BindingDB logo
myBDB logout

4307 SMILES Strings for Mitogen-activated protein kinase 14

Compound NameSMILES String
BDBM3083 Cn1c2nc(Nc3cccc(O)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
BDBM17735 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
BDBM17744 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
BDBM16395 Fc1ccc(F)c(c1)-c1ncoc1-c1ccc2nnc(C3CC3)n2c1
BDBM17745 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1
BDBM21492 c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
BDBM17746 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)n2)c(OC)c1
BDBM17743 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
BDBM16333 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM17740 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
BDBM17742 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)cc3)n2)c(OC)c1
BDBM17741 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
BDBM13338 C(Oc1cccnc1)c1ccccc1
BDBM16018 O=C1c2ccccc2-c2n[nH]c3cccc1c23
BDBM81374 Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12 |c:8,70,73|
BDBM81375 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
BDBM81376 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
BDBM31627 Nc1c(cc[n+]([O-])c1-c1ccc(F)cc1F)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;3.75,1.92,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM25995 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(O)=O
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM3085 Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
BDBM3084 Cn1c2nc(Nc3ccc(O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
BDBM3079 Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)|
BDBM3532 COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5718 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6569 Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM15420 Cn1c2ccc(cc2n(C)c1=O)-c1nc[nH]c1-c1ccc(F)cc1
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM7457 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7461 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
BDBM15450 Cc1cccc(c1)-c1nncn1-c1ccc2n(C)c(=O)n(C)c2c1
BDBM15414 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM15415 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]cn1
BDBM15445 Cn1c2ccc(cc2n(C)c1=O)-c1n[nH]cc1-c1ccccc1
BDBM15411 Fc1ccc(cc1)-c1ncoc1-c1ccncc1
BDBM15416 Cn1c2ccc(cc2n(C)c1=O)-c1nc[nH]c1-c1ccccc1
BDBM15413 CC(C)n1nnc2ccc(cc12)-c1ocnc1-c1ccc(F)cc1
BDBM15444 Cn1c2ccc(cc2n(C)c1=O)-c1c[nH]nc1-c1ccccc1
BDBM15418 Cc1cccc(c1)-c1[nH]cnc1-c1ccc2n(C)c(=O)n(C)c2c1
BDBM15457 COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
BDBM15454 Cc1cccc(c1)-n1cncc1-c1ccc2n(C)c(=O)n(C)c2c1
BDBM15432 Cc1cccc(c1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
BDBM15451 CCn1c2ccc(cc2n(CC)c1=O)-c1ocnc1-c1cccc(C)c1
BDBM15430 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)-c1cccs1
BDBM15427 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1cccc(Cl)c1)-c1cccs1
BDBM15458 COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM15437 Cc1cccc(c1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccnc1
BDBM15424 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1cccc(F)c1)-c1cccs1
BDBM15434 CCc1cccc(c1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
BDBM15453 CCn1c2ccc(cc2n(CC)c1=O)-c1nnnn1-c1ccc(F)c(C)c1
BDBM15412 CC(C)n1c2ccc(cc2n(C)c1=O)-c1ocnc1-c1ccc(F)cc1
BDBM15419 CCn1c2ccc(cc2n(CC)c1=O)-c1nc[nH]c1-c1cccc(C)c1
BDBM15436 CC(C)c1cccc(c1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
BDBM15459 C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
BDBM15456 CCn1c2ccc(cc2n(CC)c1=O)-c1cccnc1-c1cccc(C)c1
BDBM15462 CCn1c2ccc(cc2n(CC)c1=O)-c1c(nc(C2CCNCC2)n1C)-c1cccc(C)c1
BDBM15460 Cc1cccc(c1)-c1[nH]c2nc(N)ccc2c1-c1ccc2n(C)c(=O)n(C)c2c1
BDBM15439 CCn1c2ccc(cc2n(CC)c1=O)-c1nc([nH]c1-c1cccc(C)c1)C1CCNCC1
BDBM15423 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccccc1F)-c1cccs1
BDBM15446 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]nc1-c1ccccc1
BDBM15448 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]nc1-c1cccc(C)c1
BDBM15441 CCn1c2ccc(cc2n(CC)c1=O)-c1cc([nH]c1-c1cccc(C)c1)-c1cccnc1
BDBM14831 Cn1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
BDBM14832 Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1
BDBM15425 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccc(F)cc1)-c1cccs1
BDBM17727 COc1ccc(cc1)N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
BDBM15442 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]nc1-c1ccc(F)c(C)c1
BDBM15417 CCn1c2ccc(cc2n(CC)c1=O)-c1nc[nH]c1-c1ccccc1
BDBM15435 CCc1ccc(cc1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
BDBM15422 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccccc1)-c1cccs1
BDBM15433 Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
BDBM16015 CCCn1c(nc(c1-c1ccnc(NC2CC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1
BDBM15426 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccccc1Cl)-c1cccs1
BDBM15428 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccc(Cl)cc1)-c1cccs1
BDBM15438 CCn1c2ccc(cc2n(CC)c1=O)-c1nc([nH]c1-c1cccc(C)c1)-c1cccnc1
BDBM15421 CCn1c2ccc(cc2n(CC)c1=O)-c1nc[nH]c1-c1ccc(F)cc1
BDBM15447 CCn1c2ccc(cc2n(CC)c1=O)-c1n[nH]cc1-c1ccccc1
BDBM15431 Cc1ccccc1-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
BDBM15429 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1cccc(OC(F)(F)F)c1)-c1cccs1
BDBM15440 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccc(F)cc1)-c1ccc(cc1)S(C)=O
BDBM15461 CCn1c2ccc(cc2n(CC)c1=O)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM15455 CCn1c2ccc(cc2n(CC)c1=O)-c1ccnn1-c1cccc(C)c1
BDBM15443 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]nc1-c1cccc(c1)C(F)(F)F
BDBM15449 CCn1c2ccc(cc2n(CC)c1=O)-c1n[nH]cc1-c1cccc(C)c1
BDBM15452 CCn1c2ccc(cc2n(CC)c1=O)-n1nnnc1-c1ccc(F)c(C)c1
BDBM17739 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1
BDBM14842 O=C(Nc1ccnn1-c1ccccc1)Nc1ccc(OCCN2CCOCC2)c2ccccc12
BDBM14860 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
BDBM17734 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
BDBM16016 CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1
BDBM17737 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c(OC)c1
BDBM17738 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1
BDBM14949 Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM17725 CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccccc2)cc1
BDBM17726 COc1ccccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
BDBM14971 Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM17730 COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c1
BDBM17733 CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2cccc(c2)-c2ccccc2)cc1
BDBM13923 CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM17732 CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccc(cc2)-c2ccccc2)cc1
BDBM14844 Cc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM14862 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCn2ccnc2)c2ccccc12)C(C)(C)C
BDBM16396 CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
BDBM16397 Fc1ccc(F)c(c1)-c1ncoc1-c1ccc2nnc(C3CCC3)n2c1
BDBM15237 Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM17728 CC(C)Oc1cc(F)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
BDBM14771 COc1ccc(cc1OC1CCCC1)C(C)=NOC(N)=O |w:16.18|
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM16017 Oc1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
BDBM15238 Nc1nccc(n1)-c1c(ncn1CC1CC1)-c1ccc(F)cc1
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM17697 CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 |r|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM17731 CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccc3ccccc3c2)cc1
BDBM17729 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c(OC)c1
BDBM16317 CONC(=O)c1ccc(C)c(Nc2nc(nc(N(C)CC(C)(C)C)c2C#N)N2CCCN(C)CC2)c1
BDBM16319 CONC(=O)c1ccc(C)c(Nc2nc(N)nc(N(C)CC(C)(C)C)c2C#N)c1
BDBM16354 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(F)c1F
BDBM15239 Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM15240 C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
BDBM15241 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1
BDBM15242 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1
BDBM16388 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(Cc3ccccc3)n2c1
BDBM17736 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
BDBM16318 CNc1nc(Nc2cc(ccc2C)C(=O)NOC)c(C#N)c(n1)N(C)CC(C)(C)C
BDBM16320 CONC(=O)c1ccc(C)c(Nc2ncnc(N(C)CC(C)(C)C)c2C#N)c1
BDBM16387 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(N3CCOCC3)n2c1
BDBM16322 CCCNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N
BDBM16350 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)c(F)c1
BDBM16369 Fc1ccc(cc1)-c1ncoc1-c1ccc2nncn2c1
BDBM16391 Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1
BDBM16375 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(C3CC3)n2c1
BDBM16321 CNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N
BDBM16340 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1Cl
BDBM16356 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)cc1Cl
BDBM16401 CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
BDBM16402 Fc1cc(F)c(cc1F)-c1ncoc1-c1ccc2nnc(C3CCC3)n2c1
BDBM16403 CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM16404 CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
BDBM16331 CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC(C)C)c2C#N)c1
BDBM16348 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1Cl
BDBM16329 CC(C)Nc1nc(N)nc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
BDBM16365 CCN(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM16366 FC(F)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM14835 Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM14837 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM16335 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cccc(F)c1
BDBM16372 CCNc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16373 CCOc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM14834 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO
BDBM14839 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
BDBM16337 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(C)ccc1F
BDBM16351 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
BDBM14836 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM16353 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)cc(F)c1F
BDBM14838 CC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
BDBM14840 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
BDBM16352 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1c(F)cc(F)cc1F |(-5.34,-5.49,;-4.57,-4.15,;-3.03,-4.15,;-5.34,-2.82,;-6.87,-2.98,;-7.5,-1.57,;-6.35,-.54,;-6.35,1,;-5.02,1.77,;-3.69,1,;-3.69,-.54,;-5.02,-1.31,;-2.52,2,;-1.02,1.64,;-.22,2.96,;-1.22,4.13,;-2.64,3.53,;-3.97,4.3,;-3.97,5.85,;-2.64,6.62,;-5.31,6.62,;-6.64,5.85,;-7.98,6.62,;-6.64,4.3,;-5.31,3.53,;-5.31,1.99,)|
BDBM16371 CN(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16389 Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)c(F)c1
BDBM16380 CC(C)Oc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16339 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cccc(Cl)c1
BDBM16323 CONC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1
BDBM16338 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)cc1
BDBM16334 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cccc(C)c1
BDBM16390 CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
BDBM16382 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(N3CCCC3)n2c1
BDBM16324 CONC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1
BDBM16393 CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
BDBM16376 CC(C)Cc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16336 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(C)c1
BDBM16392 CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
BDBM16345 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(Cl)c1
BDBM16361 CCc1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM16343 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1c(F)cccc1F |(-5.34,-5.49,;-4.57,-4.15,;-3.03,-4.15,;-5.34,-2.82,;-6.87,-2.98,;-7.5,-1.57,;-6.35,-.54,;-6.35,1,;-5.02,1.77,;-3.69,1,;-3.69,-.54,;-5.02,-1.31,;-2.52,2,;-1.02,1.64,;-.22,2.96,;-1.22,4.13,;-2.64,3.53,;-3.97,4.3,;-3.97,5.85,;-2.64,6.62,;-5.31,6.62,;-6.64,5.85,;-6.64,4.3,;-5.31,3.53,;-5.31,1.99,)|
BDBM16360 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(Br)c1
BDBM16379 CCN(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16374 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(C3CCC3)n2c1
BDBM16359 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1Cl
BDBM16364 CCNc1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM16368 c1cc(on1)-c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM16363 C1CC(C1)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM16381 CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16327 CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1
BDBM16362 C1CC1c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM16370 CCc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16384 COc1ccccc1-c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16385 CCOc1ccccc1-c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16344 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(F)c1
BDBM16383 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(-c3ccccc3)n2c1
BDBM16316 CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
BDBM16386 CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16346 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)cc1F
BDBM16377 CC(C)Nc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16357 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cccc(Cl)c1Cl
BDBM16326 Cc1ccc(cc1Nc1ncnc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1
BDBM16355 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)c(Cl)c1
BDBM16328 CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1
BDBM16341 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
BDBM16347 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(Cl)ccc1F
BDBM16349 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)c(F)c1
BDBM16367 FC(F)(F)Cc1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
BDBM16330 Cc1ccc(cc1Nc1nc(N)nc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1
BDBM16332 CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC3CCCC3)c2C#N)c1
BDBM16407 CC(C)c1nnc2ccc(cn12)-c1nc[nH]c1-c1cc(F)ccc1F
BDBM16406 CC(C)c1nnc2ccc(cn12)-c1cnoc1-c1cc(F)ccc1F
BDBM13347 C(Cc1ccncn1)c1c[nH]c2ccccc12
BDBM13339 Nc1ncccc1OCc1c(Cl)cccc1Cl
BDBM13340 Nc1ncccc1OCc1cccc2ccccc12
BDBM13348 Clc1nccc(CCc2c[nH]c3ccccc23)n1
BDBM13352 C(Cn1ccc2ccccc12)c1ccncc1
BDBM16399 CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
BDBM16400 Fc1cc(F)c(cc1F)-c1ncoc1-c1ccc2nnc(C3CC3)n2c1
BDBM13343 Clc1ccc(NC(=O)c2ccccc2)cc1COc1cccnc1
BDBM13346 C(Cc1ccncc1)c1c[nH]c2ccccc12
BDBM16405 CC(C)c1nnc2ccc(cn12)-c1c[nH]nc1-c1cc(F)ccc1F
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13337 Nc1ncccc1OCc1ccccc1
BDBM16358 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(Cl)cc1F
BDBM16325 CC(C)Nc1ncnc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
BDBM16342 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
BDBM16378 CCCNc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
BDBM16394 CC(C)(O)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
BDBM19430 CN1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM19434 Clc1ccc(cc1)-c1n[nH]c(N2CCc3ccccc3C2)c1-c1ccncc1
BDBM19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM19429 Fc1ccc(cc1)-c1n[nH]cc1-c1ccncc1
BDBM19431 CC1CC(C)CN(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM19432 CC1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM19433 Clc1ccc(cc1)-c1n[nH]c(N2CCC3CCCCC3C2)c1-c1ccncc1 |w:14.15,19.19|
BDBM19435 Clc1ccc(cc1)-c1n[nH]c(N2CCCC3CCCCC23)c1-c1ccncc1 |w:19.20,15.16|
BDBM19436 OC1CCCN(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM19437 OC1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM19438 Clc1ccc(cc1)-c1n[nH]c(N2CCN3CCC[C@H]3C2)c1-c1ccncc1 |r|
BDBM19439 CC1CN(CCN1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM19440 CC1CN(CC(C)N1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM13353 Fc1cc(cc(c1)C(=O)Nc1ccc2ccn(CCc3ccncc3)c2c1)N1CCOCC1
BDBM13341 OCCNc1ccc(OCc2c(Cl)cccc2Cl)cn1
BDBM13342 CC(C)(CO)Nc1ccc(OCc2c(Cl)cccc2Cl)cn1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13345 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)[nH]n1
BDBM13351 Fc1cc(cc(c1)C(=O)Nc1ccc2[nH]cc(CCc3ccncc3)c2c1)N1CCOCC1
BDBM13350 Fc1cc(cc(c1)C(=O)Nc1ccc2[nH]ccc2c1)N1CCOCC1
BDBM13354 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1ccccc1
BDBM20654 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NC4CCCC4)c(C)c23)c1
BDBM20656 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccn4)c(C)c23)c1
BDBM20642 CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
BDBM20644 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(cc23)C(=O)OC)c1
BDBM20646 CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1CC
BDBM20648 CNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
BDBM13344 Fc1cc(cc(c1)C(=O)Nc1ccc(Cl)c(COc2cccnc2)c1)N1CCOCC1
BDBM20650 CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
BDBM13349 CC(C)(CO)Nc1nccc(CCc2c[nH]c3ccccc23)n1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM17058 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM20652 CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C |r|
BDBM20670 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)Oc4ccccc4)ccc3C)c2c1C
BDBM20653 COCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
BDBM20672 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(C)=O)ccc3C)c2c1C
BDBM20668 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OCC)ccc3C)c2c1C
BDBM20639 CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
BDBM20655 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccc4)c(C)c23)c1
BDBM20658 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@H](C)c4ccccc4)c(C)c23)c1 |r|
BDBM20641 COC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(N)=O)c2c1C
BDBM20660 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(C)=O)c(C)c23)c1
BDBM20643 CCONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
BDBM20662 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)C(C)C)c(C)c23)c1
BDBM20674 CCOC(=O)Nc1ccc(C)c(Nc2ncnn3cc(C(=O)NC(C)C)c(C)c23)c1
BDBM16398 CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
BDBM20645 CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
BDBM20664 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)OC)c(C)c23)c1
BDBM20647 CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C(C)C
BDBM20666 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)OC(C)C)c(C)c23)c1
BDBM20649 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
BDBM11639 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM17060 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
BDBM17056 COc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM20651 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NC(C)C)c(C)c23)c1
BDBM20667 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OC)ccc3C)c2c1C
BDBM20669 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OC(C)C)ccc3C)c2c1C
BDBM20640 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
BDBM20671 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)COC)ccc3C)c2c1C
BDBM20657 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r|
BDBM20673 CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OCC)ccc3C)c2c1C
BDBM20659 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCCN4CCOCC4)c(C)c23)c1
BDBM20675 CCOC(=O)Nc1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)CC)c(C)c23)c1 |r|
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM20661 CCC(=O)Nc1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
BDBM20663 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)NC(C)C)c(C)c23)c1
BDBM20665 CCOC(=O)Nc1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM25195 Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)-c1cccnc1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM25191 Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
BDBM25198 Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
BDBM25116 Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM21898 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
BDBM15714 Nc1c(cnn1-c1ccccc1)C(=O)c1ccccc1
BDBM15734 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCCCC1
BDBM15735 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCOCC1
BDBM15775 CCC(O)CNc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1
BDBM15776 CC(CO)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1
BDBM15738 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(CCCN2CCOCC2)cc1
BDBM15731 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCO
BDBM15757 Fc1ccc(cc1)-c1c([nH]c2ccncc12)-c1ccncc1
BDBM15758 Fc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccncc1
BDBM15761 Nc1ncnc2n(c(cc12)-c1ccncc1)-c1ccc(F)cc1
BDBM15762 Fc1ccc(cc1)-c1c(oc2cccnc12)-c1ccncc1
BDBM15766 Cn1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15741 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)-c1cccnc1
BDBM15759 Fc1ccc(cc1)-c1c([nH]c2nccnc12)-c1ccncc1
BDBM15715 O=C(c1cnn(c1C#N)-c1ccccc1)c1ccccc1
BDBM15733 CN1CCN(CC#Cc2cccc(c2)C(=O)c2cnn(c2N)-c2ccc(F)cc2)CC1
BDBM15746 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCO)c1
BDBM15729 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#N
BDBM15736 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)C#CCN1CCOCC1
BDBM15760 Fc1ccc(cc1)-c1c([nH]c2cncnc12)-c1ccncc1
BDBM15750 CC(C)(O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
BDBM15751 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C(O)CO
BDBM15774 C[C@@H](O)CNc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1 |r|
BDBM15773 C[C@H](O)CNc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1 |r|
BDBM15765 CCn1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15754 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
BDBM15771 OC(=O)Cn1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15764 COC(C)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15745 Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(Oc2cccnc2)c1
BDBM15756 Fc1ccc(cc1)-c1c([nH]c2cccnc12)-c1ccncc1
BDBM15737 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCCN2CCOCC2)c1
BDBM15728 CN1CCN(CCc2cccc(c2)C(=O)c2cnn(c2N)-c2ccc(F)cc2)CC1
BDBM15730 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)C#N
BDBM15732 CN(C)CC#Cc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
BDBM15753 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@H](O)CO)c1 |r|
BDBM15769 CC(N1CCCC1)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15747 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCS(N)(=O)=O)c1
BDBM15742 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1ccncc1
BDBM15749 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCC2(O)CCCC2)c1
BDBM15770 CC(N1CCCCC1)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15744 Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1cccnc1
BDBM15768 CC(N1CCOCC1)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15743 Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1ccncc1
BDBM15772 OCCCCNc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1
BDBM15718 Cc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
BDBM15719 Nc1c(cnn1-c1cccc(c1)[N+]([O-])=O)C(=O)c1ccccc1
BDBM15763 COn1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15752 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C(O)(CO)CO
BDBM15748 CS(=O)(=O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
BDBM15716 Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1ccccc1
BDBM15717 CO\N=C(/c1cnn(c1N)-c1ccccc1)c1ccccc1
BDBM15767 CC(O)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
BDBM15739 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCCCC2)c1
BDBM15726 CN1CCN(CC1)c1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
BDBM15724 COc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
BDBM15727 NCCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
BDBM15725 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCOCC2)c1
BDBM15722 Nc1c(cnn1-c1ccccc1F)C(=O)c1ccccc1
BDBM15723 COc1ccc(cc1)-n1ncc(C(=O)c2ccccc2)c1N
BDBM26658 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM15720 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccccc1
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM23412 COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM23413 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)cc2o1
BDBM15721 Nc1c(cnn1-c1cccc(F)c1)C(=O)c1ccccc1
BDBM15740 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1cccnc1
BDBM23418 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM23414 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM23415 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM23409 COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM23417 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM26376 CN1CCC(CC1)Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
BDBM26375 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM26374 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCCN2CCOCC2)nc1
BDBM26377 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(C)=O)ccc3C)cn2)cc1
BDBM26365 Cc1ccc(cc1C(=O)Nc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM26386 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3Cl)cn2)cc1
BDBM26381 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)ccc3C)cn2)cc1
BDBM26378 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3C)cn2)cc1
BDBM26379 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccccc4)ccc3C)cn2)cc1
BDBM26380 COc1ccccc1C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
BDBM26369 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26385 COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
BDBM26005 Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM26370 Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1
BDBM26383 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3C)cn2)cc1
BDBM26000 CCc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM26388 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(C)ccc(NC(=O)c4cccc(c4)C(F)(F)F)c3C)cn2)cc1
BDBM26372 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
BDBM26366 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc1
BDBM26367 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1
BDBM25983 COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1
BDBM26387 CCc1ccc(NC(=O)c2ccc3OC(F)(F)Oc3c2)cc1C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
BDBM25996 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCCCO
BDBM26382 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1
BDBM26389 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)cc1
BDBM25979 COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
BDBM25991 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
BDBM26001 CCCc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM26373 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cncnc1
BDBM25990 COc1ccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1
BDBM26003 Cc1nc(no1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM26384 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc(cc4)C(C)(C)C)ccc3C)cn2)cc1
BDBM25984 COc1ccccc1NC(=O)c1ccc(cc1)-c1cc(ccc1C)-c1nnc(C)o1
BDBM25986 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1
BDBM26368 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)nc1
BDBM25989 COc1cccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
BDBM26002 CCCCc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM26004 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)-c1ncc[nH]1
BDBM26007 Cc1nnc(o1)-c1cccc(c1)-c1ccc(cc1C)C(=O)NCC1CC1
BDBM25985 CNC(=O)c1cccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
BDBM25987 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1
BDBM25994 CN(C(=O)c1ccc(cc1)-c1cc(ccc1C)-c1nnc(C)o1)c1cccc(c1)C#N
BDBM26006 Cc1nnc(o1)-c1cccc(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM25992 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1cccc(CN2CCOCC2)c1
BDBM25988 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccccc1
BDBM25993 CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1cc(ccc1C)-c1nnc(C)o1
BDBM24466 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25980 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
BDBM25999 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)-c1nnco1
BDBM25997 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCCN1CCOCC1
BDBM25982 CN1CCN(CC1)c1cccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
BDBM25998 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)N1CCCCC1
BDBM25981 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM35317 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50335606 COc1cc(ccc1O)[C@H]1CC(=O)Oc2cc(O)c3C[C@H](O)[C@H](Oc3c12)c1cc(O)c(OC)c(O)c1 |r|
BDBM35320 CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
BDBM35319 Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1
BDBM35327 Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12
BDBM50333997 COC(=O)N1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O
BDBM50333998 Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50333996 O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1
BDBM50333999 CC(=O)Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1
BDBM50334000 O=c1n(CC2CCOCC2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50334001 O=c1n(nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1)C1CCOCC1
BDBM50334002 Brc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50334003 O=c1[nH]nc(-c2ccnc(Nc3ccccc3)c2)n1-c1ccc2ccccc2c1
BDBM50334004 Nc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50334005 O=C(Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1
BDBM50334006 Nc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50334007 O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1
BDBM50334008 O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50334009 O=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1
BDBM50334010 C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|
BDBM31624 COc1cccc(OC)c1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,.38,;-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;2.42,7.32,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM50333980 O=c1n(Cc2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50333981 O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1
BDBM50333982 O=c1[nH]nc(-c2ccnc(Nc3ccccn3)c2)n1-c1ccc2ccccc2c1
BDBM50333984 O=C(Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)C1CC1
BDBM50333985 O=c1[nH]nc(-c2ccnc(NC3CCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50333986 O=c1[nH]nc(-c2ccnc(NC3CC3)c2)n1-c1ccc2ccccc2c1
BDBM50333987 O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1
BDBM50333988 O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCNCC1
BDBM50333990 Fc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50333991 O=c1[nH]nc(-c2ccnc(Nc3nccs3)c2)n1-c1ccc2ccccc2c1
BDBM50333992 O=c1[nH]nc(-c2ccnc(NC3CCC3)c2)n1-c1ccc2ccccc2c1
BDBM50333993 O=c1[nH]nc(-c2ccnc(Nc3cccnc3)c2)n1-c1ccc2ccccc2c1
BDBM50333994 O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1
BDBM50334268 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
BDBM35322 CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
BDBM35324 CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
BDBM35326 CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc4c(NC(=O)C4(C)C)c3)nccc12
BDBM35318 Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM35325 CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3cc(nn3C)C(C)(C)C)nccc12
BDBM31620 CC(C)c1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-3.07,1.53,;-1.58,1.92,;-.99,.5,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM35321 CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12
BDBM31614 Nc1c(cc[n+]([O-])c1-c1ccccc1Cl)C(=O)c1ccccc1C(F)(F)F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,;-3.66,13.25,;-2.12,10.58,;-1.55,12.69,)|
BDBM35323 CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc4sc(C)nc4c3)nccc12
BDBM31616 Nc1c(cc[n+]([O-])c1-c1cccc(Cl)c1)C(=O)c1ccc(F)cc1F
BDBM31615 Nc1c(cc[n+]([O-])c1-c1ccccc1Cl)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31634 COCCOc1ccc(c(C)c1)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(9.06,1.88,;7.75,2.69,;6.42,1.92,;5.09,2.69,;3.75,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;1.08,1.92,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31635 COCCNC(=O)c1ccc(c(C)c1)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(10.42,2.61,;9.06,1.88,;7.75,2.69,;6.42,1.92,;5.09,2.69,;3.75,1.92,;3.75,.38,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;1.08,1.92,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31831 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C
