BDBM549558 COc1ccc(cn1)-c1ccc2oc(CCC(C)=O)c(-c3ccc(C)o3)c2c1
BDBM551421 CNC(=O)c1ccc(nc1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551422 CN(C)C(=O)c1ccc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551423 FCCNC(=O)c1ccc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551424 COCCNC(=O)c1ccc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551425 COc1cnn(c1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551426 C1CN(CCO1)c1ncc(s1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM551427 CC(=O)N1CCN(CC1)c1ncc(cn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM549562 CC(=O)CCc1oc2ccc(cc2c1-c1ccc(C)o1)-c1ccncc1
BDBM549563 COc1cc(ccn1)-c1ccc2oc(CCC(C)=O)c(-c3ccc(C)o3)c2c1
BDBM549561 COc1cccc(c1)-c1ccc2oc(CCC(C)=O)c(-c3ccc(C)o3)c2c1
BDBM551428 Fc1ccc(cn1)C(=O)Nc1ccc2c(n1)[nH]c1ccncc21
BDBM551430 COc1cc2[nH]c3nc(ccc3c2cn1)-c1ccc(F)nc1
BDBM551429 CNc1ccc(cn1)C(=O)Nc1ccc2c(n1)[nH]c1ccncc21
BDBM551431 CNC(=O)c1ccc(cn1)-c1ccc2c(n1)[nH]c1cc(OC)ncc21
BDBM551432 COc1cc2[nH]c3nc(ccc3c2cn1)-c1cnn(C)c1
BDBM551433 COc1cc2[nH]c3nc(ccc3c2cn1)-c1cnc(nc1)N1CCOCC1
BDBM549566 Cc1ccc(o1)-c1c(CCC(O)=O)oc2ccc(Br)cc12
BDBM549564 CC(=O)CCc1oc2ccc(cc2c1-c1ccc(C)o1)-c1cccs1
BDBM549565 CC(C)CCc1c(CCC(C)=O)oc2ccc(Br)cc12
BDBM50586986 Fc1cc(ccn1)-c1nc2[nH]c3ccncc3c2s1
BDBM50586977 Fc1ncccc1-c1cnc2c(c1)[nH]c1ccncc21
BDBM50586978 Fc1cc(ccn1)-c1ccc2c(n1)[nH]c1cccnc21
BDBM50586979 Fc1cc(ccn1)-c1cc2[nH]c3cnccc3c2cn1
BDBM50586983 Fc1ncccc1-c1ccc2c(n1)[nH]c1ncccc21
BDBM50586972 Fc1cc(ccn1)-c1ccc2c(n1)[nH]c1ccncc21
BDBM50586973 Fc1cc(ccn1)-c1cc2[nH]c3ccncc3c2cn1
BDBM50586974 Fc1cc(ccn1)-c1cnc2c(c1)[nH]c1ccncc21
BDBM50586975 Fc1ncccc1-c1ccc2c(n1)[nH]c1ccncc21
BDBM50586976 Fc1ncccc1-c1cc2[nH]c3ccncc3c2cn1
BDBM50586980 Fc1cc(ccn1)-c1cnc2c(c1)[nH]c1ncccc21
BDBM50586981 Fc1ncccc1-c1ccc2c(n1)[nH]c1cccnc21
BDBM601742 CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCOCCOCCOCCOCCOc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2s1
BDBM601749 CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCOc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2s1
BDBM601750 CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCOCCOCCOCCOCCOc3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)cc2s1
BDBM601751 CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCOc3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)cc2s1
BDBM601752 CN(C)c1ccc2nc(sc2c1)-c1ccc(cc1)-c1ccc(NCCOCCOCCOCCOCCOCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nc1
BDBM601753 CN(C)c1ccc2nc(sc2c1)-c1ccc(cc1)-c1ccc(NCCOCCOCCOCCOCCOCCOc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)nc1
BDBM601754 CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCN3C(=O)CCC(N4Cc5cc(O)ccc5C4=O)C3=O)cc2s1
BDBM601755 CN(C)c1ccc(c(F)n1)-c1ccc(cc1)-c1cn2cc(OCCOCCOCCOCCOCCOCCOc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)ccc2n1
BDBM50586982 Fc1ncccc1-c1ccc2c(n1)[nH]c1cnccc21
BDBM50586984 Fc1cc(ccn1)-c1ccc2c(c1)[nH]c1ccncc21
BDBM50586985 Fc1ncccc1-c1ccc2c(c1)[nH]c1ccncc21
BDBM50601422 COc1cc(\C=C\c2cc(\C=C\c3ccc(OCC(=O)OC(C)(C)C)c(OC)c3)on2)ccc1OCC(=O)OC(C)(C)C
BDBM50601423 COc1cc(\C=C\c2cc(\C=C\c3ccc(OCC(O)=O)c(OC)c3)on2)ccc1OCC(O)=O
