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2998 SMILES Strings for Aurora kinase A

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM47238 COc1cc(Nc2ncc3CN=C(c4c(F)cccc4OC)c4c(Cl)cccc4-c3n2)ccc1C(O)=O |t:11|
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4626 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5359 Brc1cnc(Nc2ccccn2)s1
BDBM5362 N#Cc1cnc(Nc2ccccn2)s1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
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,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM8066 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
BDBM11242 Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
BDBM12083 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3)c2C1
BDBM12084 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C)cc3)c2C1
BDBM12085 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(F)cc3)c2C1
BDBM12086 COc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(C)=O
BDBM12087 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C#N)c2C1
BDBM12088 CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1
BDBM12089 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
BDBM12090 Cc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1cccc2cccnc12
BDBM12091 CC(C)C(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
BDBM12092 CC(C)NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
BDBM12093 CC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
BDBM12094 O=C(Cc1ccccc1)Nc1[nH]nc2CN(Cc12)C(=O)Nc1ccccc1
BDBM12095 NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
BDBM12096 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1
BDBM12097 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1
BDBM12098 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1
BDBM12099 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1
BDBM12100 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r|
BDBM12103 CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
BDBM12104 CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1
BDBM12105 CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1
BDBM12106 CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C(C)(C)C)c2C1
BDBM12107 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
BDBM12108 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1
BDBM12109 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1
BDBM12110 CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1
BDBM12403 COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
BDBM12405 COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1
BDBM12406 COc1cc2c(Nc3ncc(NC(=O)c4ccccc4)cn3)ncnc2cc1OCCCN1CCOCC1
BDBM12407 COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
BDBM12408 COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
BDBM12409 COc1cc2c(Nc3cnc(NC(=O)c4ccc(C)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
BDBM12410 CCc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
BDBM12411 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
BDBM12412 COc1cc2c(Nc3cnc(NC(=O)c4ccncc4)nc3)ncnc2cc1OCCCN1CCOCC1
BDBM12413 CCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM12982 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)[C@H](F)c1ccccc1 |r|
BDBM12983 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)[C@H](O)c1ccccc1 |r|
BDBM12984 C[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
BDBM12985 CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
BDBM12986 C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
BDBM12987 CO[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
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
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM14192 OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1
BDBM14210 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
BDBM14800 OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
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,)|
BDBM15991 OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
BDBM16005 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM16011 OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM22984 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
BDBM25690 Fc1cccc(Nc2ncc(Br)s2)c1
BDBM25691 Cc1cccc(Nc2ncc(Br)s2)c1
BDBM25692 FC(F)(F)c1cccc(Nc2ncc(Br)s2)c1
BDBM25693 COc1cccc(Nc2ncc(Br)s2)c1
BDBM25694 CSc1cccc(Nc2ncc(Br)s2)c1
BDBM25695 Brc1cnc(Nc2cccc(c2)C#N)s1
BDBM25696 CCOC(=O)c1cccc(Nc2ncc(Br)s2)c1
BDBM25697 OC(=O)c1cccc(Nc2ncc(Br)s2)c1
BDBM25698 COCCNC(=O)c1cccc(Nc2ncc(Br)s2)c1
BDBM25699 CNC(=O)c1cccc(Nc2ncc(Br)s2)c1
BDBM25700 Fc1ccccc1Nc1ncc(Br)s1
BDBM25701 Cc1ccccc1Nc1ncc(Br)s1
BDBM25702 FC(F)(F)c1ccccc1Nc1ncc(Br)s1
BDBM25656 Fc1ccc(Nc2nccs2)cc1
BDBM25657 Fc1ccc(Nc2ncc(Cl)s2)cc1
BDBM25703 COc1ccccc1Nc1ncc(Br)s1
BDBM25704 Fc1ccc(Nc2ncc(Br)s2)c(F)c1
BDBM25705 Fc1ccc(F)c(Nc2ncc(Br)s2)c1
BDBM25706 Clc1ccc(Nc2ncc(Br)s2)cc1Cl
BDBM25658 Fc1ccc(Nc2ncc(Br)s2)cc1
BDBM25659 Fc1ccc(Nc2nc(Br)cs2)cc1
BDBM25660 Fc1ccc(Nc2ncc(I)s2)cc1
BDBM25661 CN(c1ncc(Br)s1)c1ccc(F)cc1
BDBM25707 Clc1cc(Cl)cc(Nc2ncc(Br)s2)c1
BDBM25708 Cc1cc(C)cc(Nc2ncc(Br)s2)c1
BDBM25709 FC(F)(F)c1cc(Nc2ncc(Br)s2)cc(c1)C(F)(F)F
BDBM25710 Nc1ncc(Br)s1
BDBM25662 Brc1cnc(Nc2ccccc2)s1
BDBM25663 Clc1ccc(Nc2ncc(Br)s2)cc1
BDBM25664 Brc1cnc(Nc2ccc(Br)cc2)s1
BDBM25665 Brc1cnc(Nc2ccc(I)cc2)s1
BDBM25711 CC(=O)Nc1ncc(Br)s1
BDBM25712 Brc1cnc(NC(=O)c2ccccc2)s1
BDBM25713 Brc1cnc(NC(=O)Nc2ccccc2)s1
BDBM25714 Brc1cnc(NCCc2ccccc2)s1
BDBM25666 Cc1ccc(Nc2ncc(Br)s2)cc1
BDBM25667 FC(F)(F)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25668 Brc1cnc(Nc2ccc(cc2)C#N)s1
BDBM25669 Oc1ccc(Nc2ncc(Br)s2)cc1
BDBM25715 Brc1cnc(Nc2cccc3ccccc23)s1
BDBM25717 Brc1cnc(Nc2cccnc2)s1
BDBM25718 Brc1cnc(Nc2ccncc2)s1
BDBM25720 N#Cc1cnc(Nc2ccc(CN3CCOCC3)cn2)s1
BDBM25518 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r|
BDBM25521 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1NC(C)=O)c1ccccc1 |r|
BDBM25670 COc1ccc(Nc2ncc(Br)s2)cc1
BDBM25671 FC(F)(F)Oc1ccc(Nc2ncc(Br)s2)cc1
BDBM25672 Brc1cnc(Nc2ccc(Oc3ccccc3)cc2)s1
BDBM25721 CNC(=O)N1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
BDBM25722 CN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
BDBM25723 CCN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
BDBM25673 Brc1cnc(Nc2ccc(Oc3ccncc3)cc2)s1
BDBM25674 CC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25675 [O-][N+](=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25724 OCCN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
BDBM25676 Nc1ccc(Nc2ncc(Br)s2)cc1
BDBM25677 Brc1cnc(Nc2ccc(NC(=O)c3ccccc3)cc2)s1
BDBM25678 CC(=O)Nc1ccc(Nc2ncc(Br)s2)cc1
BDBM25679 CCOC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25680 OC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25681 CNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM25682 OCCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25683 COCCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25684 COCC(C)NC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25685 COCCN(C)C(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25686 CN(C)CCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25687 CCN(CC)CCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25688 Brc1cnc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)s1
BDBM25689 Brc1cnc(Nc2ccc(cc2)C(=O)NCCN2CCCC2)s1
BDBM24711 Cc1cc(n[nH]1)-c1nc2cc3c(NC(=O)C3(C)C)cc2[nH]1
BDBM24712 CCN1C(=O)C(C)(C)c2cc3nc([nH]c3cc12)-c1cc(C)[nH]n1
BDBM24466 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
BDBM24713 C1Cc2c([nH]c3ccccc23)-c2n[nH]cc12
BDBM24714 Cc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
BDBM24715 C1CC1c1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
BDBM24716 CCOC(=O)c1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
BDBM24717 OCc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
BDBM24718 Cc1cc(n[nH]1)-c1cc2ccccc2[nH]1
BDBM24719 Cc1[nH]nc-2c1Cc1c-2[nH]c2ccccc12
BDBM24720 Cc1[nH]nc-2c1CCCc1c-2[nH]c2ccccc12
BDBM24721 CCN1C(=O)C(C)(C)c2cc3[nH]c4-c5n[nH]c(C)c5CCCc4c3cc12
BDBM24722 Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3c(NC(=O)C3(C)C)cc12
BDBM24723 Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3NC(=O)C(C)(C)c3cc12
BDBM24637 c1cc(n[nH]1)-c1nc2ccccc2[nH]1
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27077 CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
BDBM27078 O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
BDBM27079 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
BDBM27080 Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
BDBM27081 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
BDBM27082 Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
BDBM27083 Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
BDBM27084 O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
BDBM27085 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
BDBM27086 O=C(NC1CCOCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
BDBM27087 O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
BDBM27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
BDBM27351 Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26272 COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26273 COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26274 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26275 COc1cc2c(Nc3cc(CC(=O)Nc4ccc(F)cc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26276 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26277 COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26278 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(Cl)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26279 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C#N)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26280 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26281 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(O)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26282 COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1