BDBM31824 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1
BDBM31625 COc1cccc(c1OC)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(2.42,-.39,;1.08,.38,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;-1.58,.38,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31632 Cc1cc(OCCN2CCOCC2)ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;3.75,1.92,;5.09,2.69,;6.42,1.92,;7.75,2.69,;7.8,4.23,;9.16,4.96,;10.47,4.15,;10.42,2.61,;9.06,1.88,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31633 Cc1cc(ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F)C(=O)NCCN1CCOCC1 |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,;3.75,1.92,;3.75,.38,;5.09,2.69,;6.42,1.92,;7.75,2.69,;9.06,1.88,;9.06,.34,;10.4,-.43,;11.73,.34,;11.73,1.88,;10.4,2.65,)|
BDBM31608 Nc1c(cc[n+]([O-])c1-c1ccccc1)C(=O)c1ccccc1
BDBM31609 Nc1c(cc[n+]([O-])c1-c1ccccc1Cl)C(=O)c1ccccc1 |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-4.23,11.16,;-5.55,11.95,;-6.9,11.2,;-6.92,9.66,;-5.59,8.87,)|
BDBM31828 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C
BDBM31613 COc1ccccc1C(=O)c1cc[n+]([O-])c(c1N)-c1ccccc1Cl |(-2.87,13.46,;-2.89,11.92,;-4.23,11.16,;-5.55,11.95,;-6.9,11.2,;-6.92,9.66,;-5.59,8.87,;-4.25,9.63,;-2.92,8.86,;-1.58,9.63,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,)|
BDBM31825 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
BDBM31617 Nc1c(cc[n+]([O-])c1-c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1F
BDBM31827 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1)C(C)(C)C
BDBM31623 Cc1cccc(C)c1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31829 CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1
BDBM31610 Cc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccccc1 |(1.08,6.55,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-4.23,11.16,;-5.55,11.95,;-6.9,11.2,;-6.92,9.66,;-5.59,8.87,)|
BDBM31618 COc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(2.42,7.32,;1.08,6.55,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM50091912 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)cs1
BDBM50091913 CC(C)(C)Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
BDBM50095409 COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50095410 COC(=O)c1c(NC(=O)Nc2ccccc2)cc(n1C)C(C)(C)C
BDBM50095411 COC(=O)c1sc(cc1NC(=O)Nc1ccc(O)cc1)C(C)(C)C
BDBM50095412 Cc1ccc(NC(=O)Nc2cc(sc2C(=O)OCCO)C(C)(C)C)cc1
BDBM50095413 COC(=O)c1sc(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
BDBM50095414 CCOC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50095415 CNC(=O)c1[nH]c(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50095416 COC(=O)COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50095417 CCc1ccc(NC(=O)Nc2cc(sc2C(=O)OC)C(C)(C)C)cc1
BDBM50095418 COC(=O)c1oc(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
BDBM50095419 COCCOC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50095420 COC(=O)c1sc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
BDBM50095421 CNC(=O)c1sc(cc1NC(=O)Nc1ccc(cc1)C(C)C)C(C)(C)C
BDBM50095422 CCc1ccc(NC(=O)Nc2cc(sc2C(=O)NC)C(C)(C)C)cc1
BDBM50095423 COC(=O)c1sc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50172919 NC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50172923 CN(C)CCNC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50172925 N(c1ccccc1)c1ccc2c(n[nH]c2c1)-c1ccccc1
BDBM50172927 OC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50095428 COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50148670 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc(F)c(F)c1
BDBM50148671 Fc1ccc(nc1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(10.22,-5.86,;9.24,-4.65,;7.71,-4.87,;6.78,-3.66,;7.35,-2.24,;8.87,-2.02,;9.83,-3.22,;6.4,-1.03,;6.87,.43,;5.64,1.34,;5.17,2.79,;3.66,2.83,;3.16,1.36,;4.4,.44,;4.86,-1.02,;3.82,-2.16,;4.29,-3.63,;3.24,-4.77,;1.75,-4.43,;1.29,-2.96,;-.22,-2.64,;-.69,-1.16,;.36,-.03,;1.85,-.36,;2.31,-1.82,)|
BDBM31621 Nc1c(cc[n+]([O-])c1-c1c(Cl)cccc1Cl)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31622 Nc1c(cc[n+]([O-])c1-c1c(F)cccc1F)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM50091914 CC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2)no1
BDBM50130648 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
BDBM142653 Oc1ccc(cc1)-c1cnc2ccc(NC(=O)NCC=C)nc2n1
BDBM142654 Oc1ccc(cc1)-c1cnc2ccc(NC(=S)NCC=C)nc2n1
BDBM142655 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(O)cc1
BDBM142656 CNC(=S)Nc1ccc2ncc(nc2n1)-c1ccc(N)cc1
BDBM142657 CCN(C(C)=O)C(=O)Nc1ccc2ncc(nc2n1)-c1ccccc1
BDBM142658 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(N)cc1
BDBM142660 OCCCCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccccc1
BDBM142661 OCCCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccccc1
BDBM142662 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OCCCN2CCOCC2)cc1
BDBM142663 CCNC(=S)Nc1ccc2ncc(nc2n1)-c1ccc(O)cc1
BDBM142665 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1cccc(c1)C(O)=O
BDBM142666 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OC)c(OC)c1
BDBM142667 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(N)c(OC)c1
BDBM142668 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1cccc(c1)C(N)=O
BDBM142670 CCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)cc3)nc2n1
BDBM142671 CCNC(=O)Nc1ccc2ncc(Nc3ccc(Cl)cc3)nc2n1
BDBM142672 CCNC(=O)Nc1ccc2ncc(Nc3cccnc3)nc2n1
BDBM142673 CCNC(=O)Nc1ccc2ncc(Nc3ccc(CC)cc3)nc2n1
BDBM142674 CCNC(=O)Nc1ccc2ncc(Nc3ccc(C)c(OC)c3)nc2n1
BDBM142675 CCNC(=O)Nc1ccc2ncc(Nc3ccc(O)cc3)nc2n1
BDBM142676 CCNC(=O)Nc1ccc2ncc(Nc3ccc(C)cn3)nc2n1
BDBM142677 CCNC(=O)Nc1ccc2ncc(Nc3ccn(C)n3)nc2n1
BDBM142678 CCNC(=O)Nc1ccc2ncc(Nc3ccc(F)cc3)nc2n1
BDBM142679 COc1cc(ccc1O)-c1cnc2ccc(NC(=O)NCCCCO)nc2n1
BDBM142680 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(O)cc1Cl
BDBM142681 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(Cl)cc1OC
BDBM142682 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1c(C)n[nH]c1C
BDBM142683 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1cnn(C)c1
BDBM142684 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(s1)C#N
BDBM142685 CCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)c(Cl)c3)nc2n1
BDBM142686 CCNC(=O)Nc1ccc2ncc(Nc3cnc4ccccc4c3)nc2n1
BDBM142687 CCNC(=O)Nc1ccc2ncc(Nc3cc(OC)cc(OC)c3)nc2n1
BDBM142688 CCNC(=O)Nc1ccc2ncc(Nc3cnccn3)nc2n1
BDBM142689 CCNC(=O)Nc1ccc2ncc(Nc3cccc(OC(C)C)c3)nc2n1
BDBM142690 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1
BDBM142691 CCNC(=O)Nc1ccc2ncc(Nc3ccnc(Cl)c3)nc2n1
BDBM142692 CCNC(=O)Nc1ccc2ncc(Nc3cc(Cl)c(O)c(Cl)c3)nc2n1
BDBM142693 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1cc(Cl)c(O)c(Cl)c1
BDBM142694 CCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)c(OC)c3)nc2n1
BDBM142695 CCNC(=O)Nc1ccc2ncc(Nc3ccc(C)c(O)c3)nc2n1
BDBM142696 CCNC(=O)Nc1ccc2ncc(Nc3cc(cc(c3)C(F)(F)F)C(O)=O)nc2n1
BDBM142697 CCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)nc3)nc2n1
BDBM142698 CCNC(=O)Nc1ccc2ncc(Nc3ccc(cc3)C#N)nc2n1
BDBM50075769 Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)C1CCCCC1
BDBM50075770 COc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075788 Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)-c1cccc(Cl)c1
BDBM50075789 Fc1ccc(cc1)-c1cc[nH]c1-c1ccncc1
BDBM50075790 Clc1ccc(cc1)-c1ccc([nH]1)-c1ccncc1
BDBM50075791 OC(=O)c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM31619 Cc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(1.08,6.55,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM50095429 COC(=O)c1oc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50095430 COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)cc(n1C)C(C)(C)C
BDBM50075792 CSc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50156469 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccc2)s1
BDBM50053424 Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
BDBM50135165 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
BDBM31630 Cc1cc(O)ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;3.75,1.92,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31611 Nc1c(cc[n+]([O-])c1-c1ccc(Cl)cc1)C(=O)c1ccccc1
BDBM50127690 CCOCn1nnc(c1-c1ccc(F)cc1)-c1ccncc1
BDBM50242924 Cc1ccc(cc1C(=O)Nc1cncnc1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50091937 Cc1ccccc1-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50091938 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(c1)C(F)(F)F
BDBM50091939 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(F)c1
BDBM50091940 CC(C)c1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50091944 Cn1nc(cc1NC(=O)Nc1cccc(c1)-c1ccccc1)C(C)(C)C
BDBM50091945 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(CC(F)(F)F)n1
BDBM50091946 COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50091947 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(CCO)n1
BDBM50091948 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(CCC#N)n1
BDBM50091949 CNC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50091950 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccccn1
BDBM31626 Nc1c(cc[n+]([O-])c1-c1cccc2OCOc12)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;3.56,5.27,;2.94,6.67,;1.4,6.51,;1.08,5.01,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31631 Cc1cc(ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F)C(O)=O |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,;3.75,1.92,;3.75,.38,;5.09,2.69,)|
BDBM31628 Cc1cc(Cl)ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;3.75,1.92,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31629 COc1cc(F)c(c(F)c1)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(5.09,2.69,;3.75,1.92,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-.25,4.23,;1.08,5.01,;1.08,6.55,;2.42,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM31612 Nc1c(cc[n+]([O-])c1-c1ccccc1Cl)C(=O)c1ccccc1Cl |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
BDBM50095424 COC(=O)c1[nH]c(cc1NC(=O)Nc1ccccc1Cl)C(C)(C)C
BDBM50095425 COC(=O)c1c(NC(=O)Nc2ccc(F)cc2)cc(n1C)C(C)(C)C
BDBM50095426 COC(=O)c1[nH]c(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50095427 COC(=O)c1c(NC(=O)Nc2cccc(Cl)c2Cl)cc(n1C)C(C)(C)C
BDBM50175753 C[C@@H](N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)C(O)=O |wD:1.0,(2.98,-33.84,;2.98,-35.38,;1.65,-36.15,;1.65,-37.69,;.32,-38.46,;-1.02,-37.69,;-1.03,-36.15,;.31,-35.38,;-2.35,-38.46,;-2.35,-40.01,;-3.69,-40.79,;-3.68,-42.32,;-5.02,-43.09,;-5.02,-44.63,;-3.69,-45.4,;-3.69,-46.94,;-2.35,-44.62,;-2.35,-43.09,;-1.02,-42.31,;-5.02,-40.02,;-6.35,-40.79,;-7.69,-40.02,;-7.69,-38.47,;-9.02,-37.7,;-6.35,-37.7,;-6.35,-36.17,;-7.68,-35.4,;-9.01,-36.18,;-7.68,-33.87,;-6.34,-33.09,;-5.01,-33.86,;-5.01,-35.4,;-3.68,-36.18,;-5.02,-38.47,;-3.69,-37.7,;4.31,-36.15,;5.65,-35.38,;4.31,-37.69,)|
BDBM50175754 CC(C)(C)N1CCC(CC1)Oc1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(7.47,-2.3,;6.15,-1.54,;5.38,-2.87,;6.92,-.21,;4.81,-.77,;3.48,-1.54,;2.15,-.77,;2.14,.77,;3.47,1.55,;4.81,.77,;.8,1.54,;-.53,.76,;-.52,-.79,;-1.86,-1.56,;-1.86,-3.1,;-3.19,-3.86,;-3.19,-5.4,;-1.86,-6.17,;-1.86,-7.71,;-.52,-5.4,;-.53,-3.86,;.8,-3.09,;-3.19,-.79,;-4.52,-1.57,;-5.86,-.79,;-5.86,.75,;-7.2,1.52,;-4.52,1.52,;-4.52,3.06,;-5.85,3.82,;-7.18,3.05,;-5.86,5.36,;-4.52,6.13,;-3.18,5.36,;-3.19,3.82,;-1.85,3.05,;-3.19,.75,;-1.86,1.52,)|
BDBM50175755 CC(C)(N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)C(O)=O |(34.29,-15.36,;33.51,-14.03,;32.74,-12.7,;32.18,-14.8,;32.18,-16.34,;30.85,-17.11,;29.51,-16.34,;29.51,-14.8,;30.84,-14.03,;28.18,-17.12,;28.18,-18.67,;26.85,-19.44,;26.85,-20.98,;25.51,-21.74,;25.51,-23.28,;26.85,-24.05,;26.85,-25.59,;28.18,-23.28,;28.18,-21.74,;29.51,-20.97,;25.51,-18.67,;24.18,-19.45,;22.84,-18.67,;22.84,-17.13,;21.51,-16.35,;24.18,-16.36,;24.18,-14.82,;22.85,-14.06,;21.52,-14.83,;22.85,-12.52,;24.19,-11.75,;25.52,-12.52,;25.52,-14.06,;26.85,-14.83,;25.51,-17.12,;26.84,-16.35,;34.84,-13.25,;36.18,-14.01,;34.83,-11.71,)|
BDBM50175756 COC(=O)C(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(20.15,-17.01,;20.14,-15.47,;18.8,-14.71,;18.79,-13.17,;17.48,-15.49,;18.25,-16.82,;16.7,-14.16,;16.14,-16.26,;16.14,-17.8,;14.81,-18.57,;13.47,-17.81,;13.47,-16.26,;14.81,-15.49,;12.14,-18.58,;12.15,-20.13,;10.81,-20.9,;10.81,-22.44,;9.48,-23.21,;9.47,-24.74,;10.81,-25.52,;10.81,-27.06,;12.15,-24.74,;12.14,-23.2,;13.47,-22.43,;9.48,-20.13,;8.15,-20.91,;6.81,-20.13,;6.81,-18.59,;5.47,-17.82,;8.14,-17.82,;8.15,-16.29,;6.82,-15.52,;5.49,-16.29,;6.81,-13.98,;8.15,-13.21,;9.49,-13.98,;9.48,-15.52,;10.82,-16.29,;9.47,-18.59,;10.81,-17.82,)|
BDBM50175757 C[C@H](N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)C(O)=O |wU:1.0,(22.43,-33.2,;22.43,-34.74,;21.1,-35.51,;21.1,-37.05,;19.77,-37.82,;18.43,-37.05,;18.42,-35.51,;19.76,-34.74,;17.1,-37.83,;17.1,-39.38,;15.76,-40.15,;15.77,-41.69,;14.43,-42.45,;14.43,-43.99,;15.76,-44.76,;15.76,-46.3,;17.1,-43.99,;17.1,-42.45,;18.43,-41.68,;14.43,-39.38,;13.1,-40.16,;11.76,-39.38,;11.76,-37.84,;10.43,-37.07,;13.1,-37.07,;13.1,-35.53,;11.77,-34.77,;10.44,-35.54,;11.77,-33.23,;13.11,-32.46,;14.44,-33.23,;14.44,-34.77,;15.77,-35.54,;14.43,-37.84,;15.76,-37.06,;23.76,-35.51,;25.1,-34.74,;23.76,-37.05,)|
BDBM50130655 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(Cl)c1
BDBM50130656 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@@H](C)c2ccccc2)c1
BDBM50130657 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H](C)c2ccccc2)c1
BDBM50130658 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(F)c1
BDBM50130663 Fc1ccc(cc1)-c1[nH]c(SCc2ccccc2)nc1-c1ccnc(Cl)c1
BDBM50164234 Nc1nc2ccc(cc2n1S(=O)(=O)C1CCCC1)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
BDBM50164235 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C
BDBM50164236 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C
BDBM50164237 CN(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
BDBM50164238 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1c(ncn1C)-c1ccc(F)cc1
BDBM50099371 CC(C)NC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099372 CN(C)C(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099373 CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099374 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2)n1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50114231 CCOC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50114232 Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)C(C)(C)C
BDBM50114233 CCCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50114234 Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)C(C)(C)C
BDBM50114243 CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50114244 Cn1nc(cc1NC(=O)Nc1ccc(CSc2ccncc2)cc1)C(C)(C)C
BDBM50152664 COC[C@@H](C)Nc1nccc(n1)-c1nn2CCOc2c1-c1ccc(F)cc1
BDBM50122372 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50122373 CCN1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
BDBM50122374 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1C)c1c(Cl)cccc1Cl
BDBM50122375 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1
BDBM50072400 COc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50072402 Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50122405 CN1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
BDBM50122406 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1cccc(C)c1)c1c(Cl)cccc1Cl
BDBM50122407 Clc1ccccc1-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
BDBM50122408 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1cccc(Cl)c1)c1c(Cl)cccc1Cl
BDBM50122409 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1F)c1c(Cl)cccc1Cl
BDBM50122400 Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC1)C1CC1
BDBM50122401 Clc1ccccc1-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1
BDBM50125589 Cc1ccccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1
BDBM50125590 Cc1ccc(cc1)-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1
BDBM50125591 Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccccc2)c2ncn(C)c2n1
BDBM50125592 Cc1cccc(c1)-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1
BDBM50125593 Cn1cnc2c(nc(nc12)-c1cc(F)cc(F)c1)N(C(N)=O)c1c(F)cccc1F
BDBM50125594 Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccc(F)cc2)c2ncn(C)c2n1
BDBM50125595 Cn1cnc2c(nc(nc12)-c1cccc(F)c1)N(C(N)=O)c1c(F)cccc1F
BDBM50125596 Cn1cnc2c(nc(nc12)-c1ccc(F)cc1)N(C(N)=O)c1c(F)cccc1F
BDBM50125597 CN(C)CCn1cnc2c(nc(nc12)-c1ccccc1F)N(C(N)=O)c1c(F)cccc1F
BDBM50125599 Cn1cnc2c(nc(nc12)-c1ccccc1)N(C(N)=O)c1c(F)cccc1F
BDBM50125600 Cn1cnc2c(nc(nc12)-c1ccccc1Cl)N(C(N)=O)c1c(F)cccc1F
BDBM50125601 Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccccc2Cl)c2ncn(C)c2n1
BDBM50125602 Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1
BDBM50125603 COc1ccccc1N(C(N)=O)c1nc(nc2n(C)cnc12)-c1ccc(F)cc1C
BDBM50125604 NC(=O)N(c1nc(nc2n(Cc3ccccc3)cnc12)-c1ccccc1F)c1c(F)cccc1F
BDBM50125605 Cn1cnc2c(nc(nc12)-c1ccc(F)cc1F)N(C(N)=O)c1c(F)cccc1F
BDBM50173166 Ic1ccc(cc1)C(=O)NCCCn1cnc(c1-c1ccncc1)-c1cccc(c1)N=[N+]=[N-]
BDBM50173167 CCCNc1nccc(n1)-c1c(nc2CC[C@@H](CO)n12)-c1ccc(F)cc1
BDBM50173168 COc1ccc(COC[C@@H]2CCc3nc(c(-c4ccnc(N)n4)n23)-c2ccc(F)cc2)cc1
BDBM50172918 Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1
BDBM50164232 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
BDBM50164233 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl
BDBM50125606 Cn1cnc2c(nc(nc12)-c1ccccc1F)N(C(N)=O)c1c(F)cccc1F
BDBM50125607 Cn1cnc2c(nc(nc12)-c1cccc(Cl)c1)N(C(N)=O)c1c(F)cccc1F
BDBM50125608 Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccc(Cl)cc2)c2ncn(C)c2n1
BDBM50099367 Oc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099368 CCC(=O)Nc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50099369 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(CC(=O)NN3CCCCC3)c2)n1
BDBM50099370 OC(=O)CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50072405 Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncn1
BDBM50064896 COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
BDBM50125598 Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2c(F)cc(F)cc2F)c2ncn(C)c2n1
BDBM50173169 CCCNc1nccc(n1)-c1c(nc2CC[C@H](CO)n12)-c1ccc(F)cc1
BDBM50173170 CCCNc1nccc(n1)-c1c(nc2CC[C@H](COCc3ccc(OC)cc3)n12)-c1ccc(F)cc1
BDBM50173171 Fc1ccc(cc1)-c1ncn(CCCNC(=O)c2ccccc2)c1-c1ccncc1
BDBM50153015 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
BDBM50240897 COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
BDBM50136901 CC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
BDBM50136902 Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)c(Cl)c1
BDBM50136903 Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1
BDBM50075794 [O-][N+](=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075782 OC(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075784 CCCCCCOc1ccccc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075785 CCOC(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075786 COc1ccccc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50153820 COCCOc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM50153821 Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccncc2)cc1
BDBM50153822 COc1ccc(cc1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1Cl
BDBM50153823 COc1ccc(cc1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1Br
BDBM50153824 COc1cc(cc(OC)c1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM50153825 CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
BDBM50153826 Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1
BDBM50153827 CCOCCOc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM50153828 Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cccnc2)cc1
BDBM50153829 Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
BDBM50153830 CCOc1ccc(cc1OCC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM50153838 CC(C)Oc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM50105762 O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1 |wU:1.0,wD:4.7,(10.94,3.96,;10.65,2.44,;11.82,1.44,;11.53,-.05,;10.06,-.57,;8.9,.42,;9.19,1.94,;9.76,-2.08,;10.81,-3.2,;10.09,-4.56,;8.59,-4.27,;8.39,-2.74,;7.06,-1.94,;7.08,-.4,;5.75,.4,;4.42,-.33,;4.39,-1.89,;3.04,-2.64,;1.73,-1.85,;.38,-2.6,;-.93,-1.82,;-.91,-.26,;.43,.48,;1.76,-.31,;5.7,-2.68,;7.51,-5.38,;6.02,-5,;4.95,-6.1,;5.38,-7.57,;4.32,-8.69,;6.86,-7.94,;7.94,-6.86,)|
BDBM50153839 COc1ccc(cc1OC)C(=O)N(C)c1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM50105761 CNc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(1.73,-1.85,;3.04,-2.64,;4.39,-1.89,;4.42,-.33,;5.75,.4,;7.08,-.4,;7.06,-1.94,;5.7,-2.68,;8.39,-2.74,;8.59,-4.27,;10.09,-4.56,;10.81,-3.2,;9.76,-2.08,;10.06,-.57,;11.53,-.05,;11.82,1.44,;10.65,2.44,;10.94,3.96,;9.19,1.94,;8.9,.42,;7.51,-5.38,;7.94,-6.86,;6.86,-7.94,;5.38,-7.57,;4.32,-8.69,;4.95,-6.1,;6.02,-5,)|
BDBM50091951 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccccc1
BDBM50091952 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(cc1)[N+]([O-])=O
BDBM50114235 Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccc(O)cc2)cc1)C(C)(C)C
BDBM50114236 Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccc(cc2)C(C)(C)C)cc1)C(C)(C)C
BDBM50075780 CC(C)c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075777 Clc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(Br)cc1
BDBM50075778 CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50075779 Cc1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50229971 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1
BDBM50105757 Nc1nccc(n1)-c1c(ncn1C1CCC(=O)CC1)-c1ccc(F)cc1
BDBM50105758 Nc1nccc(n1)-c1c(ncn1C1CCS(=O)(=O)CC1)-c1ccc(F)cc1
BDBM50153831 COc1ccc(cc1OC)C(=O)Nc1cccc(NC(=O)c2cccc(c2)N(C)C)c1
BDBM50153832 Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cscn2)cc1
BDBM50153833 Cc1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
BDBM50153834 CCOc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM50153835 CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1
BDBM50153836 COc1ccc(cc1OC)C(=O)Nc1ccc(C)c(NC(=O)c2cccc(c2)N(C)C)c1
BDBM50153837 COc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM50105759 Nc1nccc(n1)-c1c(ncn1C1CCN(CC(F)(F)F)CC1)-c1ccc(F)cc1
BDBM50105760 CNc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50114250 Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C
BDBM50114251 CCC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50114252 Cn1nc(cc1NC(=O)Nc1ccc(SCc2ccncc2)cc1)C(C)(C)C
BDBM50114253 CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50114254 Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)C
BDBM50114255 Cn1nc(cc1NC(=O)Nc1ccc(CCc2ccncc2)cc1)C(C)(C)C
BDBM50114256 Cn1nc(cc1NC(=O)Nc1ccc(Nc2ccncc2)cc1)C(C)(C)C
BDBM50229978 Nc1n[nH]c2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1
BDBM50152658 CC[C@@H](C)Nc1nccc(n1)-c1nn2CCOc2c1-c1ccc(F)cc1
BDBM50152659 Fc1ccc(cc1)-c1c([nH][nH]c1=O)-c1ccncc1
BDBM50152660 Fc1ccc(cc1)-c1c(nn2CCCOc12)-c1ccnc(Oc2ccccc2)n1
BDBM50152661 C[C@@H](Nc1nccc(n1)-c1nn2CCOc2c1-c1ccc(F)cc1)c1ccccc1
BDBM50152662 Fc1ccc(cc1)-c1c(nn2CCOc12)-c1ccnc(Oc2ccccc2)n1
BDBM50152663 Fc1ccc(cc1)-c1c2OCCCn2nc1-c1ccncc1
BDBM50164228 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1
BDBM50071899 Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50114245 Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccncc2)cc1)C(C)(C)C
BDBM50114246 Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC(O)=O)cc2)cc1)C(C)(C)C
BDBM50218820 CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(cc12)C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F
BDBM50218821 COc1nc2[nH]cc(C(=O)C(=O)N3CCC(O)C3)c2cc1C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F
BDBM50218822 Clc1ccccc1-n1ncc2CN(CCc12)C(=O)c1c[nH]c2ccccc12
BDBM50218823 CN(C)C(=O)C(=O)c1c[nH]c2ccc(cc12)C(=O)N1CCc2c(C1)cnn2-c1ccccc1Cl
BDBM50218824 COc1cc2n(C)cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F
BDBM50218825 Cn1ccc2cc(C(=O)N3CCn4c(C3)cnc4-c3ccc(F)cc3F)c(Cl)cc12
BDBM50218826 COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F
BDBM50218827 Clc1ccccc1-n1ncc2CN(CCc12)C(=O)c1ccc2cc[nH]c2c1
BDBM50218828 CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(cc12)C(=O)N1CCc2c(C1)cnn2-c1ccccc1Cl
BDBM50218829 COc1nc2n(C)cc(C(=O)C(=O)N3CCC(O)C3)c2cc1C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F |w:16.16|
BDBM50218830 Clc1ccccc1-n1ncc2CN(CCc12)C(=O)c1c(Cl)cccc1Cl
BDBM50218831 COc1nc2[nH]ccc2cc1C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F
BDBM50218833 CC(C)n1ccc2cc(ccc12)C(=O)N1CCc2c(C1)cnn2-c1ccccc1Cl
BDBM50218834 CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(cc12)C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F
BDBM50218835 Cn1ccc2cc(ccc12)C(=O)N1CCc2c(C1)cnn2-c1ccccc1Cl
BDBM50218836 Fc1cccc(F)c1C(=O)N1CCc2c(C1)cnn2-c1ccccc1Cl
BDBM50218837 COc1nc2[nH]ccc2cc1C(=O)N1CCc2c(C1)cnn2-c1ccccc1Cl
BDBM50218838 Cn1cc(C(=O)N2CCc3c(C2)cnn3-c2ccccc2Cl)c2ccccc12
BDBM50218839 Cn1ccc2cc(C(=O)N3CCc4c(C3)cnn4-c3ccccc3Cl)c(Cl)cc12
BDBM50136891 O=C(c1ccccc1)c1ccc(Nc2ccccc2)cc1
BDBM50136892 Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1-c1ccccc1
BDBM50136893 Cc1cccc(c1)C(=O)c1ccc(Nc2ccccc2N)cc1
BDBM50136894 Cc1ccccc1Cc1ccc(Nc2ccc(F)cc2N)cc1Cl
BDBM50135292 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2ccccc2Cl)cc1
BDBM50135293 COC(=O)c1cc(C)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135294 Cc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc12
BDBM50218840 Clc1ccccc1-n1ncc2CN(CCc12)C(=O)c1cccc2[nH]ccc12
BDBM50071867 CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50071894 CSc1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50115209 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
BDBM50115216 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(N)c1
BDBM50164229 CC(C)(C)c1nc(c([nH]1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)(C)C)-c1ccc(F)cc1F
BDBM50164230 CC(C)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
BDBM50164231 CC(C)CN1CCC(CC1)c1nc(c([nH]1)-c1ccccc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
BDBM50135298 Cc1cccc(C)c1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135299 NC(=O)Oc1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135300 Nc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135301 Clc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccccc3)ccc12
BDBM50135302 CC(=O)c1cc(C)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135303 Clc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135304 Clc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(Cl)c1
BDBM50135291 CN(C)CCNC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135295 FC(F)(F)c1cccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c1
BDBM50135296 COC(=O)c1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc12
BDBM50135297 FC(F)(F)c1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50136895 CN(c1ccc(C(=O)c2ccccc2C)c(Cl)c1)c1ccccc1N
BDBM50136896 Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)c(C)c1
BDBM50136897 Cc1ccccc1C(=O)c1ccc(Nc2ccccc2)cc1Cl
BDBM50136898 Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1C
BDBM50136899 Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1Br
BDBM50136900 CCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
BDBM50114241 Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C(C)(C)C
BDBM50114242 CC(C)OC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50091935 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
BDBM50091936 COc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50091931 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(c1)[N+]([O-])=O
BDBM50091932 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(Cl)cc1
BDBM50091933 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(cc1)S(C)(=O)=O
BDBM50091934 Cn1nc(cc1NC(=O)Nc1cc(Br)cc(Br)c1)C(C)(C)C
BDBM50091953 CCCCOC(=O)c1ccc(NC(=O)Nc2cc(nn2C)C(C)(C)C)cc1
BDBM50091954 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(N)cc1
BDBM50148672 C1Cc2c(c(nn2C1)-c1ccccn1)-c1ccnc2ccccc12 |(3.84,2.2,;3.4,.74,;4.66,-.12,;5.17,-1.57,;6.7,-1.53,;7.15,-.05,;5.87,.81,;5.36,2.25,;7.65,-2.75,;7.05,-4.17,;8.01,-5.39,;9.53,-5.19,;10.11,-3.75,;9.17,-2.54,;4.24,-2.8,;4.84,-4.22,;3.91,-5.45,;2.39,-5.26,;1.79,-3.84,;.26,-3.66,;-.34,-2.24,;.59,-1.01,;2.1,-1.19,;2.7,-2.61,)|
BDBM50148673 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc(cc1)S(C)(=O)=O
BDBM50165867 CCOCn1oc(=O)c(c1-c1ccnc(N[C@H](C)c2ccccc2)n1)-c1ccc(F)cc1
BDBM50165869 CCOCn1oc(=O)c(c1-c1ccnc(Oc2cccc(O)c2)n1)-c1ccc(F)cc1
BDBM50255908 Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCOCC1
BDBM50255909 CN1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
BDBM50153851 Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1cc(Cl)ncn1
BDBM50165872 Fc1ccc(cc1)-c1c(-c2ccnc(Oc3ccccc3)n2)n(CC=O)oc1=O
BDBM50255957 CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
BDBM50255958 Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCN(CC1)S(C)(=O)=O
BDBM50136882 Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1
BDBM50136883 Cc1ccccc1C(=O)c1ccc(Nc2ccccc2[N+]([O-])=O)cc1Cl
BDBM50136884 Cc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
BDBM50136889 Cc1ccccc1C(=C)c1ccc(Nc2ccccc2N)cc1Cl
BDBM50136890 Cc1ccccc1C(=O)c1ccc(Nc2ccc(F)cc2C)cc1Cl
BDBM50232723 Cc1ccccc1-c1c(-c2ccncc2)c2ccccc2[nH]c1=O |(1.24,-15.15,;-.1,-14.38,;-.1,-12.84,;-1.44,-12.08,;-2.78,-12.87,;-2.76,-14.4,;-1.43,-15.16,;-1.42,-16.7,;-2.74,-17.47,;-4.07,-16.7,;-5.41,-17.47,;-6.75,-16.7,;-6.74,-15.16,;-5.41,-14.38,;-4.08,-15.15,;-2.74,-19.01,;-4.06,-19.78,;-4.06,-21.31,;-2.72,-22.08,;-1.4,-21.31,;-1.41,-19.78,;-.07,-19.01,;-.08,-17.46,;1.25,-16.68,)|
BDBM50232724 CC#Cn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
BDBM50175743 COC(=O)C(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(5.53,-14.57,;4.19,-13.8,;2.86,-14.57,;2.86,-16.11,;1.53,-13.8,;1.53,-12.26,;.19,-14.57,;.19,-16.12,;-1.14,-16.88,;-2.48,-16.12,;-2.48,-14.58,;-1.14,-13.81,;-3.81,-16.89,;-3.8,-18.44,;-5.14,-19.21,;-5.14,-20.75,;-6.47,-21.52,;-6.48,-23.06,;-5.14,-23.83,;-5.14,-25.37,;-3.8,-23.05,;-3.81,-21.52,;-2.48,-20.74,;-6.48,-18.44,;-7.8,-19.22,;-9.14,-18.44,;-9.14,-16.9,;-10.48,-16.13,;-7.81,-16.13,;-7.8,-14.6,;-9.13,-13.83,;-10.47,-14.6,;-9.14,-12.3,;-7.8,-11.52,;-6.47,-12.29,;-6.47,-13.83,;-5.14,-14.6,;-6.48,-16.9,;-5.14,-16.13,)|
BDBM50175744 CC(C)(C)N1CCC(=CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |c:7,(18.29,-14.38,;16.96,-15.16,;17.74,-16.49,;16.19,-13.83,;15.63,-15.93,;15.63,-17.47,;14.3,-18.24,;12.96,-17.47,;12.96,-15.93,;14.29,-15.16,;11.63,-18.24,;11.63,-19.8,;10.3,-20.57,;10.3,-22.1,;8.96,-22.87,;8.96,-24.41,;10.3,-25.18,;10.3,-26.72,;11.63,-24.4,;11.63,-22.87,;12.96,-22.09,;8.96,-19.8,;7.63,-20.57,;6.29,-19.8,;6.29,-18.25,;4.96,-17.48,;7.63,-17.48,;7.63,-15.95,;6.3,-15.19,;4.97,-15.96,;6.3,-13.65,;7.64,-12.87,;8.97,-13.64,;8.97,-15.18,;10.3,-15.96,;8.96,-18.25,;10.29,-17.48,)|
BDBM50175745 CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(5.3,.54,;3.97,-.23,;4.75,-1.56,;3.2,1.1,;2.64,-1,;2.64,-2.54,;1.31,-3.31,;-.03,-2.54,;-.04,-1.01,;1.3,-.23,;-1.36,-3.31,;-1.35,-4.86,;-2.69,-5.64,;-2.69,-7.17,;-4.03,-7.94,;-4.03,-9.48,;-2.69,-10.25,;-2.69,-11.79,;-1.35,-9.47,;-1.36,-7.94,;-.03,-7.16,;-4.03,-4.86,;-5.36,-5.63,;-6.69,-4.85,;-6.69,-3.31,;-8.02,-2.53,;-5.34,-2.55,;-5.33,-1.01,;-6.66,-.24,;-8,-1,;-6.66,1.3,;-5.31,2.07,;-3.98,1.29,;-3.99,-.25,;-2.67,-1.03,;-4.02,-3.32,;-2.69,-2.55,)|
BDBM50175746 CC(C)(C)N1CCC(CC1)Oc1cc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2c1 |(32.39,-2.03,;31.06,-1.27,;30.29,-2.6,;31.84,.06,;29.73,-.5,;28.39,-1.26,;27.06,-.5,;27.05,1.04,;28.39,1.82,;29.73,1.05,;25.72,1.81,;24.39,1.03,;24.39,-.52,;23.06,-1.29,;23.06,-2.82,;21.72,-3.59,;21.72,-5.13,;23.06,-5.9,;23.06,-7.44,;24.39,-5.12,;24.39,-3.59,;25.72,-2.82,;21.72,-.52,;20.39,-1.29,;19.05,-.52,;19.05,1.03,;17.72,1.8,;20.39,1.79,;20.39,3.33,;19.06,4.09,;17.73,3.32,;19.06,5.63,;20.4,6.41,;21.73,5.63,;21.73,4.09,;23.06,3.32,;21.72,1.03,;23.05,1.8,)|
BDBM50175747 CC(C)(C)N1CCC(CC1)c1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(19.17,-37.34,;17.84,-38.12,;18.62,-39.45,;17.07,-36.79,;16.51,-38.89,;16.51,-40.43,;15.18,-41.2,;13.84,-40.43,;13.83,-38.89,;15.17,-38.12,;12.51,-41.21,;12.51,-42.76,;11.17,-43.53,;11.18,-45.07,;9.84,-45.84,;9.84,-47.37,;11.17,-48.15,;12.51,-47.37,;12.51,-45.83,;13.84,-45.06,;9.84,-42.76,;8.51,-43.54,;7.17,-42.76,;7.17,-41.22,;5.84,-40.45,;8.51,-40.45,;8.51,-38.92,;7.18,-38.15,;5.85,-38.92,;7.18,-36.61,;8.52,-35.84,;9.85,-36.61,;9.85,-38.15,;11.18,-38.92,;9.84,-41.22,;11.17,-40.45,)|