BDBM50601424 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(Cc3ccccc3)n2)ccc1O
BDBM50601425 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccc(cc2)[N+]([O-])=O)ccc1O
BDBM50601426 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccc(Cl)nn2)ccc1O
BDBM50601427 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccc(C)cc2)ccc1O
BDBM50601428 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccc(cc2)C(C)C)ccc1O
BDBM50601429 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(C)n2)ccc1O
BDBM50601430 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(CCO)n2)ccc1O
BDBM50601431 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2cc(Cl)cc(Cl)c2)ccc1O
BDBM50606489 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|
BDBM610463 CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
CHEMBL5277746 Cc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5267631 FC(F)(F)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5265899 CC(=C)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5288206 CC(C)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5278542 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1C1CCCC1)C1CC1
CHEMBL5278523 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1C1CCCCC1)C1CC1
CHEMBL5276201 Clc1cncc(c1)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
CHEMBL5276314 Cc1ccc(cn1)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
CHEMBL5289493 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1
CHEMBL5273285 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1
CHEMBL5280453 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1F
CHEMBL5273399 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1cc(F)ccc1F
CHEMBL5287772 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCCN1CCOCC1
CHEMBL5268820 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCCC(C)(C)O
CHEMBL5274489 Cl[C@H]1C[C@@H](C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1 |r,wU:3.5,wD:1.0,(-1.98,-6.49,;-1.98,-4.95,;-.89,-3.86,;-2,-2.75,;-3.09,-3.84,;-2,-1.21,;-.66,-.44,;-3.33,-.44,;-3.33,1.1,;-2.01,1.87,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-.67,4.18,;-.67,5.72,;.66,3.41,;2,4.18,;2,5.72,;3.33,6.49,;4.66,5.72,;4.66,4.18,;3.33,3.41,;3.33,1.87,;4.67,1.1,;4.67,-.44,;3.33,-1.21,;3.33,-2.75,;2,-.45,;2,1.09,)|
CHEMBL5272115 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCC(C)(F)F
CHEMBL5271077 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCC(F)(F)F
CHEMBL5266570 CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCC(F)F
CHEMBL5289242 CC(F)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1
CHEMBL5271154 CC(C)(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1cccc(F)c1F
CHEMBL5276840 CC(C)(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1N1CCC(F)(F)CC1
CHEMBL5276749 CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCC2)c1
CHEMBL5267564 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CCC1
CHEMBL5272651 CC1(C)CC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1
CHEMBL5282635 FC1(F)CC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1
CHEMBL5271312 FC1(F)CC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1
CHEMBL5290786 COc1ccc2[nH]c3CN(CCCN(C)C4CCCCC4)C=Nc3c2c1 |c:22|