BDBM26283 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C(F)(F)F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM26284 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
BDBM26285 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO |r|
BDBM26286 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCN(CCO)CC1
BDBM26287 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(O)CC1
BDBM26288 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CCO)CC1
BDBM26289 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
BDBM26290 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCNCCO
BDBM26291 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO
BDBM26292 CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
BDBM26293 CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
BDBM26294 CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
BDBM26295 CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
BDBM26296 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C
BDBM26297 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
BDBM26298 CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
BDBM26299 OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 |r|
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM26301 CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM26302 OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 |r|
BDBM26303 COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
BDBM26304 CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC
BDBM26305 COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
BDBM26306 CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
BDBM26307 OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1 |r|
BDBM26309 FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(CCNc2ncnc3ccsc23)cc1
BDBM26310 FC(F)(F)c1cccc(NC(=O)c2ccc(CCNc3ncnc4ccsc34)cc2)c1
BDBM26311 FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1
BDBM26314 FC(F)(F)c1cccc(NC(=O)Nc2cn(CCNc3ncnc4ccsc34)nn2)c1
BDBM26315 FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
BDBM26316 FC(F)(F)c1cccc(NC(=O)Nc2nc(CCNc3ncnc4ccsc34)cs2)c1
BDBM26320 O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
BDBM26326 Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31532 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM31533 CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM31534 Cn1nc(C(=O)NC2CC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM31535 Cn1nc(C(=O)NCCO)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM31536 Cn1nc(C(=O)NC2CCCC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM31537 Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM31538 Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM31539 CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
BDBM31540 CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
BDBM31541 CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
BDBM31542 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c12
BDBM31543 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2(C)C
BDBM31544 CN1CCN(CC1)c1ccc(Nc2ncc3CC(C)(C)c4c(nn(C)c4-c3n2)C(N)=O)cc1
BDBM31545 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
BDBM31546 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCN(C)CC3)nc-21
BDBM31547 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCOCC3)nc-21
BDBM31548 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCOCC3)nc-21
BDBM31549 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc-21
BDBM31550 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc-21
BDBM31833 Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)cc1
BDBM31834 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
BDBM31835 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)NC3CC3)n2)cc1
BDBM31836 CC(=O)N1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
BDBM31551 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCN(C)CC4)cc3)nc-21
BDBM31552 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCN(C)CC4)c3)nc-21
BDBM31553 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCOCC4)cc3)nc-21
BDBM31554 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCOCC4)c3)nc-21
BDBM31555 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N(C)C)nc-21
BDBM31556 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N(C)C)nc-21
BDBM31557 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN(C)C)cc3)nc-21
BDBM31558 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN(C)C)c3)nc-21
BDBM31837 CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
BDBM31838 Cc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
BDBM31839 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3O)n2)cc1
BDBM31840 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(O)c3)n2)cc1
BDBM31841 Oc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
BDBM31842 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3F)n2)cc1
BDBM31843 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(F)c3)n2)cc1
BDBM31844 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccc(F)cc3)n2)cc1
BDBM31845 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(Cl)c3)n2)cc1
BDBM31846 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1
BDBM31847 Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4)cc3)n2)cc1
BDBM31848 Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1
BDBM31849 Cc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
BDBM31850 COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)cc3)n2)cc1
BDBM31851 Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1
BDBM31852 Fc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1
BDBM31853 Oc1ccc(Nc2ncc(F)c(Nc3ccc(O)cc3)n2)cc1
BDBM31854 Oc1ccc(Nc2cc(Cl)nc(Nc3ccc(O)cc3)n2)cc1
BDBM31855 Cc1cc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)n1
BDBM31856 Cc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)c1C
BDBM31857 Oc1ccc(Nc2ccnc(Nc3ccc(O)cc3)n2)cc1
BDBM31858 Oc1ccc(Nc2ncc(Cl)c(Nc3ccc(O)cc3)n2)cc1
BDBM31859 Oc1ccc(Nc2ncc(c(Nc3ccc(O)cc3)n2)C(F)(F)F)cc1
BDBM31860 Oc1ccc(Nc2ncc(C#N)c(Nc3ccc(O)cc3)n2)cc1
BDBM31861 Cc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
BDBM31862 CCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
BDBM31863 COc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
BDBM31864 COc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
BDBM31865 COc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
BDBM31866 Cc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
BDBM31867 Cc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
BDBM31868 Cc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
BDBM31869 NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
BDBM31870 CN(C)C(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
BDBM31871 CCCNC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
BDBM31872 CC(C)NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
BDBM31873 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3)n2)cc1
BDBM31874 COc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
BDBM31875 COc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1
BDBM31876 COc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
BDBM31877 Cc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
BDBM31878 Cc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
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|
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36465 CCCCN(C)c1nc(NCCc2ccccc2OC)nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)n1
BDBM36466 CCCCN(C)c1nc(NCCc2c[nH]c3ncccc23)nc(NCCc2ccccc2OC)n1
BDBM36467 COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(n1)N(C)[C@@H](C)c1ccccc1
BDBM36468 COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(Nc2ccc3ncccc3c2)n1
BDBM36469 COc1cc(Nc2nc(NCCc3ccccc3F)nc(Nc3ccc4ncccc4c3)n2)ccc1C
BDBM36470 COc1ccc(Nc2nc(NC(Cc3c[nH]c4ncccc34)C(N)=O)nc(Nc3ccc4ncccc4c3)n2)cc1OC
BDBM36471 CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM35641 Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
BDBM35642 Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
BDBM35643 Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
BDBM35644 CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
BDBM35645 Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
BDBM35646 Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
BDBM35647 Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
BDBM35648 Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccccc1 |r|
BDBM35650 Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35651 Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C |r|
BDBM35653 Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35654 Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C |r|
BDBM35655 Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35656 Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35657 Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35658 Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35659 CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35660 Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35661 Cc1cnc(Nc2cccc3CCCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35662 Cc1cnc(Nc2cccc3OCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35663 Cc1cnc(Nc2cccc3OC(F)(F)Oc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35664 Cc1cnc(Nc2cccc3OCCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