BDBM50175748 CN1C2CCC1CC(C2)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |THB:9:7:1:3.4,(34.88,5.72,;33.46,5.13,;31.9,5.09,;30.71,6.25,;31.25,4.99,;32.49,4.2,;32.27,2.46,;30.7,2.41,;31.64,3.27,;29.37,1.64,;29.38,.09,;28.04,-.68,;28.05,-2.22,;26.71,-2.98,;26.71,-4.52,;28.04,-5.29,;28.04,-6.83,;29.38,-4.52,;29.37,-2.98,;30.7,-2.21,;26.71,.09,;25.38,-.69,;24.04,.09,;24.04,1.63,;22.71,2.4,;25.38,2.4,;25.38,3.93,;24.05,4.7,;22.72,3.93,;24.05,6.23,;25.39,7.01,;26.72,6.24,;26.72,4.7,;28.05,3.93,;26.71,1.63,;28.04,2.4,)|
BDBM50175749 CC(C)(C)N1CCC(CC1)Oc1cc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(31.06,-19.78,;29.74,-19.02,;28.97,-20.35,;30.51,-17.69,;28.4,-18.25,;27.07,-19.02,;25.74,-18.25,;25.73,-16.71,;27.06,-15.93,;28.4,-16.71,;24.39,-15.94,;23.06,-16.72,;23.07,-18.27,;21.73,-19.04,;21.73,-20.57,;20.4,-21.34,;20.4,-22.88,;21.73,-23.65,;21.73,-25.19,;23.07,-22.87,;23.06,-21.34,;24.4,-20.57,;20.4,-18.27,;19.07,-19.05,;17.73,-18.27,;17.73,-16.73,;16.4,-15.95,;19.07,-15.96,;19.07,-14.42,;17.74,-13.66,;16.41,-14.43,;17.74,-12.12,;19.07,-11.35,;20.41,-12.12,;20.41,-13.66,;21.74,-14.43,;20.4,-16.72,;21.73,-15.95,)|
BDBM50175742 Fc1ccc(c(Cl)c1)-c1cc(cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12)C1CC2CCC(C1)N2 |TLB:10:27:34:30.31,(12.26,-6.73,;12.26,-5.19,;10.92,-4.42,;10.93,-2.88,;12.26,-2.12,;13.59,-2.88,;14.92,-2.11,;13.6,-4.42,;12.26,-.58,;13.59,.19,;13.59,1.74,;12.25,2.5,;10.92,1.73,;9.59,2.5,;9.6,4.03,;8.27,4.8,;6.94,4.03,;8.26,6.33,;9.6,7.11,;10.93,6.34,;10.93,4.8,;12.26,4.03,;8.26,1.73,;6.92,2.5,;8.26,.19,;9.6,-.59,;10.92,.19,;14.92,2.51,;15.86,3.37,;16.12,5.19,;14.93,6.36,;15.46,5.1,;16.7,4.31,;16.49,2.56,;17.68,5.23,)|
BDBM50130641 Fc1ccc(cc1)-c1[nH]c(SCc2ccccc2)nc1-c1ccnc(F)c1
BDBM50252781 CC(C)Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50252774 C[C@H]1CN(CCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12)C(C)=O |r|
BDBM50252775 CC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
BDBM50252776 CCNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
BDBM50252777 CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
BDBM50252778 Cc1ccc(cc1-c1ccc2c(nncc2c1)N1CCOCC1)C(=O)NC1CC1
BDBM50252779 C[C@H]1COCCN1c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 |r|
BDBM50240614 COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O)c2=O
BDBM50153843 Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
BDBM50153844 Cc1nc(COc2ccc(cc2)C(=O)Nc2cc(NC(=O)c3cc(F)cc(c3)N3CCOCC3)ccc2C)cs1
BDBM50153845 Cc1nc(COc2ccc(cc2)C(=O)Nc2cc(NC(=O)c3cccc(c3)N3CCOCC3)ccc2C)cs1
BDBM50153846 Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cscn2)cc1
BDBM50153847 Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
BDBM50153848 Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
BDBM50153849 COc1ccc(cc1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
BDBM206344 CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
BDBM206345 CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
BDBM50135305 Nc1cc(F)ccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135306 Cc1cc(cc(Cl)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc12)[N+]([O-])=O
BDBM50135307 Clc1ccc(Cl)c(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c1
BDBM50241115 Nc1ccccc1Nc1ccc2c(OCc3ccccc3C2=O)c1
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50071873 CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50071875 Fc1ccc(cc1)-c1cc(oc1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50265153 CCCCn1c(=O)[nH]c2cc(ccc2c1=O)-c1cc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1C
BDBM50241111 Nc1cc(F)ccc1Nc1ccc2c(OCc3ccccc3C2=O)c1
BDBM50164239 CCc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
BDBM50164240 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc[nH]c1-c1ccc(F)cc1
BDBM50164241 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50122395 Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC2CC2)CC1
BDBM50156849 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CC(C)O)-c1ccc(F)cc1
BDBM50262820 Cc1ccc(NC(=O)C2CCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50252183 COc1ccc(CNc2nccc(n2)-c2nc(Cc3cccc(c3)C#N)[nH]c2-c2ccc(F)cc2)cc1
BDBM50252184 Nc1nccc(n1)-c1nc(Cc2cccc(c2)C#N)[nH]c1-c1ccc(F)cc1
BDBM50252185 C[C@H](Nc1nccc(n1)-c1nc(Cc2cccc(c2)C#N)[nH]c1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50248888 Nc1ccccc1Nc1ccc2c(c1)ccc1ncccc1c2=O
BDBM50248913 Fc1ccc(Nc2ccc3c(CCc4ncccc4C3=O)c2)c(F)c1
BDBM50248914 Nc1ccccc1Nc1ccc2c(c1)ccc1ccncc1c2=O
BDBM50248915 Nc1ccccc1Nc1ccc2c(CCc3cccnc3C2=O)c1
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|
BDBM50252226 NC(=O)c1cccc(Cc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccnc(NC3CC3)n2)c1
BDBM50252132 C[C@H](Nc1nccc(n1)-c1c(ncn1Cc1cccc(c1)C(N)=O)-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50252133 NC(=O)c1cccc(Cn2cnc(c2-c2ccnc(NC3CC3)n2)-c2ccc(F)cc2)c1
BDBM50114691 CS(=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(n1)-c1ccncc1
BDBM50114693 CS(=O)c1cccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1
BDBM50248858 Nc1cc(F)ccc1Nc1ccc2c(CCc3ccccc3C2=O)c1
BDBM50248859 Fc1ccc(Nc2ccc3c(CCc4ccccc4C3=O)c2)c(F)c1
BDBM50252223 Fc1ccc(cc1)-c1[nH]c(Cc2cccc(c2)C#N)nc1-c1ccnc(NC2CC2)n1
BDBM50252224 COc1nccc(n1)-c1nc(Cc2cccc(c2)C#N)[nH]c1-c1ccc(F)cc1
BDBM50252225 C[C@H](Nc1nccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50132976 Cc1cccc(n1)-c1n[nH]cc1-c1ccc(F)cc1
BDBM50132977 Cc1cccc(n1)-c1n[nH]cc1-c1ccccc1
BDBM50266947 C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r|
BDBM50132978 c1[nH]nc(c1-c1ccccc1)-c1ccccn1
BDBM50132979 C(c1ccccc1)n1cc(c(n1)-c1ccccn1)-c1ccnc2ccccc12
BDBM50132980 Fc1ccc(nc1)-c1n[nH]cc1-c1ccnc2ccccc12
BDBM50132981 Cc1[nH]nc(c1-c1ccnc2ccccc12)-c1cccc(C)n1 |(7.05,-2.76,;8.52,-3.22,;9.75,-2.33,;11,-3.22,;10.52,-4.69,;8.98,-4.69,;8.07,-5.94,;8.7,-7.35,;7.79,-8.59,;6.25,-8.42,;5.65,-7.02,;4.11,-6.86,;3.5,-5.44,;4.41,-4.2,;5.94,-4.37,;6.55,-5.78,;11.43,-5.94,;10.79,-7.34,;11.69,-8.59,;13.22,-8.42,;13.85,-7.02,;15.34,-6.6,;12.94,-5.78,)|
BDBM50132982 c1[nH]nc(c1-c1ccccn1)-c1ccnc2ccccc12
BDBM50132984 c1csc(c1)-c1n[nH]cc1-c1ccnc2ccccc12
BDBM50075773 CC(C)(C)c1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075774 Clc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccccc1
BDBM50075775 CCCOc1ccc(Br)cc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075776 Nc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50262673 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1nccs1
BDBM50207854 CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C
BDBM50132991 Fc1ccc(cc1)-c1c[nH]nc1-c1ccccn1
BDBM50132992 Cc1cccc(n1)-c1n[nH]cc1-c1ccc(O)cc1
BDBM50132993 c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccc1
BDBM50132994 Cc1cccc(n1)-c1n[nH]cc1-c1ccc(Cl)cc1
BDBM50132995 Cc1cccc(n1)-c1n[nH]cc1-c1ccc(F)c(F)c1
BDBM50132985 Clc1ccc(nc1)-c1n[nH]cc1-c1ccnc2ccccc12
BDBM50132987 COc1ccc(cc1)-c1cn(C)nc1-c1cccc(C)n1
BDBM50132988 Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
BDBM50132989 Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
BDBM50132990 C1CC1c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1 |(2.71,-.22,;2.22,-1.7,;3.73,-1.36,;5.19,-1.83,;6.44,-.93,;7.68,-1.83,;7.21,-3.3,;5.67,-3.3,;4.76,-4.55,;5.37,-5.96,;4.46,-7.19,;2.92,-7.03,;2.32,-5.63,;.78,-5.47,;.17,-4.04,;1.08,-2.81,;2.62,-2.97,;3.23,-4.39,;8.1,-4.55,;7.47,-5.95,;8.38,-7.19,;9.9,-7.03,;10.53,-5.62,;9.62,-4.39,)|
BDBM50105763 CCNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1
BDBM50105764 CCOc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50105765 Nc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:12.13,wD:15.17,(1.9,1.09,;3.25,1.84,;3.27,3.4,;4.62,4.13,;5.95,3.33,;5.91,1.79,;4.56,1.05,;7.24,1,;7.45,-.54,;8.94,-.82,;9.68,.53,;8.63,1.65,;8.92,3.17,;7.75,4.15,;8.06,5.69,;9.52,6.17,;9.81,7.68,;10.67,5.17,;10.39,3.66,;6.38,-1.64,;6.8,-3.13,;5.72,-4.22,;4.25,-3.83,;3.18,-4.95,;3.81,-2.36,;4.88,-1.27,)|
BDBM50264956 Cc1ccc(cc1-c1ccc(cc1)-c1csc(N)n1)C(=O)NC1CC1
BDBM50264957 Cc1ccc(cc1-c1ccc(cc1)-c1csc(N)n1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50122376 Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC2CCC2)CC1
BDBM50122386 Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
BDBM50122387 Fc1ccc(c(Cl)c1)-c1cc(OC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM50122388 COc1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
BDBM50194691 CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
BDBM50194693 Cc1ccccc1-c1ccc2nc(N)ncc2c1
BDBM50194694 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc2CCCc12
BDBM50194695 Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50156740 Cc1ccc(cc1Nc1nc(N)nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)n1)C(N)=O |r|
BDBM50156741 CC(C)CN(C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r|
BDBM50156742 CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCN(C)CC2)N(C)CC(C)(C)C)c1
BDBM50156743 CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NO)n1 |r|
BDBM50156744 CN(CC1CCCCC1)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r|
BDBM50156745 COC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r|
BDBM50156746 CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NC2CCCC2)n1 |r|
BDBM50156747 CC(C)CNc1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r|
BDBM50156748 COCCNC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r|
BDBM50156749 Cc1ccc(cc1Nc1nc(NCCc2ccc(F)cc2)nc(N[C@H]2CCNC2)n1)C(N)=O |r|
BDBM50156750 CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCNCC2)N(C)CC(C)(C)C)c1
BDBM50156751 CN1CCCN(CC1)c1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Nc2cc(ccc2C)C(N)=O)n1 |r|
BDBM50275499 Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
BDBM50130665 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)c2ccccc2)c1
BDBM50175239 O=C(NC1CCCCC1)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50122381 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(cc1)C(F)(F)F)c1c(Cl)cccc1Cl
BDBM50122382 CC(C1CC1)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
BDBM50122383 Fc1ccc(c(F)c1)-c1cc(NC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM50122384 Clc1ccccc1-c1cc(OC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM50122389 CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
BDBM50122402 COc1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl
BDBM50122390 Fc1ccc(c(Cl)c1)-c1cc(CN2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM50122391 Clc1ccccc1-c1cc(NC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM50122392 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(C)cc1)c1c(Cl)cccc1Cl
BDBM50122393 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(Cl)cc1)c1c(Cl)cccc1Cl
BDBM50122394 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1cccc(F)c1)c1c(Cl)cccc1Cl
BDBM50122403 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl
BDBM50122404 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1C)c1c(Cl)cccc1Cl
BDBM50091930 CC(=O)Nc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50099351 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)C(F)(F)F)n1
BDBM50099352 Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50156752 Cc1ccc(cc1Nc1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(N[C@H]2CCNC2)n1)C(N)=O |r|
BDBM50116033 Fc1ccc(cc1)-c1[nH]ccc1-c1ccncc1
BDBM50075761 Cc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075762 Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)-c1ccccc1
BDBM50172922 OC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50164242 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)C1CCNCC1
BDBM50130632 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
BDBM50262783 Cc1ccc(NC(=O)C2CCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50251895 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(Cc2ccccc2)Cc2ccccc2)c1
BDBM50251896 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccc(cc2)C(C)(C)C)c1
BDBM50175237 CCCCN(C)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50175241 COc1ccc(CNC(=O)c2cc3c(n[nH]c3s2)-c2ccccc2)cc1
BDBM50194668 Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50194669 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
BDBM50194671 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
BDBM50194672 Cc1ccc(cc1-c1ccc2nc(Nc3ccccc3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50194673 Cc1ccc(cc1-c1ccc2nc(NCCN3CCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50194674 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
BDBM50194675 CN1CCC(CC1)Nc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50194676 CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C
BDBM50194677 CN(CCCN1CCOCC1)c1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50194678 Cc1ccc(cc1-c1ccc2nc(NCCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50194689 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1C)C(F)(F)F
BDBM50153870 COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2cc1OC
BDBM50255906 COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
BDBM50153864 COc1cc2ncnc(Nc3cccc(NC(=O)c4ccccc4)c3)c2cc1OC
BDBM50153865 COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCOCC1
BDBM50153866 COc1cc2ncnc(Nc3cccc(NC(=O)c4ccccc4)c3F)c2cc1OC
BDBM50153867 CCCN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
BDBM50175750 CC(C)N1C2CCC1CC(C2)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |THB:11:9:3:5.6,(3.56,-16.01,;2.34,-15.07,;2.54,-13.55,;.92,-15.66,;-.64,-15.7,;-1.83,-14.54,;-1.3,-15.8,;-.06,-16.59,;-.27,-18.33,;-1.84,-18.38,;-.9,-17.52,;-3.17,-19.15,;-3.17,-20.7,;-4.5,-21.48,;-4.5,-23.01,;-5.84,-23.78,;-5.84,-25.32,;-4.5,-26.09,;-4.5,-27.63,;-3.17,-25.31,;-3.17,-23.78,;-1.84,-23,;-5.84,-20.71,;-7.17,-21.48,;-8.51,-20.71,;-8.51,-19.16,;-9.84,-18.39,;-7.17,-18.39,;-7.17,-16.86,;-8.5,-16.1,;-9.83,-16.87,;-8.5,-14.56,;-7.16,-13.78,;-5.83,-14.55,;-5.83,-16.09,;-4.5,-16.87,;-5.84,-19.16,;-4.51,-18.39,)|
BDBM50175751 CC(C)(C)N1CCC(CC1)c1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(18.46,6,;17.14,5.23,;17.91,3.89,;16.36,6.56,;15.8,4.46,;15.8,2.92,;14.47,2.15,;13.13,2.91,;13.13,4.45,;14.47,5.22,;11.8,2.14,;10.47,2.9,;9.13,2.13,;7.8,2.9,;7.8,4.43,;6.48,5.2,;5.14,4.43,;6.47,6.73,;7.81,7.52,;9.14,6.74,;9.14,5.2,;10.47,4.43,;6.46,2.13,;5.13,2.9,;6.47,.59,;7.8,-.19,;9.13,.59,;10.47,-.18,;11.81,.59,;10.47,-1.72,;9.13,-2.49,;9.13,-4.03,;10.47,-4.8,;10.47,-6.34,;11.81,-4.02,;11.8,-2.48,;13.13,-1.71,)|
BDBM50175752 CC(C)(C)N1CCC(CC1)Oc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(6.9,-20.6,;5.57,-19.84,;4.8,-21.17,;6.35,-18.51,;4.24,-19.07,;2.9,-19.84,;1.57,-19.07,;1.56,-17.53,;2.9,-16.75,;4.24,-17.53,;.23,-16.76,;-1.1,-17.54,;-1.1,-19.09,;-2.43,-19.86,;-2.43,-21.4,;-3.77,-22.16,;-3.77,-23.7,;-2.44,-24.47,;-1.1,-23.7,;-1.1,-22.16,;.23,-21.39,;-3.77,-19.09,;-5.1,-19.87,;-6.44,-19.09,;-6.44,-17.55,;-7.77,-16.77,;-5.1,-16.78,;-5.1,-15.24,;-6.43,-14.48,;-7.76,-15.25,;-6.43,-12.94,;-5.09,-12.17,;-3.76,-12.94,;-3.76,-14.48,;-2.43,-15.25,;-3.77,-17.54,;-2.44,-16.77,)|
BDBM50175758 CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(36.13,-13.37,;34.8,-14.15,;35.58,-15.48,;34.03,-12.81,;33.47,-14.92,;33.47,-16.46,;32.14,-17.22,;30.8,-16.46,;30.79,-14.92,;32.13,-14.15,;29.47,-17.23,;29.47,-18.78,;28.13,-19.55,;28.14,-21.09,;26.8,-21.86,;26.8,-23.4,;28.13,-24.17,;28.14,-25.71,;29.47,-23.39,;29.47,-21.85,;30.8,-21.08,;26.8,-18.78,;25.47,-19.56,;24.13,-18.79,;24.13,-17.24,;22.8,-16.47,;25.47,-16.47,;25.47,-14.94,;24.14,-14.17,;22.81,-14.95,;24.14,-12.64,;25.48,-11.86,;26.81,-12.63,;26.81,-14.17,;28.14,-14.94,;26.8,-17.24,;28.13,-16.47,)|
BDBM50175761 CC(C)(C)N1CCC(CC1)c1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccc(F)cc1Cl |(3.3,5.4,;1.97,4.62,;2.74,3.29,;1.2,5.95,;.64,3.85,;.63,2.31,;-.69,1.54,;-2.04,2.31,;-2.04,3.85,;-.7,4.62,;-3.37,1.53,;-4.7,2.3,;-6.03,1.52,;-7.36,2.29,;-7.36,3.83,;-8.69,4.59,;-10.02,3.82,;-8.7,6.13,;-7.36,6.9,;-6.02,6.13,;-6.02,4.59,;-4.69,3.82,;-8.7,1.52,;-10.04,2.29,;-8.7,-.02,;-7.36,-.8,;-6.03,-.02,;-4.7,-.79,;-3.36,-.02,;-4.7,-2.33,;-6.03,-3.1,;-6.03,-4.63,;-4.7,-5.41,;-4.7,-6.95,;-3.36,-4.63,;-3.37,-3.09,;-2.03,-2.32,)|
BDBM50175762 CC1(C)CC(=CC(C)(C)N1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |c:4,(2.04,.58,;2.06,2.12,;3.39,2.89,;.73,1.35,;-.61,2.12,;-.61,3.66,;.72,4.43,;2.05,5.21,;-.61,5.2,;2.06,3.66,;-1.94,1.34,;-1.94,-.21,;-3.27,-.98,;-3.27,-2.51,;-4.61,-3.28,;-4.61,-4.82,;-3.27,-5.59,;-3.27,-7.13,;-1.94,-4.81,;-1.94,-3.28,;-.61,-2.5,;-4.61,-.21,;-5.94,-.98,;-7.28,-.21,;-7.28,1.34,;-8.61,2.11,;-5.94,2.1,;-5.94,3.64,;-7.27,4.4,;-8.6,3.63,;-7.27,5.94,;-5.93,6.72,;-4.6,5.94,;-4.6,4.41,;-3.27,3.63,;-4.61,1.34,;-3.28,2.11,)|
BDBM50175234 O=C(NCCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50091941 CCOC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50091942 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)c(s1)-c1ccccc1
BDBM50091943 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)[nH]n1
BDBM50122379 CC(C)(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
BDBM50122380 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1c(F)cccc1F)c1c(Cl)cccc1Cl |(15.1,-4.6,;15.1,-3.06,;13.77,-2.29,;13.77,-.75,;12.42,-3.06,;11.09,-2.29,;9.76,-3.06,;8.43,-2.29,;7.09,-3.06,;5.75,-2.29,;7.09,-4.6,;8.43,-5.37,;9.76,-4.6,;11.09,-5.37,;12.42,-4.6,;11.09,-6.91,;12.42,-7.68,;13.75,-6.91,;12.42,-9.22,;11.09,-9.99,;9.75,-9.22,;9.75,-7.68,;8.41,-6.91,;8.43,-.73,;9.76,.04,;11.11,-.75,;9.76,1.58,;8.43,2.35,;7.09,1.58,;7.09,.04,;5.75,-.75,)|
BDBM50122385 Clc1ccccc1-c1cc(CN2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM50099357 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Cl)c(Cl)c2)n1
BDBM50099358 Oc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50099359 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Oc3ccccc3)cc2)n1
BDBM50122377 Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC1)C1CCC1
BDBM50122378 Clc1ccccc1-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1
BDBM50241114 Fc1ccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)c(F)c1
BDBM50122396 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1cccc(c1)C(F)(F)F)c1c(Cl)cccc1Cl
BDBM50122397 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1)c1c(Cl)cccc1Cl
BDBM50122398 Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C(=O)N1CCNCC1
BDBM50122399 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1)c1c(Cl)cccc1Cl
BDBM142019 COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(c1)C#C
BDBM50099339 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cc(F)cc(F)c2)n1
BDBM50099340 CC(C)(C)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099329 NC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099330 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(OCc3ccccc3)cc2)n1
BDBM50099331 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1
BDBM50099332 OC(=O)Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099333 Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099334 COc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50099335 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(F)(F)F)n1
BDBM50099336 CS(=O)(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099337 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)C#N)n1
BDBM50099338 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc3OCOc3c2)n1
BDBM50156736 Cc1ccc(cc1Nc1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(n1)N1CCCNCC1)C(N)=O |r|
BDBM50156737 CC(C)NC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r|
BDBM50156738 CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCNCC2)N(C)CC(C)(C)C)c1
BDBM50156739 CC(CN(C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1)c1ccccc1 |r|
BDBM50156753 CN(CC(C)(C)C)c1nc(Nc2cc(ccc2C)C(O)=O)nc(n1)N1CCCN(C)CC1
BDBM50156754 CONC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r|
BDBM50156755 CCNC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r|
BDBM50156756 CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NCc2ccccc2)n1 |r|
BDBM50156757 CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r|
BDBM50114247 CC(C)CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50114248 Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)C(C)(C)C
BDBM50114249 Cc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50099341 COc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099342 Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50099343 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2F)n1
BDBM50099344 Oc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099345 Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099346 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(F)c2)n1
BDBM50099347 Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C
BDBM50099348 Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c(C)c1
BDBM50099349 Cc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1C
BDBM50099350 NC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099353 Cc1cccc(C)c1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50099354 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(=O)NN2CCNCC2)n1
BDBM50099355 COc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099356 OC(=O)CCCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50084978 COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM50099360 OC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099361 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(=O)NN2CCCCC2)n1
BDBM50099365 CC(C)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50114237 Cn1nc(cc1NC(=O)Nc1ccc(OCc2ccncc2)cc1)C(C)(C)C
BDBM50114238 CCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50114239 CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50114240 CCC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1
BDBM50099362 Fc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50099363 CC(=O)Nc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50099364 CNC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099366 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Cl)cc2)n1
BDBM50305729 CC(C)c1nnc2CCC(Cc3ccc(F)cc3F)=Cn12 |c:19|
BDBM50305730 CC(C)c1nnc2CCC(CCc3ccc(F)cc3F)=Cn12 |c:20|
BDBM50105748 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2ccccc2)n1
BDBM50105749 CC(C)N1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
BDBM50105750 CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
BDBM50105751 O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Oc2ccccc2)n1)-c1ccc(F)cc1 |wU:1.0,wD:4.7,(11.06,4.43,;10.77,2.91,;11.93,1.91,;11.64,.4,;10.17,-.1,;9.02,.89,;9.31,2.4,;9.88,-1.62,;10.93,-2.74,;10.21,-4.09,;8.7,-3.8,;8.5,-2.27,;7.17,-1.48,;7.2,.06,;5.87,.86,;4.53,.13,;4.5,-1.42,;3.16,-2.18,;1.83,-1.38,;.5,-2.15,;-.82,-1.36,;-.81,.18,;.54,.93,;1.87,.16,;5.82,-2.22,;7.63,-4.91,;6.14,-4.53,;5.06,-5.63,;5.49,-7.1,;4.43,-8.22,;6.98,-7.48,;8.06,-6.39,)|
BDBM50105752 CNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1
BDBM50105753 CCOC(=O)N1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
BDBM50105754 CN1CCC(CC1)n1cnc(c1-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1
BDBM50105755 CC(C)Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50206420 Fc1ccc(cc1)-c1c(-c2ccncc2)c(=O)[nH]c2ccccc12
BDBM50206421 CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50206422 Fc1ccc(cc1)-c1c(-c2ccncc2)c2ccccc2[nH]c1=O
BDBM50206423 CC(C)c1noc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50178832 O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1
BDBM50258287 FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
BDBM50305703 NC(=O)c1cccc(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305704 COC(=O)c1ccc(C)c(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305705 Cc1ccc(cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(O)=O
BDBM50305706 Cc1ccc(cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(N)=O
BDBM50305707 CNC(=O)c1ccc(C)c(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305708 Cc1ccc(cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(=O)NCC(N)=O
BDBM50305709 Cc1ccc(cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(=O)NCCO
BDBM50305710 COC(=O)c1ccc(cc1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305711 OC(=O)c1ccc(cc1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305712 NC(=O)c1ccc(cc1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305713 CNC(=O)c1ccc(cc1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305714 Fc1ccc(Sc2ccc3nnc(C4CCNCC4)n3c2)c(F)c1
BDBM50305715 CC(=O)OCC(=O)N1CCC(CC1)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305716 OCC(=O)N1CCC(CC1)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305717 CC(C)c1nnc2ccc(Sc3ccc(Br)cc3C(F)(F)F)cn12
BDBM50305718 CC(C)c1nnc2ccc(Sc3ccc(F)cc3C(F)(F)F)cn12
BDBM50305719 CC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12
BDBM50214857 Cc1cccc(n1)-c1nc(CNc2cccc(c2)C#N)[nH]c1-c1ccc2nccnc2c1
BDBM50296651 CCn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
BDBM50296652 CCn1c2n(ncc2c(Oc2cc(ccc2C)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
BDBM50296653 CCn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1F
BDBM50296654 Cn1c2n(ncc2c(Nc2cc(ccc2F)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1F
BDBM50169959 N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
BDBM50265287 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3ccncc3c2)CC1
BDBM50275548 Cc1cccn2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
BDBM50275549 Cc1ccn2nc(c(-c3ccncc3)c2c1)-c1ccc(F)cc1
BDBM50262864 Cc1ccc(NC(=O)c2ccco2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50262865 Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50256868 Fc1ccc(cc1)C1=C(CCC1)c1ccncc1 |t:8|
BDBM50256869 Fc1ccc(cc1)-c1occc1-c1ccncc1
BDBM50255231 COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
BDBM50252782 C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
BDBM50132416 CN(C)Cc1cc(ccc1C)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50194679 Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50194683 CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c1ccc(C)c(c1)-c1ccc2nc(NC)ncc2c1)C(F)(F)F
BDBM50194684 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50194685 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1N1CC(C)(C)C1=O)C(F)(F)F
BDBM50194686 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1NC(=O)NCCN1CCOCC1)C(F)(F)F
BDBM50194688 Cc1ccc(cc1-c1ccc2nc(NC3CC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50165877 CCOCn1oc(=O)c(c1-c1ccnc(N[C@@H](C)c2ccccc2)n1)-c1ccc(F)cc1
BDBM50165882 CCOCn1oc(=O)c(c1-c1ccnc(Oc2ccccc2O)n1)-c1ccc(F)cc1
BDBM50253320 CC(C)C(C)Nc1cc(ccn1)-c1nc(SCCO)[nH]c1-c1ccc(F)cc1
BDBM50305720 CC(C)c1nnc2ccc(Sc3ccc(F)cc3F)c(Cl)n12
BDBM50305721 CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)cn12
BDBM50305722 CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)c(Cl)n12
BDBM50305723 CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)c(Br)n12
BDBM50305724 CC(C)c1nnc2ccc(cn12)C(=O)c1ccc(F)cc1F
BDBM50305725 CC(C)c1nnc2ccc(cn12)S(=O)c1ccc(F)cc1F
BDBM50305726 CC(C)c1nnc2ccc(cn12)S(=O)(=O)c1ccc(F)cc1F
BDBM50305727 CC(C)c1nnc2ccc(cn12)C(=O)Nc1cc(F)cc(F)c1
BDBM50218841 Fc1ccc(c(Cl)c1)-n1ncc2CN(CCc12)C(=O)c1c(F)cccc1F
BDBM50253321 COC(=O)CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)C(C)C)c1
BDBM50253322 CC(C)Nc1cc(ccn1)-c1nc(SCCO)[nH]c1-c1ccc(F)cc1
BDBM50253323 OCCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCOCC2)c1
BDBM50305728 CC(C)c1nnc2ccc(cn12)C(=O)Cc1cc(F)cc(F)c1
BDBM50258424 O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
BDBM50296639 Cn1c2n(ncc2c(Nc2ccc(F)cc2)cc1=O)-c1c(F)cccc1F |(11.11,-4.42,;11.11,-2.88,;9.78,-2.12,;8.3,-2.59,;7.39,-1.34,;8.3,-.09,;9.78,-.57,;11.11,.2,;11.11,1.74,;12.45,2.51,;13.77,1.73,;15.11,2.5,;15.11,4.04,;16.45,4.81,;13.77,4.81,;12.44,4.04,;12.44,-.58,;12.44,-2.12,;13.77,-2.89,;7.83,-4.06,;6.32,-4.37,;5.3,-3.22,;5.85,-5.83,;6.88,-6.98,;8.39,-6.65,;8.86,-5.19,;10.37,-4.86,)|
BDBM50296640 Cn1c2n(ncc2c(Nc2ccc(F)cc2F)cc1=O)-c1ccc(F)cc1F
BDBM50296641 Cc1ccncc1Nc1cc(=O)n(C)c2n(ncc12)-c1cc(F)ccc1F
BDBM50296642 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(N)=O
BDBM50296643 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1cc(F)ccc1F)C(N)=O
BDBM50296644 CONC(=O)c1ccc(C)c(Nc2cc(=O)n(C)c3n(ncc23)-c2ccc(F)cc2F)c1
BDBM50296645 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1
BDBM50296646 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC(C)(C)C
BDBM50296647 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(O)=O
BDBM50296648 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1cccc(F)c1)C(=O)NC1CC1
BDBM50296649 Cc1ccc(cc1Oc1cc(=O)n(C)c2n(ncc12)-c1cccc(F)c1)C(=O)NC1CC1
BDBM50296650 CCn1c2n(ncc2c(Nc2cc(ccc2C)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
BDBM50209771 O=C1CCc2ccccc2N1
BDBM50262866 Cc1ccc(NC(=O)c2cccs2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50194681 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
BDBM50194682 CNc1ncc2cc(ccc2n1)-c1cc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)ccc1C
BDBM50255227 CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1
BDBM50255228 CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
BDBM50255230 CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
BDBM161376 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50307878 CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
BDBM50307879 Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
BDBM50307880 CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
BDBM50253101 CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)C(C)C
BDBM50253102 C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)noc12 |r|
BDBM50253103 CNc1noc2c(c(C)ccc12)-c1ccc2c(OC(C)C)nncc2c1
BDBM50253104 C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC(C)=O)noc12 |r|
BDBM50253105 CNc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
BDBM50265154 Cc1ccc(cc1-c1ccc2c(c1)nnn(CC1CC1)c2=O)C(=O)NC1CC1
BDBM50262918 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCc1cccc(NS(C)(=O)=O)c1)C(=O)NC1CC1
BDBM50262915 Cc1ccc(cc1-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N)C(=O)NC1CC1
BDBM50262916 COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)C(=O)NC2CC2)cc1
BDBM50262917 COc1cccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)C(=O)NC2CC2)c1
BDBM50265257 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2cc[nH]c(=O)c2c1
BDBM50265258 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3cc[nH]c(=O)c3c2)CC1
BDBM50262822 Cc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50277615 COc1ccc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
BDBM50263021 O=C(NCC1CC1)c1ccc(cc1)-c1cccc(c1)C(=O)NC1CC1
BDBM50263022 Clc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
BDBM50243124 CC(=O)Nc1ncc(NC(=O)c2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)cn1
BDBM50243125 CC(=O)Nc1ccc(NC(=O)c2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)cn1
BDBM50132411 Cc1ccc(cc1C(O)=O)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50132412 CN(C)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50132413 COc1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc2c1OCCN1CCOCC1
BDBM50248887 Fc1ccc(Nc2ccc3c(c2)ccc2ccccc2c3=O)c(F)c1
BDBM50175232 CN1CCN(CC1)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50251882 C[C@H](Nc1nccc(n1)-c1ncn(Cc2cccc(c2)C(N)=O)c1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50251883 NC(=O)c1cccc(Cn2cnc(c2-c2ccc(F)cc2)-c2ccnc(NC3CC3)n2)c1
BDBM50251911 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2cccs2)c1
BDBM50251912 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCc2cccs2)c1
BDBM50251913 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2cc3ccccc3s2)c1
BDBM50251914 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NCc2ccccc2)c1
BDBM50251915 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC(C)c2ccccc2)c1
BDBM50251916 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCc3ccccc23)c1
BDBM50251918 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(N[C@H](C)C2CCCCC2)c1 |r|
BDBM50251919 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC(C)C(C)C)c1
BDBM50251920 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NCCCO)c1
BDBM50251921 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:26.28,wD:23.24,(26.57,-40.06,;25.8,-38.72,;24.26,-38.72,;23.35,-39.96,;21.89,-39.48,;21.89,-37.94,;23.36,-37.47,;20.57,-37.16,;19.23,-37.92,;17.91,-37.15,;17.91,-35.6,;19.25,-34.84,;20.58,-35.62,;19.26,-33.3,;19.25,-31.76,;20.8,-33.3,;17.72,-33.31,;20.56,-40.24,;19.22,-39.47,;17.89,-40.24,;17.89,-41.78,;19.23,-42.55,;19.24,-44.09,;20.58,-44.86,;20.57,-46.4,;21.9,-47.16,;23.24,-46.39,;24.57,-47.16,;23.24,-44.85,;21.9,-44.08,;20.56,-41.78,)|
BDBM50263065 COc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263066 CN(C)c1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
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|
BDBM50173611 Cc1cccc(c1)-c1nc(sc1-c1ccnc(NCc2ccccc2)c1)-c1ccc(cc1)S(C)(=O)=O