CHEMBL5291181 FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)[C@H]2C[C@H](Cl)C2)c1 |r,wU:25.26,wD:27.29,(2.56,-2.55,;3.33,-1.21,;4.1,-2.55,;2,-.44,;2,1.1,;3.33,1.87,;4.67,1.1,;4.67,-.44,;3.33,3.41,;4.66,4.18,;4.66,5.72,;3.33,6.49,;2,5.72,;2,4.18,;.66,3.41,;-.67,4.18,;-.67,5.72,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-3.33,1.1,;-3.33,-.44,;-2,-1.21,;-.66,-.44,;-2,-2.75,;-.89,-3.86,;-1.98,-4.95,;-1.98,-6.49,;-3.09,-3.84,;-2.01,1.87,)|
CHEMBL5284020 FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)[C@@H]2C[C@H](Cl)C2)c1 |r,wU:25.26,27.29,(4.1,-2.55,;3.33,-1.21,;2.56,-2.55,;2,-.44,;2,1.1,;3.33,1.87,;4.67,1.1,;4.67,-.44,;3.33,3.41,;4.66,4.18,;4.66,5.72,;3.33,6.49,;2,5.72,;2,4.18,;.66,3.41,;-.67,4.18,;-.67,5.72,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-3.33,1.1,;-3.33,-.44,;-2,-1.21,;-.66,-.44,;-2,-2.75,;-3.09,-3.84,;-1.98,-4.95,;-1.98,-6.49,;-.89,-3.86,;-2.01,1.87,)|
CHEMBL5290846 F[C@H]1C[C@@H](C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1 |r,wU:3.5,wD:1.0,(-1.98,-6.49,;-1.98,-4.95,;-.89,-3.86,;-2,-2.75,;-3.09,-3.84,;-2,-1.21,;-.66,-.44,;-3.33,-.44,;-3.33,1.1,;-2.01,1.87,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-.67,4.18,;-.67,5.72,;.66,3.41,;2,4.18,;2,5.72,;3.33,6.49,;4.66,5.72,;4.66,4.18,;3.34,3.41,;3.34,1.87,;2,1.09,;2,-.45,;3.33,-1.21,;3.33,-2.75,;4.67,-.44,;4.67,1.1,)|
CHEMBL5281994 F[C@H]1C[C@H](C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1 |r,wU:3.5,1.0,(-1.98,-6.49,;-1.98,-4.95,;-3.09,-3.84,;-2,-2.75,;-.89,-3.86,;-2,-1.21,;-.66,-.44,;-3.33,-.44,;-3.33,1.1,;-2.01,1.87,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-.67,4.18,;-.67,5.72,;.66,3.41,;2,4.18,;2,5.72,;3.33,6.49,;4.66,5.72,;4.66,4.18,;3.34,3.41,;3.34,1.87,;2,1.09,;2,-.45,;3.33,-1.21,;3.33,-2.75,;4.67,-.44,;4.67,1.1,)|
CHEMBL5276076 CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCCC2)c1
CHEMBL5280118 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CCCC1
CHEMBL5286581 O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1)C1CCCC1
CHEMBL5270059 O[C@@H]1CC[C@H](C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1 |r|
CHEMBL5286043 FC1(F)CCC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1
CHEMBL5271607 Fc1ccccc1-c1cncc(NC(=O)c2ccnc(NC(=O)C3CCC(F)(F)C3)c2)c1
CHEMBL5269369 Fc1cccc(c1F)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CCC(F)(F)C3)c2)c1
CHEMBL5272462 FC1(F)CCC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1Cl
CHEMBL5283804 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CCOCC1
CHEMBL5268992 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1C1CCC1)C1CC1
CHEMBL5290181 CC(=O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5283410 CC(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5268011 CC(C)(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5273034 FC(F)(F)C(=O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5277764 OC(c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1)C(F)(F)F
CHEMBL5289779 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1N1CCOCC1)C1CC1
CHEMBL5288950 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1N1CCCCC1)C1CC1