BDBM35665 COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1OC |r|
BDBM52755 CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O
BDBM67628 N(c1ccccc1)c1ccnc(Nc2ccccc2)n1
BDBM50004209 COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1
BDBM50004211 COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(C)(=O)=O)cc1
BDBM50004213 COC(=O)c1ccc(Nc2nc(NCCN3CCCCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
BDBM50004222 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(Cl)c2)n1
BDBM50004217 CNC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
BDBM50004219 COc1cccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1
BDBM50004224 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(NC(C)=O)cc2)n1
BDBM50004226 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)N2CC(=O)N(CC2=O)C2CC2)n1
BDBM50004230 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C#N)n1
BDBM50004232 Cc1cc(Nc2cc(nc(Nc3ccc(cc3)[N+]([O-])=O)n2)N2CCOCC2)n[nH]1
BDBM50004206 OC(C(O)C(O)=O)C(O)=O.CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(\C=C\c2ccccc2)n1
BDBM81552 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12
BDBM86597 COC1CN(C)CCN1c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
BDBM86598 CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
BDBM86599 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCC(O)CC3)nc12
BDBM86600 CC1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
BDBM86601 CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
BDBM86602 CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
BDBM86603 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4cccc(F)c4)cc3)nc12
BDBM86604 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)cc3)nc12
BDBM86605 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4cccc(Cl)c4)cc3)nc12
BDBM86606 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C(F)(F)F
BDBM86607 CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C(F)(F)F
BDBM86608 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)nc12
BDBM86609 CN1CCN(CC1)C(=O)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1
BDBM86610 CN1CCN(Cc2cccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C)c4n3)c2)CC1
BDBM86611 CN1CCN(CC1)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1
BDBM86612 CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12
BDBM86613 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(O)CC4)c(c3)C(F)(F)F)nc12
BDBM86614 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)nc12
BDBM86615 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C
BDBM86616 COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)ccc1C(=O)N1CCN(O)CC1
BDBM86617 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C)c4n3)cc2C(F)(F)F)CC1
BDBM86618 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C(C)C)c4n3)cc2C(F)(F)F)CC1
BDBM86619 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C5CCCC5)c4n3)cc2C(F)(F)F)CC1
BDBM86620 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5Oc4n3)cc2C(F)(F)F)CC1
BDBM86621 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5Sc4n3)cc2C(F)(F)F)CC1
BDBM86622 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5cccc(C)c5N(C)c4n3)cc2C(F)(F)F)CC1
BDBM86623 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5cccc(F)c5N(C)c4n3)cc2C(F)(F)F)CC1
BDBM86624 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccc(C)cc5N(C)c4n3)cc2C(F)(F)F)CC1
BDBM86625 CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccc(F)cc5N(C)c4n3)cc2C(F)(F)F)CC1
BDBM84649 CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
BDBM84650 CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
BDBM84651 OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
BDBM87047 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
BDBM87048 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1
BDBM87049 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cc3ccccc3)n2)cc1
BDBM87050 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1
BDBM87051 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3OC(F)(F)F)n2)cc1
BDBM87052 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1
BDBM87053 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM87054 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1
BDBM87055 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1
BDBM92790 NOc1ccccc1Nc1nccc(Nc2ccccc2C(O)=O)n1
BDBM92835 Clc1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM92836 NC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM92837 NS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM92838 Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1Cl
BDBM92839 Fc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1ccccc1Cl
BDBM92840 OCCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM92841 NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
BDBM92842 NS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
BDBM92843 Clc1ccccc1Nc1ccnc(Nc2ccc(cc2)-c2nnn[nH]2)n1
BDBM92844 Fc1cnc(Nc2ccc(cc2)-c2nnn[nH]2)nc1Nc1ccccc1Cl
BDBM92845 Oc1cc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)ccc1-c1nnn[nH]1
BDBM92846 Clc1ccccc1Nc1nc(Nc2ccc(cc2)-c2nnn[nH]2)ncc1Cl
BDBM92791 OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2C(O)=O)n1
BDBM92792 COC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(=O)OC)n2)cc1
BDBM92793 NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1
BDBM92795 OC(=O)c1ccc(Nc2ccnc(Nc3ccc(cc3)C(O)=O)n2)cc1
BDBM92796 Cc1cnc(Nc2ccc(cc2)C(O)=O)nc1Nc1ccccc1C(O)=O
BDBM92797 Cc1cc(Nc2ccccc2C(O)=O)nc(Nc2ccc(cc2)C(O)=O)n1
BDBM92799 OC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3C(O)=O)n2)cc1
BDBM92800 OC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
BDBM92801 Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl
BDBM92802 OC(=O)c1cccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)c1
BDBM92803 OC(=O)c1cccc(Nc2ncc(F)c(Nc3ccccc3C(O)=O)n2)c1
BDBM92804 OC(=O)c1ccc(Nc2nc(Cl)c(Cl)c(Nc3ccccc3C(O)=O)n2)cc1
BDBM92805 OC(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(O)=O)n2)cc1
BDBM92806 Nc1cnc(Nc2ccc(cc2)C(O)=O)nc1Nc1ccccc1C(O)=O
BDBM92807 Nc1cc(Nc2ccccc2C(O)=O)nc(Nc2ccc(cc2)C(O)=O)n1
BDBM92809 FC(F)(F)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
BDBM92810 OC(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3Cl)n2)cc1
BDBM92812 COc1ccccc1Nc1ccnc(Nc2ccc(cc2)C(O)=O)n1
BDBM92813 COc1ccccc1Nc1ccnc(Nc2ccccc2)n1
BDBM92814 N#Cc1ccccc1Nc1ccnc(Nc2ccccc2)n1
BDBM92817 OC(=O)Cc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM92818 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)c(O)c1
BDBM92819 Fc1ccccc1Nc1ccnc(Nc2ccccc2)n1
BDBM92820 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3I)n2)cc1
BDBM92822 OC(=O)c1ccccc1Nc1nccc(Nc2ccccc2Cl)n1
BDBM92824 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3-c3ccccc3)n2)cc1
BDBM92825 CN(c1ccnc(Nc2ccc(cc2)C(O)=O)n1)c1ccccc1Cl
BDBM92826 CCN(c1ccnc(Nc2ccc(cc2)C(O)=O)n1)c1ccccc1Cl
BDBM92827 OC(=O)c1ccccc1Nc1nccc(Nc2ccccc2F)n1
BDBM92828 Clc1ccccc1Nc1ccnc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)n1
BDBM92829 CN(C)CCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM92830 COCCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM92831 CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM92832 CC(=O)Nc1cccc(Nc2nccc(Nc3ccccc3Cl)n2)c1
BDBM92833 Clc1ccccc1Nc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1
BDBM92834 COc1cc(Nc2nccc(Nc3ccccc3Cl)n2)ccc1C(O)=O
BDBM92867 Cc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
BDBM92868 Cc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
BDBM92869 CCN(CC)CCCOc1ccc2c(Nc3ccc(C)c(Nc4ncc(cn4)-c4cccnc4)c3)ncnc2c1
BDBM92870 Cc1ccc(Nc2ncnc3cc(OCCCN4CCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1
BDBM92871 CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)ccc34)ccc12
BDBM92872 CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCCC5)ccc34)ccc12
BDBM92873 CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN5CCCC5)ccc34)ccc12
BDBM92874 CCOC(=O)c1csc2cc(Nc3ncnc4cc(OCCCN(CC)CC)ccc34)ccc12
BDBM93225 Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)|
BDBM155572 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(=O)N3CCC3)ccc2F)n[nH]1
BDBM155566 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(c3F)C(F)(F)F)C(O)=O)ccc2F)n[nH]1
BDBM155565 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1
BDBM155574 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3ncon3)ccc2F)n[nH]1
BDBM155575 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1
BDBM155573 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3noc(C)n3)ccc2F)n[nH]1
BDBM155576 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nc(C)no3)ccc2F)n[nH]1
BDBM155567 COc1ccc(CC2(CCN(CC2)C(=O)c2cccc(Cl)c2F)C(O)=O)nc1Nc1cc(C)[nH]n1
BDBM155568 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(O)=O)ccc2Cl)n[nH]1
BDBM155569 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(O)=O)ccc2F)n[nH]1
BDBM155570 CNC(=O)C1(Cc2ccc(F)c(Nc3cc(C)[nH]n3)n2)CCN(CC1)C(=O)c1cccc(Cl)c1F
BDBM155571 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(=O)NC3CC3)ccc2F)n[nH]1
BDBM50004220 COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
BDBM50004221 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccccc2Cl)n1
BDBM50004225 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50004228 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)[N+]([O-])=O)n1
BDBM50004234 COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1Cl
BDBM50004236 COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
BDBM50004205 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM50004207 COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