BDBM50184872 O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
BDBM50306491 CC(N1C[C@@H](C)N(C[C@@H]1C)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C)c1ccc(F)cc1 |r|
BDBM50306492 C[C@H]1CN([C@H](C)CN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r|
BDBM50306493 C[C@H]1CN([C@H](C)CN1C(c1ccccc1)c1ccccc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r|
BDBM50306494 C[C@H]1CN([C@H](C)CN1C1CCc2ccccc12)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r|
BDBM50306495 C[C@H]1CN([C@H](C)CN1C(C#N)c1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r|
BDBM50306496 C[C@@H]1CN([C@@H](C)CN1C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C)C(C)(C#N)c1ccc(F)cc1 |r|
BDBM50306497 C[C@@H]1CN([C@@H](C)CN1C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C)c1n[nH]c2c(Cl)cccc12 |r|
BDBM50135308 CCc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc12
BDBM50135313 COC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135314 Fc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135311 CC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135312 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(Cl)c1
BDBM50135320 Clc1cccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c1
BDBM50135321 Fc1ccc(CNc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50135322 Clc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccccc3Br)ccc12
BDBM50135323 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(F)cccc2Cl)cc1
BDBM50135324 Clc1cccc(Cl)c1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135325 COc1cccc(C)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc12
BDBM50135326 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cc(cc2Cl)C(F)(F)F)cc1
BDBM50132377 O=C(N1CCN(Cc2ccccc2)CC1)c1cccc2[nH]ccc12
BDBM50132378 COc1cc2[nH]ccc2cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C |r|
BDBM50132379 O=C(N1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1
BDBM50132380 O=C(N1CCN(Cc2ccccc2)CC1)c1cccc2cc[nH]c12
BDBM50132381 C[C@H]1CN([C@H](C)CN1Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1
BDBM50132382 O=C(N1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc12
BDBM50173637 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(Cl)c1
BDBM50173638 CCCC(=O)Nc1cc(ccn1)-c1sc(CC)nc1-c1cccc(C)c1
BDBM50173639 CCc1nc(c(s1)-c1ccnc(c1)N(C)C(=O)c1ccccc1)-c1cccc(C)c1
BDBM50153840 Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccncc2)cc1
BDBM50153841 COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(c3)N(C)C)ccc2C)c(OC)c1
BDBM50153842 COc1ccc(cc1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1F
BDBM50215481 COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
BDBM50215483 COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|
BDBM50263023 COc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
BDBM50263024 Fc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
BDBM50263025 O=C(Nc1cccc(c1)-c1ccc(cc1)C(=O)NCC1CC1)c1ccoc1
BDBM50135315 COc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135316 OC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135317 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2ccccc2)cc1
BDBM50135318 Cc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135319 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2C(F)(F)F)cc1
BDBM50274368 Cc1oc(cc1C(=O)C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
BDBM50236471 CCNC(=O)c1ccc(C)c(c1)N1CC2N=C(NC3CCCC3)SC2C1=O |t:16|
BDBM50236472 CCCNc1nc(C)c(s1)C(=O)Nc1cc(ccc1C)C(=O)NCC
BDBM50236473 CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
BDBM50236474 CCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1
BDBM50236475 CNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1
BDBM50119534 CS(=O)c1ccc(CCCSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1
BDBM50119536 CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccccc2)-c2ccncc2)cc1
BDBM50293523 Cc1cccc(n1)-c1nc(Nc2ccc3nn[nH]c3c2)c2ccccc2n1
BDBM50252650 COc1nccc(n1)-c1ncn(Cc2ccc(cc2)C#N)c1-c1ccc(F)cc1
BDBM50252651 NC(=O)c1cccc(Cn2cnc(c2-c2ccc(F)cc2)-c2ccnc(N)n2)c1
BDBM50252663 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCc3ccccc23)c1
BDBM50252664 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCC(C)c2ccccc2)c1
BDBM50252665 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CCc2ccccc2)c1
BDBM50251934 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(OC(C)c2ccccc2)c1
BDBM50251935 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(Oc2ccc(C)cc2)c1
BDBM50251936 CCSc1cc(ccn1)-c1nc(SC)[nH]c1-c1ccc(F)cc1
BDBM50251937 CSc1nc(c(-c2ccnc(N[C@H](C)c3ccccc3)c2)n1C)-c1ccc(F)cc1 |r|
BDBM50251938 CSc1nc(c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)n1C)-c1ccc(F)cc1 |r|
BDBM50251939 COCCn1c(SC)nc(c1-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
BDBM50251940 COCCn1c(SC)nc(c1-c1ccnc(NC[C@H]2CCCC[C@@H]2O)c1)-c1ccc(F)cc1 |r|
BDBM50251941 COCCn1c(SC)nc(c1-c1ccnc(NC2CCOCC2)c1)-c1ccc(F)cc1
BDBM50251952 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2cccc3ccccc23)c1
BDBM50251971 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCC2CCCCC2)c1
BDBM50251972 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H](C)C2CCCCC2)c1 |r|
BDBM50251973 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@@H](C)C2CCCCC2)c1 |r|
BDBM50309530 COc1cc2occ(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50309531 COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50252134 COc1nccc(n1)-c1c(ncn1Cc1cccc(c1)C(N)=O)-c1ccc(F)cc1
BDBM50252135 C[C@H](Nc1nccc(n1)-c1c(ncn1Cc1ccc(cc1)C(N)=O)-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50309524 CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50309525 COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50309526 COc1ccc(cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1)C(=O)C(=O)N(C)C
BDBM50309527 CN(C)C(=O)C(=O)c1ccc2OC(C(=Cc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1)C(F)(F)F |c:13|
BDBM50309528 CN(C)C(=O)C(=O)c1nn(C)c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
BDBM50309529 CN(C)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1
BDBM50265111 CCCCn1c(=O)[nH]c2cc(ccc2c1=O)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50265112 CCCCn1c(=O)[nH]c2cc(ccc2c1=O)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
BDBM50265109 Cc1ccc(cc1-c1ccc2c(c1)nc([nH]c2=O)-c1cccs1)C(=O)NC1CC1
BDBM50265110 CCCCn1c(=O)[nH]c2cc(ccc2c1=O)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50253374 OCCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:25.27,wD:22.23,(34.18,-1.71,;33.44,-.36,;31.9,-.34,;31.15,1.01,;29.61,1.04,;28.68,-.19,;27.23,.31,;27.25,1.85,;28.73,2.3,;25.91,2.62,;25.92,4.17,;24.58,4.95,;23.24,4.17,;21.9,4.94,;23.24,2.62,;24.58,1.85,;25.92,-.5,;24.56,.24,;23.25,-.56,;23.29,-2.1,;24.65,-2.84,;24.69,-4.38,;23.38,-5.18,;22.03,-4.45,;20.73,-5.25,;20.76,-6.79,;19.45,-7.6,;22.12,-7.53,;23.44,-6.72,;25.96,-2.03,)|
BDBM50235911 CC(C)Nc1nc2ccc(cc2s1)-c1nc[nH]c1-c1ccccc1
BDBM50235912 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1ccc(F)cc1
BDBM50235913 CCNc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
BDBM50235914 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1ccccc1
BDBM50235915 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1cccc(F)c1
BDBM50235916 CC(C)Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1
BDBM50049395 COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
BDBM50236479 CCNC(=O)c1ccc(C)c(c1)N1Cc2nc(NC(C)C)sc2C1=O
BDBM50236480 CCCNc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
BDBM50236481 Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CC2)s1
BDBM50236482 CC(C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl
BDBM50236483 CC[C@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
BDBM50236484 Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CCC2)s1
BDBM50236485 CC(C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccnn1C
BDBM50236486 CCCNc1ncc(s1)C(=O)Nc1c(C)cccc1Cl
BDBM50236487 CC(C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccon1
BDBM50257103 COc1ccc2sc(Sc3ncc(s3)[N+]([O-])=O)nc2c1
BDBM50310343 Nc1nn(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(c1)-c1ccc2cc[nH]c2c1
BDBM50173619 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1ccc(F)cc1
BDBM50173620 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1ccc(C)cc1
BDBM50173621 CCc1nc(c(s1)-c1ccnc(NCc2ccccc2)c1)-c1cccc(C)c1
BDBM50173622 CCC(=O)Nc1cc(ccn1)-c1sc(CC)nc1-c1cccc(C)c1
BDBM50173623 Cc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
BDBM50173624 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1ccccc1C
BDBM50173625 CCc1nc(c(s1)-c1ccnc(Cl)c1)-c1cccc(C)c1
BDBM50136008 CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
BDBM50173612 CCc1nc(c(s1)-c1ccnc(N)c1)-c1cccc(C)c1
BDBM50173613 Cc1cccc(c1)-c1nc(sc1-c1ccnc(NC(=O)c2ccccc2)c1)-c1ccc(cc1)S(C)(=O)=O
BDBM50173614 CCc1nc(c(s1)-c1ccnc(NCCc2ccccc2)c1)-c1cccc(C)c1
BDBM50173615 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(c1)C(F)(F)F
BDBM50173616 Cc1cccc(c1)-c1nc(sc1-c1ccnc(C)c1)-c1ccc(cc1)S(C)(=O)=O
BDBM50173617 CCc1nc(c(s1)-c1ccnc(NCCCc2ccccc2)c1)-c1cccc(C)c1
BDBM50173618 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1ccccc1
BDBM50265195 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2[nH]c(=O)ccc2c1
BDBM50265196 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3[nH]c(=O)ccc3c2)CC1
BDBM50262614 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCCC1
BDBM50262615 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCCCC1
BDBM50262616 CC(C)NC(=O)c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50265369 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(N)noc2c1
BDBM50265370 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3c(N)noc3c2)CC1
BDBM50263127 Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263128 CN(C)c1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263129 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50265288 Cc1ccc(cc1-c1ccc2cccnc2c1)C(=O)NC1CC1
BDBM50277663 COc1ccc(cc1NC(=O)c1cc2ccccc2s1)C(C)(C)C
BDBM50263093 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
BDBM50265323 Cc1noc2ccc(cc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50265324 Cc1noc2ccc(cc12)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
BDBM50265325 Cc1ccc(cc1-c1ccc2[nH]ncc2c1)C(=O)NC1CC1
BDBM50263132 Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
BDBM50265326 Cc1ccc(cc1-c1ccc2[nH]ncc2c1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50265327 Cc1ccc(cc1-c1ccc2c(N)noc2c1)C(=O)NC1CC1
BDBM50263167 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263168 Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263169 CC1CCN(CC1)c1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263170 Cc1ccc(NC(=O)c2ccnc(NC3CC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50260057 COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O |r|
BDBM50275581 Fc1ccc(cc1)-c1nn2c(Cl)cccc2c1-c1ccncc1
BDBM50275582 Fc1ccc(cc1)-c1nn2c(OC3CCCC3)cccc2c1-c1ccncc1
BDBM50275583 CCOc1cccc2c(c(nn12)-c1ccc(F)cc1)-c1ccncc1
BDBM50136885 Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl
BDBM50136886 Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
BDBM50218689 COc1c(NC(=O)Nc2cccc3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50218695 COc1c(NC(=O)c2cc3ccccc3o2)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50218832 Fc1ccc(C(=O)N2CCn3c(C2)cnc3-c2ccc(F)cc2F)c(F)c1
BDBM50156815 COCCCn1c(SCc2ccc(cc2)S(C)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156816 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCOCC=C)-c1ccc(F)cc1
BDBM50136887 COc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
BDBM50136888 CCOC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
BDBM50075748 Clc1ccc(cc1)-c1cc(C2CCCCC2)c([nH]1)-c1ccncc1
BDBM50075749 Clc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccccc1OCC=C
BDBM50075750 CCOC(=O)c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075751 Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)-c1ccc(cc1)C#N
BDBM50075752 CC(C)COc1ccccc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075753 Fc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075754 CCOc1ccccc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075755 CC(C)Oc1ccccc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50173172 COc1ccc(COC[C@H]2CCc3nc(c(-c4ccnc(N)n4)n23)-c2ccc(F)cc2)cc1
BDBM50173173 CCCNc1nccc(n1)-c1c(nc2CC[C@@H](COCc3ccc(OC)cc3)n12)-c1ccc(F)cc1
BDBM50114690 CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1
BDBM50075756 CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075757 Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1Cl
BDBM50252780 O=C(NC1CC1)c1cccc(c1)-c1ccc2c(nncc2c1)N1CCOCC1
BDBM50194697 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCN(C)C1=O)C(F)(F)F
BDBM50194698 Cc1ccc(cc1-c1ccc2nc(NCCN3CCCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
BDBM50148654 CCSc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-1.24,-3.83,;-1.7,-2.36,;-.65,-1.22,;.85,-1.55,;1.89,-.43,;3.39,-.75,;3.85,-2.24,;5.35,-2.57,;5.82,-4.04,;4.77,-5.19,;3.27,-4.84,;2.81,-3.37,;1.31,-3.03,;6.4,-1.45,;5.95,.04,;4.71,.96,;5.21,2.43,;6.74,2.4,;7.19,.93,;8.43,,;7.94,-1.45,;8.89,-2.67,;8.31,-4.09,;9.25,-5.3,;10.79,-5.09,;11.37,-3.67,;10.41,-2.46,)|
BDBM50148655 Clc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-1.09,-1.49,;.42,-1.79,;1.43,-.64,;2.94,-.93,;3.43,-2.4,;4.94,-2.69,;5.45,-4.15,;4.43,-5.31,;2.92,-5.01,;2.43,-3.55,;.92,-3.24,;5.96,-1.52,;5.46,-.05,;4.2,.83,;4.67,2.3,;6.2,2.3,;6.69,.85,;7.95,-.03,;7.5,-1.51,;8.48,-2.69,;7.93,-4.13,;8.9,-5.32,;10.43,-5.06,;10.98,-3.62,;10,-2.45,)|
BDBM50174086 CC(C)(CO)c1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1O
BDBM50174087 O=S(=O)(Nc1cccc(Oc2ccccc2)c1)N1CCC(CC1)NCc1cccc2ccccc12
BDBM50174088 Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccc(F)cc2)c1
BDBM50174089 Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccccc2)c1
BDBM50174090 FC(F)(F)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1
BDBM50174091 O=S(=O)(Nc1cccc(Oc2ccccc2)c1)N1CCC(CC1)NCc1ccccc1
BDBM50174092 CC(C)(CO)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1O
BDBM50174093 Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2cccc(c2)C(F)(F)F)c1
BDBM50240029 O=c1cc(OCc2ccccc2)ccn1Cc1ccccc1
BDBM50175759 CC(C)(C)N1CCC(CC1)c1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(34.74,5.09,;33.42,4.32,;34.19,2.98,;32.64,5.65,;32.08,3.55,;32.08,2.01,;30.75,1.24,;29.41,2,;29.41,3.54,;30.75,4.31,;28.08,1.23,;26.74,1.99,;25.41,1.22,;24.08,1.99,;24.08,3.52,;22.75,4.29,;21.42,3.52,;22.75,5.82,;24.09,6.6,;25.42,5.83,;25.42,4.29,;26.75,3.52,;22.74,1.22,;21.41,1.99,;22.74,-.32,;24.08,-1.1,;25.41,-.32,;26.75,-1.09,;28.08,-.32,;26.75,-2.63,;25.41,-3.4,;25.41,-4.94,;26.75,-5.71,;28.09,-4.93,;28.08,-3.39,;29.41,-2.62,)|
BDBM50175760 CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(F)cccc3F)c2c1 |(36.23,-35.35,;34.9,-36.13,;35.68,-37.46,;34.13,-34.8,;33.57,-36.9,;33.57,-38.44,;32.24,-39.21,;30.9,-38.44,;30.9,-36.9,;32.23,-36.13,;29.57,-39.22,;29.57,-40.77,;28.24,-41.54,;28.24,-43.08,;26.9,-43.84,;26.9,-45.38,;28.24,-46.15,;28.24,-47.69,;29.57,-45.38,;29.57,-43.84,;30.9,-43.07,;26.9,-40.77,;25.57,-41.55,;24.23,-40.77,;24.23,-39.23,;22.9,-38.46,;25.57,-38.46,;25.57,-36.92,;24.24,-36.16,;22.91,-36.93,;24.24,-34.62,;25.58,-33.85,;26.91,-34.62,;26.91,-36.16,;28.24,-36.93,;26.9,-39.23,;28.23,-38.46,)|
BDBM50153879 Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1ccnc(NCCCN2CCCC2)n1
BDBM50153880 COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N(C)C)ccc3C)c2cc1OC
BDBM50153881 CN(C)CC(C)(C)COc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
BDBM50153882 CN(CC=C)c1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
BDBM50153883 CN1CCCN(CC1)c1cc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)ncn1
BDBM50153884 COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN(C(C)C)C(C)C
BDBM50153868 COc1cc2ncnc(Nc3ccc(Cl)c(NC(=O)c4cccc(c4)N(C)C)c3)c2cc1OC
BDBM50153869 COc1cc2ncnc(Nc3cccc(NC(=O)c4cccc(c4)N(C)C)c3)c2cc1OC
BDBM50174100 Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccc(F)cc2F)c1
BDBM50091915 Clc1cccc(NC(=O)Nc2cc(no2)C2CCC2)c1Cl
BDBM50091916 CCC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
BDBM50091917 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)no1
BDBM50091920 CC(C)(C)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)s1
BDBM50091921 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)on1
BDBM50091922 CC(C)c1noc(NC(=O)Nc2cccc(Cl)c2Cl)c1C
BDBM50091923 Cn1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50091924 CC(C)(C)c1cc(NC(=O)Nc2cc(Br)cc(Br)c2)no1
BDBM50091925 CC(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
BDBM50091926 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)on1
BDBM50091927 Cc1cc(F)ccc1-c1cc(ccc1CO)N(C(N)=O)c1c(Cl)cccc1Cl
BDBM50091928 CCCCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
BDBM50252739 Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)NC1CC1
BDBM50252740 Cc1ccc(cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1)C(=O)NC1CC1
BDBM50174094 Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccccc2Cl)c1
BDBM50174095 FC(F)(F)Oc1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1
BDBM50174096 Cc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1
BDBM50174097 O=C(NCc1ccccn1)c1ccc(Oc2ccccc2)cc1
BDBM50174098 O=C(NCc1ccc2CCCc2c1)c1ccc(Oc2ccccc2)cc1
BDBM50174099 Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Cc1cccc(Oc2ccccc2)c1
BDBM50153850 Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1ccnc(NCCCN2CCOCC2)n1
BDBM50153852 CN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
BDBM50153853 COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCCC1
BDBM50153854 COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)ccc3C)c2cc1OC
BDBM50153855 COc1cc2ncnc(Nc3ccc(C)c(NC(=O)c4ccccc4)c3)c2cc1OC
BDBM50153856 Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1ccncn1
BDBM50153857 CN(C)CCCOc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
BDBM50153858 Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1ccnc(Cl)n1
BDBM50153859 COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCC1
BDBM50245420 COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
BDBM50275547 Fc1ccc(cc1)-c1nn2cc(F)ccc2c1-c1ccncc1
BDBM50275552 Fc1ccc(cc1)-c1nn2cc(ccc2c1-c1ccncc1)C(F)(F)F
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50075759 CN1CCC(CC1)c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50075760 COc1cccc(c1)-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075758 COc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50075764 Clc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075765 Clc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccccc1Br
BDBM50075766 CCCOc1ccccc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50075767 Clc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1cccc(Br)c1
BDBM50075768 CCc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50172920 Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1
BDBM50172921 Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1
BDBM50252735 Cc1ccccc1-c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
BDBM50252736 C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12 |r|
BDBM50252738 C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)nsc12 |r|
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|
BDBM50132986 FC(F)(F)c1cccc(c1)-c1n[nH]cc1-c1ccnc2ccccc12
BDBM50213737 Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
BDBM50099328 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)-c2ccccc2)n1
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50091929 NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
BDBM50153860 CN(C1CCN(C)CC1)c1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
BDBM50153861 CSc1nccc(Nc2cc(NC(=O)c3cc(F)cc(c3)N3CCOCC3)ccc2C)n1
BDBM50153862 COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)c(Cl)cc3F)c2cc1OC
BDBM50153863 COc1cc2ncnc(Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)c2cc1OC
BDBM50153871 CN1CCCC(COc2nccc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)n2)C1
BDBM50153872 COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)ccc3Cl)c2cc1OC
BDBM50153873 Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1cc(NCCCN2CCCC2)ncn1
BDBM50153874 COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N(C)C)ccc3Cl)c2cc1OC
BDBM50153875 CCCN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3cccc(c3)N3CCOCC3)ccc2C)n1
BDBM50153876 COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN(C)C
BDBM50153877 CCN(CC)CCCNc1cc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)ncn1
BDBM50153878 COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)c(F)cc3F)c2cc1OC
BDBM50174085 FC(F)(F)c1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1
BDBM50119505 CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccc(Cl)cc2)-c2ccncc2)cc1
BDBM50119518 Oc1ccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1
BDBM50119521 CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccc(Br)cc2)-c2ccncc2)cc1
BDBM50178846 CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
BDBM50053410 Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
BDBM50265371 Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)NC1CC1
BDBM50178836 O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOCC1
BDBM50178842 CC(=O)N1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
BDBM50178843 CC(=O)N1CCC[C@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
BDBM50095390 COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50095391 CNC(=O)c1sc(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
BDBM50095392 COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1)C(C)(C)C
BDBM50095393 CC(C)OC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50095394 COC(=O)c1oc(cc1NC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C
BDBM50095395 COC(=O)c1sc(cc1NC(=O)Nc1ccc(N)cc1)C(C)(C)C
BDBM50095396 COC(=O)c1oc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50095397 CNC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50095398 COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
BDBM50095399 COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50095400 COC(=O)c1c(NC(=O)Nc2cccc3ccccc23)cc(n1C)C(C)(C)C
BDBM50095401 Cc1ccc(NC(=O)Nc2cc(sc2C(=O)OCCCO)C(C)(C)C)cc1
BDBM50095402 CNC(=O)c1oc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50178838 CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
BDBM50178839 CO[C@H]1CC[C@H](CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 |wU:5.8,2.1,(17.63,-11.64,;17.64,-10.1,;16.3,-9.32,;14.97,-10.09,;13.64,-9.32,;13.64,-7.78,;14.97,-7,;16.31,-7.78,;12.31,-7.01,;12.31,-5.47,;10.98,-7.78,;9.64,-7.01,;9.64,-5.47,;8.31,-4.7,;6.98,-5.46,;6.97,-7.01,;8.31,-7.78,;8.32,-3.16,;9.65,-2.4,;9.66,-.87,;8.33,-.08,;6.99,-.85,;5.66,-.08,;4.32,-.84,;4.33,-2.38,;2.99,-3.15,;1.66,-2.38,;.32,-3.14,;1.67,-.83,;3,-.07,;6.99,-2.39,)|
BDBM50252559 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2ccccc12
BDBM50252560 CCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(F)c1
BDBM50252561 CCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(Cl)c1
BDBM50252616 CCC(Nc1cc(ccn1)-c1nc(SC)[nH]c1-c1ccc(F)cc1)c1ccccc1
BDBM50243180 Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCCC1
BDBM50243181 Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCCC1CCCCC1
BDBM50211303 COc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1
BDBM50211306 CN(C)CCNC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50132374 O=C(N1CCN(Cc2ccccc2)CC1)c1ccc2cc[nH]c2c1
BDBM50132375 COc1cc2[nH]ccc2cc1C(=O)N1CCN(Cc2ccccc2)CC1
BDBM50132376 COc1cc2[nH]ccc2cc1C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C
BDBM50119522 Fc1ccc(cc1)-c1[nH]c(SCc2ccccc2)nc1-c1ccncc1
BDBM50119524 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50105756 CC(C)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
BDBM50259376 C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50256470 Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)n1
BDBM50256471 COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCCCC1
BDBM50095403 CNC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50095404 CCCOC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50095405 COC(=O)c1sc(N)cc1NC(=O)Nc1ccc(C)cc1
BDBM50095406 COC(=O)c1sc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50095407 COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
BDBM50095408 CNC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
BDBM50119507 CS(=O)c1cc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)ccc1O
BDBM50119511 CSc1cc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)ccc1O
BDBM50119512 CS(=O)c1ccc(CCSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1
BDBM50119514 CSc1cccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1
BDBM50265032 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2)-c2noc(C)n2)CC1
BDBM50257184 [O-][N+](=O)c1cnc(Sc2nc3ccccc3s2)s1
BDBM50256478 COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
BDBM50256479 CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
BDBM50256480 CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
BDBM50255179 CC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
BDBM50105744 CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1
BDBM50105745 CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccncc2)n1)-c1ccc(F)cc1
BDBM50105746 CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1
BDBM50105747 Nc1nccc(n1)-c1c(ncn1C1CCOCC1)-c1ccc(F)cc1
BDBM50262780 CCC(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50262781 Cc1ccc(NC(=O)C2CC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50262782 CCCC(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50241113 Nc1ccccc1Nc1ccc2c(c1)ccc1ccccc1c2=O
BDBM50241112 Nc1ccccc1Nc1ccc2c(CCc3ccccc3C2=O)c1
BDBM50252617 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCc3ccccc23)c1
BDBM50252542 Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
BDBM50104376 Fc1ccc(cc1)-c1[nH]c(CCc2ccccc2)nc1-c1ccncc1
BDBM50296636 Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
BDBM50296655 Cc1ccc(cc1Oc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1
BDBM50296656 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1cc(F)ccc1F)C(=O)NC1CC1
BDBM50296657 Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1cc(F)ccc1F
BDBM50296658 Cc1ccc(cc1Oc1cc(=O)n(C)c2n(ncc12)-c1cc(F)ccc1F)C(=O)NC1CC1
BDBM50296659 Cn1c2n(ncc2c(Oc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1cc(F)ccc1F
BDBM50296660 Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1c(F)cccc1F)C(=O)NC1CC1 |(-4.95,-28.74,;-3.61,-29.5,;-2.28,-28.73,;-.94,-29.51,;-.95,-31.05,;-2.28,-31.81,;-3.61,-31.04,;-4.94,-31.8,;-4.95,-33.34,;-3.62,-34.12,;-3.62,-35.66,;-2.29,-36.43,;-4.95,-36.42,;-4.95,-37.96,;-6.28,-35.66,;-7.75,-36.14,;-8.66,-34.89,;-7.75,-33.63,;-6.28,-34.11,;-8.23,-37.6,;-9.73,-37.91,;-10.76,-36.77,;-10.21,-39.38,;-9.17,-40.52,;-7.66,-40.2,;-7.19,-38.73,;-5.69,-38.41,;.39,-31.82,;.38,-33.36,;1.72,-31.06,;3.05,-31.83,;3.81,-33.16,;4.59,-31.83,)|
BDBM50296661 Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1c(F)cccc1F |(9.5,-38.9,;9.5,-37.36,;8.17,-36.6,;6.69,-37.08,;5.78,-35.82,;6.69,-34.57,;8.17,-35.05,;9.5,-34.28,;9.5,-32.74,;10.84,-31.97,;12.16,-32.75,;13.5,-31.98,;13.5,-30.44,;12.16,-29.67,;10.83,-30.44,;9.5,-29.67,;14.83,-32.76,;14.83,-34.3,;16.17,-31.99,;17.5,-32.77,;18.26,-34.1,;19.03,-32.77,;10.83,-35.06,;10.83,-36.6,;12.16,-37.37,;6.22,-38.54,;4.71,-38.85,;3.69,-37.7,;4.24,-40.31,;5.27,-41.46,;6.78,-41.13,;7.25,-39.67,;8.76,-39.34,)|
BDBM50296662 Cn1c2n(ncc2c(Nc2cc(ccc2F)C(=O)NC2CC2)cc1=O)-c1c(F)cccc1F |(25.93,-39.37,;25.93,-37.83,;24.6,-37.06,;23.13,-37.54,;22.22,-36.29,;23.13,-35.04,;24.6,-35.52,;25.93,-34.75,;25.94,-33.21,;27.27,-32.44,;28.6,-33.22,;29.93,-32.45,;29.94,-30.91,;28.6,-30.14,;27.27,-30.91,;25.93,-30.14,;31.27,-33.23,;31.26,-34.77,;32.6,-32.46,;33.93,-33.23,;34.69,-34.57,;35.47,-33.24,;27.26,-35.52,;27.26,-37.06,;28.59,-37.84,;22.65,-39.01,;21.15,-39.32,;20.12,-38.17,;20.67,-40.78,;21.71,-41.93,;23.22,-41.6,;23.69,-40.14,;25.19,-39.81,)|
BDBM50296663 Cc1ccc(cc1Oc1cc(=O)n(C)c2n(ncc12)-c1c(F)cccc1F)C(=O)NC1CC1 |(-3.38,3.72,;-2.05,2.95,;-.72,3.72,;.62,2.95,;.62,1.41,;-.72,.64,;-2.05,1.42,;-3.38,.65,;-3.38,-.89,;-2.06,-1.66,;-2.06,-3.2,;-.72,-3.98,;-3.38,-3.97,;-3.38,-5.51,;-4.71,-3.2,;-6.19,-3.68,;-7.1,-2.43,;-6.19,-1.18,;-4.71,-1.66,;-6.66,-5.15,;-8.17,-5.46,;-9.19,-4.31,;-8.64,-6.92,;-7.61,-8.07,;-6.1,-7.74,;-5.63,-6.28,;-4.12,-5.95,;1.95,.63,;1.94,-.91,;3.28,1.4,;4.62,.63,;5.38,-.71,;6.15,.62,)|
BDBM50296637 Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1F
BDBM50296638 Cn1c2n(ncc2c(NC2CCOCC2)cc1=O)-c1cccc(F)c1
BDBM50235908 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1ccccc1F
BDBM50235909 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1ccc(C)cc1
BDBM50235910 CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1c(N)n(CC)nc1-c1ccccc1F
BDBM50315108 CS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315109 OC(=O)CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315110 CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315111 OCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315112 COCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315113 CN(C)CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315114 CN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315115 OCCN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315069 CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
BDBM50315102 CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50315103 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(C)c1
BDBM50315104 OCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315105 COCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315106 COCCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315107 NS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315116 CC(C)(CO)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315117 CC(C)(O)CN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315118 Clc1ccc(cc1)-c1n[nH]c(C2CCN(CC2)C2CCOC2)c1-c1ccncn1
BDBM50315119 Clc1ccc(cc1)-c1n[nH]c(C2CCN(CC2)C2CCOCC2)c1-c1ccncn1
BDBM50315120 O[C@H]1CCC[C@@H]1N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1 |r|
BDBM50253830 COC(=O)CCCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50251943 COCCn1c(SC)nc(c1-c1ccnc(NCC(C)O)c1)-c1ccc(F)cc1
BDBM50251988 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(OC(C)CCCC(C)C)c1
BDBM50251989 COCCn1c(SC)nc(c1-c1ccnc(N[C@H](C)c2ccccc2)c1)-c1ccc(F)cc1 |r|
BDBM50248939 Nc1ccccc1Nc1ccc2c(OCc3ncccc3C2=O)c1
BDBM50248940 Nc1cc(F)ccc1Nc1ccc2c(OCc3ncccc3C2=O)c1
BDBM50248941 Fc1ccc(Nc2ccc3c(OCc4ncccc4C3=O)c2)c(F)c1
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50263309 CCCNC(=O)c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263310 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NCC1CC1
BDBM50263311 CC(C)CNC(=O)c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50315121 Clc1ccc(cc1)-c1n[nH]c(C2CCN(Cc3ccncc3)CC2)c1-c1ccncn1
BDBM50318042 Fc1cc(F)c(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1 |(6.2,-32.89,;7.54,-33.66,;7.54,-35.2,;8.88,-35.97,;8.88,-37.51,;10.2,-35.2,;11.53,-35.97,;12.87,-35.19,;14.2,-35.96,;15.53,-35.19,;16.86,-35.96,;16.87,-37.51,;18.2,-38.27,;19.52,-37.5,;19.52,-35.96,;20.86,-38.26,;20.86,-39.81,;19.53,-40.58,;18.2,-39.82,;16.86,-40.59,;15.53,-38.28,;15.53,-39.82,;14.2,-37.51,;12.86,-38.28,;10.2,-33.65,;11.54,-32.89,;8.87,-32.88,)|
BDBM50318043 Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)cc1F |(22.41,-32.44,;23.74,-33.21,;25.08,-32.44,;26.41,-33.21,;26.41,-34.75,;27.74,-35.52,;29.07,-34.75,;30.41,-35.52,;31.73,-34.75,;33.07,-35.51,;33.08,-37.06,;34.4,-37.83,;35.73,-37.06,;35.72,-35.52,;37.06,-37.82,;37.07,-39.37,;35.74,-40.14,;34.4,-39.37,;33.07,-40.14,;31.74,-37.83,;31.74,-39.37,;30.4,-37.06,;29.07,-37.83,;25.08,-35.52,;23.75,-34.76,;22.42,-35.53,)|
BDBM50318044 Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1F |(-10.45,-42.22,;-9.12,-42.99,;-7.78,-42.22,;-6.45,-42.99,;-6.45,-44.53,;-5.12,-45.3,;-3.79,-44.53,;-2.45,-45.3,;-1.12,-44.53,;.21,-45.29,;.22,-46.84,;1.55,-47.61,;2.87,-46.84,;2.86,-45.3,;4.21,-47.6,;4.21,-49.15,;2.88,-49.92,;1.55,-49.15,;.21,-49.92,;-1.12,-47.61,;-1.12,-49.15,;-2.45,-46.84,;-3.79,-47.61,;-7.78,-45.3,;-7.77,-46.84,;-9.11,-44.54,;-10.44,-45.31,)|
BDBM50318045 Fc1cc(Cl)ccc1COc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br |(10.55,-47.08,;10.55,-45.54,;9.21,-44.78,;9.21,-43.23,;7.87,-42.46,;10.54,-42.46,;11.88,-43.23,;11.87,-44.77,;13.2,-45.54,;14.54,-44.77,;15.87,-45.54,;17.2,-44.77,;18.54,-45.53,;18.54,-47.08,;19.87,-47.85,;21.2,-47.08,;21.19,-45.54,;22.53,-47.84,;22.54,-49.39,;21.2,-50.16,;19.87,-49.39,;18.54,-50.16,;17.2,-47.85,;17.2,-49.39,;15.87,-47.08,;14.54,-47.85,)|