CHEMBL5282887 FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5282113 C[C@@H]1COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|
CHEMBL5290966 C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|
CHEMBL5287294 O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1)C1CCC1
CHEMBL5287592 Cl[C@H]1C[C@H](C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1 |r,wU:1.0,3.5,(-1.98,-6.49,;-1.98,-4.95,;-3.09,-3.84,;-2,-2.75,;-.89,-3.86,;-2,-1.21,;-.66,-.44,;-3.33,-.44,;-3.33,1.1,;-2,1.87,;-2,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-.67,4.18,;-.67,5.72,;.66,3.41,;2,4.18,;2,5.72,;3.33,6.49,;4.66,5.72,;4.66,4.18,;3.33,3.41,;3.33,1.87,;2,1.09,;2,-.45,;3.33,-1.21,;3.33,-2.75,;4.67,-.44,;4.67,1.1,)|
CHEMBL5272013 C[C@@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|
CHEMBL5281590 C[C@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|
CHEMBL5286727 C[C@H]1CN(C[C@@H](C)O1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|
CHEMBL5272041 CC1(C)CN(CCO1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5278104 CC1(C)COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5282618 Cc1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
CHEMBL5273531 O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)C1CCC1)C1CC1
CHEMBL5284249 O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1)C1CC1
CHEMBL5287436 O=C(Nc1cc(ccn1)C(=O)Nc1cncc(Oc2ccccc2)c1)C1CC1
CHEMBL5290324 O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)N1CCCCC1)C1CC1
CHEMBL5290908 O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)N1CCOCC1)C1CC1
CHEMBL5272358 Fc1ccc(cc1)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
CHEMBL5266186 Fc1ccccc1-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
CHEMBL5291257 Fc1ccc(F)c(c1)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
CHEMBL5285048 Fc1cccc(c1F)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
CHEMBL5285396 O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccncc1)C1CC1
CHEMBL5266553 C[C@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
CHEMBL5316226 C[C@@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
CHEMBL5265782 COc1ccc2nc(sc2c1)-c1cn(Cc2ccc(cc2)C#N)nn1
CHEMBL5283139 COc1ccc2nc(sc2c1)-c1cn(CCc2ccc(cc2)[N+]([O-])=O)nn1
CHEMBL5285051 COc1ccc2nc(sc2c1)-c1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1
CHEMBL5272792 COc1ccc2nc(sc2c1)C(=O)OCc1ccc(cc1)C(F)(F)F
CHEMBL5266253 COc1ccc2nc(sc2c1)C(=O)OCc1cccc(F)c1
CHEMBL5290220 COc1ccc2nc(sc2c1)C(=O)Nc1ccc(CO)cc1
CHEMBL5287804 COc1ccc2nc(sc2c1)C(=O)Nc1cccc(c1)C#N
CHEMBL5287551 COc1ccc2nc(sc2c1)C(=O)Nc1ccncc1
CHEMBL5273005 COc1ccc2nc(sc2c1)-c1cn(CCOCCO)nn1
CHEMBL5278438 COc1ccc2nc(sc2c1)-c1cn(CCCCCCCCO)nn1
CHEMBL5268363 COc1ccc2nc(sc2c1)-c1cn(CCCCCCCO)nn1
CHEMBL5273003 COc1ccc2nc(sc2c1)-c1cn(CCCO)nn1
CHEMBL5271335 COc1ccc2nc(sc2c1)-c1cn(CCO)nn1
CHEMBL5271768 COc1ccc2nc(sc2c1)-c1cn(CCc2ccc(O)cc2)nn1
CHEMBL5271883 COc1ccc2nc(sc2c1)-c1cn(Cc2ccccc2)nn1
CHEMBL5266918 COc1ccc2nc(sc2c1)-c1cn(Cc2ccc(cc2)C(F)(F)F)nn1
CHEMBL5270129 COc1ccc2nc(sc2c1)-c1cn(Cc2ccc(F)cc2)nn1
CHEMBL5277173 CNc1ccc(cn1)-n1cc(nn1)-c1nc2ccc(O)cc2s1
CHEMBL5276358 CNc1ccc(cn1)-n1cc(nn1)-c1nc2ccc(OC)cc2s1
CHEMBL5265987 COc1ccc2nc(sc2c1)-c1cn(nn1)-c1ccc(N)nc1