BDBM50004208 COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCNCC2)cc1
BDBM50004210 COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2C[C@H](C)O[C@H](C)C2)cc1 |r|
BDBM50004212 COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
BDBM50004214 COC(=O)c1ccc(Nc2nc(NCCN3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
BDBM50004215 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C(O)=O)n1
BDBM50004216 CC(C)OC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
BDBM50004218 COc1ccccc1Nc1nc(Nc2cc(C)[nH]n2)cc(n1)N1CCN(C)CC1
BDBM50004223 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)cc2)n1
BDBM50004231 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
BDBM50004229 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(c2)[N+]([O-])=O)n1
BDBM50004237 COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1
BDBM47167 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM138348 NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
BDBM109206 CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)c2ccc(Nc3ncc4CN=C(c5cc(Cl)ccc5-c4n3)c3c(F)cccc3OC)cc2OC)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,c:9,54|
BDBM109207 [#6]-[#6]-[#7]-1\[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\[#6]2=[#7+](-[#6]-[#6])-c3ccc(cc3C2([#6])[#6])S([#8-])(=O)=O)C([#6])([#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(-[#7]-c3ncc4-[#6]-[#7]=[#6](-c5cc(Cl)ccc5-c4n3)-c3c(F)cccc3-[#8]-[#6])cc2-[#8]-[#6])-[#6](-[#7])=O)c2cc(ccc-12)S([#8-])(=O)=O |c:9,132|
BDBM109208 CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@]2(Cc3cccc(Nc4nccs4)n3)CCC(CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:42.43,38.40,wD:42.44,c:9,(-16.27,-52.94,;-14.86,-52.31,;-14.7,-50.78,;-15.85,-49.75,;-17.35,-50.07,;-18.44,-48.98,;-19.93,-49.38,;-21.02,-48.29,;-22.51,-48.69,;-23.6,-47.6,;-25.12,-47.84,;-25.82,-49.22,;-27.36,-49.22,;-25.82,-46.47,;-27.3,-46.07,;-27.7,-44.59,;-26.61,-43.5,;-25.13,-43.89,;-24.73,-45.38,;-23.36,-46.08,;-22.27,-44.99,;-21.87,-46.48,;-27.01,-42.01,;-27.41,-40.52,;-25.52,-41.61,;-28.5,-42.41,;-15.22,-48.34,;-15.22,-46.8,;-16.56,-47.57,;-16.56,-46.03,;-17.89,-45.26,;-17.89,-43.72,;-16.56,-42.95,;-19.22,-42.95,;-19.22,-41.41,;-20.56,-40.64,;-20.56,-39.1,;-21.89,-38.33,;-21.89,-36.79,;-23.22,-36.02,;-23.22,-34.48,;-21.89,-33.71,;-24.56,-33.71,;-24.56,-35.25,;-25.89,-36.02,;-25.89,-37.56,;-27.23,-38.34,;-28.56,-37.57,;-28.56,-36.03,;-29.89,-35.26,;-29.89,-33.72,;-31.14,-32.81,;-30.66,-31.35,;-29.12,-31.35,;-28.65,-32.81,;-27.22,-35.26,;-23.22,-32.94,;-23.22,-31.4,;-24.56,-30.63,;-25.89,-31.4,;-25.89,-32.94,;-24.56,-29.09,;-25.89,-28.32,;-27.22,-29.09,;-28.56,-28.32,;-28.56,-26.78,;-27.22,-26.01,;-27.22,-24.47,;-25.89,-26.78,;-24.56,-26.01,;-20.56,-36.02,;-19.22,-36.79,;-20.56,-34.48,;-13.69,-48.51,;-12.55,-47.48,;-11.08,-47.95,;-10.76,-49.46,;-11.91,-50.49,;-13.37,-50.01,;-9.94,-46.92,;-8.85,-45.83,;-11.03,-45.83,;-8.85,-48.01,)|
BDBM109209 OC(=O)[C@]1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:3.3,(2.79,-10.07,;2.79,-8.53,;4.12,-7.76,;1.46,-7.76,;1.46,-9.3,;.12,-10.07,;.12,-11.61,;-1.21,-12.38,;-2.54,-11.61,;-2.54,-10.07,;-3.88,-9.3,;-3.88,-7.76,;-5.12,-6.85,;-4.65,-5.39,;-3.11,-5.39,;-2.63,-6.85,;-1.21,-9.3,;2.79,-6.99,;2.79,-5.45,;1.46,-4.68,;.12,-5.45,;.12,-6.99,;1.46,-3.14,;.12,-2.37,;-1.21,-3.14,;-2.54,-2.37,;-2.54,-.83,;-1.21,-.05,;-1.21,1.49,;.12,-.83,;1.46,-.06,)|
BDBM116320 COc1ccccc1C(CNS(C)(=O)=O)Nc1ncnc2c(cccc12)C(N)=O
BDBM116321 NCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
BDBM116322 NCCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
BDBM116323 NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
BDBM116324 Cc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
BDBM116898 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4n[nH]c5ccc(Cl)cc45)c3)ncnc12
BDBM116899 CC(N)c1cccc(NC(=O)c2ccoc2CN2CCOCC2)c1
BDBM116900 COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CN4CCOCC4)cc23)C(N)=O)c1
BDBM116901 NC(=O)c1cccc2c(NCc3cccc(c3)-n3c(=O)[nH]c4ccccc4c3=O)ncnc12
BDBM116902 NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(Nc4ccccn4)c3)ncnc12
BDBM116903 CC(C)N1CCC(CC1)C(=O)Nc1cccc(CNC2=NC=NC3C(=CCC=C23)C(N)=O)c1 |c:22,25,t:20,28|
BDBM116904 NC(=O)c1cccc2c(NCc3cccc(Nc4ccc5ccccc5n4)c3)ncnc12
BDBM116905 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CNC(=O)C2)c1
BDBM116906 COc1ccc(cc1)C(=O)Nc1cccc(CNc2c(cnc3c(cccc23)C(N)=O)C(N)=O)c1
BDBM116907 NC(=O)c1cccc2c(Nc3cccc(CNC(=O)C4CCCNC4)c3)ncnc12
BDBM116908 CCN(CC)CCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116909 CN(C)CCCOC1=CC(=CCC1)C(=O)N\C=C\C(CNc1ncnc2c(cccc12)C(N)=O)CC=C |c:9,t:7|
BDBM116910 CCN(CC)CCOC1CC=C(C=C1)C(O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 |c:10,12|
BDBM116911 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4n[nH]c5ccc(Br)cc45)c3)ncnc12
BDBM116912 COC1CC=C(C=C1)C(=O)Nc1cccc(CNc2ncnc3=C(CC(CN4CCN(C)CC4)C=c23)C(N)=O)c1 |c:4,6,t:23,36|
BDBM116913 COc1ccc(cc1)C(=O)NCc1cccc(Nc2ncnc3c(cc(O)cc23)C(N)=O)c1
BDBM116914 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)-n2cccc2)c1 |r|
BDBM116915 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(C)ccn2)c1
BDBM116916 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccc(F)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 |r|
BDBM116917 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2nc(cs2)C(C)(C)C)c1 |r|
BDBM116918 CC(C)c1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116919 CNc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116920 CCN(CC)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
BDBM116921 Cc1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116922 Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116923 CN(C)c1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3=C(CCC=c23)C(N)=O)c1 |t:24,28|
BDBM116924 Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116925 COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
BDBM116926 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12
BDBM116927 COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CCCCO)cc23)C(N)=O)c1
BDBM116928 CCOc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116929 NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCCC4)c3)ncnc12
BDBM116930 CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116931 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OC(F)(F)Oc5c4)c3)ncnc12
BDBM116932 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)C(F)(F)F)c3)ncnc12
BDBM116933 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Br)c4)c3)ncnc12
BDBM116934 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12
BDBM116935 COc1ccc(cc1)C(=O)Nc1cccc(CN(C)c2ncnc3c(cccc23)C(N)=O)c1
BDBM116936 NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCNC4)c3)ncnc12
BDBM116937 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
BDBM116938 NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CCC(C=C4)N4CCOCC4)c3)ncnc12 |c:23,t:19|
BDBM116939 COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116940 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
BDBM116941 COc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116942 CC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
BDBM116943 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4)C#N)c3)ncnc12
BDBM116944 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)ncnc12
BDBM116945 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
BDBM116946 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4OCCO)c3)ncnc12
BDBM116947 COc1ccc(cc1)C(=O)Nc1ccc(F)c(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116326 NC(=O)c1cccc2c(NC3CCCNC3)ncnc12
BDBM116327 NC(=O)c1cccc2c(N[C@H]3CCCNC3)ncnc12 |r|
BDBM116328 NC(=O)c1cccc2c(NC3CCNCC3)ncnc12
BDBM116757 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)c1
BDBM116758 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CCCC2)c1 |r|
BDBM116759 CCOC(=O)c1ccc(cn1)C(=O)NC1=CCCC(=C1)[C@H](C)Nc1ncnc2c(cccc12)C(N)=O |r,c:19,t:15|
BDBM116760 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncnc2)c1 |r|
BDBM116761 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM116948 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
BDBM116949 COc1ccc(cc1)C(=O)Nc1cc(CNc2ncnc3c(cccc23)C(N)=O)ccc1C
BDBM116950 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
BDBM116951 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C#N)c3)ncnc12
BDBM116952 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)CC1
BDBM116953 COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(F)cc23)C(N)=O)c1
BDBM116954 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)c3)ncnc12
BDBM116955 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116956 COCC[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 |r|
BDBM116957 NC(=O)c1cccc2c(NCc3cccc(Nc4nc5ccc(cc5[nH]4)C(F)(F)F)c3)ncnc12
BDBM116958 NC(=O)c1cccc2c(NCC3CC=CC(C3)=NC(O)c3ccn[nH]3)ncnc12 |w:17.18,c:13|
BDBM116959 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
BDBM116960 NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12
BDBM116762 CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2nncc3c(cccc23)C(N)=O)c1
BDBM116765 CC(C)CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116767 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
BDBM116768 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 |r|
BDBM116769 COC1=CC=CCC1C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O |c:4,t:2|
BDBM116770 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
BDBM116771 CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116772 CN(C[C@@H](Nc1ncnc2=C(CCC=c12)C(N)=O)c1ccccc1)C1CC1 |r,t:9,13|