BDBM50318046 Fc1ccc(COc2cnn(-c3c(Cl)cncc3Cl)c(=O)c2Br)c(F)c1 |(22.4,-41.65,;23.74,-42.42,;25.07,-41.65,;26.41,-42.42,;26.4,-43.96,;27.73,-44.73,;29.07,-43.96,;30.4,-44.73,;31.73,-43.96,;33.06,-44.72,;33.07,-46.27,;34.4,-47.04,;35.72,-46.27,;35.72,-44.73,;37.06,-47.03,;37.07,-48.58,;35.73,-49.35,;34.4,-48.58,;33.07,-49.35,;31.73,-47.05,;31.73,-48.59,;30.4,-46.27,;29.06,-47.04,;25.08,-44.73,;25.08,-46.27,;23.74,-43.97,)|
BDBM50318047 Fc1ccc(COc2cnn(-c3c(F)cccc3F)c(=O)c2Br)c(F)c1 |(-9.8,6.09,;-8.47,5.32,;-7.13,6.09,;-5.8,5.32,;-5.81,3.78,;-4.47,3.01,;-3.14,3.78,;-1.81,3.01,;-.48,3.78,;.86,3.02,;.86,1.47,;2.19,.7,;3.52,1.47,;3.51,3.01,;4.85,.71,;4.86,-.84,;3.52,-1.61,;2.19,-.84,;.86,-1.61,;-.47,.69,;-.48,-.85,;-1.81,1.47,;-3.14,.7,;-7.13,3.01,;-7.12,1.47,;-8.46,3.77,)|
BDBM50318048 COC(=O)c1ccc(C)c(c1)-n1ncc(OCc2ccc(F)cc2F)c(Br)c1=O
BDBM50275579 Fc1ccc(cc1)-c1nn2cc(ccc2c1-c1ccncc1)C#N
BDBM50275580 Fc1ccc(cc1)-c1nn2cc(Cl)ccc2c1-c1ccncc1
BDBM50259601 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
BDBM50320964 Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
BDBM50275614 Fc1ccc(cc1)-c1nn2c(OCC(F)(F)F)cccc2c1-c1ccncc1
BDBM50236476 CCCNc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NCC
BDBM50236477 CNC(=O)c1ccc(C)c(NC(=O)c2cnc(NCCOC)s2)c1
BDBM50236478 CC(C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccn[nH]1
BDBM50236488 CCCNc1ncc(s1)C(=O)Nc1cc(ccc1C)C(N)=O
BDBM50236489 CCNC(=O)c1ccc(C)c(NC(=O)c2sc(NCC)nc2C)c1
BDBM50236490 CC(C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(N)=O
BDBM50236491 CNC(=O)c1ccc(C)c(c1)N1Cc2nc(NC3CCCC3)sc2C1=O
BDBM50236492 CCCNc1nc2CN(C(=O)c2s1)c1cc(ccc1C)C(=O)NC
BDBM50236493 CCNc1ncc(s1)C(=O)Nc1c(C)cccc1Cl
BDBM50253864 Cn1c(SCC(O)CO)nc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50253865 CC(Nc1cc(ccn1)-c1nc(SCC(O)CO)[nH]c1-c1ccc(F)cc1)c1ccccc1
BDBM50253866 OCC(O)CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
BDBM50253867 CC(C)CNc1cc(ccn1)-c1nc(SCC(O)CO)[nH]c1-c1ccc(F)cc1
BDBM50253868 CCNc1cc(ccn1)-c1nc(SCC(O)CO)[nH]c1-c1ccc(F)cc1
BDBM50265034 Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50265035 Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
BDBM50311985 CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
BDBM50310968 CN(C)C(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1
BDBM50310969 CN(C)C(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)cc1
BDBM50310970 CN=CC(=O)c1cccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1 |w:1.0|
BDBM50310971 CN=CC(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1 |w:1.0|
BDBM50310972 Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1ccccn1
BDBM50310973 Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1cccnc1
BDBM50310974 Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1ccncc1
BDBM50310975 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccnc1
BDBM50310976 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccncc1
BDBM50310977 Cc1cnc(cn1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
BDBM50310978 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cnc(CO)cn1
BDBM50310979 Cc1ncc(cn1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
BDBM50310980 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1CN
BDBM50310981 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(CN)c1
BDBM50310982 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(CN)cc1
BDBM50310983 CN(C)Cc1cccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
BDBM50310984 CN(C)Cc1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1
BDBM50310985 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(CNC(=O)CO)cc1
BDBM50265155 Cc1ccc(cc1-c1ccc2c(c1)oc(cc2=O)-c1cccs1)C(=O)NC1CC1
BDBM50265156 Cc1ccc(cc1-c1ccc2[nH]c(=O)ccc2c1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50312057 CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
BDBM50252666 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(Cc2ccccc2)c2ccccc2)c1
BDBM50265069 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2C)-c2nnc(C)o2)CC1
BDBM50253151 C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)n[nH]c12 |r|
BDBM50253152 C[C@@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
BDBM50253153 Cc1ccc(cc1-c1ccc2c(nncc2c1)-c1ccccc1)C(=O)NC1CC1
BDBM50253154 Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50253155 CC(C)Oc1cncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50253147 CNc1noc2c(c(C)ccc12)-c1ccc2c(NC(C)C)nncc2c1
BDBM50253148 CC[C@H](C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC)noc12 |r|
BDBM50253149 CC(C)Nc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
BDBM50263209 Cc1ccc(NC(=O)c2ccnc(NCC3CC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263210 CC(C)CNc1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263211 Cc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263212 Cc1ccc(NC(=O)c2ccnc(NC3CCCCC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50253150 CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@H]1C |r|
BDBM50253791 OCC(O)CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50243075 Cc1ccc(cc1C(=O)Nc1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50243076 Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50314051 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
BDBM50314072 CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(cc12)C(=O)NCCN(C)C
BDBM50314073 CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
BDBM50315916 CCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315917 CCN(C(=O)c1ccc2OCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315918 CCN(C(=O)c1ccc2OCOc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315919 C[C@H](Nc1nccc(n1)N(CCCS(C)(=O)=O)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315920 CCN(C(=O)c1ccc2occc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315921 CCN(C(=O)c1cccc2CCOc12)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315922 CCN(C(=O)c1ccc2CCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315923 CCN(C(=O)c1ccc2CCCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315924 CCN(C(=O)c1csc2ccccc12)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315925 CCN(C(=O)c1cn(C)c2ccccc12)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315926 CCN(C(=O)c1cc2ccccc2o1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315927 CCN(C(=O)c1ccccc1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315928 CCN(C(=O)c1ccccc1Cl)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315929 CCN(C(=O)c1cccc(Cl)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315930 CCN(C(=O)c1ccc(Cl)cc1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315931 CCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315932 CCN(C(=O)c1ccc(C)c(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315933 CCN(C(=O)c1cccc(C)c1C)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315934 CCN(C(=O)c1cccc(CC)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50314344 Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
BDBM50314070 Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50314071 NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
BDBM50253827 CCOC(=O)C(Sc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1)C(=O)OCC
BDBM50253828 OCCCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50253829 OCCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50253831 COC(=O)CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50262821 Cc1ccc(NC(=O)C2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50308755 Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
BDBM50308756 Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
BDBM50308757 Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)cc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
BDBM50308758 Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
BDBM50308759 Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(C)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
BDBM50308760 Cc1ccc(cc1F)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
BDBM50308761 COc1cc(cc(OC)c1OC)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
BDBM50308762 Cc1ccc(NC(=O)c2[nH]c(nc2-c2cccc(c2)C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
BDBM50308763 Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
BDBM50263092 CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50318033 Brc1c(OCc2ccccc2)cnn(-c2ccccc2)c1=O
BDBM50318034 Fc1ccc(COc2cnn(-c3ccccc3)c(=O)c2Br)c(F)c1
BDBM50318035 Clc1cccc(Cl)c1-n1ncc(OCc2ccccc2)c(Br)c1=O |(1.93,-16.96,;1.94,-18.5,;3.27,-19.26,;3.28,-20.81,;1.95,-21.58,;.61,-20.82,;-.72,-21.59,;.61,-19.27,;-.72,-18.51,;-.72,-16.96,;-2.06,-16.19,;-3.39,-16.96,;-4.72,-16.19,;-6.05,-16.96,;-7.39,-16.19,;-7.38,-14.65,;-8.71,-13.88,;-10.05,-14.65,;-10.04,-16.2,;-8.71,-16.96,;-3.39,-18.51,;-4.72,-19.28,;-2.05,-19.28,;-2.05,-20.82,)|
BDBM50318036 Clc1cccc(Cl)c1-n1ncc(NCc2ccccc2)c(Br)c1=O |(17.67,-16.85,;17.67,-18.39,;19.01,-19.15,;19.01,-20.69,;17.68,-21.47,;16.35,-20.7,;15.01,-21.47,;16.35,-19.16,;15.02,-18.39,;15.01,-16.84,;13.68,-16.08,;12.35,-16.85,;11.01,-16.08,;9.68,-16.85,;8.35,-16.08,;8.35,-14.54,;7.02,-13.77,;5.69,-14.54,;5.69,-16.09,;7.02,-16.85,;12.35,-18.39,;11.01,-19.16,;13.68,-19.16,;13.68,-20.7,)|
BDBM50318037 Clc1cccc(Cl)c1-n1ncc(OCCc2ccccc2)c(Br)c1=O |(33.87,-16.67,;33.88,-18.21,;35.22,-18.97,;35.22,-20.52,;33.89,-21.29,;32.56,-20.52,;31.22,-21.29,;32.56,-18.98,;31.23,-18.21,;31.22,-16.66,;29.89,-15.9,;28.56,-16.67,;27.22,-15.9,;25.89,-16.67,;24.56,-15.9,;23.22,-16.67,;21.89,-15.9,;20.56,-16.67,;20.56,-18.21,;21.9,-18.98,;23.23,-18.2,;28.56,-18.21,;27.22,-18.98,;29.89,-18.98,;29.89,-20.52,)|
BDBM50318038 Clc1cccc(Cl)c1-n1ncc(NCCc2ccccc2)c(Br)c1=O |(2.65,-25.17,;2.66,-26.71,;4,-27.47,;4,-29.02,;2.67,-29.79,;1.34,-29.02,;0,-29.79,;1.34,-27.48,;.01,-26.71,;0,-25.16,;-1.33,-24.4,;-2.66,-25.17,;-4,-24.4,;-5.33,-25.17,;-6.66,-24.4,;-8,-25.17,;-9.33,-24.4,;-10.66,-25.17,;-10.66,-26.71,;-9.32,-27.48,;-7.99,-26.7,;-2.66,-26.71,;-4,-27.48,;-1.33,-27.48,;-1.33,-29.02,)|
BDBM50318039 Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)cc1 |(4.96,-22.83,;6.3,-23.59,;7.63,-22.82,;8.97,-23.59,;8.96,-25.13,;10.29,-25.9,;11.63,-25.13,;12.96,-25.9,;14.29,-25.13,;15.62,-25.9,;15.63,-27.45,;16.96,-28.21,;18.28,-27.44,;18.28,-25.9,;19.62,-28.2,;19.62,-29.75,;18.29,-30.52,;16.96,-29.75,;15.62,-30.52,;14.29,-28.22,;14.29,-29.76,;12.96,-27.45,;11.62,-28.21,;7.64,-25.9,;6.3,-25.14,)|
BDBM50318040 Fc1ccc(CNc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)cc1 |(20.13,-21.95,;21.47,-22.72,;22.8,-21.95,;24.13,-22.72,;24.13,-24.26,;25.46,-25.03,;26.8,-24.26,;28.13,-25.03,;29.46,-24.26,;30.79,-25.02,;30.8,-26.57,;32.13,-27.34,;33.45,-26.57,;33.45,-25.03,;34.79,-27.33,;34.79,-28.88,;33.46,-29.65,;32.13,-28.88,;30.79,-29.65,;29.46,-27.34,;29.46,-28.88,;28.13,-26.57,;26.79,-27.34,;22.81,-25.03,;21.47,-24.27,)|
BDBM50318041 Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1 |(-10.18,-31.86,;-8.85,-32.63,;-7.51,-31.86,;-6.18,-32.63,;-6.19,-34.17,;-4.86,-34.94,;-3.52,-34.17,;-2.19,-34.94,;-.86,-34.17,;.48,-34.93,;.48,-36.48,;1.81,-37.25,;3.14,-36.47,;3.13,-34.93,;4.47,-37.24,;4.48,-38.78,;3.14,-39.56,;1.81,-38.79,;.48,-39.56,;-.86,-37.25,;-.86,-38.79,;-2.19,-36.48,;-3.52,-37.25,;-7.51,-34.94,;-7.51,-36.48,;-8.84,-34.17,)|
BDBM50318049 CNC(=O)c1ccc(C)c(c1)-n1ncc(OCc2ccc(F)cc2F)c(Br)c1=O
BDBM50318050 Brc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50318051 Brc1c(OCc2ccccc2)cnn(Cc2ccccc2)c1=O
BDBM50308764 Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(F)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
BDBM50308765 Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(C)(C)C
BDBM50308766 Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1
BDBM50310986 Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1ccc(CNC(=O)CO)cc1
BDBM50310987 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(CNC(=O)CO)c1
BDBM50241256 O=C(Nc1sc2CCCCc2c1C#N)c1ccccc1
BDBM50277910 O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|
BDBM50310951 Clc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50310952 Ic1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50236494 CCCNc1nc2CN(C(=O)c2s1)c1cc(ccc1C)C(=O)NCC
BDBM50236495 CNC(=O)c1ccc(C)c(c1)N1Cc2nc(NC(C)C)sc2C1=O
BDBM50311953 CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
BDBM50311954 CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
BDBM50253903 CNc1cc(ccn1)-c1nc(SCC(O)CO)[nH]c1-c1ccc(F)cc1
BDBM50253904 CC(C)C(C)Nc1cc(ccn1)-c1nc(SCC(O)CO)[nH]c1-c1ccc(F)cc1
BDBM50253905 CCC(C)Nc1cc(ccn1)-c1nc(SCC(O)CO)[nH]c1-c1ccc(F)cc1
BDBM50253906 CC(C)Nc1cc(ccn1)-c1nc(SCC(O)CO)[nH]c1-c1ccc(F)cc1
BDBM50253907 OCC(O)CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCOCC2)c1
BDBM50262617 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCC1
BDBM50262618 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1ccccc1
BDBM50310953 Fc1ccc(Cn2ccc(OCc3ccc(Cl)cc3)c(Br)c2=O)cc1
BDBM50310954 Fc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)cc1
BDBM50310955 Fc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)c(F)c1
BDBM50310956 C=Cc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50310960 Fc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2C#N)c(F)c1
BDBM50310961 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1C#N
BDBM50310962 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(c1)C#N
BDBM50310963 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(cc1)C#N
BDBM50310964 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1C(N)=O
BDBM50310965 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(c1)C(N)=O
BDBM50310966 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(cc1)C(N)=O
BDBM50310967 CN(C)C(=O)c1cccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
BDBM50241084 COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM50310957 CCc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50310958 Cc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50310959 Fc1cccc(Cn2ccc(OCc3ccccc3)c(c2=O)C(F)(F)F)c1
BDBM50313102 Fc1ccc(c(F)c1)-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12
BDBM50313103 Cc1ccc(cc1Oc1nncc2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1
BDBM50313104 Fc1ccc(c(F)c1)-n1ncc2c(Oc3cc(ccc3Cl)C(=O)NC3CC3)nncc12
BDBM50313105 Fc1ccc(F)c(c1)-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12
BDBM50313107 Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)|
BDBM50313108 Cc1ccc(cc1Oc1nncc2n(ncc12)-c1c(F)cccc1F)C(=O)NC1CC1 |(19.02,-1.37,;20.32,-2.18,;21.68,-1.47,;22.99,-2.29,;22.92,-3.83,;21.57,-4.55,;20.27,-3.72,;18.91,-4.44,;18.85,-5.98,;20.18,-6.73,;20.19,-8.27,;18.86,-9.05,;17.53,-8.28,;16.08,-8.78,;15.16,-7.54,;16.05,-6.28,;17.53,-6.75,;15.32,-10.11,;13.77,-10.12,;13,-8.8,;13.02,-11.46,;13.8,-12.79,;15.34,-12.78,;16.1,-11.44,;17.63,-11.42,;24.23,-4.66,;24.17,-6.2,;25.59,-3.94,;26.9,-4.76,;27.61,-6.13,;28.44,-4.83,)|
BDBM50313095 Clc1ccc(cc1Nc1nncc2n(ncc12)-c1ccccc1Cl)C(=O)NC1CC1
BDBM50313096 Cc1ccc(cc1Nc1nncc2n(ncc12)-c1cccc(F)c1)C(=O)NC1CC1
BDBM50313097 Fc1cccc(c1)-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12
BDBM50313098 Fc1ccc(cc1)-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12
BDBM50313099 CCCNC(=O)c1ccc(C)c(Nc2nncc3n(ncc23)-c2ccc(F)cc2F)c1
BDBM50313100 Cc1ccc(cc1Nc1nncc2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1
BDBM50313101 Fc1ccc(c(F)c1)-n1ncc2c(Nc3cc(ccc3F)C(=O)NC3CC3)nncc12
BDBM50313106 Cc1ccc(cc1Nc1nncc2n(ncc12)-c1c(F)cccc1F)C(=O)NC1CC1 |(20.25,-34.57,;21.55,-35.38,;22.91,-34.66,;24.21,-35.48,;24.15,-37.02,;22.79,-37.74,;21.5,-36.91,;20.13,-37.63,;20.07,-39.17,;21.41,-39.92,;21.42,-41.47,;20.09,-42.24,;18.76,-41.48,;17.3,-41.98,;16.39,-40.74,;17.28,-39.48,;18.75,-39.94,;16.55,-43.31,;15,-43.32,;14.23,-42,;14.25,-44.66,;15.02,-45.99,;16.57,-45.97,;17.33,-44.63,;18.82,-44.23,;25.45,-37.85,;25.39,-39.39,;26.82,-37.13,;28.12,-37.96,;28.84,-39.32,;29.66,-38.02,)|
BDBM50313109 Cc1ccc(cc1Nc1nnc(C)c2n(ncc12)-c1ccc(F)cc1)C(=O)NC1CC1
BDBM50313110 Cc1nnc(Nc2cc(ccc2Cl)C(=O)NC2CC2)c2cnn(-c3ccc(F)cc3)c12
BDBM50313111 Cc1ccc(cc1Oc1nnc(C)c2n(ncc12)-c1ccc(F)cc1)C(=O)NC1CC1
BDBM50313112 Cc1ccc(cc1Nc1nnc(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1
BDBM50313113 Cc1nnc(Nc2cc(cc(F)c2C)C(=O)NC2CC2)c2cnn(-c3ccc(F)cc3F)c12
BDBM50313114 Cc1nnc(Nc2cc(ccc2Cl)C(=O)NC2CC2)c2cnn(-c3ccc(F)cc3F)c12
BDBM50313115 Cc1ccc(cc1Oc1nnc(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1
BDBM50313116 Cc1nnc(Nc2cc(ccc2Cl)C(=O)NC2CC2)c2cnn(-c3c(F)cccc3F)c12 |(23.88,-24.12,;23.87,-22.58,;25.2,-21.8,;25.19,-20.26,;23.86,-19.51,;23.92,-17.97,;25.28,-17.25,;26.58,-18.08,;27.93,-17.36,;28,-15.82,;26.69,-15,;25.33,-15.71,;24.03,-14.9,;29.24,-18.19,;29.18,-19.73,;30.6,-17.47,;31.91,-18.29,;32.62,-19.66,;33.45,-18.36,;22.53,-20.28,;21.06,-19.82,;20.17,-21.08,;21.08,-22.32,;20.33,-23.65,;18.78,-23.65,;18,-22.33,;18.03,-25,;18.8,-26.33,;20.35,-26.31,;21.11,-24.97,;22.64,-24.95,;22.54,-21.82,)|
BDBM50314146 CCCNc1nccc(n1)-c1c(nc2CC[C@@H](Cc3ccc(OC)cc3)n12)-c1ccc(F)cc1 |r|
BDBM50314149 CN(C)CCCC(=O)Nc1cc(cc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12)C(O)=O
BDBM50263279 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1nncs1
BDBM50293513 N(c1ccncc1)c1nc(nc2ccccc12)-c1ccccc1
BDBM50293514 Clc1cccc(c1)-c1nc(Nc2ccncc2)c2ccccc2n1
BDBM50293515 Cc1csc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
BDBM50293516 Cc1cccc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
BDBM50293517 Cc1cccc(n1)-c1nc(Nc2ccnc(C)c2)c2ccccc2n1
BDBM50293518 Cc1cccc(n1)-c1nc(Nc2cccc(c2)C(N)=O)c2ccccc2n1
BDBM50293519 Cc1cccc(n1)-c1nc(Nc2ccncn2)c2ccccc2n1
BDBM50293520 Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
BDBM50315935 CCN(C(=O)c1cccc(c1)C1CC1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315936 CCN(C(=O)c1cccc(c1)C(F)(F)F)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315957 O=C(N(CC1CCNCC1)c1ccnc(NC2CC2)n1)c1ccc2OCCc2c1
BDBM50315958 CC(C)Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1
BDBM50315959 NCCCCN(C(=O)c1ccc2OCCc2c1)c1ccnc(NC2CCC(O)CC2)n1 |(4.21,-2.5,;3.12,-3.6,;1.79,-2.83,;.46,-3.6,;-.87,-2.84,;-2.2,-3.61,;-2.2,-5.15,;-.87,-5.91,;-3.53,-5.92,;-3.52,-7.45,;-4.85,-8.22,;-6.19,-7.46,;-7.66,-7.94,;-8.57,-6.69,;-7.66,-5.44,;-6.19,-5.92,;-4.86,-5.14,;-3.54,-2.84,;-4.87,-3.61,;-6.21,-2.84,;-6.21,-1.3,;-4.88,-.53,;-4.88,1.01,;-3.55,1.78,;-2.21,1.02,;-.88,1.79,;-.88,3.33,;.45,4.09,;-2.21,4.1,;-3.55,3.33,;-3.54,-1.29,)|
BDBM50315960 COC[C@H](C)Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1 |r|
BDBM50315961 C[C@@H](CO)Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1 |r|
BDBM50314776 Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
BDBM50314777 Cc1ccc(cc1-c1cc2cnn(-c3ccccc3C)c2n(C)c1=O)C(=O)NC1CC1
BDBM50314778 Cc1ccc(cc1-c1cc2cnn(-c3ccccc3Cl)c2n(C)c1=O)C(=O)NC1CC1
BDBM50314779 Cc1ccc(cc1-c1cc2cnn(-c3ncccc3C(F)(F)F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50314780 Cc1ccc(cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50314781 Cc1ccc(cc1-c1cc2cnn(-c3cc(F)ccc3F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50314782 CCn1c2n(ncc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1ccc(F)cc1F
BDBM50314783 Cc1nn(-c2c(F)cccc2F)c2n(C)c(=O)c(cc12)-c1cc(ccc1C)C(=O)NC1CC1 |(5.79,-3.45,;5.32,-1.98,;6.23,-.74,;5.31,.53,;6.08,1.86,;7.58,1.93,;8.35,.57,;8.35,3.26,;7.52,4.55,;5.98,4.56,;5.31,3.21,;3.73,3.4,;3.86,.04,;2.53,.82,;2.54,2.36,;1.2,.06,;-.13,.84,;1.19,-1.48,;2.52,-2.26,;3.86,-1.5,;-.15,-2.24,;-1.48,-1.47,;-2.82,-2.23,;-2.83,-3.77,;-1.5,-4.55,;-.16,-3.78,;1.17,-4.56,;-4.15,-1.45,;-4.14,.09,;-5.48,-2.22,;-6.81,-1.44,;-8.35,-1.43,;-7.58,-.1,)|
BDBM50314784 Cn1c2n(ncc2cc(-c2cc(ccc2Cl)C(=O)NC2CC2)c1=O)-c1c(F)cccc1F |(2.55,2.36,;2.53,.82,;3.86,.04,;5.31,.52,;6.22,-.75,;5.31,-1.98,;3.85,-1.5,;2.51,-2.26,;1.18,-1.48,;-.16,-2.23,;-1.49,-1.45,;-2.83,-2.21,;-2.84,-3.75,;-1.51,-4.53,;-.17,-3.77,;1.16,-4.56,;-4.15,-1.43,;-4.14,.11,;-5.49,-2.19,;-6.82,-1.41,;-8.36,-1.4,;-7.58,-.07,;1.19,.06,;-.13,.85,;6.09,1.85,;7.58,1.92,;8.35,.56,;8.36,3.24,;7.53,4.54,;5.99,4.56,;5.32,3.21,;3.73,3.4,)|
BDBM50314785 Cc1c(F)cc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-3.81,;-.13,-3.04,;-1.47,-3.81,;-1.46,-5.35,;-2.8,-3.04,;-2.8,-1.5,;-1.47,-.73,;-.14,-1.5,;1.2,-.73,;2.53,-1.49,;3.86,-.72,;5.33,-1.2,;6.23,.05,;5.3,1.31,;6.07,2.64,;7.56,2.72,;8.35,1.37,;8.33,4.06,;7.49,5.35,;5.95,5.35,;5.29,3.99,;3.7,4.17,;3.86,.82,;2.53,1.59,;2.53,3.13,;1.19,.81,;-.14,1.58,;-4.14,-.73,;-4.14,.81,;-5.47,-1.51,;-6.81,-.74,;-8.35,-.74,;-7.58,.6,)|
BDBM50314786 Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(N)=O |(-.24,-4.57,;-1.57,-3.81,;-2.91,-4.58,;-4.24,-3.81,;-4.24,-2.27,;-2.91,-1.5,;-1.57,-2.27,;-.24,-1.49,;1.09,-2.26,;2.43,-1.49,;3.89,-1.97,;4.8,-.72,;3.87,.54,;4.64,1.87,;6.13,1.95,;6.91,.6,;6.9,3.28,;6.06,4.58,;4.52,4.58,;3.85,3.22,;2.27,3.4,;2.43,.05,;1.09,.82,;1.09,2.36,;-.24,.05,;-1.58,.81,;-5.58,-1.5,;-5.58,.04,;-6.91,-2.27,)|
BDBM50314792 CNc1noc2c(c(C)ccc12)-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O |(-7.45,-.18,;-6.45,-1.35,;-4.93,-1.06,;-4.28,.33,;-2.75,.13,;-2.46,-1.38,;-1.15,-2.18,;-1.18,-3.72,;.13,-4.52,;-2.53,-4.46,;-3.85,-3.66,;-3.81,-2.12,;.2,-1.44,;1.52,-2.24,;2.87,-1.5,;4.32,-2.01,;5.26,-.78,;4.36,.5,;5.16,1.81,;6.65,1.86,;7.4,.49,;7.45,3.17,;6.64,4.48,;5.1,4.52,;4.41,3.18,;2.83,3.4,;2.91,.04,;1.59,.84,;1.62,2.38,;.24,.1,;-1.08,.9,)|
BDBM50263297 CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(c2)-c2ccc(cc2)C(=O)Nc2cccc(c2)C#N)c1
BDBM50243182 Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1
BDBM50315937 CCN(C(=O)c1ccc(F)c(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315938 CCN(C(=O)c1cc(C)ccc1F)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50314787 Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1(C)CC1 |(-1.2,4.58,;.14,3.81,;1.47,4.59,;2.81,3.82,;2.81,2.28,;1.48,1.51,;.14,2.27,;-1.19,1.5,;-2.52,2.27,;-3.85,1.49,;-5.32,1.96,;-6.22,.71,;-5.29,-.54,;-6.06,-1.88,;-7.55,-1.96,;-8.33,-.61,;-8.31,-3.3,;-7.47,-4.59,;-5.93,-4.58,;-5.27,-3.23,;-3.69,-3.4,;-3.85,-.05,;-2.51,-.81,;-2.51,-2.35,;-1.18,-.04,;.15,-.81,;4.15,1.52,;4.15,-.02,;5.48,2.29,;6.81,1.52,;6.82,.02,;7.8,2.71,;8.33,1.26,)|
BDBM50314788 Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)Nc1ccon1 |(1.64,-4.57,;.31,-3.8,;-1.02,-4.57,;-2.36,-3.8,;-2.36,-2.26,;-1.02,-1.49,;.31,-2.26,;1.64,-1.49,;2.98,-2.26,;4.31,-1.49,;5.78,-1.97,;6.68,-.72,;5.75,.53,;6.52,1.87,;8.01,1.95,;8.8,.59,;8.78,3.28,;7.94,4.57,;6.41,4.57,;5.74,3.22,;4.16,3.4,;4.31,.05,;2.98,.82,;2.98,2.36,;1.64,.05,;.31,.82,;-3.69,-1.49,;-3.69,.05,;-5.02,-2.26,;-6.36,-1.49,;-7.77,-2.12,;-8.8,-.98,;-8.03,.36,;-6.52,.04,)|
BDBM50314789 Cc1ccc(cc1-c1ccc2c(nncc2c1)-c1ccccc1F)C(=O)NC1CC1
BDBM50314790 Cc1ccc(cc1-c1cc2cnn(-c3ccccc3F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50314791 Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(O)=O |(-.23,-4.58,;-1.57,-3.81,;-2.9,-4.59,;-4.23,-3.82,;-4.24,-2.28,;-2.91,-1.51,;-1.57,-2.27,;-.24,-1.5,;1.1,-2.27,;2.43,-1.49,;3.89,-1.96,;4.8,-.71,;3.86,.54,;4.63,1.88,;6.12,1.96,;6.9,.61,;6.88,3.3,;6.04,4.59,;4.5,4.58,;3.84,3.23,;2.26,3.4,;2.42,.05,;1.09,.81,;1.08,2.35,;-.24,.04,;-1.58,.81,;-5.57,-1.52,;-5.58,.02,;-6.9,-2.29,)|
BDBM50315955 CC(C)(CO)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1
BDBM50315956 CCC(COC)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1
BDBM50307987 CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
BDBM50315122 CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315123 OCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315124 COCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315125 CN(C)C(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315126 CS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315127 Fc1ccc(cc1)-c1n[nH]c(C2CCCNC2)c1-c1ccncc1
BDBM50315128 CN1CCCC(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50315129 Fc1ccc(cc1)-c1n[nH]c(C2CCNCC2)c1-c1ccncc1
BDBM50315130 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50315131 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315132 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(Cl)c1
BDBM50315133 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(cc1)C(F)(F)F
BDBM50315134 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(c1)C(F)(F)F
BDBM50315135 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(C)cc1
BDBM50315939 CC(C)CN(C(=O)c1ccc2OCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315940 C[C@H](Nc1nccc(n1)N(CC1CC1)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315873 C[C@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1)c1ccccc1 |r|
BDBM50315874 C[C@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(C)=O)c1ccccc1 |r|
BDBM50315875 CCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)c1 |r|
BDBM50315876 C[C@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 |r|
BDBM50315877 C[C@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)N1CCC2C=CC=CC2C1)c1ccccc1 |r,c:26,28|
BDBM50265070 Cc1ccc(cc1-c1ccc2nc(N)[nH]c(=O)c2c1)C(=O)NC1CC1
BDBM50265071 Cc1ccc(cc1-c1ccc2nc(N)[nH]c(=O)c2c1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50265072 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2nc(N)[nH]c(=O)c2c1
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50315866 Fc1ccc(CN(C(=O)c2ccc3ccccc3c2)c2ccncc2)cc1
BDBM50315867 C[C@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1)c1ccccc1 |r|
BDBM50315868 C[C@@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1)c1ccccc1 |r|
BDBM50315869 Fc1ccc(CN(C(=O)c2ccc3ccccc3c2)c2ccnc(NCc3ccccc3)c2)cc1
BDBM50315870 Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1
BDBM50315871 Fc1ccc(CN(C(=O)c2ccc3ccccc3c2)c2ccnc(NC3CCCCC3)c2)cc1
BDBM50315872 CC(C)Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1
BDBM50265197 Cc1ccc(cc1-c1ccc2cc[nH]c(=O)c2c1)C(=O)NC1CC1
BDBM50265198 Cc1ccc(cc1-c1ccc2cc[nH]c(=O)c2c1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50156831 CC(=O)Nc1cc(ccn1)-c1c(nc(SCc2ccc(cc2)S(C)=O)n1CCO)-c1ccc(F)cc1
BDBM50156832 COC(Cn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
BDBM50156833 CCOC(=O)N1CCC(CC1)n1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156834 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CC1COC(C)(C)O1)-c1ccc(F)cc1
BDBM50156835 COCCn1c(SCc2ccc(cc2)S(C)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156836 CC(=O)Nc1cc(ccn1)-c1c(nc(SCCC(=O)N2CCOCC2)n1CCO)-c1ccc(F)cc1
BDBM50156837 CC(=O)Nc1cc(ccn1)-c1c(nc(SCCCC(=O)N2CCOCC2)n1CCO)-c1ccc(F)cc1
BDBM50156838 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCOCCO)-c1ccc(F)cc1
BDBM50156839 CSCCn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156840 CC(=O)Nc1cc(ccn1)-c1c(nc(SCc2ccc(cc2)S(C)=O)n1CCOCC=C)-c1ccc(F)cc1
BDBM50156841 CC(=O)Nc1cc(ccn1)-c1c(nc(SCc2ccc(cc2)S(C)=O)n1C)-c1ccc(F)cc1
BDBM50156842 COCCCn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156843 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCNC(C)=O)-c1ccc(F)cc1
BDBM50156844 CC(=O)Nc1cc(ccn1)-c1c(nc(SCc2ccc(cc2)S(C)=O)n1CCOCC#C)-c1ccc(F)cc1
BDBM50156845 CC(=O)Nc1cc(ccn1)-c1c(nc(SCc2ccc(cc2)S(C)=O)n1CCN1CCCCC1)-c1ccc(F)cc1
BDBM50156846 CC(O)Cn1c(SCc2ccc(cc2)S(C)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156847 CSCCn1c(SCc2ccc(cc2)S(C)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156848 COCCCn1c(SCCC(=O)N2CCOCC2)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156818 CC(=O)Nc1cc(ccn1)-c1c(nc(SCc2ccc(cc2)S(C)=O)n1CCOCCO)-c1ccc(F)cc1
BDBM50091918 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)on1
BDBM50091919 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1
BDBM50156829 CC(=O)Nc1cc(ccn1)-c1c(nc(SCc2ccc(cc2)S(C)=O)n1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50156830 CC(=O)NCCn1c(SCc2ccc(cc2)S(C)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156824 CC(=O)Nc1cc(ccn1)-c1c(nc(SCc2ccc(cc2)S(C)=O)n1C1CC(C)(C)NC(C)(C)C1)-c1ccc(F)cc1
BDBM50156825 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCN(C)C)-c1ccc(F)cc1
BDBM50156826 COCCn1c(SCCC(=O)N2CCOCC2)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156827 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCN1CCOCC1)-c1ccc(F)cc1
BDBM50156828 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCO)-c1ccc(F)cc1
BDBM50252088 NC(=O)c1cccc(Cn2cnc(c2-c2ccnc(N)n2)-c2ccc(F)cc2)c1
BDBM50251974 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2)c1
BDBM50251933 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(OCc2ccccc2)c1
BDBM50251977 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCC(C)(C)C)c1
BDBM50251978 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)C(C)C)c1
BDBM50252029 COc1ccc(CNc2nccc(n2)-c2c(ncn2Cc2cccc(c2)C#N)-c2ccc(F)cc2)cc1
BDBM50252030 Nc1nccc(n1)-c1c(ncn1Cc1cccc(c1)C#N)-c1ccc(F)cc1
BDBM50252031 C[C@H](Nc1nccc(n1)-c1c(ncn1Cc1cccc(c1)C#N)-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50156817 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCN1CCCCC1)-c1ccc(F)cc1
BDBM50156819 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCOCC#C)-c1ccc(F)cc1
BDBM50156820 COCCn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50156821 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCO)-c1ccc(F)cc1
BDBM50156822 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50156823 CC(=O)Nc1cc(ccn1)-c1c(nc(SCCC(=O)N2CCOCC2)n1CCCO)-c1ccc(F)cc1
BDBM50262779 CC(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50072064 Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
BDBM50251980 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CC(C)C)c1
BDBM50251991 COCCn1c(SC)nc(c1-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
BDBM50275500 Fc1ccc(cc1)-c1nn2cccc(F)c2c1-c1ccncc1
BDBM50232725 CCn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
BDBM50232726 Cn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50251979 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)C(C)(C)C)c1
BDBM50251975 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2C)c1
BDBM50251976 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCC(C)C)c1
BDBM50252032 Fc1ccc(cc1)-c1ncn(Cc2cccc(c2)C#N)c1-c1ccnc(NC2CC2)n1
BDBM50218815 CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(cc12)C(=O)N1CCc2c(C1)ncnc2-c1ccc(F)cc1F
BDBM50218816 Clc1ccccc1-n1ncc2CN(CCc12)C(=O)c1cc2ccccc2[nH]1
BDBM50218817 COc1cc2n(C)ccc2cc1C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F
BDBM50218818 COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCc2c(C1)cnn2-c1ccccc1Cl
BDBM50218819 Fc1ccc(-c2ncc3CN(CCn23)C(=O)c2c(F)cccc2F)c(F)c1
BDBM50277662 COc1ccc(cc1NC(=O)c1cc2ccccc2o1)C(C)(C)C
BDBM50262974 CN1CCN(CC1)c1ccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)C(=O)NC2CC2)cc1
BDBM50252182 COc1nccc(n1)-c1c(ncn1Cc1ccc(cc1)C(N)=O)-c1ccc(F)cc1
BDBM50251992 COCCn1c(SC)nc(c1-c1ccnc(N[C@H](C)C2CCCCC2)c1)-c1ccc(F)cc1 |r|
BDBM50251993 COCCn1c(SC)nc(c1-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1)-c1ccc(F)cc1 |r,wU:17.17,wD:20.21,(29.63,-2.28,;28.09,-2.28,;27.32,-.95,;25.78,-.95,;25.02,.38,;25.93,1.62,;27.47,1.61,;28.24,.28,;25.03,2.87,;23.56,2.4,;23.56,.85,;22.23,.09,;20.9,.86,;19.56,.09,;19.56,-1.45,;20.91,-2.22,;20.91,-3.76,;22.25,-4.52,;23.58,-3.75,;24.93,-4.52,;24.93,-6.07,;26.26,-6.84,;23.59,-6.84,;22.25,-6.05,;22.23,-1.44,;22.24,3.17,;22.25,4.71,;20.92,5.49,;19.58,4.73,;18.25,5.51,;19.58,3.18,;20.91,2.41,)|
BDBM50251994 COCCn1c(SC)nc(c1-c1ccnc(NC2CCCC[C@H]2O)c1)-c1ccc(F)cc1 |r|
BDBM50251995 COCCn1c(SC)nc(c1-c1ccnc(NC(C)CO)c1)-c1ccc(F)cc1
BDBM50251996 COCCn1c(SC)nc(c1-c1ccnc(N[C@H](C)CO)c1)-c1ccc(F)cc1 |r|
BDBM50248889 Fc1ccc(Nc2ccc3c(c2)ccc2ncccc2c3=O)c(F)c1
BDBM50248890 Nc1ccccc1Nc1ccc2c(CCc3ncccc3C2=O)c1
BDBM50248891 Nc1cc(F)ccc1Nc1ccc2c(CCc3ncccc3C2=O)c1
BDBM50181532 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM50251884 COc1nccc(n1)-c1ncn(Cc2cccc(c2)C(N)=O)c1-c1ccc(F)cc1
BDBM50251885 C[C@H](Nc1nccc(n1)-c1ncn(Cc2ccc(cc2)C(N)=O)c1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50256750 Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
BDBM50148660 Fc1ccc(cc1)-c1c2CCCn2nc1-c1ccccn1
BDBM50262975 Cc1ccc(cc1-c1ccc(cc1)C(=O)NN)C(=O)NC1CC1
BDBM50264756 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1
BDBM50259637 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259638 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50173635 CCc1nc(c(s1)-c1ccnc(c1)N1CCCC1)-c1cccc(C)c1
BDBM50173636 CCc1nc(c(s1)-c1ccnc(C)c1)-c1cccc(C)c1
BDBM50263064 Clc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50259563 NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
BDBM50178827 Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOC3)c2)cc1
BDBM50178830 Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOCC3)c2)cc1
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50262976 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCCCO)C(=O)NC1CC1
BDBM50262977 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCCCN1CCOCC1)C(=O)NC1CC1
BDBM50262978 CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50072147 Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
BDBM50243074 Cc1ccc(cc1NC(=O)c1cncnc1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50235891 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1cccc(C)c1
BDBM50235907 CC(C)Nc1nc2ccc(cc2s1)-c1[nH]cnc1-c1ccccc1F
BDBM50235892 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1ccc(Cl)cc1
BDBM50235893 CC[C@H](C)Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
BDBM50235894 CC[C@H](C)Nc1nc2ccc(cc2s1)-c1c(N)[nH]nc1-c1ccccc1F
BDBM50235895 CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1c(N)[nH]nc1-c1ccccc1F
BDBM50235896 CC(C)Nc1nc2ccc(cc2s1)-c1c(N)[nH]nc1-c1ccccc1F
BDBM50235897 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1cccc(Cl)c1
BDBM50235898 Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
BDBM50235899 CC(C)Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
BDBM50235900 CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1c(N)n(C)nc1-c1ccccc1F
BDBM50235901 CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
BDBM50235902 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1ccccc1Cl
BDBM50235903 CC(C)Nc1nc2ccc(cc2s1)-c1ccnn1-c1ccccc1C
BDBM50235904 CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1[nH]cnc1-c1ccccc1F
BDBM50235905 CC[C@H](C)Nc1nc2ccc(cc2s1)-c1[nH]cnc1-c1ccccc1F
BDBM50235906 Fc1ccccc1-c1ncoc1-c1ccc2ncsc2c1
BDBM50323658 COc1c(NC(=O)Cc2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50104356 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
BDBM46421 Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
BDBM50255959 Cc1nc(ccc1F)-c1nc(N)[nH]c1-c1ccc2nccnc2c1
BDBM50255960 Cc1cccc(n1)-c1nc(N)sc1-c1ccc2nccnc2c1
BDBM50297454 Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1
BDBM50297455 Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
BDBM50300884 COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc(SC)[nH]c2-c2ccc(F)cc2)c(OC)c1 |w:6.5|
BDBM50300885 CCC(C)Nc1cc(ccn1)-c1c(noc1C(C)C)-c1ccc(F)cc1
BDBM50300886 CC(C)c1onc(c1-c1ccnc(NC2CCOCC2)c1)-c1ccc(F)cc1
BDBM50300887 CC(C)c1onc(c1-c1ccnc(N[C@H](C)c2ccccc2)c1)-c1ccc(F)cc1 |r|
BDBM50310142 CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
BDBM50310146 COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
BDBM50310147 CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
BDBM50310148 COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
BDBM50262818 Cc1ccc(NC(=O)CC2CC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50262819 CC(C)CC(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50265033 Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50274366 Cn1nc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50325368 Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1 |r|
BDBM50325369 CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12
BDBM50323516 Fc1ccc(cc1)-c1[nH]cc(c1-c1ccncc1)C1=C[C@@H]2CCCN2CC1 |r,t:21|
BDBM50298220 Cc1cccc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(C)(C)C
BDBM50323648 CC(C)(C)c1cccc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)c1
BDBM50323649 CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(c1)C#N
BDBM50323650 O=C(Nc1cc(cc(c1)N1CCOCC1)C#N)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
BDBM50323651 COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C#N)C(C)(C)C
BDBM50323652 COc1ccc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50323653 COc1c(Cl)cc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50323654 COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50323655 COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C(=O)NC1CC1)C(C)(C)C
BDBM50323656 COc1c(NC(=O)C(N=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50323657 COc1c(NC(=O)C(O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50323659 COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50277583 Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50323660 COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50323661 COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1C#N)C(C)(C)C
BDBM50323662 COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(n3)N3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50323663 COc1c(NC(=O)C(=O)c2ccc(-c3cccnc3)c3ccccc23)cc(cc1C#N)C(C)(C)C
BDBM50323664 COc1c(NC(=O)C(=O)c2ccc(-c3ccncc3)c3ccccc23)cc(cc1C#N)C(C)(C)C
BDBM50323665 COc1c(NC(=O)C(=O)c2ccc(-c3ccc(F)nc3)c3ccccc23)cc(cc1C#N)C(C)(C)C
BDBM50323666 COc1c(NC(=O)C(=O)c2ccc(-c3ccnc(C)c3)c3ccccc23)cc(cc1C#N)C(C)(C)C
BDBM50323668 CNc1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(cc(NS(C)(=O)=O)c3OC)C(C)(C)C)c3ccccc23)n1
BDBM50323915 CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
BDBM50323916 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)CC1
BDBM50323917 FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)ccc1Cl
BDBM50323918 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C
BDBM50323919 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1
BDBM50323920 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
BDBM50264958 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc(cc1)-c1csc(N)n1
BDBM50262867 Cc1ccc(NC(=O)c2ccsc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50262868 Cc1ccc(NC(=O)c2ccno2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50323921 FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl
BDBM50323922 Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50274364 Cc1cccc(c1)-n1nc(cc1C(N=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50274367 Cc1oc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50263261 Cc1ccc(NC(=O)c2cccc(c2)-c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM36489 CN1SC(=C)c2cc(ccc12)S(=O)(=O)Nc1ccccc1N1CCCCC1
BDBM50325373 Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NCCN4CCCC4)n3n2)cc1Cl
BDBM50325374 Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)cc1Cl |r|
BDBM50325375 O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r|
BDBM50303590 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C
BDBM50303591 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ccnc3ccc(N)cc23)cc1)C(C)(C)C
BDBM50303592 CCC(=O)Nc1ccc2nccc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1
BDBM50303593 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(N)cc23)c1)C(C)(C)C
BDBM50303594 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C
BDBM50303595 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccccc23)c1)C(C)(C)C
BDBM50303596 CCC(=O)Nc1ccc2nccc(Nc3cccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c3)c2c1
BDBM50303597 Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O |r|
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM50323422 CC(=O)NC1(CCCC1)C(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50323423 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNS(C)(=O)=O)c1
BDBM50323424 CN(Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C)C(=O)CNC(C)=O
BDBM50323425 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CN2CCCC2=O)c1
BDBM50323426 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CN2CCOC2=O)c1
BDBM50323427 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2ccccc2=O)c1
BDBM50323428 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2ccnc2)c1
BDBM50323429 Cc1nccn1CC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50323430 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2cccn2)c1
BDBM50323431 Cc1ccn(CC(=O)NCc2cccc(c2)-n2nc(cc2NC(=O)Nc2ccccc2)C(C)(C)C)n1
BDBM50323432 Cc1cc(C)n(CC(=O)NCc2cccc(c2)-n2nc(cc2NC(=O)Nc2ccccc2)C(C)(C)C)n1
BDBM50323433 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
BDBM50323434 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CC(C)(C)C(O)=O)c1
BDBM50323435 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2C[C@H]2C(O)=O)c1 |r|
BDBM50304008 CC(C)Nc1cc(ccn1)-c1nc2cccnc2nc1-c1ccc(F)cc1
BDBM50304009 CC(C)Nc1cc(ccn1)-c1nc2cc(C)c(C)cc2nc1-c1ccc(F)cc1
BDBM50304010 CCC(C)Nc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1
BDBM50304011 CC(C)Nc1cc(ccn1)-c1nc2ncccc2nc1-c1ccc(F)cc1
BDBM50304012 CC(C)[C@H](C)Nc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1 |r|
BDBM50304013 O[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(2.39,-45.47,;3.72,-44.7,;3.72,-43.16,;5.04,-42.39,;6.37,-43.15,;6.39,-44.69,;5.06,-45.47,;7.7,-42.38,;7.69,-40.84,;9.02,-40.06,;9.01,-38.53,;7.68,-37.76,;6.34,-38.53,;6.35,-40.07,;10.34,-37.75,;11.67,-38.51,;13,-37.75,;14.33,-38.52,;15.67,-37.75,;15.66,-36.2,;14.33,-35.43,;13,-36.21,;11.67,-35.44,;10.34,-36.2,;9,-35.44,;9,-33.89,;7.67,-33.12,;6.33,-33.89,;5,-33.13,;6.34,-35.44,;7.67,-36.2,)|
BDBM50304014 CC(C)Nc1cc(ccn1)-c1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(F)cc1
BDBM50304015 C[C@H](Nc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50304023 Fc1ccc(cc1)-c1nc2ncccc2nc1-c1ccncc1
BDBM50304024 CC(C)[C@@H](C)Nc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1 |r|
BDBM50304025 Fc1ccc(cc1)-c1nc2ccccc2nc1-c1ccncc1
BDBM50303224 Cn1c2nc(Nc3ccc(N)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.54,-27.86,;3.54,-26.32,;2.21,-25.55,;.88,-26.33,;-.44,-25.56,;-1.78,-26.33,;-3.11,-25.56,;-4.45,-26.33,;-5.78,-25.56,;-5.78,-24.02,;-7.12,-23.25,;-4.45,-23.25,;-3.12,-24.01,;-.46,-24.02,;.87,-23.25,;2.21,-24.01,;3.54,-23.24,;4.87,-24.01,;6.19,-23.23,;6.19,-21.7,;4.85,-20.94,;7.51,-20.92,;8.86,-21.69,;8.86,-23.23,;7.53,-24,;7.54,-25.54,;4.88,-25.55,;6.21,-26.32,)|
BDBM50303225 CC(=O)Nc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(12.66,-24.01,;14,-24.78,;14,-26.32,;15.33,-24.01,;16.67,-24.78,;16.66,-26.32,;18,-27.1,;19.33,-26.32,;20.67,-27.09,;22,-26.32,;21.99,-24.78,;23.32,-24.01,;24.66,-24.78,;25.99,-24.01,;27.32,-24.77,;28.64,-24,;28.63,-22.46,;27.29,-21.7,;29.96,-21.68,;31.3,-22.45,;31.31,-23.99,;29.98,-24.76,;29.98,-26.3,;27.32,-26.32,;28.66,-27.08,;25.99,-27.09,;25.99,-28.63,;24.66,-26.32,;23.33,-27.09,;19.33,-24.77,;17.99,-24.01,)|
BDBM50303226 Cn1c2nc(Nc3ccc(NC(=O)CCl)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.94,-40.11,;4.94,-38.57,;3.61,-37.8,;2.28,-38.57,;.96,-37.8,;-.38,-38.57,;-1.71,-37.8,;-3.05,-38.58,;-4.38,-37.8,;-4.38,-36.26,;-5.72,-35.49,;-7.05,-36.26,;-7.05,-37.8,;-8.38,-35.49,;-9.72,-36.26,;-3.05,-35.49,;-1.72,-36.25,;.94,-36.26,;2.27,-35.49,;3.61,-36.26,;4.94,-35.49,;6.27,-36.25,;7.59,-35.48,;7.59,-33.94,;6.25,-33.18,;8.91,-33.16,;10.26,-33.93,;10.26,-35.47,;8.93,-36.24,;8.94,-37.78,;6.28,-37.8,;7.61,-38.56,)|
BDBM50303227 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(19.66,-4.1,;20.99,-3.33,;21,-1.79,;22.32,-1.02,;23.66,-1.79,;23.67,-3.33,;22.33,-4.1,;24.99,-1.02,;24.99,.52,;26.33,-1.79,;26.32,-3.33,;27.66,-4.1,;28.99,-3.33,;30.33,-4.1,;31.66,-3.33,;31.65,-1.79,;32.98,-1.02,;34.32,-1.78,;35.65,-1.02,;36.98,-1.78,;38.3,-1,;38.29,.53,;36.95,1.29,;39.62,1.31,;40.96,.54,;40.97,-1,;39.64,-1.77,;39.64,-3.31,;36.98,-3.32,;38.32,-4.09,;35.65,-4.09,;35.65,-5.63,;34.32,-3.33,;32.99,-4.1,;28.99,-1.78,;27.65,-1.02,)|
BDBM50303228 Cn1c2nc(Nc3ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(11.49,-5.91,;11.49,-4.37,;10.16,-3.6,;8.83,-4.37,;7.5,-3.6,;6.17,-4.37,;4.84,-3.6,;3.5,-4.38,;2.17,-3.61,;2.17,-2.06,;.83,-1.29,;-.5,-2.06,;-.5,-3.6,;-1.83,-1.29,;-3.17,-2.06,;-4.5,-1.29,;-5.83,-2.06,;-5.83,-3.6,;-7.17,-1.29,;-8.5,-2.06,;-9.84,-1.29,;-8.5,-3.6,;-9.85,-2.82,;3.5,-1.29,;4.83,-2.05,;7.49,-2.06,;8.82,-1.29,;10.16,-2.06,;11.49,-1.29,;12.82,-2.05,;14.14,-1.28,;14.13,.26,;12.8,1.02,;15.46,1.03,;16.8,.27,;16.81,-1.27,;15.48,-2.05,;15.48,-3.59,;12.83,-3.6,;14.16,-4.36,)|
BDBM50303229 Cn1c2nc(Nc3ccc(NCC(O)CO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(15.19,-18.34,;15.19,-16.8,;13.86,-16.03,;12.53,-16.81,;11.2,-16.04,;9.87,-16.81,;8.53,-16.04,;7.19,-16.81,;5.86,-16.04,;5.86,-14.5,;4.53,-13.73,;3.19,-14.5,;1.86,-13.73,;1.86,-12.19,;.53,-14.5,;-.81,-13.73,;7.19,-13.73,;8.53,-14.49,;11.19,-14.5,;12.51,-13.73,;13.86,-14.49,;15.18,-13.72,;16.52,-14.49,;17.84,-13.71,;17.83,-12.18,;16.49,-11.42,;19.15,-11.4,;20.5,-12.17,;20.5,-13.71,;19.17,-14.48,;19.18,-16.02,;16.52,-16.03,;17.86,-16.8,)|
BDBM50303230 Cn1c2nc(Nc3ccc(NC(=O)CCN)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(28.74,-40.46,;28.74,-38.92,;27.41,-38.15,;26.08,-38.92,;24.76,-38.15,;23.42,-38.92,;22.09,-38.15,;20.75,-38.93,;19.42,-38.15,;19.42,-36.61,;18.08,-35.84,;16.75,-36.61,;16.75,-38.15,;15.42,-35.84,;14.08,-36.61,;12.75,-35.84,;20.75,-35.84,;22.08,-36.6,;24.74,-36.61,;26.07,-35.84,;27.41,-36.61,;28.74,-35.84,;30.07,-36.6,;31.39,-35.83,;31.39,-34.29,;30.05,-33.53,;32.71,-33.51,;34.06,-34.28,;34.06,-35.82,;32.73,-36.59,;32.74,-38.13,;30.08,-38.15,;31.41,-38.91,)|
BDBM50303231 CCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-9.87,-15.85,;-8.54,-16.62,;-7.21,-15.85,;-7.2,-14.3,;-5.88,-13.53,;-4.54,-14.3,;-4.54,-15.85,;-3.2,-16.61,;-1.87,-15.84,;-1.88,-14.31,;-.55,-13.53,;.79,-14.3,;2.12,-13.53,;3.45,-14.29,;4.77,-13.52,;4.76,-11.99,;3.42,-11.22,;6.09,-11.21,;7.43,-11.97,;7.44,-13.51,;6.11,-14.29,;6.11,-15.83,;3.45,-15.84,;4.79,-16.61,;2.12,-16.61,;2.12,-18.15,;.79,-15.84,;-.54,-16.61,;-5.87,-16.62,)|
BDBM50303232 Cn1c2nc(Nc3cccc(COCC(O)CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(27.07,-18.27,;27.07,-16.73,;25.74,-15.96,;24.41,-16.73,;23.08,-15.96,;21.75,-16.73,;20.42,-15.96,;20.41,-14.41,;19.08,-13.65,;17.75,-14.42,;17.74,-15.96,;16.41,-16.73,;15.08,-15.96,;13.74,-16.73,;12.41,-15.96,;12.41,-14.42,;11.08,-16.73,;9.74,-15.96,;19.08,-16.74,;23.07,-14.42,;24.4,-13.65,;25.74,-14.42,;27.07,-13.65,;28.4,-14.41,;29.72,-13.64,;29.71,-12.1,;28.37,-11.34,;31.04,-11.32,;32.38,-12.09,;32.39,-13.63,;31.06,-14.4,;31.06,-15.94,;28.41,-15.96,;29.74,-16.72,)|
BDBM50323436 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2CCCC[C@H]2C(O)=O)c1 |r|
BDBM50323437 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2CC=CC[C@H]2C(O)=O)c1 |r,c:32|
BDBM50323438 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
BDBM50303584 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(c1)[N+]([O-])=O
BDBM50303585 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(c1)[N+]([O-])=O
BDBM50303586 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(c1)[N+]([O-])=O
BDBM50303587 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
BDBM50303588 Cc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
BDBM50303589 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C
BDBM36464 CONC(=O)c1ccc(C)c(Nc2nc(NCc3cccc(C)c3)nc(NC(C)C(C)(C)C)n2)c1
BDBM36462 CONC(=O)c1ccc(C)c(Nc2nc(NCC3CCCC(CN)C3)nc(NC(C)C(C)(C)C)n2)c1
BDBM36463 CONC(=O)c1ccc(C)c(Nc2nc(NCC3CCCC(CN)C3)nc(NC3CCCCC3)n2)c1
BDBM36472 CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(NCC(C)C)nc(n1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
BDBM36473 CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
BDBM36474 CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
BDBM36475 CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
BDBM36476 CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
BDBM50303221 Cn1c2nc(Nc3ccc(I)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.42,-5.46,;2.42,-3.92,;1.09,-3.15,;-.24,-3.92,;-1.56,-3.15,;-2.9,-3.92,;-4.23,-3.15,;-5.57,-3.93,;-6.9,-3.15,;-6.9,-1.61,;-8.24,-.84,;-5.57,-.84,;-4.24,-1.6,;-1.58,-1.61,;-.25,-.84,;1.09,-1.61,;2.42,-.84,;3.75,-1.6,;5.07,-.83,;5.07,.71,;3.73,1.47,;6.39,1.49,;7.74,.72,;7.74,-.82,;6.41,-1.59,;6.42,-3.13,;3.76,-3.15,;5.09,-3.91,)|
BDBM50303222 Cn1c2nc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(23.87,-44.74,;23.87,-43.2,;22.54,-42.43,;21.22,-43.2,;19.89,-42.43,;18.55,-43.21,;17.22,-42.44,;15.88,-43.21,;14.55,-42.44,;14.55,-40.9,;13.22,-40.13,;13.22,-38.59,;14.55,-37.82,;14.56,-36.29,;15.89,-35.52,;15.9,-33.98,;13.23,-35.51,;13.23,-33.97,;11.89,-36.28,;10.56,-35.5,;11.88,-37.82,;10.55,-38.59,;15.88,-40.12,;17.21,-40.89,;19.87,-40.9,;21.2,-40.12,;22.55,-40.89,;23.87,-40.12,;25.2,-40.88,;26.52,-40.11,;26.52,-38.58,;25.18,-37.82,;27.84,-37.8,;29.19,-38.56,;29.19,-40.11,;27.86,-40.88,;27.87,-42.42,;25.21,-42.43,;26.54,-43.2,)|
BDBM50303223 Cn1c2nc(Nc3ccc(CCO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(25.94,-17.71,;25.94,-16.17,;24.6,-15.4,;23.28,-16.18,;21.95,-15.41,;20.62,-16.18,;19.28,-15.41,;17.94,-16.18,;16.61,-15.41,;16.61,-13.87,;15.28,-13.1,;15.28,-11.56,;13.94,-10.79,;17.94,-13.1,;19.27,-13.86,;21.94,-13.87,;23.26,-13.1,;24.61,-13.86,;25.93,-13.09,;27.26,-13.86,;28.59,-13.08,;28.58,-11.55,;27.24,-10.79,;29.9,-10.77,;31.25,-11.54,;31.25,-13.08,;29.92,-13.85,;29.93,-15.39,;27.27,-15.4,;28.6,-16.17,)|
BDBM50323412 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CN)c1
BDBM50323413 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CN)c1
BDBM50323414 COC(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50323415 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC=O)c1
BDBM50323416 CC(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50323417 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2ccccc2)c1
BDBM50323418 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2cccnc2)c1
BDBM50323419 Cc1cc(no1)C(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50323420 CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2ccco2)c1
BDBM50323421 CC(NC(C)=O)C(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50299081 Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
BDBM50303233 Cn1c2nc(Nc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(1.69,-30.93,;1.69,-29.39,;.36,-28.62,;-.97,-29.39,;-2.3,-28.62,;-3.63,-29.39,;-4.96,-28.63,;-4.97,-27.08,;-6.3,-26.31,;-7.63,-27.08,;-7.63,-28.63,;-8.97,-29.4,;-6.3,-29.4,;-2.31,-27.09,;-.98,-26.31,;.36,-27.08,;1.69,-26.31,;3.02,-27.07,;4.34,-26.3,;4.33,-24.76,;3,-24,;5.66,-23.99,;7,-24.75,;7.01,-26.29,;5.68,-27.07,;5.68,-28.61,;3.03,-28.62,;4.36,-29.39,)|
BDBM50303234 CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(11.58,-29.56,;12.91,-28.79,;12.92,-27.25,;14.25,-29.56,;15.58,-28.79,;15.58,-27.25,;16.91,-26.47,;18.25,-27.24,;18.25,-28.79,;19.59,-29.56,;20.92,-28.78,;20.91,-27.25,;22.24,-26.47,;23.58,-27.24,;24.91,-26.47,;26.24,-27.23,;27.56,-26.46,;27.55,-24.93,;26.21,-24.17,;28.88,-24.15,;30.22,-24.91,;30.23,-26.46,;28.9,-27.23,;28.9,-28.77,;26.24,-28.78,;27.58,-29.55,;24.91,-29.55,;24.91,-31.09,;23.58,-28.78,;22.25,-29.55,;16.92,-29.56,)|
BDBM50173606 CCc1nc(c(s1)-c1ccnc(NC(=O)C2CCCCC2)c1)-c1cccc(C)c1
BDBM50173607 CCCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
BDBM50173608 CCc1nc(c(s1)-c1ccnc(NC(C)=O)c1)-c1cccc(C)c1
BDBM50173609 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
BDBM50173610 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1ccc(OC)cc1
BDBM50252592 COc1ccc(CNc2nccc(n2)-c2ncn(Cc3cccc(c3)C#N)c2-c2ccc(F)cc2)cc1
BDBM50252593 Nc1nccc(n1)-c1ncn(Cc2cccc(c2)C#N)c1-c1ccc(F)cc1
BDBM50252594 C[C@H](Nc1nccc(n1)-c1ncn(Cc2cccc(c2)C#N)c1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50252595 Fc1ccc(cc1)-c1c(ncn1Cc1cccc(c1)C#N)-c1ccnc(NC2CC2)n1
BDBM50252613 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(F)c1
BDBM50252614 CCSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(F)c1
BDBM50252615 Fc1cc(ccn1)-c1nc(SCc2ccccc2)[nH]c1-c1cccc(c1)C(F)(F)F
BDBM50252648 COc1nccc(n1)-c1ncn(Cc2cccc(c2)C#N)c1-c1ccc(F)cc1
BDBM50252649 C[C@H](Nc1nccc(n1)-c1ncn(Cc2ccc(cc2)C#N)c1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50264913 Cc1ccc(cc1I)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50265289 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3cccnc3c2)CC1
BDBM50265290 Cc1noc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50132414 COc1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc2c1
BDBM50132415 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(CCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM50277627 COc1ccc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50251963 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccc(C)o2)c1
BDBM50251964 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccn2)c1
BDBM50251965 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2cccnc2)c1
BDBM50251966 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccncc2)c1
BDBM50278836 NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12 |r|
BDBM50252282 COc1nccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc(F)cc1
BDBM50252283 NC(=O)N(c1nc(cs1)-c1ccc(F)cc1)c1c(Cl)cccc1Cl
BDBM50300888 CC(C)c1onc(c1-c1ccnc(N[C@@H](C)c2ccccc2)c1)-c1ccc(F)cc1 |r|
BDBM50300889 CC(C)c1onc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50300890 CC(C)c1onc(c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccc(F)cc1
BDBM50300891 CC(C)c1onc(c1-c1ccnc(NC(=O)C(C)Oc2ccccc2)c1)-c1ccc(F)cc1
BDBM50300892 COc1ccc(\C=C\C(=O)Nc2cc(ccn2)-c2c(noc2C(C)C)-c2ccc(F)cc2)c(OC)c1
BDBM50300893 COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc([nH]c2-c2ccc(F)cc2)S(C)=O)c(OC)c1 |w:6.5|
BDBM50218677 COc1c(NC(=O)c2cc3ccccc3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50173626 Cc1cccc(c1)-c1nc(sc1-c1ccnc(NCCc2ccccc2)c1)-c1ccc(cc1)S(C)(=O)=O
BDBM50173627 CCc1nc(c(s1)-c1ccnc(NC(=O)Cc2ccccc2)c1)-c1cccc(C)c1
BDBM50173628 CCc1nc(c(s1)-c1ccncc1)-c1cccc(C)c1
BDBM50173629 CCc1nc(c(s1)-c1ccnc(NC2CCCC2)c1)-c1cccc(C)c1
BDBM50173630 Cc1cccc(c1)-c1nc(sc1-c1ccncc1)-c1ccc(cc1)S(C)(=O)=O
BDBM50173631 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(OC)c1
BDBM50173632 Cc1cccc(c1)-c1nc(sc1-c1ccnc(NC(=O)Cc2ccccc2)c1)-c1ccc(cc1)S(C)(=O)=O
BDBM50173633 CCc1nc(c(s1)-c1ccnc(NC(=O)CCc2ccccc2)c1)-c1cccc(C)c1
BDBM50173634 CCc1nc(c(s1)-c1ccnc(F)c1)-c1cccc(C)c1
BDBM50148656 CCc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(11.57,-4.8,;10.62,-3.57,;9.1,-3.78,;8.5,-5.22,;6.98,-5.41,;6.04,-4.19,;6.64,-2.75,;8.16,-2.56,;5.7,-1.54,;6.15,-.05,;4.87,.79,;4.36,2.23,;2.84,2.2,;2.4,.74,;3.65,-.12,;4.15,-1.57,;3.22,-2.8,;3.82,-4.22,;2.89,-5.46,;1.36,-5.25,;.77,-3.83,;-.76,-3.64,;-1.37,-2.22,;-.42,-.99,;1.1,-1.19,;1.7,-2.61,)|
BDBM50148657 CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1cccc(C)n1 |(-1.9,-4.25,;-2.4,-2.8,;-1.4,-1.64,;.1,-1.92,;1.12,-.75,;2.62,-1.05,;3.13,-2.5,;4.64,-2.8,;5.15,-4.25,;4.13,-5.41,;2.63,-5.13,;2.13,-3.67,;.61,-3.39,;5.65,-1.63,;5.15,-.17,;3.88,.71,;4.34,2.21,;5.87,2.21,;6.37,.76,;7.63,-.12,;7.18,-1.59,;8.18,-2.78,;7.64,-4.22,;8.62,-5.4,;10.14,-5.15,;10.68,-3.7,;12.19,-3.45,;9.7,-2.52,)|
BDBM50148658 COc1ccc(cc1)-c1c2CCCn2nc1-c1ccccn1
BDBM50148659 CCS(=O)(=O)c1ccc2c(ccnc2c1)-c1c(nn2CCCc12)-c1ccccn1 |(-1.2,-3.92,;-1.69,-2.45,;-.67,-1.31,;-1.16,.14,;-.2,-2.78,;.82,-1.63,;1.85,-.47,;3.35,-.78,;3.84,-2.24,;5.34,-2.56,;5.83,-4.03,;4.8,-5.17,;3.3,-4.86,;2.82,-3.4,;1.31,-3.08,;6.38,-1.4,;7.9,-1.4,;8.36,.07,;7.12,.97,;6.64,2.41,;5.12,2.44,;4.64,.97,;5.89,.06,;8.88,-2.59,;8.32,-4.03,;9.27,-5.22,;10.81,-4.98,;11.37,-3.55,;10.39,-2.36,)|
BDBM50148661 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(10.94,-4.02,;9.4,-4.18,;8.78,-5.62,;7.25,-5.76,;6.34,-4.52,;6.97,-3.11,;8.49,-2.94,;6.06,-1.86,;6.53,-.4,;5.29,.49,;4.81,1.95,;3.29,1.95,;2.8,.5,;4.04,-.4,;4.5,-1.86,;3.55,-3.06,;4.11,-4.5,;3.15,-5.71,;1.63,-5.48,;1.07,-4.04,;-.46,-3.81,;-1.02,-2.36,;-.06,-1.16,;1.45,-1.4,;2.03,-2.83,)|
BDBM50148662 COc1ccc(cc1)-c1c2CCCn2nc1-c1cccc(C)n1
BDBM50148663 Cc1ccc(cc1)-c1c2CCCn2nc1-c1cccc(C)n1
BDBM50148664 OCc1cccc(n1)-c1nn2CCCc2c1-c1ccc(F)cc1
BDBM50148665 CC(C)c1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(11.23,-4.96,;10.3,-3.73,;10.9,-2.31,;8.78,-3.92,;8.18,-5.36,;6.64,-5.57,;5.71,-4.32,;6.32,-2.91,;7.85,-2.71,;5.38,-1.68,;5.83,-.21,;4.55,.67,;4.06,2.11,;2.54,2.09,;2.08,.62,;3.34,-.26,;3.84,-1.71,;2.9,-2.93,;3.49,-4.36,;2.55,-5.57,;1.03,-5.38,;.44,-3.94,;-1.09,-3.76,;-1.68,-2.33,;-.74,-1.1,;.78,-1.3,;1.37,-2.73,)|
BDBM50148666 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2cc(Cl)ccc12 |(11.77,-3.83,;10.24,-4.04,;9.66,-5.47,;8.12,-5.67,;7.17,-4.46,;7.75,-3.03,;9.29,-2.82,;6.81,-1.82,;7.31,-.36,;6.07,.58,;5.62,2.03,;4.09,2.08,;3.58,.61,;4.81,-.31,;5.28,-1.8,;4.23,-2.92,;4.67,-4.41,;3.64,-5.54,;2.13,-5.19,;1.68,-3.72,;.17,-3.37,;-.28,-1.9,;-1.79,-1.55,;.77,-.77,;2.26,-1.1,;2.71,-2.59,)|
BDBM50148667 Fc1ccc(cc1)-c1c2CCCn2nc1-c1cccc(n1)C(F)(F)F
BDBM50148668 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc(O)cc1
BDBM50148669 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc(F)cc1
BDBM50194934 CC(=O)N1CCN(CC1)c1c(c(c(C#N)n1C)-c1ccc(F)cc1)-c1ccncc1
BDBM50293521 Cc1cccc(n1)-c1nc(Nc2ccc3n(C)ncc3c2)c2ccccc2n1
BDBM50293522 Cc1cccc(n1)-c1nc(Nc2ccc3ncsc3c2)c2ccccc2n1
BDBM50265259 Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)NC1CC1
BDBM50265260 Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50135309 Cc1ccccc1N1C(=O)NCc2nc(Sc3ccc(F)cc3Cl)ccc12
BDBM50135310 Clc1cccc(Cl)c1N1C(=O)NCc2nc(NCc3ccccc3)ccc12
BDBM50241354 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50265368 Cc1ccc(cc1-c1ccc2c(N)noc2c1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50315951 CC(C)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1
BDBM50315952 OC1CCC(CC1)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1 |(35.6,4.66,;34.26,3.89,;34.26,2.35,;32.93,1.58,;31.59,2.35,;31.59,3.89,;32.93,4.66,;30.26,1.58,;30.26,.04,;28.94,-.73,;28.93,-2.28,;30.27,-3.05,;31.6,-2.27,;31.6,-.72,;32.94,-3.04,;34.27,-2.27,;35.61,-3.04,;35.6,-4.57,;36.93,-5.34,;38.27,-4.58,;38.27,-3.03,;36.93,-2.26,;32.94,-4.58,;34.28,-5.35,;31.61,-5.35,;31.62,-6.88,;30.3,-7.66,;28.95,-6.9,;27.48,-7.37,;26.57,-6.13,;27.48,-4.88,;28.95,-5.35,;30.28,-4.58,)|
BDBM50315953 NC1CCC(CC1)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1 |(.64,-10.63,;-.7,-11.4,;-.7,-12.94,;-2.03,-13.71,;-3.37,-12.94,;-3.37,-11.4,;-2.03,-10.63,;-4.7,-13.71,;-4.69,-15.25,;-6.02,-16.02,;-6.02,-17.57,;-4.69,-18.34,;-3.35,-17.57,;-3.36,-16.02,;-2.02,-18.33,;-.69,-17.56,;.65,-18.33,;.64,-19.87,;1.97,-20.63,;3.31,-19.87,;3.31,-18.33,;1.97,-17.55,;-2.02,-19.87,;-.68,-20.64,;-3.35,-20.65,;-3.34,-22.18,;-4.66,-22.95,;-6.01,-22.19,;-7.48,-22.67,;-8.39,-21.42,;-7.48,-20.17,;-6.01,-20.64,;-4.68,-19.87,)|
BDBM50315954 COC[C@H](C)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1 |r|
BDBM50259532 NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
BDBM50315941 COCCN(C(=O)c1ccc2OCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
BDBM50315942 C[C@H](Nc1nccc(n1)N(CC1CCOCC1)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315943 C[C@H](Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315944 C[C@H](Nc1nccc(n1)N(CC1CCCNC1)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315945 C[C@H](Nc1nccc(n1)N(CC1CCCCN1)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315946 C[C@H](Nc1nccc(n1)N(CC1CCN(CC1)C(N)=O)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315947 C[C@H](Nc1nccc(n1)N(CC1CCN(CC1)S(N)(=O)=O)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315948 C[C@H](Nc1nccc(n1)N(CCCN)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315949 C[C@H](Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50315950 C[C@H](Nc1nccc(n1)N(CCCCO)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
BDBM50263259 Cc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263260 Cc1ccc(C)n1-c1cccc(c1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50105741 CC1(C)CC(CC(C)(C)N1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
BDBM50105742 COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
BDBM50105743 Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccccc2)CC1)-c1ccc(F)cc1
BDBM50253500 COC(=O)CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)c2ccccc2)c1
BDBM50253501 CC(Nc1cc(ccn1)-c1nc(SCC(O)=O)[nH]c1-c1ccc(F)cc1)c1ccccc1
BDBM50253502 CCOP(=O)(CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)c2ccccc2)c1)OCC
BDBM50253503 COC(=O)CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)C)c1
BDBM50304026 Cc1cc2nc(-c3ccncc3)c(nc2cc1C)-c1ccc(F)cc1
BDBM50304027 COc1ccc2nc(-c3ccncc3)c(nc2c1)-c1ccc(F)cc1
BDBM50304028 CC(C)C(C)Nc1cc(ccn1)-c1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(F)cc1
BDBM50304029 CC(C)CNc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1
BDBM50263295 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1cccc(c1)C(C)(C)C
BDBM50263296 Cc1ccc(cc1-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N)C(=O)Nc1cccc(c1)-c1ccccn1
BDBM50263308 CCNC(=O)c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
BDBM50326198 CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50305701 COC(=O)c1cccc(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305702 OC(=O)c1cccc(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50327410 CC[C@@H](C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl |r|
BDBM50327411 CC(C)Nc1ncc(s1)-c1cc(ncn1)-c1ccccc1Cl
BDBM50327412 CC(C)Nc1ncc(s1)-c1cc(nc(N)n1)-c1ccccc1Cl
BDBM50327413 CC(C)Nc1ncc(s1)-c1cc(nc(n1)N(C)C)-c1ccccc1Cl
BDBM50327414 CC(C)Nc1ncc(s1)-c1cc(nc(NCCO)n1)-c1ccccc1Cl
BDBM50327415 CC(C)Nc1ncc(s1)-c1cc(nc(NCC(O)CO)n1)-c1ccccc1Cl
BDBM50327416 CNC(=O)NCc1ccccc1-c1cc(nc(NCCN(C)C)n1)-c1cnc(NC(C)C)s1
BDBM50327417 CCNC(=O)NCc1ccccc1-c1cc(nc(NCCN(C)C)n1)-c1cnc(NC(C)C)s1
BDBM50327418 CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1CNC(=O)NC1CC1
BDBM50326903 Cn1c2c(nncc2cc(Nc2ccc(F)cc2)c1=O)-c1ccc(F)cc1F
BDBM50326904 Cn1c2c(nncc2cc(Nc2ccc(F)cc2F)c1=O)-c1ccc(F)cc1F
BDBM50326905 Cn1c2c(nncc2cc(Nc2ccc(F)cn2)c1=O)-c1ccc(F)cc1F
BDBM50327912 O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
BDBM50328755 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
BDBM50328756 Cn1[nH]c(=O)n(Cc2cccc(c2)-n2nc(cc2NC(=O)Nc2cccc3ccccc23)C(C)(C)C)c1=O
BDBM50328757 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CN2NC(=O)C(C)(C)C2=O)c1
BDBM50328758 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CNS(=O)(=O)NC(=O)N2CCCC2)c1
BDBM50328759 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CCN)c1
BDBM50328760 CNC(=O)CNC(=O)CNC(=O)c1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50328761 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(c1)C(=O)N1[C@H](COC1=O)c1ccccc1 |r|
BDBM50328762 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CC(=O)N2CCOCC2)c1
BDBM50328763 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CC(N)=O)c1
BDBM50328764 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccc(CN2CCS(=O)(=O)CC2)cc1
BDBM50328765 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1ccc(CN)cc1
BDBM50328766 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccc(CO)cc1
BDBM50328767 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccc(CCC(O)=O)cc1
BDBM50328768 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(CC(=O)N2CCS(=O)(=O)CC2)cc1
BDBM50305699 Cc1cc(ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12)C(O)CO
BDBM50305700 Cc1cc(CNCCO)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50338262 Brc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nnc[nH]1
BDBM50338263 Clc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nnc[nH]1
BDBM50338264 O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1
BDBM50338265 Brc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
BDBM50338266 Clc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
BDBM50338267 O=C(Cc1cccc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1
BDBM50338284 Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1
BDBM50338285 Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1
BDBM50338286 Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
BDBM50338287 Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
BDBM50338288 Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
BDBM50338289 Cc1nnc([nH]1)-c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
BDBM50338290 Cc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
BDBM50338291 Brc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
BDBM50338292 Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
BDBM50338293 O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1nnc[nH]1
BDBM50305691 CC(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305692 CC(C)(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305693 CC1(CC1)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305694 CC(C)(CC=C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305695 CC(C)(CC(O)CO)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305696 Fc1ccc(Sc2ccc3nnc(-c4ccc(F)cc4F)n3c2)c(F)c1
BDBM50305697 Cc1cc(Br)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50305698 Cc1cc(C=C)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12
BDBM50253942 CC(C)C(C)Nc1cc(ccn1)-c1nc(SC[C@H](O)CO)[nH]c1-c1ccc(F)cc1 |r|
BDBM50253943 CC(C)C(C)Nc1cc(ccn1)-c1nc(SC[C@@H](O)CO)[nH]c1-c1ccc(F)cc1 |r|
BDBM50253944 CC(C)Nc1cc(ccn1)-c1nc(SC[C@H](O)CO)[nH]c1-c1ccc(F)cc1 |r|
BDBM50253945 CC(C)Nc1cc(ccn1)-c1nc(SC[C@@H](O)CO)[nH]c1-c1ccc(F)cc1 |r|
BDBM50253946 CC(C)C(C)Nc1cc(ccn1)-c1nc(SCCCO)[nH]c1-c1ccc(F)cc1
BDBM50326906 Cn1c2c(nncc2cc(Nc2ncc(F)cc2F)c1=O)-c1ccc(F)cc1F
BDBM50326907 CN(c1ccc(F)cc1)c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
BDBM50326908 Cn1c2c(nncc2cc(Oc2ccc(F)cc2)c1=O)-c1ccc(F)cc1F
BDBM50326909 Cn1c2c(nncc2cc(Oc2ccc(F)cc2F)c1=O)-c1ccc(F)cc1F
BDBM50326910 Cn1c2c(nncc2cc(Cc2ccc(F)cc2)c1=O)-c1ccc(F)cc1F