BDBM116773 COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(CN(C)C(=O)OC(C)(C)C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116775 CC(C)c1csc(n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116776 COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(CCN(C)C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116777 CN(CCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CC(=CCC1)[N+]([O-])=O)CC=C |c:23,t:21|
BDBM116778 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
BDBM116779 NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)cc3)ncnc12
BDBM116780 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(OC)c1
BDBM116781 CNC[C@H](Cc1ccccc1)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116782 COc1ccc(C(N)=O)c2ncnc(NCc3ccccc3)c12
BDBM116783 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
BDBM116784 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4csc(N)n4)c3)ncnc12
BDBM116785 CN(C)CC(Nc1ncnc2c(cc(OCc3ccc(F)cc3)cc12)C(N)=O)c1cccc(F)c1
BDBM116786 CNCC(Nc1ncnc2c(cc(OCCCN(C)C)cc12)C(N)=O)c1ccccc1
BDBM116788 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c[nH]c5ccccc45)c3)ncnc12
BDBM116789 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(CN5CCCC5)cc4)c3)ncnc12
BDBM116790 CC(Nc1ncnc2c(cc(F)cc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
BDBM116791 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
BDBM116792 NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12 |r|
BDBM116793 COc1ccc(cc1F)C(=O)Nc1cccc(CNc2ccnc3c(cccc23)C(N)=O)c1
BDBM116794 COCCNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116795 COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccccc3OC)c2c1
BDBM116796 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(OCCN5CCOCC5)c4)c3)ncnc12
BDBM116797 CN1CCN(CCOc2cccc(NC(=O)Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)c2)CC1
BDBM116798 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)N2CCC(F)(F)C2)c1 |r|
BDBM116799 COCCNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116800 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCOCC4)c3)ncnc12
BDBM116801 CC(C)CNc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116337 NC(=O)c1cccc2c(NCc3ccco3)ncnc12
BDBM116455 NC(=O)c1cccc2c(ncnc12)N1CCOCC1
BDBM116338 NC(=O)c1cccc2c(NCc3cccs3)ncnc12
BDBM116961 COc1cccc(OC)c1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116962 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4F)c3)ncnc12
BDBM116963 CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
BDBM116964 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4cc(ccc4F)C(F)(F)F)c3)ncnc12
BDBM116965 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(N)c1 |r|
BDBM116966 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)c(F)c2)c1 |r|
BDBM116967 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1
BDBM116968 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(O)c4ccccc4)c3)ncnc12
BDBM116969 NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
BDBM116970 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O
BDBM116971 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCC1)Nc1ncnc2c(cccc12)C(N)=O
BDBM116972 COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(F)cc12)C(N)=O
BDBM116973 COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@H](CCN1CCCC1)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116974 COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)NC1=NC=NC2C(=CC(Cl)C=C12)C(N)=O |c:25,28,t:23,32|
BDBM116975 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)N4CCCCC4)c3)ncnc12
BDBM116976 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O
BDBM116977 COc1ccc(cc1)C(=O)Nc1cccc(c1)[C@@H](CCN1CCCCC1)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116978 CN(C)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)c2c1
BDBM116979 COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(OCCCN(C)C)cc23)C(N)=O)c1
BDBM116980 NC(=O)c1cc(OCCN2CCOCC2)cc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
BDBM116458 NC(=O)c1cccc2c(NCC3CCCO3)ncnc12
BDBM116802 NC(=O)C1=c2ncnc(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccccc4)c3)c2=CCC1 |c:3,37|
BDBM116803 COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116804 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C(F)(F)F)c1
BDBM116805 CC(C)OC(=O)N(C)CC(Nc1ncnc2=C(CCC=c12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 |t:15,19|
BDBM116806 NC(=O)c1cccc2c(NC(CO)c3cccc(NC(O)c4ccc(Br)cc4)c3)ncnc12
BDBM116807 NCCOc1ccc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c12
BDBM116808 NC(=O)c1cccc2c(NCc3cc(F)c(F)c(F)c3)ncnc12
BDBM116810 COc1ccc(cc1F)C(=O)NC1=CCCC(=C1)[C@H](C)Nc1ncnc2c(cccc12)C(N)=O |r,c:17,t:13|
BDBM116811 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1 |r|
BDBM116812 NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(O)c4cc(n[nH]4)C4CC4)c3)ncnc12
BDBM116813 NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12
BDBM116814 NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C(F)(F)F)c3)ncnc12
BDBM116815 CCOC(=O)c1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1
BDBM116816 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCCO)Nc1ncnc2c(cccc12)C(N)=O
BDBM116817 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5cc[nH]c5c4)c3)ncnc12
BDBM116818 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
BDBM116819 NC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12
BDBM116820 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cn[nH]c4N)c3)ncnc12
BDBM116821 COCC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 |r|
BDBM116822 NCc1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1
BDBM116823 NC(=O)c1cccc2c(NCc3cccc(Nc4cc(ccn4)C#N)c3)ncnc12
BDBM116824 COc1ccc(cc1)C(O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1F
BDBM116825 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4[nH]nc5CCCCc45)c3)ncnc12
BDBM116826 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc5cc[nH]c45)c3)ncnc12
BDBM116827 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4)-c4ncc[nH]4)c3)ncnc12
BDBM116828 Cc1cc(ccc1N1CCOCC1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116829 CNCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(O)c2cc(n[nH]2)C2CC2)c1
BDBM116830 NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
BDBM116831 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc5cc(Cl)ccc5[nH]4)c3)ncnc12
BDBM116832 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3)ncnc12
BDBM116833 NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(=O)C4CC4(F)F)c3)ncnc12
BDBM116834 COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116835 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCCOc5c4)c3)ncnc12
BDBM116836 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
BDBM116837 Cn1ccc2cc(ccc12)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116838 COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(CO)cc23)C(N)=O)c1
BDBM116839 CCOC(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116840 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc5[nH]ccc45)c3)ncnc12
BDBM116841 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(C)C)c1 |r|
BDBM116842 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(CO)cc4)c3)ncnc12
BDBM116843 Cc1ccnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
BDBM116844 CC(Nc1ncnc2c(cc(Cl)cc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
BDBM116845 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
BDBM116846 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2(CC2)C(F)(F)F)c1
BDBM116847 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cnc(cn2)C(F)(F)F)c1 |r|
BDBM116848 NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(CC#N)cn4)c3)ncnc12
BDBM116849 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)ncnc12
BDBM116850 CCC(C)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116981 CC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)C1=CC(NC(=O)c2ccc(OC)c(F)c2)=CCC1 |r,c:34,t:19|
BDBM116982 COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(C)cc12)C(N)=O
BDBM116983 CC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1cccc(NC(=O)OC(C)(C)C)c1
BDBM116984 NC(=O)c1cc(OCc2ccccc2)cc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
BDBM116985 COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
BDBM116986 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1 |r|
BDBM116987 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cc(Cl)cc4F)c3)ncnc12
BDBM116988 COc1cc(F)c(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(F)c1
BDBM116989 COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(O)cc23)C(N)=O)c1
BDBM116990 NC(=O)C1=c2ncnc(NCc3cccc(NC(=O)c4ccc(cc4)C(F)(F)F)c3)c2=CCC1 |c:3,33|
BDBM116991 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12
BDBM116992 COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cc(cc12)C#N)C(N)=O
BDBM117000 CC(C)n1cc(cn1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
BDBM117001 NC(=O)C1CC=C(C=C1)c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r,c:5,7|
BDBM117003 NC(=O)c1cccc(c1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
BDBM117014 COc1ccc(cc1)C(=O)N(C)c1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM117015 NC(=O)c1cccc2c(NC(CCN3CCOCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
BDBM116851 COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(cc23)C(O)CO)C(N)=O)c1
BDBM116852 NC(=O)c1cccc2c(NC(CCN3CCNCC3)c3cccc(NC(=O)c4cc(n[nH]4)C4CC4)c3)ncnc12
BDBM116853 CN1CCN(CCC(Nc2ncnc3c(cccc23)C(N)=O)c2cccc(NC(=O)c3cc(n[nH]3)C3CC3)c2)CC1
BDBM116854 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3)ncnc12
BDBM116855 CCOC(=O)c1coc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)n1
BDBM116856 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4)N4CCCCC4=O)c3)ncnc12
BDBM116857 NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(cn4)C4CCNCC4)c3)ncnc12
BDBM116858 CC(Nc1ncnc2c(cccc12)C(N)=O)C1=CC(NC(=O)C2(CCC2)C(F)(F)F)=CCC1 |c:32,t:18|
BDBM116859 Cc1nc(no1)-c1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116860 CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC(F)(F)C2)c1
BDBM116861 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1
BDBM116862 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)N4CCOCC4)c3)ncnc12
BDBM116863 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2ccc(cn2)C(F)(F)F)c1 |r|
BDBM116864 CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
BDBM116865 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)Oc2ccccc2)c1 |r|
BDBM116866 Cn1cc(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c2ccccc12
BDBM116867 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2ncc(cc2Cl)C(F)(F)F)c1 |r|
BDBM116868 NC(=O)c1cccc2c(NCc3cccc(Nc4cc(CC#N)ccn4)c3)ncnc12
BDBM116869 COc1ccc2nc(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)sc2c1
BDBM116870 NC(=O)c1cccc2c(NCc3cccc(Nc4nc5ccccc5s4)c3)ncnc12
BDBM116871 NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)C4CC4(F)F)c3)ncnc12
BDBM116872 CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1
BDBM116873 CC(CC(F)(F)F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116874 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1
BDBM116875 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)CC(F)(F)F)c1
BDBM116876 Cc1ccc2ccnc(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)c2c1
BDBM116877 NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(cn4)C(F)(F)F)c3)ncnc12
BDBM116878 NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4ccc(cc4)C(F)(F)F)c3)ncnc12
BDBM116879 NC(=O)c1cccc2c(NCC3CC=CC(C3)=NC(O)c3c[nH]c4ncccc34)ncnc12 |w:17.18,c:13|
BDBM116880 CCN1CCC(C1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116881 NC(=O)c1cccc2c(NCC3CC=CC(NC(=O)c4ccncc4)=C3)ncnc12 |c:13,25|
BDBM116882 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2ccc(CN3CCOCC3)cn2)c1 |r|
BDBM116883 COCCOc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116884 CN(C)CCCOC1CC=C(C=C1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 |c:9,11|
BDBM116885 NC(=O)c1cccc2c(NCc3cccc(Nc4ncnc5nc[nH]c45)c3)ncnc12
BDBM116886 CCN(CC)CCNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(O)c4ccc(OC)cc4)c3)c2c1
BDBM116887 NC(=O)c1cccc2c(NCc3cccc(NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)c3)ncnc12 |r|
BDBM116888 COCCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116889 NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(N)cn4)c3)ncnc12
BDBM116890 Cc1nc2ccnc(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)c2[nH]1
BDBM116891 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cnn5CCNCc45)c3)ncnc12
BDBM116892 COc1ccc(cc1)C(=O)Nc1ccc(C)c(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116893 NC(=O)c1cccc2c(NCc3cccc(Nc4ncccn4)c3)ncnc12
BDBM116894 NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4cccnc4)c3)ncnc12
BDBM116895 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(Nc4ccccn4)c3)ncnc12
BDBM116896 Cc1cc(nn1CC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1)C(F)(F)F
BDBM116897 COc1ccc(cc1)C(=O)Nc1ccc2CCN(Cc2c1)c1ncnc2c(cccc12)C(N)=O
BDBM116379 NCC1(CCN(CC1)c1ncnc2c(cccc12)C(N)=O)c1ccc(OC(F)(F)F)cc1
BDBM116380 COc1cc(C(N)=O)c2ncnc(NCc3cccc(c3)C(F)(F)F)c2c1
BDBM116381 NC(=O)c1cccc2c(NCc3cccc(NC(=O)N4CCOCC4)c3)ncnc12
BDBM116382 COCCCNC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116383 NC(=O)c1cccc2c(NCc3cccc(NC(=O)NCCN4CCOCC4)c3)ncnc12
BDBM116384 NC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116385 NC(=O)c1cccc2c(NCc3cccc(NC(=O)N4CCCCC4)c3)ncnc12
BDBM116386 NC(=O)c1cccc2c(NCCNCc3ccccc3)ncnc12
BDBM116387 COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116388 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
BDBM116389 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
BDBM116390 CN(C)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116391 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCOc5c4)c3)ncnc12
BDBM116392 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Cc4ccccc4)c3)ncnc12
BDBM116393 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
BDBM116394 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(SC(F)(F)F)cc4)c3)ncnc12
BDBM116396 COc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
BDBM116397 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(CN5CCOCC5)c4)c3)ncnc12
BDBM116398 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)ncnc12
BDBM116399 CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
BDBM116400 COc1ccc(CC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)cc1
BDBM116401 NC(=O)c1cccc2c(N[C@H](Cn3ccnn3)c3ccccc3)ncnc12 |r|
BDBM116402 COc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(c3)C(F)(F)F)c2c1
BDBM116403 COCCOc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116404 NC(=O)c1cccc2c(NCc3cccc(OCCN4CCOCC4)c3)ncnc12
BDBM116405 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)nc4)c3)ncnc12
BDBM116406 COc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
BDBM116407 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)n4)c3)ncnc12
BDBM116408 COc1cc(C(N)=O)c2ncnc(N[C@H](C)c3ccccc3)c2c1 |r|
BDBM116409 COc1ccc(OC)c(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116410 CN(C)CCOc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116688 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2c(F)cccc2F)=C1 |c:38,t:22|
BDBM116689 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
BDBM116690 CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116691 CCn1nc(cc1C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O)C(F)(F)F
BDBM116692 CNCC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1ccccc1
BDBM116693 NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12 |r|
BDBM116694 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OCCO)c4)c3)ncnc12
BDBM116695 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
BDBM116698 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2F)c1
BDBM116699 COc1ccc(cc1C)C(O)N=C1CC(CNc2ncnc3c(cccc23)C(N)=O)CC=C1 |w:11.11,c:34|
BDBM116700 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C2CC2)c1
BDBM116701 CCCN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
BDBM116702 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12
BDBM116703 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NCc2ccc(Br)cc2)c1
BDBM116704 NC(=O)c1cccc2c(NCc3ccc(F)c(F)c3)ncnc12
BDBM116705 COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=C
BDBM116706 COc1cc(ccn1)C(=O)NC1=CCCC(=C1)C(C)Nc1ncnc2c(cccc12)C(N)=O |c:16,t:12|
BDBM116707 COc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116708 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 |r|
BDBM116709 FC1CC=CC(F)=C1C(=O)Nc1cccc(c1)C(CCN1CCCC1)NC1=NC=NC=CCCC=C1 |w:28.30,30.32,26.38,34.36,c:3,6|
BDBM116710 CN1CCN(CC1)c1ccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)cc1
BDBM116711 NC(=O)c1cccc2c(ncnc12)N1CCc2ccc(cc2C1)[N+]([O-])=O
BDBM116712 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cccn2C)c1
BDBM116411 NC(=O)c1cccc2c(NCc3cccc(OCCN(CCO)CCO)c3)ncnc12
BDBM116412 CCOC(=O)N1CCN(CCOc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)CC1
BDBM116413 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(Cl)c4)c3)ncnc12
BDBM116414 COc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(Cl)c3)c2c1
BDBM116415 COc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
BDBM116416 NC(=O)c1cc(OCc2ccccc2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116417 CN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116418 CN(C)c1cccc(n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116419 CN(C)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116420 NC(=O)c1cc(O)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116421 NC(CNc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(c1)C(F)(F)F
BDBM116422 NC(=O)c1cc(OCCN2CCOCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116423 CN(C)CCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
BDBM116425 COCCN(C)CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
BDBM116426 NC(=O)c1cc(OCCCN2CCN(CCO)CC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116427 NC(=O)c1cc(OCCCN2CCOCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116428 CN(CCO)CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
BDBM116429 NC(=O)c1cc(OCCCN2CCC(O)C2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116430 NC(=O)c1cc(OCCCN2CCC[C@H]2CO)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12 |r|
BDBM116431 COC[C@@H]1CCCN1CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1 |r|
BDBM116432 CN1CCN(CCCOc2cc(C(N)=O)c3ncnc(NCc4ccc(cc4)C(F)(F)F)c3c2)CC1
BDBM116433 NC(=O)c1cc(OCCCN2CCCCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116434 NC(=O)c1cc(OCCCNCCO)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116435 NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
BDBM116436 NC(=O)c1cccc2c(NCC(O)c3ccccc3)ncnc12
BDBM116437 COCCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(cc3)C(F)(F)F)c2c1
BDBM116438 COc1ccccc1C(CN)Nc1ncnc2c(cccc12)C(N)=O
BDBM116439 COc1ccccc1C(CNC(C)=O)Nc1ncnc2c(cccc12)C(N)=O
BDBM116440 COc1ccc(cc1OC)C(CN)Nc1ncnc2c(cccc12)C(N)=O
BDBM116441 NC(=O)c1cccc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc12
BDBM116442 NC(=O)c1cccc2c(NCc3ccccc3)ncnc12
BDBM116443 NC(=O)c1cccc2c(Nc3cccc(c3)C#C)ncnc12
BDBM116444 NC(=O)c1cccc2c(Nc3cccc(Br)c3)ncnc12
BDBM116445 NC(=O)c1cccc2c(Nc3ccc(F)c(Cl)c3)ncnc12