BDBM50326911 Cn1c2c(nncc2cc(Cc2ccc(F)cc2F)c1=O)-c1ccc(F)cc1F
BDBM50326912 Cc1ccc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(O)=O
BDBM50326913 Cc1ccc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(N)=O
BDBM50326914 CNC(=O)c1ccc(C)c(c1)-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
BDBM50326915 Cc1ccc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50326916 Cc1ccc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1(C)CC1
BDBM50326917 Cc1c(F)cc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50326918 Cn1c2c(nncc2cc(-c2cc(ccc2Cl)C(=O)NC2CC2)c1=O)-c1ccc(F)cc1F
BDBM50326919 Cc1cnc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50326920 Cc1ccccc1-c1nncc2cc(-c3cc(ncc3C)C(=O)NC3CC3)c(=O)n(C)c12
BDBM50326921 Cc1cnc(cc1-c1cc2cnnc(-c3ccccc3Cl)c2n(C)c1=O)C(=O)NC1CC1
BDBM50326922 Cc1cnc(cc1-c1cc2cnnc(-c3ccccc3C(F)(F)F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50326923 Cc1cnc(cc1-c1cc2cnnc(-c3ccc(F)cc3C)c2n(C)c1=O)C(=O)NC1CC1
BDBM50326924 Cc1cnc(cc1-c1cc2cnnc(-c3ccc(cc3F)C(F)(F)F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50326925 Cc1cnc(cc1-c1cc2cnnc(-c3cc(F)ccc3Cl)c2n(C)c1=O)C(=O)NC1CC1
BDBM50327390 CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
BDBM50327391 CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl
BDBM50327392 CC(C)Nc1ncc(s1)-c1ccnc(n1)-c1ccccc1Cl
BDBM50327393 CCCNc1ncc(s1)-c1cc(nc(N)n1)-c1ccccc1F
BDBM50327394 CCCNc1ncc(s1)-c1cc(nc(C)n1)-c1ccccc1F
BDBM50327395 CCCNc1ncc(s1)-c1cc(nc(n1)C1CC1)-c1ccccc1F
BDBM50327396 CCCNc1ncc(s1)-c1ccnc(n1)-c1ccccc1F
BDBM50327397 CCCNc1ncc(s1)-c1ccnc(n1)C1CC1
BDBM50327398 CCCNc1ncc(s1)-c1ccnc(n1)-c1ccccn1
BDBM50327399 CCCNc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccc(F)cc1
BDBM50327400 CCCNc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1F
BDBM50327401 CCCNc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
BDBM50327402 CCCNc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1OCC
BDBM50327403 CCCNc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccc(F)cc1Cl
BDBM50327404 CCCNc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccc(OCC)cc1Cl
BDBM50327405 Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
BDBM50327406 CCNc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
BDBM50327407 Clc1ccccc1-c1cc(nc(n1)-c1ccccn1)-c1cnc(NC2CC2)s1
BDBM50327408 Clc1ccccc1-c1cc(nc(n1)-c1ccccn1)-c1cnc(NC2CCC2)s1
BDBM50327409 CC[C@H](C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl |r|
BDBM50328769 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CC(N)=O)c1
BDBM50328770 NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccccc1
BDBM50328771 NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccccc1F
BDBM50328772 NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1cccs1
BDBM50328773 NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccsc1
BDBM50328774 NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C1CCCC1
BDBM50339608 CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
BDBM50339609 CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
BDBM69530 Nc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
BDBM50335374 COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
BDBM50342218 COc1ccnc2ccc(cc12)-c1cn(CC(=O)Nc2ccccc2)nc1-c1cccc(C)n1
BDBM50342219 COc1ccnc2ccc(cc12)-c1cn(CC(=O)Nc2cccc(c2)C#N)nc1-c1cccc(C)n1
BDBM50342220 Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C(N)=O)cc1-c1ccc2ncccc2c1
BDBM50342221 Cc1cccc(n1)-c1c(cnn1CC(=O)Nc1ccccc1)-c1ccc2ncccc2c1
BDBM50342222 Cc1cccc(n1)-c1c(cnn1CC(=O)Nc1cccc(c1)C#N)-c1ccc2ncccc2c1
BDBM50342223 COc1ccnc2ccc(cc12)-c1cnn(CC(=O)Nc2ccccc2)c1-c1cccc(C)n1
BDBM50342224 COc1ccnc2ccc(cc12)-c1cnn(CC(=O)Nc2cccc(c2)C#N)c1-c1cccc(C)n1
BDBM50342225 Cc1cccc(n1)-c1c(cnn1CC(=O)Nc1cccc(c1)C(N)=O)-c1ccc2ncccc2c1
BDBM50342226 Cc1cccc(n1)-c1nn(CCC(=O)Nc2ccccc2)cc1-c1ccc2ncccc2c1
BDBM50342227 Cc1cccc(n1)-c1nn(CCC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
BDBM50342228 COc1ccnc2ccc(cc12)-c1cn(CCC(=O)Nc2cccc(c2)C#N)nc1-c1cccc(C)n1
BDBM50342229 Cc1cccc(n1)-c1nn(CC(=S)Nc2ccccc2)cc1-c1ccc2ncccc2c1
BDBM50342230 Cc1cccc(n1)-c1nn(CC(=S)Nc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
BDBM50342231 Cc1cccc(n1)-c1nn(CCC(=S)Nc2ccccc2)cc1-c1ccc2ncccc2c1
BDBM50342232 Cc1cccc(n1)-c1nn(CCC(=S)Nc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
BDBM50329427 NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
BDBM50331277 COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
BDBM50332040 COC(=O)c1sccc1NC(=O)Cc1cccs1
BDBM50332050 COC(=O)c1sccc1NC(=O)Cc1cccc2cnccc12
BDBM50330122 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCCO)-c1ccc(F)cc1
BDBM50330123 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CC(O)CO)-c1ccc(F)cc1
BDBM50330124 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C(CO)CO)-c1ccc(F)cc1
BDBM50330125 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C(CCO)CCO)-c1ccc(F)cc1
BDBM50330126 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCC(O)=O)-c1ccc(F)cc1
BDBM50330127 CCOC(=O)CCn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50330128 COC(=O)CCn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50330129 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCC(O)=O)-c1ccc(F)cc1
BDBM50330130 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCCC(O)=O)-c1ccc(F)cc1
BDBM50330131 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCC(=O)N1CCCC1)-c1ccc(F)cc1
BDBM50330132 CCN(CC)C(=O)CCn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50330133 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCC(=O)N1CCCCC1)-c1ccc(F)cc1
BDBM50330134 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCC(=O)N1CCOCC1)-c1ccc(F)cc1
BDBM50330135 CCN(CC)C(=O)Cn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50330136 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CC(=O)N1CCOCC1)-c1ccc(F)cc1
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50331627 CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(c2N)-c2ccccc2F)c1
BDBM50331628 Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccnn1C
BDBM50331629 Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
BDBM50331630 CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(c2N)-c2ccc(F)cc2)c1
BDBM50331631 Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(=O)Nc1ccon1
BDBM50331632 CCCCn1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2ccnn2C)c1N
BDBM50331633 CCCCn1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2ccon2)c1N
BDBM50331634 CNc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccon1
BDBM50331635 CCNC(=O)c1ccc(C)c(NC(=O)c2cnn(c2NCC)-c2ccccc2)c1
BDBM50331636 CCNc1c(cnn1-c1ccccn1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccon1
BDBM50331637 CCNc1c(cnn1-c1ccccc1C)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccon1
BDBM50341342 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341343 Cn1c2nc(NC(CO)CO)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341344 Cn1c2nc(NCCS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341345 Cn1c2nc(NC3CCOCC3)ncc2cc(-c2ccccc2Cl)c1=O
BDBM50341346 C[C@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r|
BDBM50341347 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccccc2)c1=O
BDBM50341348 C[C@@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r|
BDBM50341349 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2)c1=O
BDBM50341350 CC(=O)N1CCC(CC1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
BDBM50341351 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2cccc(F)c2)c1=O
BDBM50341352 Cn1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2cc(Oc2ccc(F)cc2F)c1=O |r,wU:9.9,wD:6.5,(28.23,-9.5,;28.24,-7.96,;26.92,-7.19,;25.59,-7.95,;24.26,-7.19,;22.93,-7.96,;22.93,-9.5,;21.59,-10.26,;21.58,-11.79,;22.9,-12.57,;22.89,-14.11,;24.24,-11.81,;24.25,-10.27,;24.26,-5.65,;25.59,-4.87,;26.92,-5.65,;28.25,-4.88,;29.58,-5.66,;30.92,-4.91,;32.25,-5.69,;32.22,-7.23,;33.55,-8.01,;34.89,-7.26,;36.22,-8.04,;34.9,-5.71,;33.58,-4.93,;33.59,-3.39,;29.58,-7.2,;30.91,-7.98,)|
BDBM50341353 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccccc2F)c1=O
BDBM50341354 Cn1c2nc(NC3CCS(=O)(=O)CC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341355 Cn1c2nc(NC3CCOCC3)ncc2cc(Sc2ccccc2F)c1=O
BDBM50341356 C[C@@H](Cn1ncnn1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r|
BDBM50341357 Cn1c2nc(NC3CCOCC3)ncc2cc(Cc2ccccc2F)c1=O
BDBM50329498 O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1
BDBM50329499 Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12
BDBM50341358 C[C@H](Cn1ncnn1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r|
BDBM50341359 Cn1c2nc(NC3CCOCC3)ncc2cc(Cc2ccc(F)cc2F)c1=O
BDBM50341360 Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3[nH]c2=O)c(F)c1
BDBM50341361 CCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341362 Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3n(C3CC3)c2=O)c(F)c1
BDBM50341363 OCCCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341364 CS(=O)(=O)CCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341365 CS(=O)(=O)CCCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341366 Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3n(C3CCS(=O)(=O)CC3)c2=O)c(F)c1
BDBM50341367 CC(C)(O)Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341368 OC[C@@H](O)Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O |r|
BDBM50341369 Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3n(CC#N)c2=O)c(F)c1
BDBM50341370 CS(=O)(=O)N1CCC(CC1)n1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341371 CNc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
BDBM50341372 CC(C)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
BDBM50341373 Cn1c2nc(N[C@H]3CCOC3)ncc2cc(Oc2ccc(F)cc2F)c1=O |r|
BDBM50341374 Cn1c2nc(NCC(C)(C)O)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341375 Cn1c2nc(NC(C)(C)CO)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341376 CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2c(Cl)cccc2Cl)cc1
BDBM50341377 O[C@H]1CC[C@@H](CC1)Nc1ncc2CN(C(=O)Nc2n1)c1ccccc1Cl |r,wU:1.0,wD:4.7,(-8.97,.99,;-7.64,.22,;-6.31,.99,;-4.97,.22,;-4.97,-1.32,;-6.31,-2.09,;-7.64,-1.32,;-3.64,-2.09,;-2.3,-1.32,;-2.3,.22,;-.97,.99,;.36,.22,;1.7,.99,;3.03,.22,;3.03,-1.32,;4.36,-2.09,;1.7,-2.09,;.36,-1.32,;-.97,-2.09,;4.36,.99,;4.36,2.53,;5.7,3.3,;7.03,2.53,;7.03,.99,;5.7,.22,;5.7,-1.32,)|
BDBM50330905 CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(24.13,-33.61,;24.13,-35.15,;22.8,-35.94,;22.81,-37.47,;23.89,-36.37,;25.47,-35.92,;25.48,-37.46,;24.14,-38.23,;24.15,-39.77,;22.82,-40.55,;22.83,-42.09,;21.5,-42.86,;24.16,-42.85,;25.5,-42.07,;26.83,-42.84,;25.49,-40.53,;24.17,-44.38,;22.84,-45.15,;22.84,-46.7,;24.17,-47.47,;25.51,-46.7,;26.98,-47.18,;27.89,-45.92,;26.98,-44.67,;25.51,-45.15,;29.43,-45.92,;30.2,-47.26,;31.74,-47.26,;32.51,-45.92,;31.73,-44.58,;30.2,-44.59,;27.46,-48.64,;28.96,-48.96,;29.44,-50.42,;28.41,-51.57,;26.9,-51.25,;25.65,-52.15,;24.41,-51.24,;24.9,-49.78,;26.43,-49.79,)|
BDBM50332065 COC(=O)c1[nH]ncc1NC(=O)Cc1cccc2ccccc12
BDBM50330137 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C1CCOCC1)-c1ccc(F)cc1
BDBM50330138 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |r,wU:17.18,wD:20.22,(52.11,-36.34,;51.33,-37.67,;49.79,-37.65,;48.9,-36.39,;47.43,-36.86,;47.41,-38.39,;46.08,-39.18,;44.74,-38.42,;43.42,-39.2,;43.44,-40.74,;44.79,-41.5,;44.81,-43.04,;46.15,-43.79,;47.48,-43,;46.18,-45.33,;46.11,-40.71,;48.92,-38.86,;49.33,-40.36,;50.83,-40.68,;51.28,-42.16,;50.24,-43.29,;50.69,-44.76,;48.74,-42.95,;48.28,-41.48,;46.2,-35.94,;44.86,-36.71,;43.53,-35.94,;43.53,-34.39,;42.2,-33.62,;44.86,-33.62,;46.19,-34.39,)|
BDBM50330139 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C1CCCCC1)-c1ccc(F)cc1
BDBM50330140 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C1CC1)-c1ccc(F)cc1
BDBM50330141 CCC(CC)n1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
BDBM50330142 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCl)-c1ccc(F)cc1
BDBM50330143 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCCl)-c1ccc(F)cc1
BDBM50330144 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCCCl)-c1ccc(F)cc1
BDBM50330145 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCBr)-c1ccc(F)cc1
BDBM50331612 COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
BDBM50331619 CNC(=O)c1ccc(C)c(Nc2ncnc3n(ncc23)-c2ccccc2)c1
BDBM50331620 CNC(=O)c1ccc(C)c(NC(=O)c2cnn(c2N)-c2ccccc2)c1
BDBM50331621 CCNC(=O)c1ccc(C)c(NC(=O)c2cnn(c2N)-c2ccccc2)c1
BDBM50331622 Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)NC1CC1
BDBM50331623 Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)Nc1ccnn1C
BDBM50331624 CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(c2N)-c2ccccc2)c1
BDBM50331625 Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)Nc1ccon1
BDBM50331626 Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccn1)C(=O)Nc1ccon1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50341519 CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
BDBM50332079 COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1
BDBM50332080 COc1ccc(CC(=O)Nc2ccsc2-c2nnc(N)[nH]2)cc1
BDBM50332081 COc1ccc(CC(=O)Nc2ccsc2-c2cn(C)cn2)cc1
BDBM50332083 COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]c(C)n2)cc1
BDBM50332084 COc1ccc(CC(=O)Nc2ccsc2-c2cnccn2)cc1
BDBM50332086 O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
BDBM50332087 COC(=O)c1ncsc1NC(=O)Cc1cccc2cnccc12
BDBM50332088 O=C(Cc1cccc2cnccc12)Nc1scnc1-c1nnc[nH]1
BDBM50332089 Cn1ncnc1-c1ncsc1NC(=O)Cc1cccc2cnccc12
BDBM50332090 O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1
BDBM50332091 O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
BDBM50330146 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCF)-c1ccc(F)cc1
BDBM50330147 CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1CCCI)-c1ccc(F)cc1
BDBM50330148 COCCn1c(SC)nc(c1-c1ccnc(NC(=O)C=C)c1)-c1ccc(F)cc1
BDBM50330149 CCC(=O)Nc1cc(ccn1)-c1c(nc(SC)n1CCOC)-c1ccc(F)cc1
BDBM50330150 COCCn1c(SC)nc(c1-c1ccnc(NC(=O)CC(F)(F)F)c1)-c1ccc(F)cc1
BDBM50330151 COCCn1c(SC)nc(c1-c1ccnc(NC(=O)c2cccs2)c1)-c1ccc(F)cc1
BDBM50330152 CCn1c(SC)nc(c1-c1ccnc(NC(=O)\C=C\c2c(Cl)cccc2Cl)c1)-c1ccc(F)cc1
BDBM50330153 CCn1c(SC)nc(c1-c1ccnc(NC(=O)\C=C\c2ccc(OC)cc2OC)c1)-c1ccc(F)cc1
BDBM50330154 CCn1c(SC)nc(c1-c1ccnc(NC(=O)\C=C\c2ccc(OC)cc2)c1)-c1ccc(F)cc1
BDBM50330155 CCn1c(SC)nc(c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccc(F)cc1
BDBM50330156 CSc1nc(c(-c2ccnc(NC(=O)\C=C\c3c(Cl)cccc3Cl)c2)n1C)-c1ccc(F)cc1
BDBM50330157 COc1ccc(\C=C\C(=O)Nc2cc(ccn2)-c2c(nc(SC)n2C)-c2ccc(F)cc2)c(OC)c1
BDBM50330158 COc1ccc(\C=C\C(=O)Nc2cc(ccn2)-c2c(nc(SC)n2C)-c2ccc(F)cc2)cc1
BDBM50330159 CSc1nc(c(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)n1C)-c1ccc(F)cc1
BDBM50330160 CSc1nc(c(-c2ccnc(NC(=O)Cc3ccc(Cl)cc3)c2)n1C)-c1ccc(F)cc1
BDBM50330161 CSc1nc(c(-c2ccnc(NC(=O)C3CC3)c2)n1C)-c1ccc(F)cc1
BDBM50330162 CSc1nc(c(-c2ccnc(NC(=O)C3CCCC3)c2)n1C)-c1ccc(F)cc1
BDBM50330163 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)C=Cc2ccc(C)cc2)c1 |w:22.23|
BDBM50330164 COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc(SC)[nH]c2-c2ccc(F)cc2)cc1 |w:7.7|
BDBM50330165 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)C=Cc2c(Cl)cccc2Cl)c1 |w:22.23|
BDBM50330166 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)C(F)=Cc2ccccc2)c1 |w:24.26|
BDBM50330167 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
BDBM50330168 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)c2ccc(C)c(F)c2)c1
BDBM50330169 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)COc2ccc(Cl)cc2)c1
BDBM50330170 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)COc2ccc(Cl)cc2Cl)c1
BDBM50330171 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)COc2cccc(Cl)c2Cl)c1
BDBM50330172 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)c2cc3ccccc3o2)c1
BDBM50330173 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)C2=Cc3ccccc3OC2)c1 |t:24|
BDBM50330174 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
BDBM50330175 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)CCc2ccc(cc2)C(C)(C)C)c1
BDBM50330176 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)c2ccco2)c1
BDBM50330177 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(=O)c2ccc(cc2)-c2ccccc2)c1
BDBM50342216 Cc1cccc(n1)-c1nn(CC(=O)Nc2ccccc2)cc1-c1ccc2ncccc2c1
BDBM50342217 Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
BDBM50295553 OCCC#Cc1nc(c(-c2ccncc2)n1CCCc1ccccc1)-c1ccc(F)cc1
BDBM50297457 Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=C)c2OCOCc2c1
BDBM50297459 Fc1cc(CN2C(=O)C(N=O)c3c2cccc3Br)c2OCOCc2c1
BDBM50297461 Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=Cc2ccccc2)c2OCOCc2c1 |w:17.18|
BDBM50297484 Fc1ccc(cc1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
BDBM50322414 O[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1[nH]c(=O)[nH]c1-c1ccc(F)cc1 |r,wU:4.7,wD:1.0,(-1.61,-9.61,;-2.93,-8.81,;-2.9,-7.27,;-4.22,-6.47,;-5.56,-7.23,;-5.59,-8.77,;-4.28,-9.56,;-6.88,-6.44,;-6.85,-4.9,;-5.51,-4.15,;-5.49,-2.62,;-6.8,-1.82,;-8.15,-2.57,;-8.18,-4.11,;-4.14,-1.88,;-2.66,-2.31,;-1.8,-1.03,;-.26,-.98,;-2.74,.18,;-4.19,-.34,;-5.46,.52,;-6.8,-.25,;-8.13,.52,;-8.13,2.06,;-9.46,2.83,;-6.8,2.83,;-5.47,2.07,)|
BDBM50322415 CC(C)[C@H](C)Nc1cc(ccn1)-c1[nH]c(=O)[nH]c1-c1ccc(F)cc1 |r|
BDBM50322416 C[C@@H](Nc1cc(ccn1)-c1[nH]c(=O)[nH]c1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50322417 Fc1ccc(cc1)-c1[nH]c(=O)[nH]c1-c1ccncc1
BDBM50251967 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NCC(C)c2ccccc2)c1
BDBM50251968 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC(C)CCc2ccccc2)c1
BDBM50251969 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NCc2cccs2)c1
BDBM50251970 CSc1nc(c([nH]1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NCc2ccco2)c1
BDBM50251981 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CO)c1
BDBM50251982 CCC(CO)Nc1cc(ccn1)-c1nc(SC)[nH]c1-c1ccc(F)cc1
BDBM50251983 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(CO)C(C)C)c1
BDBM50251984 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCCO)c1
BDBM50251985 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCOCC2)c1
BDBM50251986 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(OCc2cccs2)c1
BDBM50251987 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(OCC2CCCO2)c1
BDBM50299083 CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
BDBM50262025 COc1ccc(cc1-c1n[nH]c2nc(Nc3ccc(F)cc3F)ccc12)C(=O)NN1CCOCC1
BDBM50304016 CC(C)Nc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1
BDBM50304017 Cc1cc2nc(-c3ccc(F)cc3)c(nc2cc1C)-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:28.31,wD:25.27,(21.78,-26.56,;20.45,-27.33,;19.11,-26.57,;17.78,-27.34,;16.45,-26.57,;15.12,-27.34,;13.78,-26.57,;13.78,-25.03,;12.45,-24.26,;11.11,-25.03,;9.78,-24.26,;11.12,-26.58,;12.45,-27.34,;15.12,-28.89,;16.45,-29.65,;17.78,-28.88,;19.11,-29.66,;20.45,-28.88,;21.79,-29.65,;13.79,-29.66,;12.46,-28.89,;11.12,-29.67,;11.13,-31.21,;12.47,-31.97,;12.48,-33.51,;11.15,-34.29,;9.82,-33.53,;8.5,-34.3,;8.5,-35.84,;7.17,-36.61,;9.84,-36.6,;11.17,-35.83,;13.8,-31.2,)|
BDBM50304018 O[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(23.82,-36.78,;25.15,-36.01,;25.15,-34.47,;26.47,-33.7,;27.8,-34.46,;27.82,-36,;26.49,-36.78,;29.13,-33.68,;29.12,-32.15,;30.45,-31.37,;30.44,-29.84,;29.11,-29.07,;27.77,-29.84,;27.78,-31.38,;31.77,-29.06,;33.1,-29.82,;34.43,-29.06,;35.76,-29.83,;37.1,-29.06,;38.43,-29.82,;37.09,-27.51,;38.42,-26.73,;35.76,-26.74,;34.43,-27.52,;33.1,-26.75,;31.77,-27.51,;30.43,-26.75,;30.43,-25.2,;29.1,-24.43,;27.76,-25.2,;26.43,-24.44,;27.77,-26.75,;29.1,-27.51,)|
BDBM50304019 C[C@@H](Nc1cc(ccn1)-c1nc2ccccc2nc1-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50304020 CC(C)C(C)Nc1cc(ccn1)-c1nc2cc(C)c(C)cc2nc1-c1ccc(F)cc1
BDBM50304021 CCC(C)Nc1cc(ccn1)-c1nc2cc(C)c(C)cc2nc1-c1ccc(F)cc1
BDBM50304022 Cc1cc2nc(-c3ccc(F)cc3)c(nc2cc1C)-c1ccnc(NCc2ccccc2)c1
BDBM50326999 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NCC)c2c1C
BDBM50327000 CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r|
BDBM50327001 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC)c2c1C
BDBM50327002 CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NCCC)c2c1C
BDBM50327003 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC(C)C)c2c1C
BDBM50327180 Cc1ccc(cc1C(=O)NCC#N)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327181 Cc1ccc(cc1C(=O)NCc1ccncc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327182 CCN(CCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50251990 COCCn1c(SC)nc(c1-c1ccnc(N[C@@H](C)c2ccccc2)c1)-c1ccc(F)cc1 |r|
BDBM50327004 CCCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCC)c(C)c23)c1
BDBM50327005 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NCCOC)c2c1C
BDBM50327006 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C
BDBM50327007 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CCC3)c2c1C
BDBM50327008 CNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C
BDBM50327009 CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C
BDBM50327010 CCCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C
BDBM50327011 C[C@H](NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C)c1ccccc1 |r|
BDBM50327012 CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C |r|
BDBM50327013 COCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C
BDBM50327014 Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)N[C@@H](CO)c1ccccc1 |r|
BDBM50327015 C[C@H](NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccccc3)c2c1C)c1ccccc1 |r|
BDBM50327016 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3nccs3)c2c1C
BDBM50327017 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ncc(C)s3)c2c1C
BDBM50327018 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ncco3)c2c1C
BDBM50327019 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccon3)c2c1C
BDBM50327020 CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccon3)c2c1C
BDBM50327183 CN1CCN(CCNC(=O)c2cc(ccc2C)-n2nc(cc2NC(=O)Nc2cccc3ccccc23)C(C)(C)C)CC1
BDBM50327184 Cc1ccc(cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C |r|
BDBM50327185 Cc1ccc(cc1C(=O)N(CCCN)C1CCCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327186 CCN(CC)CCNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327187 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CN2C(O)=CNS2(=O)=O)c1 |c:30|
BDBM50327188 Cc1ccc(cc1C(=O)NCCCO)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327189 Cc1ccc(cc1C(=O)NCCCN1CCOCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327190 Cc1ccc(cc1C(=O)NCCCN1CCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327191 CC(C)N(CCCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327192 Cc1ccc(cc1C(=O)NCc1ccncn1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327193 COCCCN1CCC(CC1)NC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327194 Cc1ccc(cc1C(=O)NCCNc1ccccc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327195 CC(C)[C@H](CO)CNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C |r|
BDBM50327196 CN(CCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327197 CCN(CCN(C)C)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327198 CC(C)CC(CNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C(N)=O
BDBM50327199 Cc1ccc(cc1C(=O)NC1CCN(CCN2CCOCC2)CC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327200 CCN(CCOC)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327201 Cc1ccc(cc1C(=O)NCCc1c[nH]c2ccccc12)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327202 Cc1ccc(cc1C(=O)NCCc1ccc(N)cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327203 COc1ccccc1CCNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM50327204 Cc1ccc(cc1C(=O)NCCC1=CCCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C |t:13|
BDBM50327205 COc1ccc(CCNC(=O)c2cc(ccc2C)-n2nc(cc2NC(=O)Nc2cccc3ccccc23)C(C)(C)C)cc1
BDBM50251926 CCC(C)CNc1cc(ccn1)-c1nc(SC)[nH]c1-c1ccc(F)cc1
BDBM50251927 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CCCC(C)C)c1
BDBM50251928 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCO)c1
BDBM50251929 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCC(C)O)c1
BDBM50251930 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCC2CCCO2)c1
BDBM50251931 COc1nccc(n1)-c1ncn(Cc2ccc(cc2)C(N)=O)c1-c1ccc(F)cc1
BDBM50251932 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:23.25,wD:20.21,(13.12,-40.31,;12.35,-38.97,;10.81,-38.97,;9.9,-40.21,;8.44,-39.73,;8.44,-38.19,;9.91,-37.72,;7.11,-37.41,;7.13,-35.87,;5.8,-35.09,;4.46,-35.85,;3.13,-35.08,;4.45,-37.4,;5.78,-38.17,;7.11,-40.5,;5.77,-39.72,;4.44,-40.49,;4.44,-42.04,;5.78,-42.8,;5.79,-44.35,;7.13,-45.11,;7.12,-46.65,;8.45,-47.42,;9.79,-46.65,;11.12,-47.42,;9.79,-45.11,;8.45,-44.33,;7.11,-42.03,)|
BDBM50297487 Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
BDBM50262588 COc1ccc(NC(=O)c2ccc(C)c(c2)-c2ccc(cc2)C(=O)Nc2cccc(c2)C#N)cc1
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50297480 Fc1cc(CN2C(=O)C(N=O)c3c2cccc3-c2ccccc2)c2OCOCc2c1
BDBM50275551 Cc1cccc2c(c(nn12)-c1ccc(F)cc1)-c1ccncc1
BDBM50275550 Cc1ccc2c(c(nn2c1)-c1ccc(F)cc1)-c1ccncc1
BDBM50264755 Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50316252 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
BDBM50316253 CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
BDBM50302943 OCCC#Cc1nc(c(-c2ccncc2)n1C#C)-c1ccc(F)cc1
BDBM50302944 OCCc1cc(Cl)n2c(c(nc2c1)-c1ccc(F)cc1)-c1ccncc1
BDBM50252085 COc1nccc(n1)-c1c(ncn1Cc1cccc(c1)C#N)-c1ccc(F)cc1
BDBM50252086 C[C@H](Nc1nccc(n1)-c1c(ncn1Cc1ccc(cc1)C#N)-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50252087 COc1nccc(n1)-c1c(ncn1Cc1ccc(cc1)C#N)-c1ccc(F)cc1
BDBM50264990 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2)-c2csc(N)n2)CC1
BDBM50264991 Cc1nc(no1)-c1ccc(cc1)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50264992 Cc1nc(no1)-c1ccc(cc1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50264993 Cc1nc(no1)-c1ccc(cc1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
BDBM50251897 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccc(F)cc2)c1
BDBM50251898 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCCc2cc(C)ccc2C)c1
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50251923 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@@H]2CC[C@H](C)CC2)c1 |r,wU:20.21,23.25,(43.41,-32.21,;42.64,-30.87,;41.1,-30.87,;40.19,-32.11,;38.73,-31.63,;38.73,-30.09,;40.2,-29.62,;37.4,-29.32,;37.42,-27.77,;36.09,-26.99,;34.75,-27.76,;33.42,-26.98,;34.74,-29.3,;36.07,-30.08,;37.4,-32.4,;36.06,-31.62,;34.73,-32.39,;34.73,-33.93,;36.07,-34.7,;36.08,-36.24,;37.42,-37.02,;37.44,-38.55,;38.77,-39.32,;40.1,-38.55,;41.43,-39.32,;40.1,-37.01,;38.76,-36.24,;37.4,-33.93,)|
BDBM50251924 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H]2CC[C@H](C)CC2)c1 |r,wU:20.21,wD:23.25,(2.16,-47.39,;1.39,-46.06,;-.15,-46.05,;-1.06,-47.29,;-2.52,-46.82,;-2.51,-45.27,;-1.05,-44.8,;-3.84,-44.5,;-3.83,-42.96,;-5.16,-42.18,;-6.5,-42.94,;-7.83,-42.16,;-6.5,-44.49,;-5.17,-45.26,;-3.85,-47.58,;-5.18,-46.81,;-6.52,-47.58,;-6.52,-49.12,;-5.17,-49.89,;-5.17,-51.43,;-3.83,-52.19,;-2.49,-51.42,;-1.16,-52.19,;-1.16,-53.73,;.18,-54.5,;-2.48,-54.5,;-3.81,-53.73,;-3.85,-49.11,)|
BDBM50251925 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCC(C)CC2)c1 |(14.72,-46.89,;13.96,-45.56,;12.42,-45.55,;11.51,-46.79,;10.04,-46.31,;10.05,-44.77,;11.51,-44.3,;8.72,-44,;8.73,-42.45,;7.41,-41.68,;6.07,-42.44,;4.74,-41.66,;6.06,-43.99,;7.39,-44.76,;8.71,-47.08,;7.38,-46.31,;6.05,-47.07,;6.05,-48.62,;7.39,-49.39,;7.4,-50.93,;8.73,-51.69,;8.75,-53.23,;10.08,-54,;11.4,-53.23,;12.74,-54,;11.41,-51.69,;10.07,-50.92,;8.72,-48.61,)|
BDBM50251962 CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccco2)c1
BDBM50365804 Cn1cc(\C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)c2ccccc12
BDBM50365805 Cc1cccc(c1)-c1nc(Nc2ccc(cc2)C(O)=O)c2ccccc2n1
BDBM50365806 CCn1cc(\C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c2ccccc12
BDBM50365807 O=C1N(CCc2nc3c4c(-c5ccco5)c(oc4ncn3n2)-c2ccco2)C(=O)c2ccccc12
BDBM84782 CC(=O)c1cc(ccc1C)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM84783 CC(=O)c1cc(ccc1C)C(=O)NC(O)(NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C1CCCC1
BDBM84784 Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM84785 Cc1ccc(cc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM84786 Cc1cc(ccc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM84788 Cc1ccc(cc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM84789 Cc1ccc(cc1C(O)=O)C(=O)NC(O)(NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C)C1CCCC1
BDBM84790 Cc1ccc(cc1C(O)=O)C(=O)NC(O)(NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C1CCCC1
BDBM84791 Cc1ccc(cc1C(O)=O)C(=O)NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM84792 Cc1ccc(cc1C(O)=O)C(=O)[n+]1cccc(c1)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM84793 Cc1cc(ccc1C(O)=O)C(=O)[n+]1cccc(c1)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM84794 Cc1cc(ccc1C(O)=O)C(=O)NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM84795 O=S1(=O)Oc2c3ccccc3c3OS(=O)(=O)N=c4ccc(=N1)c2c34 |t:17,21|
BDBM84796 Clc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
BDBM84797 Brc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
BDBM84799 Brc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1 |w:12.13|
BDBM84800 Clc1cccc(c1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
BDBM84801 Fc1ccc(cc1)-n1nc(cc(C(=O)NCc2ccccc2C(F)(F)F)c1=O)-c1ccncc1
BDBM84802 NCCC(=O)c1cccc(Oc2cccc(c2)C(=O)CCN)c1
BDBM50363446 COc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM50363447 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)cc1
BDBM50363448 COc1ccc(Nc2ncc3nc(Nc4ccccc4Cl)n(C4CCCC4)c3n2)cc1
BDBM50363449 COc1ccc(Nc2ncc3nc(Nc4ccc(F)cc4F)n(C4CCCC4)c3n2)cc1
BDBM50363450 COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1
BDBM50363451 CNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
BDBM50363452 CCNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
BDBM50363453 CC(C)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
BDBM50363454 Fc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1
BDBM50363455 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-11.53,-21.51,;-10.75,-20.18,;-11.51,-18.84,;-10.74,-17.51,;-9.2,-17.52,;-8.43,-18.84,;-9.2,-20.18,;-8.44,-16.18,;-6.9,-16.18,;-6.13,-14.85,;-4.59,-14.85,;-3.83,-16.18,;-2.33,-16.49,;-2.17,-18.02,;-.84,-18.79,;.49,-18.03,;1.83,-18.8,;3.16,-18.02,;3.16,-16.47,;1.82,-15.71,;.5,-16.48,;-.84,-15.71,;-3.58,-18.65,;-3.58,-20.19,;-4.83,-21.09,;-4.36,-22.55,;-2.82,-22.56,;-2.34,-21.1,;-4.6,-17.51,;-6.13,-17.51,)|
BDBM50363456 N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(6.38,-21.6,;7.16,-20.27,;6.39,-18.93,;7.16,-17.6,;8.7,-17.61,;9.48,-18.94,;8.7,-20.27,;9.47,-16.28,;11.01,-16.28,;11.78,-14.94,;13.31,-14.95,;14.07,-16.28,;15.58,-16.59,;15.73,-18.12,;17.06,-18.89,;18.4,-18.12,;19.73,-18.89,;21.07,-18.12,;21.06,-16.57,;19.73,-15.8,;18.4,-16.57,;17.07,-15.8,;14.33,-18.75,;14.33,-20.28,;13.08,-21.18,;13.55,-22.65,;15.09,-22.65,;15.57,-21.19,;13.3,-17.6,;11.77,-17.6,)|
BDBM50363457 CCn1c(Nc2ccccc2F)nc2cnc(Nc3ccc(OC)cc3)nc12
BDBM50363458 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1
BDBM50363459 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1
BDBM50363460 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(-c4ccccc4)c3n2)cc1
BDBM50363461 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@H]4CC[C@H](N)CC4)c3n2)cc1 |r,wU:22.22,wD:25.26,(-13.48,-37.94,;-11.94,-37.94,;-11.16,-36.6,;-11.95,-35.27,;-11.17,-33.93,;-9.63,-33.94,;-8.86,-32.6,;-7.31,-32.6,;-6.54,-31.27,;-5.01,-31.27,;-4.25,-32.6,;-2.74,-32.92,;-2.59,-34.45,;-1.25,-35.22,;.08,-34.45,;1.42,-35.22,;2.76,-34.45,;2.75,-32.89,;1.41,-32.13,;.08,-32.9,;-1.25,-32.13,;-3.99,-35.07,;-4,-36.61,;-2.67,-37.37,;-2.68,-38.91,;-4.01,-39.68,;-4.02,-41.22,;-5.34,-38.9,;-5.33,-37.37,;-5.02,-33.93,;-6.55,-33.93,;-8.85,-35.26,;-9.61,-36.6,)|
BDBM50363462 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:22.22,25.26,(4.81,-38.68,;6.35,-38.68,;7.12,-37.34,;6.35,-36.01,;7.12,-34.67,;8.66,-34.68,;9.43,-33.35,;10.97,-33.34,;11.74,-32.01,;13.27,-32.01,;14.04,-33.34,;15.54,-33.66,;15.7,-35.19,;17.03,-35.96,;18.37,-35.19,;19.7,-35.96,;21.04,-35.19,;21.04,-33.64,;19.7,-32.87,;18.37,-33.64,;17.03,-32.87,;14.29,-35.82,;14.29,-37.35,;12.95,-38.11,;12.94,-39.64,;14.27,-40.42,;14.26,-41.96,;15.61,-39.66,;15.62,-38.11,;13.26,-34.67,;11.74,-34.67,;9.43,-36,;8.67,-37.34,)|
BDBM50363463 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCOCC4)c3n2)cc1
BDBM50363464 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1 |r,wU:22.22,25.29,(14.63,-45.79,;16.17,-45.79,;16.94,-44.45,;16.17,-43.11,;16.94,-41.78,;18.48,-41.79,;19.25,-40.45,;20.79,-40.45,;21.56,-39.12,;23.09,-39.12,;23.86,-40.45,;25.36,-40.76,;25.52,-42.29,;26.85,-43.06,;28.19,-42.29,;29.52,-43.07,;30.86,-42.29,;30.85,-40.74,;29.52,-39.98,;28.19,-40.75,;26.85,-39.98,;24.11,-42.92,;24.11,-44.46,;22.77,-45.21,;22.77,-46.74,;24.09,-47.52,;25.43,-46.76,;25.44,-45.22,;24.08,-49.06,;25.41,-49.84,;22.74,-49.83,;23.08,-41.77,;21.56,-41.77,;19.25,-43.11,;18.49,-44.44,)|