BDBM116446 NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
BDBM116447 COc1ccc(CCNc2ncnc3c(cccc23)C(N)=O)cc1
BDBM116448 NC(=O)c1cccc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12
BDBM116449 COc1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
BDBM116450 NC(=O)c1cccc2c(NCc3cccc4ccccc34)ncnc12
BDBM116451 C[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116452 NC(=O)c1cccc2c(NCc3ccc(F)cc3)ncnc12
BDBM116453 NC(=O)c1cccc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
BDBM116454 Cc1ccccc1CNc1ncnc2c(cccc12)C(N)=O
BDBM116713 NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
BDBM116714 COc1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116715 NC(=O)c1cccc2c(NC(CCO)c3cccc(c3)[N+]([O-])=O)ncnc12
BDBM116716 COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116717 CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116718 COc1ccc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c12
BDBM116720 COCCCOC1CC=CC(=C1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 |c:8,10|
BDBM116721 CNCCOc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116724 CN(C)CCNC(=O)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
BDBM116725 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)c3)ncnc12
BDBM116726 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN(C)C(=O)OC(C)(C)C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116456 COc1ccccc1CNc1ncnc2c(cccc12)C(N)=O
BDBM116457 NC(=O)c1cccc2c(NC3CCc4ccccc34)ncnc12
BDBM116727 Cn1cnc2c(Nc3cccc(CNc4ncnc5c(cccc45)C(N)=O)c3)nccc12
BDBM116728 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(F)ccc2F)c1
BDBM116729 CC(C)Oc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
BDBM116730 COc1ccc(cc1F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116731 NC(=O)c1cccc2c(NCc3cccc(F)c3F)ncnc12
BDBM116732 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccoc2)c1
BDBM116459 NC(=O)c1cccc2c(NCc3ccc(F)cc3F)ncnc12
BDBM116460 NC(=O)c1cccc2c(NCc3ccccc3Cl)ncnc12
BDBM116461 NC(=O)c1cccc2c(NCc3ccccn3)ncnc12
BDBM116462 NC(=O)c1cccc2c(NCc3ccccc3C(F)(F)F)ncnc12
BDBM116463 NC(=O)c1cccc2c(NCc3ccc4OCOc4c3)ncnc12
BDBM116464 COc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116465 NC(=O)c1cccc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116466 Cc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116467 NC(=O)c1cccc2c(NCc3ccccc3F)ncnc12
BDBM116468 CC(C)(C)OC(=O)Nc1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
BDBM116469 NC(=O)c1cccc2c(NCc3ccc(O)cc3)ncnc12
BDBM116470 NC(=O)c1cccc2c(NCc3ccc(N)cc3)ncnc12
BDBM116471 NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)ncnc12
BDBM116472 NC(=O)c1cccc2c(NCc3cccc(N)c3)ncnc12
BDBM116473 NC(=O)c1cccc2c(NCc3cccc(O)c3)ncnc12
BDBM116474 CC(C)(C)OC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116475 NC(=O)c1cccc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116476 NC(=O)c1cccc2c(NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)ncnc12
BDBM116477 NC(=O)c1cccc2c(NCc3ccc4OCOc4c3)ccnc12
BDBM116478 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)ncnc12
BDBM116479 NC(=O)c1cccc2c(NCc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc12
BDBM116480 NC(=O)c1cccc2c(NCc3cccc(NS(=O)(=O)c4ccccc4)c3)ncnc12
BDBM116481 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4)c3)ncnc12
BDBM116482 NC(=O)c1cccc2c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc12
BDBM116483 NC(=O)c1cc(cc2c(NCc3cccc(c3)C(F)(F)F)ncnc12)N(=O)=O
BDBM116484 NC(=O)c1cc(N)cc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
BDBM116485 NC(=O)c1cc(cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12)N(=O)=O
BDBM116486 NC(=O)c1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
BDBM116487 NC(=O)c1cccc2c(NCc3ccc4OCCc4c3)ncnc12
BDBM116488 NC(=O)c1cccc2c(NCc3ccc4occc4c3)ncnc12
BDBM116489 NC(=O)c1cccc2c(NCc3cccc(c3)C(F)(F)F)ccnc12
BDBM116490 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116491 NC(=O)c1cc(N)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116492 CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(c3)C(F)(F)F)c2c1
BDBM116493 NC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116494 NC(=O)c1cc(NC(=O)Nc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116495 NC(=O)c1cc(NC(=O)c2ccncc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116496 NC(=O)c1cc(NC(=O)CCc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116497 NC(=O)c1cc(NCc2ccccc2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116498 NC(=O)c1cc(NC(=O)c2ccno2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116499 NC(=O)c1cc(NC(=O)c2ccc(cc2)S(F)(=O)=O)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116500 NC(=O)c1cc(NC(=O)c2cnc3ccccc3n2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116501 NC(=O)c1cc(NC(=O)Cc2cccs2)cc2c(NCc3ccc(Cl)c(c3)C(F)(F)F)ncnc12
BDBM116502 NC(=O)c1cccc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc12
BDBM116503 CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1ccccc1
BDBM116504 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(cc1)C(F)(F)F
BDBM116505 CNC[C@H](N=C1NC=NC2C=CCC=C12)c1ccccc1 |r,w:5.5,c:7,10,t:13|
BDBM116506 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
BDBM116507 COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1 |r|
BDBM116508 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
BDBM116509 CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(F)c1
BDBM116511 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM116512 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2F)c1
BDBM116513 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
BDBM116514 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
BDBM116515 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
BDBM116516 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCC2)c1
BDBM116517 CNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(F)c1 |r|
BDBM116518 CNCC(Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(Cl)c1
BDBM116519 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
BDBM116520 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCCC2)c1
BDBM116521 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(Cl)c2)c1
BDBM116522 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
BDBM116523 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
BDBM116524 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Br)c1
BDBM116525 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
BDBM116526 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
BDBM116734 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCCC4)c3)ncnc12
BDBM116736 CC(NC1=NC=NC2C(=CCC=C12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)N2CCOCC2)c1 |c:5,8,t:3,11|
BDBM116737 NC(=O)c1cccc2c(NCC3CC(NC=O)=CC=C3)ncnc12 |c:16,18|
BDBM116738 NC(=O)c1cc(O)cc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
BDBM116739 NC(=O)c1cccc2c(NCc3cc(F)cc(Cl)c3)ncnc12
BDBM116740 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(O)c2cc(n[nH]2)C2CC2)c1
BDBM116741 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc[n+]([O-])cc2)c1
BDBM116744 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(C)oc2C(F)(F)F)c1
BDBM116746 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN(C)C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116747 COCCN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116748 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=C[NH+]([O-])CC=C2)c1 |c:31,t:26|
BDBM116749 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM116750 CCOc1cc(ccn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116751 CS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116752 CCN(C[C@@H](Nc1ccccc(cncn1)C(N)=O)C1CC=CC=C1)C(C)C |r,c:22,24|
BDBM116753 CN(C)CCOc1ccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)cc1
BDBM116754 NC(=O)c1cccc2c(NC(Cn3ccnc3)c3ccccc3)ncnc12
BDBM116755 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(c(F)c2)C(F)(F)F)c1 |r|
BDBM116527 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1
BDBM116528 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N(C)C)c1
BDBM116529 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
BDBM116530 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncc(c2)N2CCCC2)c1
BDBM116531 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
BDBM116532 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116533 CNCC(Nc1ncnc2c(ccc(OC)c12)C(N)=O)c1ccccc1
BDBM116534 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(OC)cc1
BDBM116535 CNCC(Nc1ccccc(cncn1)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM116536 COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccc(Cl)cc3)c2c1
BDBM116538 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2F)c1
BDBM116539 CC1CCCN1c1cc(ccn1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116541 CCN(CC)C1CCN(C1)c1cc(ccn1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116542 COc1ccc(cc1F)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2=C(CCC=c12)C(N)=O |t:30,34|
BDBM116543 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1 |r|
BDBM116544 CCNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1ccccc1 |r|
BDBM116545 COc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3cccc(F)c3)c2c1 |r|
BDBM116546 CCNC[C@@H](Nc1ncnc2=C(CCC=c12)C(N)=O)c1cccc(F)c1 |r,t:10,14|
BDBM116547 CN(CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)CC=C
BDBM116548 COc1ccc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116549 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
BDBM116550 CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116552 CN(CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)(C)C
BDBM116553 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