BDBM50363465 N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-8.05,-2.1,;-7.28,-.77,;-5.74,-.77,;-4.96,.56,;-5.74,1.89,;-7.27,1.89,;-8.04,.57,;-4.97,3.22,;-3.43,3.22,;-2.66,4.56,;-1.12,4.55,;-.36,3.22,;1.14,2.91,;1.29,1.38,;2.63,.61,;3.96,1.38,;3.96,2.92,;2.63,3.69,;5.29,3.7,;6.63,2.93,;6.63,1.38,;5.3,.61,;5.3,-.93,;-.11,.75,;-.11,-.78,;-1.36,-1.68,;-.89,-3.15,;.65,-3.15,;1.13,-1.69,;-1.14,1.9,;-2.66,1.9,)|
BDBM50363466 N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(9.91,-2.33,;10.68,-1,;12.22,-1.01,;13,.33,;12.22,1.65,;10.69,1.66,;9.92,.33,;12.99,2.99,;14.53,2.99,;15.3,4.32,;16.83,4.32,;17.6,2.99,;19.1,2.68,;19.25,1.15,;20.59,.38,;21.92,1.15,;21.92,2.69,;20.59,3.46,;23.25,3.46,;24.59,2.7,;25.92,3.47,;24.59,1.15,;23.26,.38,;23.25,-1.16,;17.85,.52,;17.85,-1.02,;16.6,-1.92,;17.07,-3.38,;18.61,-3.39,;19.09,-1.93,;16.82,1.67,;15.3,1.67,)|
BDBM50363467 N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)|
BDBM50365994 O=C(Nc1sc2CCCCc2c1C#N)C1CCCCC1
BDBM50365995 O=C(Cc1ccccc1)Nc1sc2CCCCc2c1C#N
BDBM50364141 Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
BDBM50363167 Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
BDBM50364369 Fc1ccc(Nc2nc3cnc(nc3n2C2CCCC2)C2CCOCC2)c(F)c1
BDBM50364370 CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.3,wD:7.10,(12.24,-16.76,;13.78,-16.76,;13,-18.08,;14.55,-18.1,;14.55,-15.43,;13.78,-14.09,;14.55,-12.76,;16.09,-12.76,;16.87,-14.09,;16.09,-15.43,;16.85,-11.43,;18.39,-11.42,;19.15,-10.09,;20.69,-10.09,;21.46,-11.42,;22.96,-11.73,;23.12,-13.25,;24.46,-14.02,;25.79,-13.24,;27.12,-14.02,;28.45,-13.24,;28.45,-11.7,;29.78,-10.92,;27.1,-10.94,;25.78,-11.71,;24.44,-10.95,;21.73,-13.88,;21.25,-15.34,;19.78,-15.8,;19.76,-17.34,;21.22,-17.83,;22.14,-16.6,;20.7,-12.74,;19.16,-12.74,)|
BDBM50364371 CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:4.3,wD:7.10,(-5.78,-30.64,;-4.24,-30.65,;-5.02,-31.97,;-3.47,-31.98,;-3.47,-29.31,;-4.23,-27.97,;-3.47,-26.64,;-1.93,-26.64,;-1.15,-27.97,;-1.92,-29.31,;-1.16,-25.31,;.38,-25.3,;1.14,-23.97,;2.68,-23.97,;3.45,-25.3,;4.95,-25.61,;5.11,-27.13,;6.45,-27.9,;7.78,-27.12,;9.11,-27.9,;10.44,-27.12,;10.44,-25.58,;11.77,-24.8,;9.09,-24.82,;7.77,-25.59,;6.43,-24.83,;3.72,-27.76,;2.99,-29.12,;1.45,-29.15,;.72,-30.5,;1.53,-31.82,;3.07,-31.78,;3.81,-30.42,;2.69,-26.63,;1.14,-26.62,)|
BDBM50364372 CCO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:3.2,wD:6.9,(15.15,-29.94,;15.92,-31.28,;17.46,-31.28,;18.23,-29.95,;17.47,-28.61,;18.23,-27.28,;19.77,-27.28,;20.55,-28.61,;19.78,-29.95,;20.54,-25.94,;22.08,-25.94,;22.84,-24.61,;24.38,-24.6,;25.15,-25.93,;26.65,-26.25,;26.81,-27.77,;28.15,-28.53,;29.48,-27.76,;30.81,-28.53,;32.14,-27.76,;32.14,-26.22,;33.47,-25.44,;30.79,-25.45,;29.47,-26.23,;28.13,-25.47,;25.42,-28.4,;24.69,-29.75,;23.15,-29.79,;22.42,-31.14,;23.23,-32.45,;24.77,-32.41,;25.51,-31.05,;24.39,-27.26,;22.84,-27.26,)|
BDBM50364373 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:5.4,wD:8.11,(-9.55,-42.42,;-8.78,-43.75,;-8.38,-45.23,;-9.88,-44.84,;-7.24,-43.75,;-6.46,-42.42,;-7.23,-41.08,;-6.47,-39.75,;-4.93,-39.75,;-4.15,-41.08,;-4.92,-42.42,;-4.16,-38.42,;-2.62,-38.41,;-1.86,-37.08,;-.32,-37.08,;.45,-38.41,;1.95,-38.72,;2.11,-40.24,;3.45,-41.01,;4.78,-40.23,;6.12,-41.01,;7.45,-40.23,;7.44,-38.69,;8.77,-37.91,;6.1,-37.92,;4.77,-38.7,;3.43,-37.94,;.72,-40.87,;-.01,-42.23,;-1.55,-42.26,;-2.28,-43.61,;-1.47,-44.93,;.07,-44.88,;.81,-43.53,;-.31,-39.73,;-1.85,-39.73,)|
BDBM50364374 C[C@]1(O)CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.1,wD:5.8,1.0,(18.03,-43.32,;17.64,-41.84,;16.29,-42.6,;16.87,-40.5,;17.64,-39.17,;19.17,-39.17,;19.96,-40.5,;19.18,-41.84,;19.94,-37.83,;21.48,-37.83,;22.24,-36.5,;23.79,-36.5,;24.56,-37.83,;26.05,-38.14,;26.22,-39.66,;27.55,-40.43,;28.89,-39.65,;30.22,-40.43,;31.55,-39.65,;31.55,-38.11,;32.88,-37.33,;30.2,-37.34,;28.87,-38.12,;27.53,-37.36,;24.82,-40.29,;24.09,-41.65,;22.56,-41.68,;21.83,-43.03,;22.63,-44.35,;24.17,-44.3,;24.91,-42.95,;23.79,-39.15,;22.25,-39.15,)|
BDBM50364375 CC(C)(O)[C@H]1CC[C@H](C1)c1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r|
BDBM50364376 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)|
BDBM50364377 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:4.3,wD:28.29,7.10,(11.28,-17.55,;12.05,-16.21,;13.59,-16.22,;14.36,-17.55,;14.36,-14.88,;13.6,-13.55,;14.36,-12.22,;15.9,-12.22,;16.68,-13.54,;15.9,-14.88,;16.66,-10.88,;18.2,-10.88,;18.96,-9.55,;20.51,-9.54,;21.27,-10.87,;22.77,-11.19,;22.93,-12.71,;24.27,-13.47,;25.6,-12.7,;25.59,-11.17,;24.25,-10.41,;26.91,-10.39,;28.26,-11.16,;29.59,-10.38,;28.26,-12.7,;26.93,-13.47,;26.93,-15.01,;21.54,-13.33,;21.09,-14.81,;19.64,-15.31,;19.67,-16.85,;21.15,-17.3,;22.03,-16.04,;20.51,-12.2,;18.97,-12.2,)|
BDBM50364378 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)|
BDBM50364379 CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.20,23.24,(16.31,-.3,;17.85,-.29,;18.62,1.04,;18.63,-1.63,;20.16,-1.62,;20.92,-.29,;22.47,-.29,;23.24,-1.62,;24.73,-1.93,;24.9,-3.45,;26.23,-4.22,;27.56,-3.44,;27.55,-1.91,;26.21,-1.15,;28.87,-1.13,;30.22,-1.9,;30.22,-3.44,;28.89,-4.22,;28.89,-5.76,;23.5,-4.08,;22.76,-5.42,;21.21,-5.45,;20.47,-6.79,;21.26,-8.11,;20.51,-9.46,;22.8,-8.08,;23.55,-6.73,;22.48,-2.94,;20.93,-2.94,)|
BDBM50364380 CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1 |r,wU:21.21,24.28,(-6.14,-14,;-4.6,-14,;-3.83,-12.66,;-3.82,-15.33,;-2.28,-15.33,;-1.52,-14,;.02,-13.99,;.79,-15.32,;2.28,-15.64,;2.45,-17.16,;3.78,-17.92,;5.12,-17.15,;5.1,-15.62,;3.76,-14.86,;6.43,-14.84,;7.77,-15.61,;9.1,-14.83,;7.78,-17.15,;6.45,-17.92,;6.45,-19.46,;1.05,-17.78,;.31,-19.13,;-1.23,-19.15,;-1.98,-20.49,;-1.19,-21.82,;.35,-21.79,;1.11,-20.44,;-1.94,-23.16,;-3.48,-23.19,;-1.15,-24.48,;.03,-16.65,;-1.52,-16.65,)|
BDBM50364381 CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)NC3CC3)c2n1 |r,wU:21.21,24.28,(15.56,-14.27,;17.1,-14.26,;17.87,-12.93,;17.88,-15.59,;19.42,-15.59,;20.18,-14.26,;21.72,-14.26,;22.49,-15.59,;23.98,-15.9,;24.15,-17.42,;25.48,-18.18,;26.81,-17.41,;26.8,-15.88,;25.46,-15.12,;28.13,-15.1,;29.47,-15.87,;30.8,-15.09,;29.48,-17.41,;28.14,-18.18,;28.14,-19.72,;22.75,-18.05,;22.01,-19.39,;20.47,-19.41,;19.72,-20.76,;20.51,-22.08,;22.05,-22.05,;22.81,-20.7,;19.76,-23.42,;20.55,-24.75,;18.22,-23.45,;17.43,-22.13,;17.4,-20.59,;16.08,-21.38,;21.73,-16.91,;20.18,-16.91,)|
BDBM50364382 CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1 |r,wU:21.21,24.28,(-4.33,-32.66,;-2.79,-32.66,;-2.03,-31.32,;-2.02,-33.99,;-.48,-33.98,;.28,-32.66,;1.82,-32.65,;2.59,-33.98,;4.09,-34.29,;4.25,-35.81,;5.59,-36.58,;6.92,-35.8,;6.91,-34.28,;5.57,-33.52,;8.23,-33.5,;9.58,-34.26,;10.91,-33.49,;9.58,-35.8,;8.25,-36.58,;8.25,-38.12,;2.86,-36.44,;2.11,-37.78,;.57,-37.81,;-.17,-39.15,;.62,-40.47,;2.16,-40.45,;2.91,-39.1,;-.13,-41.82,;.66,-43.14,;-1.67,-41.84,;-2.46,-40.52,;-3.99,-40.54,;-4.75,-41.89,;-3.96,-43.21,;-2.42,-43.19,;1.83,-35.31,;.29,-35.31,)|
BDBM50364383 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-5.84,-5.68,;-5.07,-4.34,;-5.84,-3.01,;-5.08,-1.68,;-3.54,-1.68,;-2.76,-3.01,;-3.53,-4.34,;-2.77,-.34,;-1.23,-.34,;-.47,.99,;1.07,1,;1.84,-.33,;3.33,-.65,;3.5,-2.17,;4.83,-2.93,;6.16,-2.16,;7.49,-2.93,;8.83,-2.16,;8.82,-.62,;10.15,.16,;7.48,.15,;6.15,-.63,;4.81,.13,;2.1,-2.79,;1.57,-4.24,;.09,-4.65,;.03,-6.19,;1.47,-6.73,;2.43,-5.52,;1.08,-1.66,;-.47,-1.66,)|
BDBM50364384 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.0,wD:4.7,(13.36,-4.29,;14.13,-2.95,;13.36,-1.62,;14.13,-.29,;15.66,-.29,;16.45,-1.62,;15.67,-2.95,;16.43,1.05,;17.97,1.06,;18.73,2.39,;20.28,2.39,;21.04,1.06,;22.54,.75,;22.71,-.77,;24.04,-1.54,;25.38,-.77,;26.71,-1.54,;28.04,-.77,;28.03,.78,;29.37,1.55,;26.69,1.54,;25.36,.76,;24.02,1.52,;21.31,-1.4,;20.55,-2.75,;19.02,-2.75,;18.26,-4.09,;19.04,-5.42,;20.59,-5.41,;21.35,-4.06,;20.28,-.27,;18.74,-.27,)|
BDBM50363301 Cc1ccc(cc1-c1cc2nnc(-c3ccc(F)cc3F)n2n(C)c1=O)C(=O)NC1CC1
BDBM50363302 Cc1c(F)cc(cc1-c1cc2nnc(-c3c(F)cccc3F)n2n(C)c1=O)C(=O)NC1CC1 |(16.74,-43.73,;18.28,-43.73,;19.06,-42.41,;18.29,-41.07,;20.61,-42.41,;21.36,-43.76,;20.58,-45.08,;19.05,-45.06,;18.26,-46.39,;16.71,-46.37,;15.94,-47.71,;14.43,-48.02,;14.25,-49.55,;15.65,-50.19,;15.65,-51.73,;14.31,-52.49,;12.99,-51.71,;14.3,-54.03,;15.63,-54.81,;16.97,-54.05,;16.98,-52.5,;18.31,-51.73,;16.7,-49.06,;18.24,-49.07,;19,-50.41,;19.03,-47.74,;20.57,-47.75,;22.9,-43.77,;23.69,-42.45,;23.66,-45.11,;25.2,-45.13,;26.52,-45.92,;26.54,-44.38,)|
BDBM50363303 Cc1c(F)cc(cc1-c1cc2nnc(-c3c(F)cccc3Cl)n2n(C)c1=O)C(=O)NC1CC1 |(-5.99,4.05,;-4.45,4.05,;-3.68,5.37,;-4.44,6.71,;-2.13,5.36,;-1.37,4.02,;-2.15,2.7,;-3.69,2.71,;-4.47,1.39,;-6.02,1.4,;-6.8,.07,;-8.31,-.24,;-8.48,-1.77,;-7.08,-2.41,;-7.09,-3.95,;-5.76,-4.72,;-4.42,-3.95,;-5.76,-6.27,;-7.1,-7.03,;-8.43,-6.25,;-8.42,-4.71,;-9.75,-3.93,;-6.03,-1.28,;-4.49,-1.29,;-3.74,-2.63,;-3.71,.04,;-2.17,.03,;.17,4.01,;.95,5.33,;.93,2.67,;2.47,2.65,;3.79,1.86,;3.8,3.4,)|
BDBM50363304 Cc1cccc(F)c1-c1nnc2cc(-c3cc(cc(F)c3C)C(=O)NC3CC3)c(=O)n(C)n12 |(15.24,-3.88,;16.57,-4.65,;16.56,-6.2,;17.89,-6.98,;19.23,-6.22,;19.23,-4.67,;20.57,-3.9,;17.9,-3.89,;17.91,-2.35,;16.51,-1.71,;16.68,-.18,;18.19,.12,;18.97,1.46,;20.52,1.44,;21.3,2.77,;22.84,2.75,;23.62,4.08,;22.86,5.42,;21.31,5.43,;20.55,6.77,;20.54,4.1,;19,4.11,;25.16,4.06,;25.94,5.39,;25.92,2.72,;27.46,2.71,;28.78,1.92,;28.79,3.46,;21.28,.1,;22.82,.08,;20.5,-1.23,;21.25,-2.58,;18.96,-1.22,)|
BDBM50363305 CCn1n2c(nnc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1F |(-1.54,-20.38,;-3.08,-20.36,;-3.84,-19.02,;-5.38,-19.01,;-6.43,-20.14,;-7.83,-19.5,;-7.65,-17.97,;-6.14,-17.66,;-5.37,-16.33,;-3.82,-16.35,;-3.03,-15.02,;-1.5,-15.04,;-.72,-13.71,;-1.48,-12.37,;-3.02,-12.36,;-3.8,-13.69,;-5.34,-13.68,;.82,-13.73,;1.6,-12.4,;1.58,-15.07,;3.12,-15.08,;4.44,-15.87,;4.46,-14.33,;-3.05,-17.69,;-1.51,-17.71,;-6.43,-21.68,;-7.77,-22.44,;-9.1,-21.66,;-7.78,-23.99,;-6.45,-24.77,;-5.11,-24,;-5.1,-22.45,;-3.77,-21.69,)|
BDBM50363306 CCn1n2c(nnc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1Cl |(19.78,-19.74,;18.24,-19.73,;17.49,-18.38,;15.95,-18.37,;14.9,-19.5,;13.5,-18.86,;13.67,-17.33,;15.18,-17.03,;15.96,-15.69,;17.51,-15.71,;18.29,-14.38,;19.83,-14.4,;20.61,-13.07,;19.85,-11.73,;18.3,-11.72,;17.53,-13.05,;15.99,-13.04,;22.15,-13.09,;22.93,-11.76,;22.91,-14.43,;24.45,-14.44,;25.77,-15.23,;25.78,-13.69,;18.27,-17.05,;19.81,-17.07,;14.89,-21.04,;16.22,-21.82,;17.56,-21.05,;16.22,-23.37,;14.88,-24.13,;13.55,-23.35,;13.56,-21.8,;12.23,-21.03,)|
BDBM50363307 CCn1n2c(nnc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1c(C)cccc1F |(-1.89,-36.13,;-3.43,-36.11,;-4.19,-34.77,;-5.73,-34.76,;-6.78,-35.89,;-8.18,-35.25,;-8,-33.72,;-6.49,-33.41,;-5.72,-32.08,;-4.17,-32.1,;-3.38,-30.77,;-1.85,-30.79,;-1.07,-29.46,;-1.83,-28.12,;-3.37,-28.11,;-4.15,-29.44,;-5.69,-29.43,;.47,-29.48,;1.25,-28.15,;1.23,-30.82,;2.77,-30.83,;4.09,-31.62,;4.11,-30.08,;-3.4,-33.44,;-1.86,-33.46,;-6.78,-37.43,;-8.12,-38.19,;-9.45,-37.41,;-8.13,-39.74,;-6.8,-40.52,;-5.46,-39.75,;-5.45,-38.2,;-4.12,-37.44,)|
BDBM50363308 CCn1n2c(nnc2cc(-c2cc(cc(F)c2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1F |(19.89,-34.67,;18.35,-34.65,;17.59,-33.31,;16.06,-33.3,;15.01,-34.43,;13.61,-33.79,;13.78,-32.26,;15.29,-31.95,;16.07,-30.62,;17.62,-30.63,;18.4,-29.31,;19.94,-29.32,;20.72,-28,;19.96,-26.66,;18.41,-26.65,;17.65,-25.31,;17.64,-27.97,;16.1,-27.97,;22.26,-28.01,;23.04,-26.69,;23.02,-29.35,;24.55,-29.37,;25.88,-30.16,;25.89,-28.62,;18.38,-31.98,;19.92,-31.99,;15,-35.97,;13.67,-36.73,;12.34,-35.95,;13.66,-38.27,;14.99,-39.05,;16.33,-38.29,;16.33,-36.74,;17.67,-35.97,)|
BDBM50363309 CCn1n2c(nnc2cc(-c2cc(cc(F)c2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1Cl |(-1.33,-50.07,;-2.87,-50.05,;-3.63,-48.71,;-5.17,-48.7,;-6.22,-49.83,;-7.62,-49.19,;-7.44,-47.66,;-5.93,-47.35,;-5.16,-46.02,;-3.61,-46.03,;-2.82,-44.71,;-1.29,-44.72,;-.51,-43.4,;-1.27,-42.06,;-2.81,-42.05,;-3.58,-40.71,;-3.59,-43.37,;-5.13,-43.37,;1.03,-43.41,;1.81,-42.09,;1.79,-44.75,;3.33,-44.77,;4.65,-45.56,;4.67,-44.02,;-2.84,-47.38,;-1.3,-47.39,;-6.22,-51.37,;-4.89,-52.14,;-3.56,-51.37,;-4.9,-53.69,;-6.24,-54.45,;-7.57,-53.67,;-7.56,-52.13,;-8.89,-51.35,)|
BDBM50363310 CCn1n2c(nnc2cc(-c2cc(cc(F)c2C)C(=O)NC2CC2)c1=O)-c1c(C)cccc1F |(19.08,-51,;17.54,-50.98,;16.78,-49.64,;15.24,-49.63,;14.19,-50.76,;12.79,-50.12,;12.97,-48.59,;14.48,-48.28,;15.25,-46.95,;16.8,-46.97,;17.58,-45.64,;19.12,-45.66,;19.9,-44.33,;19.14,-42.99,;17.6,-42.98,;16.83,-41.64,;16.82,-44.31,;15.28,-44.3,;21.44,-44.35,;22.22,-43.02,;22.2,-45.69,;23.74,-45.7,;25.06,-46.49,;25.07,-44.95,;17.57,-48.31,;19.11,-48.33,;14.19,-52.3,;12.85,-53.06,;11.52,-52.28,;12.84,-54.61,;14.17,-55.39,;15.51,-54.62,;15.52,-53.07,;16.85,-52.31,)|
BDBM50363311 Cc1ccc(cc1-c1cc2nnc(-c3c(F)cccc3F)n2n(C)c1=O)C(=O)NC1CC1 |(-6.76,-13.46,;-5.22,-13.47,;-4.45,-12.14,;-2.9,-12.15,;-2.14,-13.49,;-2.92,-14.82,;-4.46,-14.8,;-5.24,-16.13,;-6.79,-16.11,;-7.57,-17.45,;-9.08,-17.75,;-9.25,-19.28,;-7.85,-19.92,;-7.86,-21.46,;-9.19,-22.22,;-10.52,-21.45,;-9.2,-23.77,;-7.87,-24.55,;-6.53,-23.79,;-6.53,-22.24,;-5.19,-21.47,;-6.8,-18.79,;-5.26,-18.8,;-4.51,-20.15,;-4.48,-17.47,;-2.94,-17.49,;-.6,-13.51,;.18,-12.18,;.16,-14.85,;1.7,-14.86,;3.02,-15.65,;3.03,-14.11,)|
BDBM50363312 Cc1ccc(cc1-c1cc2nnc(-c3c(F)cccc3Cl)n2n(C)c1=O)C(=O)NC1CC1 |(18.12,-13.64,;19.66,-13.65,;20.43,-12.32,;21.98,-12.33,;22.74,-13.67,;21.96,-15,;20.42,-14.98,;19.64,-16.31,;18.09,-16.29,;17.31,-17.62,;15.81,-17.93,;15.63,-19.46,;17.03,-20.1,;17.02,-21.64,;18.36,-22.41,;19.69,-21.65,;18.35,-23.96,;17.01,-24.73,;15.68,-23.95,;15.69,-22.4,;14.36,-21.62,;18.08,-18.97,;19.62,-18.98,;20.37,-20.32,;20.4,-17.65,;21.94,-17.67,;24.28,-13.69,;25.06,-12.36,;25.04,-15.03,;26.58,-15.04,;27.9,-15.83,;27.91,-14.29,)|
BDBM50363313 Cc1ccc(cc1-c1cc2nnc(-c3c(C)cccc3F)n2n(C)c1=O)C(=O)NC1CC1 |(-7.56,-29.9,;-6.02,-29.91,;-5.24,-28.58,;-3.69,-28.59,;-2.93,-29.94,;-3.72,-31.26,;-5.25,-31.24,;-6.03,-32.57,;-7.58,-32.55,;-8.36,-33.89,;-9.87,-34.2,;-10.04,-35.73,;-8.64,-36.37,;-8.65,-37.91,;-9.98,-38.67,;-11.31,-37.89,;-10,-40.21,;-8.67,-40.99,;-7.32,-40.23,;-7.32,-38.68,;-5.98,-37.91,;-7.6,-35.23,;-6.06,-35.25,;-5.3,-36.59,;-5.27,-33.92,;-3.73,-33.93,;-1.39,-29.95,;-.61,-28.62,;-.64,-31.29,;.9,-31.31,;2.22,-32.1,;2.24,-30.56,)|
BDBM50363314 Cc1ccc(cc1-c1cc2nnc(-c3cc(F)ccc3Cl)n2n(C)c1=O)C(=O)NC1CC1
BDBM50363315 Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1c(F)cccc1F)C(=O)NC1CC1 |(19.28,4.82,;20.82,4.82,;21.59,6.14,;23.14,6.13,;23.9,4.79,;23.12,3.47,;21.58,3.48,;20.8,2.16,;21.56,.81,;20.78,-.52,;19.24,-.51,;18.19,-1.64,;16.79,-1,;16.96,.53,;18.47,.84,;19.25,2.17,;18.18,-3.18,;16.85,-3.94,;15.52,-3.16,;16.84,-5.48,;18.17,-6.26,;19.51,-5.5,;19.51,-3.95,;20.85,-3.18,;25.44,4.78,;26.22,6.1,;26.2,3.44,;27.74,3.42,;29.06,2.63,;29.07,4.17,)|
BDBM50355986 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
BDBM50355987 Cc1nc(no1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
BDBM50355988 Cc1noc(n1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
BDBM50355989 Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
BDBM50355990 Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
BDBM50355991 Cc1c[nH]c(n1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
BDBM50355992 Cc1nc(c[nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
BDBM50355993 Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)-c1nnc[nH]1
BDBM50355994 Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)-c1nnc([nH]1)C1CC1
BDBM50355995 Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC2)c1
BDBM50355996 Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C2(C)C)c1
BDBM50355997 Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
BDBM50355998 Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1
BDBM50355999 Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCCC2)c1
BDBM50356000 O=C1Nc2cc(ccc2C11CCCC1)-c1cccc2c(NC3CC3)noc12
BDBM50356001 Clc1cc2c(NC(=O)C22CCCC2)cc1-c1cccc2c(NC3CC3)noc12
BDBM50356002 Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1
BDBM50356003 Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1
BDBM50356004 Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
BDBM50356005 Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1
BDBM50356006 Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1
BDBM50356007 Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
BDBM50356008 Cc1ccn2c(N)nnc2c1-c1ccc2c(NC(=O)C22CCCC2)c1
BDBM50343673 NS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM50343674 O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1
BDBM50345739 COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
BDBM50345740 CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
BDBM50345778 CCOC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50345779 NC(=O)Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50345780 NC(=O)CCc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM50345781 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(F)c(F)c2)n1
BDBM50345782 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(OC(=O)c3ccccc3)cc2)n1
BDBM50345783 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(CC(=O)NN3CCNCC3)c2)n1
BDBM50361088 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
BDBM50361089 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50358430 CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM84976 COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
BDBM84977 COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM84979 OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
BDBM84980 Oc1cc(O)c2CC(OC(=O)c3ccc(O)c(O)c3O)C(Oc2c1)c1cc(O)c(O)c(O)c1
BDBM84981 COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
BDBM84982 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
BDBM84983 COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(OC)c1
BDBM84984 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
BDBM84985 COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1
BDBM84986 OC1C(=O)[C@@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
BDBM50357884 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
BDBM50357885 Cc1ccccc1-c1nccc2c(ccnc12)-c1ccc(F)cc1F
BDBM50357886 Cc1ccccc1-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(26.55,-4.96,;27.88,-5.73,;27.89,-7.27,;29.22,-8.04,;30.56,-7.26,;30.55,-5.72,;29.22,-4.96,;29.21,-3.43,;27.88,-2.66,;26.54,-3.43,;27.88,-1.11,;29.21,-.34,;30.54,-1.11,;31.88,-.33,;33.22,-1.11,;33.22,-2.66,;31.87,-3.42,;30.54,-2.65,;31.88,1.2,;30.55,1.97,;30.54,3.5,;31.88,4.28,;31.88,5.82,;33.22,3.51,;33.22,1.97,;34.55,1.2,)|
BDBM50357887 COc1ccccc1-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(-8.7,-22.73,;-7.37,-21.96,;-6.04,-22.73,;-6.03,-24.26,;-4.7,-25.03,;-3.36,-24.25,;-3.37,-22.72,;-4.7,-21.95,;-4.71,-20.42,;-6.04,-19.65,;-7.37,-20.42,;-6.04,-18.11,;-4.71,-17.34,;-3.37,-18.1,;-2.04,-17.32,;-.7,-18.1,;-.7,-19.65,;-2.05,-20.42,;-3.38,-19.65,;-2.04,-15.79,;-3.37,-15.03,;-3.38,-13.49,;-2.04,-12.71,;-2.04,-11.17,;-.7,-13.48,;-.7,-15.02,;.63,-15.79,)|
BDBM50357888 [O-][n+]1ccc2c(ccnc2c1-c1ccccc1Cl)-c1ccc(F)cc1F |(3.33,-20.74,;4.66,-19.97,;4.66,-18.43,;5.99,-17.65,;7.33,-18.42,;8.66,-17.64,;10,-18.42,;10,-19.97,;8.66,-20.74,;7.33,-19.97,;6,-20.74,;6,-22.27,;7.33,-23.04,;7.34,-24.57,;6,-25.35,;4.67,-24.58,;4.67,-23.05,;3.33,-22.28,;8.66,-16.11,;7.33,-15.35,;7.33,-13.81,;8.66,-13.03,;8.66,-11.49,;10,-13.8,;10,-15.34,;11.33,-16.11,)|
BDBM50357889 [O-][n+]1ccc2c(ccnc2c1-c1ccccc1F)-c1ccc(F)cc1F |(14.31,-20.58,;15.64,-19.81,;15.65,-18.26,;16.98,-17.49,;18.31,-18.26,;19.64,-17.48,;20.98,-18.26,;20.98,-19.81,;19.64,-20.57,;18.31,-19.8,;16.98,-20.58,;16.98,-22.11,;18.31,-22.87,;18.32,-24.41,;16.99,-25.19,;15.65,-24.42,;15.65,-22.88,;14.31,-22.11,;19.64,-15.95,;18.31,-15.18,;18.31,-13.65,;19.65,-12.87,;19.65,-11.33,;20.98,-13.64,;20.98,-15.18,;22.31,-15.95,)|
BDBM50357890 Cc1cccc(C)c1-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(25.95,-22.11,;27.28,-22.87,;27.29,-24.41,;28.62,-25.18,;29.96,-24.4,;29.95,-22.86,;31.28,-22.09,;28.62,-22.1,;28.61,-20.57,;27.28,-19.8,;25.95,-20.57,;27.28,-18.25,;28.61,-17.48,;29.95,-18.25,;31.28,-17.47,;32.62,-18.25,;32.62,-19.8,;31.27,-20.56,;29.94,-19.79,;31.28,-15.94,;29.95,-15.18,;29.94,-13.64,;31.28,-12.86,;31.28,-11.32,;32.62,-13.63,;32.62,-15.17,;33.95,-15.94,)|
BDBM50357891 COc1cccc(OC)c1-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(-10.9,-39.4,;-9.56,-38.63,;-8.23,-39.39,;-8.23,-40.93,;-6.89,-41.7,;-5.55,-40.92,;-5.56,-39.38,;-4.23,-38.61,;-2.9,-39.37,;-6.89,-38.62,;-6.9,-37.09,;-8.23,-36.32,;-9.57,-37.09,;-8.23,-34.77,;-6.9,-34,;-5.57,-34.77,;-4.23,-33.99,;-2.9,-34.77,;-2.9,-36.32,;-4.24,-37.08,;-5.57,-36.31,;-4.23,-32.46,;-5.56,-31.7,;-5.57,-30.16,;-4.23,-29.38,;-4.23,-27.84,;-2.9,-30.15,;-2.9,-31.69,;-1.56,-32.46,)|
BDBM50357892 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1F |(1.17,-37.04,;2.5,-36.27,;2.5,-34.73,;3.83,-33.96,;5.17,-34.72,;6.5,-33.95,;7.84,-34.72,;7.84,-36.27,;6.49,-37.04,;5.16,-36.27,;3.83,-37.04,;3.84,-38.58,;2.5,-39.35,;1.17,-38.58,;2.51,-40.89,;3.84,-41.65,;5.18,-40.87,;5.17,-39.34,;6.5,-38.56,;6.5,-32.41,;5.17,-31.65,;5.16,-30.11,;6.5,-29.33,;6.5,-27.79,;7.84,-30.11,;7.84,-31.64,;9.17,-32.42,)|
BDBM50357893 [O-][n+]1ccc2c(ccnc2c1-c1c(F)cccc1F)-c1ccc(F)cc1F |(11.83,-37.21,;13.16,-36.44,;13.17,-34.9,;14.49,-34.13,;15.83,-34.89,;17.16,-34.12,;18.5,-34.9,;18.5,-36.44,;17.16,-37.21,;15.83,-36.44,;14.5,-37.21,;14.5,-38.75,;13.17,-39.52,;11.83,-38.75,;13.17,-41.06,;14.51,-41.83,;15.84,-41.04,;15.83,-39.51,;17.16,-38.73,;17.16,-32.58,;15.83,-31.82,;15.83,-30.28,;17.17,-29.51,;17.16,-27.97,;18.5,-30.28,;18.5,-31.82,;19.83,-32.59,)|
BDBM50357894 Cc1cc(O)ccc1-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(22.05,-38.39,;23.39,-39.16,;23.39,-40.7,;24.73,-41.47,;24.73,-43.01,;26.06,-40.69,;26.05,-39.15,;24.72,-38.39,;24.72,-36.86,;23.38,-36.09,;22.05,-36.85,;23.39,-34.54,;24.71,-33.77,;26.05,-34.53,;27.38,-33.76,;28.72,-34.54,;28.72,-36.08,;27.38,-36.85,;26.05,-36.08,;27.38,-32.23,;26.05,-31.46,;26.05,-29.93,;27.39,-29.15,;27.38,-27.61,;28.72,-29.92,;28.72,-31.46,;30.05,-32.23,)|
BDBM50357895 Cc1cc(OCCN2CCOCC2)ccc1-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(39.03,-36.8,;37.7,-37.57,;37.71,-39.11,;36.38,-39.89,;36.38,-41.43,;35.05,-42.2,;33.71,-41.44,;32.38,-42.21,;31.05,-41.44,;29.73,-42.21,;29.72,-43.75,;31.06,-44.52,;32.4,-43.75,;35.04,-39.12,;35.04,-37.58,;36.37,-36.81,;36.37,-35.28,;35.03,-34.51,;33.7,-35.28,;35.04,-32.96,;36.37,-32.19,;37.7,-32.96,;39.03,-32.18,;40.37,-32.96,;40.37,-34.51,;39.03,-35.27,;37.7,-34.5,;39.03,-30.65,;37.7,-29.88,;37.7,-28.35,;39.04,-27.57,;39.04,-26.03,;40.37,-28.34,;40.37,-29.88,;41.7,-30.65,)|
BDBM50357896 COCCNC(=O)c1ccc(c(C)c1)-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(-1.08,-9.67,;-2.41,-8.9,;-3.75,-9.67,;-5.08,-8.91,;-6.41,-9.68,;-7.75,-8.92,;-9.08,-9.69,;-7.75,-7.38,;-9.09,-6.61,;-9.09,-5.07,;-7.76,-4.3,;-6.43,-5.06,;-5.1,-4.28,;-6.42,-6.6,;-7.76,-2.77,;-9.1,-2,;-10.43,-2.76,;-9.09,-.45,;-7.77,.32,;-6.43,-.44,;-5.1,.33,;-3.76,-.45,;-3.76,-1.99,;-5.1,-2.7,;-6.43,-1.99,;-5.1,1.86,;-6.43,2.63,;-6.43,4.16,;-5.09,4.94,;-5.1,6.48,;-3.76,4.17,;-3.76,2.63,;-2.43,1.86,)|
BDBM50357897 Cc1cc(NS(C)(=O)=O)ccc1-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(7.61,-4.28,;6.28,-5.06,;6.29,-6.6,;4.95,-7.38,;4.96,-8.92,;6.29,-9.68,;7.63,-8.91,;7.05,-11.01,;5.52,-11.01,;3.62,-6.61,;3.62,-5.07,;4.95,-4.3,;4.95,-2.77,;3.61,-2,;2.28,-2.76,;3.61,-.45,;4.94,.32,;6.28,-.44,;7.61,.33,;8.95,-.45,;8.95,-1.99,;7.61,-2.76,;6.28,-1.99,;7.61,1.86,;6.28,2.63,;6.28,4.16,;7.61,4.94,;7.61,6.48,;8.95,4.17,;8.95,2.63,;10.28,1.86,)|
BDBM50357898 COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)[n+]([O-])ccc12 |(15.24,2.65,;16.58,1.89,;17.91,2.66,;17.9,4.2,;19.24,4.97,;20.58,4.2,;20.58,2.66,;19.24,1.89,;19.24,.36,;20.58,-.42,;20.58,-1.96,;19.23,-2.73,;17.9,-1.96,;16.57,-2.74,;16.58,-4.27,;15.24,-5.04,;13.91,-4.27,;15.25,-6.58,;16.58,-7.35,;17.92,-6.57,;17.91,-5.03,;19.24,-4.25,;15.24,-1.96,;13.91,-2.73,;15.24,-.42,;16.57,.35,;17.91,-.41,)|
BDBM50357899 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1cccc(c1)C(F)(F)F |(25.31,-3.57,;26.64,-2.8,;26.64,-1.25,;27.97,-.48,;29.31,-1.25,;30.64,-.47,;31.98,-1.25,;31.98,-2.8,;30.64,-3.56,;29.31,-2.79,;27.98,-3.57,;27.98,-5.1,;26.65,-5.87,;25.31,-5.1,;26.65,-7.41,;27.98,-8.18,;29.32,-7.4,;29.31,-5.86,;30.64,-5.09,;30.64,1.06,;31.98,1.83,;31.98,3.37,;30.64,4.14,;29.31,3.36,;29.31,1.83,;27.97,4.13,;27.96,5.67,;26.64,3.35,;26.63,4.9,)|
BDBM50357900 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(cc1)C(F)(F)F |(-9.35,-24.55,;-8.02,-23.78,;-8.01,-22.24,;-6.68,-21.47,;-5.35,-22.23,;-4.02,-21.45,;-2.68,-22.23,;-2.68,-23.78,;-4.02,-24.55,;-5.35,-23.78,;-6.68,-24.55,;-6.68,-26.08,;-8.01,-26.86,;-9.35,-26.09,;-8.01,-28.39,;-6.67,-29.16,;-5.34,-28.38,;-5.35,-26.85,;-4.02,-26.07,;-4.02,-19.92,;-2.68,-19.15,;-2.68,-17.61,;-4.01,-16.84,;-5.35,-17.62,;-5.35,-19.16,;-4.01,-15.3,;-2.68,-14.53,;-5.35,-14.53,;-4.03,-13.76,)|
BDBM50357901 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccccc1Cl |(1.89,-22.15,;3.22,-21.39,;3.23,-19.84,;4.55,-19.07,;5.89,-19.83,;7.22,-19.06,;8.56,-19.84,;8.56,-21.38,;7.22,-22.15,;5.89,-21.38,;4.56,-22.16,;4.56,-23.69,;3.23,-24.46,;1.89,-23.69,;3.23,-26,;4.57,-26.77,;5.9,-25.99,;5.89,-24.45,;7.22,-23.67,;7.22,-17.53,;8.56,-16.76,;8.56,-15.22,;7.23,-14.45,;5.89,-15.23,;5.89,-16.76,;4.56,-17.54,)|
BDBM50357902 [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)C1CCNCC1)-c1ccc(F)cc1F |(3.73,1.38,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;-0,3.85,;-1.07,3.23,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-1.33,-3.08,;.01,-3.84,;.01,-5.38,;-1.32,-6.16,;-1.32,-7.39,;-2.65,-5.39,;-2.66,-3.85,;-3.73,-3.24,)|
BDBM50357903 [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)C1CCNCC1)-c1ccc(F)cc1Cl |(-9.19,-39.37,;-7.86,-38.61,;-7.86,-37.06,;-6.53,-36.29,;-5.19,-37.05,;-3.86,-36.28,;-2.52,-37.06,;-2.52,-38.6,;-3.87,-39.37,;-5.2,-38.6,;-6.53,-39.38,;-6.52,-40.91,;-7.86,-41.68,;-9.19,-40.91,;-7.85,-43.22,;-6.52,-43.99,;-5.18,-43.21,;-5.19,-41.67,;-3.86,-40.89,;-1.19,-39.37,;-1.2,-40.91,;.13,-41.69,;1.47,-40.93,;1.47,-39.38,;.14,-38.6,;-3.86,-34.75,;-2.52,-33.98,;-2.52,-32.44,;-3.86,-31.67,;-3.86,-30.13,;-5.2,-32.45,;-5.19,-33.98,;-6.52,-34.76,)|
BDBM50357904 CN1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(17.77,-41.9,;16.45,-41.12,;15.11,-41.88,;13.78,-41.11,;13.79,-39.56,;15.12,-38.8,;16.45,-39.58,;12.46,-38.8,;12.47,-37.25,;11.13,-36.47,;11.13,-34.94,;12.46,-34.17,;12.47,-32.63,;11.13,-31.86,;11.13,-30.32,;9.79,-32.64,;9.8,-34.18,;8.47,-34.95,;9.79,-37.25,;8.46,-36.48,;7.13,-37.26,;7.13,-38.8,;5.79,-39.57,;8.46,-39.57,;8.47,-41.1,;7.13,-41.88,;5.8,-41.11,;7.13,-43.41,;8.47,-44.18,;9.81,-43.4,;9.8,-41.87,;11.13,-41.09,;9.79,-38.8,;11.12,-39.57,)|
BDBM50357905 CC(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(32.53,-43.15,;32.54,-41.61,;33.88,-40.85,;31.21,-40.83,;29.87,-41.59,;28.54,-40.82,;28.55,-39.28,;29.88,-38.51,;31.22,-39.29,;27.23,-38.51,;27.23,-36.96,;25.89,-36.19,;25.89,-34.65,;27.23,-33.88,;27.23,-32.35,;25.89,-31.57,;25.89,-30.03,;24.55,-32.35,;24.56,-33.89,;23.23,-34.66,;24.56,-36.96,;23.22,-36.2,;21.89,-36.97,;21.89,-38.51,;20.56,-39.28,;23.22,-39.28,;23.23,-40.82,;21.89,-41.59,;20.56,-40.82,;21.9,-43.13,;23.23,-43.89,;24.57,-43.11,;24.56,-41.58,;25.89,-40.8,;24.55,-38.51,;25.88,-39.28,)|
BDBM50357906 CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(2.33,-7.59,;2.34,-6.04,;3.68,-5.28,;3.67,-6.81,;1.02,-5.27,;-.33,-6.03,;-1.65,-5.25,;-1.64,-3.71,;-.31,-2.94,;1.02,-3.72,;-2.98,-2.94,;-2.97,-1.4,;-4.31,-.62,;-4.31,.91,;-2.98,1.68,;-2.97,3.22,;-4.31,3.99,;-4.31,5.53,;-5.65,3.22,;-5.64,1.68,;-6.97,.91,;-5.65,-1.39,;-6.98,-.63,;-8.31,-1.4,;-8.31,-2.94,;-9.65,-3.71,;-6.98,-3.72,;-6.97,-5.25,;-8.31,-6.02,;-9.64,-5.25,;-8.31,-7.56,;-6.97,-8.33,;-5.63,-7.55,;-5.64,-6.01,;-4.31,-5.23,;-5.65,-2.94,;-4.32,-3.71,)|
BDBM50357907 [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)-c1ccncc1)-c1ccc(F)cc1Cl |(7.36,-4.61,;8.69,-3.84,;8.7,-2.3,;10.03,-1.52,;11.36,-2.29,;12.7,-1.51,;14.04,-2.29,;14.03,-3.84,;12.69,-4.61,;11.36,-3.84,;10.03,-4.61,;10.03,-6.14,;8.7,-6.92,;7.36,-6.15,;8.7,-8.46,;10.04,-9.23,;11.37,-8.44,;11.37,-6.91,;12.7,-6.13,;15.36,-4.61,;15.36,-6.15,;16.69,-6.92,;18.03,-6.16,;18.03,-4.61,;16.69,-3.84,;12.7,.02,;14.03,.79,;14.03,2.33,;12.7,3.1,;12.7,4.64,;11.36,2.32,;11.37,.79,;10.03,.01,)|
BDBM50357908 [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)-c1cccnc1)-c1ccc(F)cc1Cl |(20.56,-4.2,;21.9,-3.43,;21.9,-1.88,;23.23,-1.11,;24.57,-1.88,;25.9,-1.1,;27.24,-1.88,;27.24,-3.43,;25.9,-4.19,;24.56,-3.42,;23.23,-4.2,;23.24,-5.73,;21.9,-6.5,;20.57,-5.74,;21.91,-8.04,;23.24,-8.81,;24.58,-8.03,;24.57,-6.49,;25.9,-5.72,;28.57,-4.19,;28.56,-5.74,;29.89,-6.51,;31.23,-5.74,;31.23,-4.2,;29.9,-3.43,;25.9,.43,;27.24,1.2,;27.24,2.74,;25.9,3.51,;25.9,5.05,;24.56,2.73,;24.57,1.2,;23.24,.42,)|
BDBM50357909 [O-][n+]1ccc2c(cc(nc2c1-c1c(F)cccc1F)C1CCNCC1)-c1ccccc1Cl |(-8.74,-20.09,;-7.4,-19.32,;-7.4,-17.78,;-6.07,-17.01,;-4.74,-17.77,;-3.4,-16.99,;-2.06,-17.77,;-2.07,-19.32,;-3.41,-20.09,;-4.74,-19.32,;-6.07,-20.09,;-6.06,-21.63,;-7.4,-22.4,;-8.73,-21.63,;-7.4,-23.94,;-6.06,-24.71,;-4.72,-23.92,;-4.73,-22.39,;-3.4,-21.61,;-.73,-20.09,;-.74,-21.63,;.59,-22.4,;1.93,-21.64,;1.93,-20.1,;.6,-19.32,;-3.4,-15.46,;-2.07,-14.69,;-2.06,-13.15,;-3.4,-12.38,;-4.74,-13.16,;-4.73,-14.7,;-6.06,-15.47,)|
BDBM50357910 CC(=O)N1CCC(CC1)c1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(F)cccc3F)c2n1 |(19.42,-20.86,;18.08,-21.62,;18.07,-23.16,;16.75,-20.84,;15.41,-21.6,;14.08,-20.83,;14.09,-19.29,;15.42,-18.52,;16.76,-19.3,;12.77,-18.52,;12.77,-16.98,;11.43,-16.2,;11.43,-14.66,;12.77,-13.9,;12.77,-12.36,;11.43,-11.59,;10.1,-12.36,;10.1,-13.9,;8.77,-14.67,;10.1,-16.97,;8.76,-16.21,;7.43,-16.98,;7.43,-18.52,;6.1,-19.29,;8.77,-19.29,;8.77,-20.83,;7.43,-21.6,;6.1,-20.83,;7.44,-23.14,;8.77,-23.91,;10.11,-23.12,;10.1,-21.59,;11.43,-20.81,;10.09,-18.52,;11.43,-19.29,)|
BDBM50357911 [O-][n+]1ccc2c(cc(NC3CCNCC3)nc2c1-c1c(F)cccc1F)-c1ccc(F)cc1F |(23.08,-19.61,;24.41,-18.84,;24.41,-17.3,;25.74,-16.53,;27.08,-17.29,;28.41,-16.51,;29.75,-17.29,;29.75,-18.84,;31.08,-19.62,;32.42,-18.85,;33.75,-19.63,;35.08,-18.87,;35.09,-17.33,;33.76,-16.55,;32.41,-17.31,;28.41,-19.61,;27.08,-18.84,;25.75,-19.61,;25.75,-21.15,;27.08,-21.91,;28.41,-21.13,;27.09,-23.45,;25.76,-24.23,;24.42,-23.46,;24.42,-21.92,;23.08,-21.15,;28.41,-14.98,;29.75,-14.21,;29.75,-12.67,;28.42,-11.9,;28.41,-10.36,;27.08,-12.68,;27.08,-14.22,;25.75,-14.99,)|
BDBM50357912 [O-][n+]1ccc2c(cc(nc2c1-c1c(F)cccc1F)N1CCOCC1)-c1ccccc1Cl |(-7.92,-37.22,;-6.58,-36.45,;-6.58,-34.91,;-5.25,-34.14,;-3.92,-34.9,;-2.59,-34.12,;-1.25,-34.9,;-1.25,-36.45,;-2.59,-37.22,;-3.92,-36.45,;-5.25,-37.22,;-5.25,-38.75,;-6.58,-39.53,;-7.92,-38.76,;-6.58,-41.06,;-5.24,-41.83,;-3.91,-41.05,;-3.91,-39.52,;-2.58,-38.74,;.09,-37.22,;.08,-38.76,;1.4,-39.53,;2.74,-38.77,;2.75,-37.23,;1.42,-36.45,;-2.58,-32.59,;-1.25,-31.82,;-1.25,-30.28,;-2.58,-29.51,;-3.92,-30.29,;-3.91,-31.83,;-5.25,-32.6,)|
BDBM50357913 [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)N1CCNCC1)-c1ccccc1Cl |(6.31,-36.87,;7.64,-36.1,;7.64,-34.56,;8.97,-33.79,;10.31,-34.55,;11.64,-33.77,;12.98,-34.55,;12.98,-36.1,;11.64,-36.87,;10.3,-36.1,;8.98,-36.87,;8.98,-38.4,;7.64,-39.18,;6.31,-38.41,;7.65,-40.71,;8.98,-41.48,;10.32,-40.7,;10.31,-39.17,;11.64,-38.39,;14.3,-36.87,;14.29,-38.41,;15.62,-39.18,;16.96,-38.42,;16.97,-36.88,;15.63,-36.1,;11.64,-32.24,;12.98,-31.47,;12.98,-29.93,;11.64,-29.16,;10.31,-29.94,;10.31,-31.48,;8.98,-32.25,)|
BDBM50357914 [O-][n+]1ccc2c(cc(NC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl)-c1ccccc1Cl |(20.25,-36.83,;21.59,-36.06,;21.59,-34.52,;22.92,-33.75,;24.25,-34.51,;25.59,-33.73,;26.93,-34.51,;26.93,-36.06,;28.26,-36.83,;29.59,-36.07,;30.92,-36.85,;32.25,-36.09,;32.27,-34.55,;30.93,-33.77,;29.59,-34.53,;25.58,-36.83,;24.25,-36.06,;22.92,-36.83,;22.93,-38.37,;21.59,-39.14,;20.26,-38.37,;21.59,-40.68,;22.93,-41.45,;24.27,-40.66,;24.26,-39.13,;25.59,-38.35,;25.59,-32.2,;26.93,-31.43,;26.93,-29.89,;25.59,-29.12,;24.25,-29.9,;24.26,-31.44,;22.93,-32.21,)|
BDBM50357915 CN1C(C)(C)CC(CC1(C)C)Nc1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(4.35,-2.11,;3.01,-2.87,;2.99,-4.41,;4.53,-4.41,;3.76,-5.74,;1.66,-5.17,;.33,-4.39,;.33,-2.86,;1.67,-2.09,;.89,-.75,;2.44,-.75,;-1.01,-5.16,;-2.34,-4.38,;-2.34,-2.84,;-3.67,-2.06,;-3.67,-.52,;-2.34,.24,;-2.34,1.78,;-3.67,2.55,;-5.01,1.78,;-5,.24,;-6.33,-.53,;-5.01,-2.83,;-6.34,-2.07,;-7.67,-2.84,;-7.67,-4.38,;-9.01,-5.15,;-6.34,-5.15,;-6.33,-6.69,;-7.67,-7.46,;-9,-6.69,;-7.67,-9,;-6.33,-9.77,;-4.99,-8.98,;-5,-7.45,;-3.67,-6.67,;-5.01,-4.38,;-3.68,-5.15,)|