BDBM116554 CN(C)C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116555 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(C)C(F)=C2)c1 |c:32,t:26|
BDBM116556 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
BDBM116558 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
BDBM116559 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12
BDBM116560 CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)nc2)c1
BDBM116561 CNCC(Nc1ncnc2=C(CCC=c12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1 |t:9,13|
BDBM116562 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1 |r|
BDBM116563 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM116564 COCCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2ccc(F)cc2F)=C1 |c:37,t:21|
BDBM116565 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=O
BDBM116567 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(c4)N4CCCC4)c3)ncnc12
BDBM116568 CN(C)CC(Nc1ncnc2c(cc(OCC3CC3)cc12)C(N)=O)c1cccc(F)c1
BDBM116569 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1 |r|
BDBM116570 CNCC(Nc1ncnc2c(cc(OCc3ccccc3)cc12)C(N)=O)c1cccc(Cl)c1
BDBM116571 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1 |r|
BDBM116572 CN(CCO)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116573 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
BDBM116576 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1 |r|
BDBM116577 COc1cc(ccn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116579 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1
BDBM116580 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(Br)C=C2)c1 |c:31,t:26|
BDBM116581 CN(CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1)C(=O)OC(C)(C)C
BDBM116582 COc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116583 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
BDBM116584 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1 |r|
BDBM116585 CCOc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
BDBM116587 CCNC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116588 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1
BDBM116589 COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
BDBM116592 NCC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116593 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(F)cc1
BDBM116594 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM116595 COc1ccc(C(=O)Nc2cccc(c2)C(CN(C)C(=O)OC(C)(C)C)Nc2ncnc3c(cccc23)C(N)=O)c(F)c1
BDBM116596 NCC(Cc1ccccc1)Nc1ncnc2c(cccc12)C(N)=O
BDBM116597 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
BDBM116598 COc1ccc(cn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116599 CNCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=O
BDBM116600 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C#N)c(F)c2)c1
BDBM116601 CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
BDBM116602 CN(CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1)C(=O)OC(C)(C)C
BDBM116603 CCNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(F)c1 |r|
BDBM116604 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2sc(C)nc2C)c1 |r|
BDBM116605 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1
BDBM116606 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cccc(F)c2F)c1
BDBM116607 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(Cl)N=C2)c1 |c:31,t:26|
BDBM116610 NC[C@H](Cc1ccccc1)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116611 CNCC(Nc1ncnc2c(cc(O)cc12)C(N)=O)c1ccccc1
BDBM116613 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cnc(C)s2)c1 |r|
BDBM116614 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)F)c1
BDBM116615 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)nc2)c1
BDBM116616 COc1ccc(COc2cc(C(N)=O)c3ncnc(NC(CN(C)C)c4cccc(F)c4)c3c2)cc1
BDBM116617 CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116618 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2cccc(F)c2F)=C1 |c:38,t:22|
BDBM116619 NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
BDBM116620 NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(Br)cc4)c3)ncnc12
BDBM116621 CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(N)c1
BDBM116622 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
BDBM116623 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1 |r|
BDBM116624 NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CC(F)C(Cl)C=C4)c3)ncnc12 |c:25,t:19|
BDBM116625 COCCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2cc(F)ccc2F)=C1 |c:37,t:21|
BDBM116626 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cccc(F)c2)c1
BDBM116627 CN(C)CC(Nc1ncnc2c(cc(OC3CCC3)cc12)C(N)=O)c1cccc(F)c1
BDBM116628 CN(C)CC(Nc1ncnc2c(cc(O)cc12)C(N)=O)c1cccc(Cl)c1
BDBM116631 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCN(C)CC=C)Nc1ncnc2c(cccc12)C(N)=O
BDBM116632 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 |r|
BDBM116633 NC(=O)c1cccc2c(NC(CCN3CCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
BDBM116634 COCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
BDBM116635 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc3OCCOc3c2)c1
BDBM116636 CN(CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1)C(=O)OC(C)(C)C
BDBM116637 CN(C)CC(Nc1ncnc2c(cc(O)cc12)C(N)=O)c1cccc(F)c1
BDBM116638 NC(=O)c1ccccc(N[C@H](CNCCS)c2ccccc2)ncnc1 |r|
BDBM116639 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O
BDBM116640 NC(=O)c1cccc2c(NCc3cccc(NC(O)c4cc(ccc4F)C(F)(F)F)c3)ncnc12
BDBM116641 CC(C)N(C)C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116642 COCCOc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
BDBM116643 COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccc(F)cc3)c2c1
BDBM116647 CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116648 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(c4)N4CCOCC4)c3)ncnc12
BDBM116329 NC(=O)c1cccc2c(NCC3CCNCC3)ncnc12
BDBM116330 NC(=O)c1cccc2c(N[C@H]3CCCNC3)c(cnc12)C(O)=O |r|
BDBM116331 COc1cccc(c1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
BDBM116332 NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
BDBM116333 CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
BDBM116334 NC(=O)c1cccc2c(N[C@H](CC#N)c3ccccc3)ncnc12 |r|
BDBM116335 NC(=O)c1cccc2c(NCc3ccc(Br)cc3)ncnc12
BDBM116336 COc1cc(CNc2cncc3c(cccc23)C(N)=O)cc(OC)c1
BDBM116651 COCCNC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116652 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C#N)c1 |r|
BDBM116653 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
BDBM116655 CN(CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1)CC=C
BDBM116656 CN(CCO)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116657 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
BDBM116658 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccoc2C)c1
BDBM116659 NC(=O)C1=c2ncnc(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)c2=CCC1 |c:3,38|
BDBM116660 COc1ccc(C(=O)NC2=CC(=CCC2)C(CCN(C)C)Nc2ncnc3c(cccc23)C(N)=O)c(F)c1 |c:11,t:9|
BDBM116661 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
BDBM116662 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2ccccc2F)=C1 |c:37,t:22|
BDBM116663 CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM116664 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM116665 NC(=O)c1cccc2c(NC(CCO)C3=CCCC(NC(=O)c4ccccc4)=C3)ncnc12 |c:28,t:14|
BDBM116666 CCN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
BDBM116668 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
BDBM116669 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cnc(C)cn2)c1
BDBM116670 CNCC(Nc1ncnc2c(cc(OCCN(C)C)cc12)C(N)=O)c1cccc(F)c1
BDBM116672 COc1ccc(cc1F)C(=O)Nc1cc(ccc1F)[C@@H](C)Nc1nccc2c(cccc12)C(N)=O |r|
BDBM116673 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)ncnc12
BDBM116674 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCOCC4)c3)ncnc12
BDBM116675 NC(=O)c1cccc2c(NCC3=CC(Cl)=CCC3)ncnc12 |c:14,t:11|
BDBM116676 COCCC(Nc1ncnc2c(cccc12)C(N)=O)C1=CCCC(NC(=O)c2ccccc2F)=C1 |c:36,t:21|
BDBM116677 CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(c1)[N+]([O-])=O
BDBM116680 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OCCCO)c4)c3)ncnc12
BDBM116681 COCCN(C)c1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116682 CN(C)Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116683 CN(C)CCOc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116684 CC(C)NC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116686 COc1ncc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r|
BDBM116687 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OCCc5c4)c3)ncnc12
BDBM116339 NC(=O)c1cccc2c(NCc3cccc(Br)c3)ncnc12
BDBM116340 NC(=O)c1cccc2c(NCc3ccc(Oc4ccccc4)cc3)ncnc12
BDBM116341 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4F)c3)ncnc12
BDBM116342 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4Cl)c3)ncnc12
BDBM116343 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(Cl)c4)c3)ncnc12
BDBM116344 COc1ccccc1NC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116345 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(F)c4)c3)ncnc12
BDBM116346 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccc(F)cc4)c3)ncnc12
BDBM116347 NC(=O)c1cccc2c(NCc3cc(F)cc(F)c3)ncnc12
BDBM116348 CC(C)NC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116349 CS(=O)(=O)c1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
BDBM116350 CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccccc3)c2c1
BDBM116351 NC(=O)c1cccc2c(NCc3ccccc3Br)ncnc12
BDBM116352 NC(=O)c1cc(NCc2ccccc2)cc2c(NCc3ccccc3)ncnc12
BDBM116353 COc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
BDBM116354 NC(=O)c1cccc2c(NCc3cccc(NC(=O)NC(=O)c4ccccc4)c3)ncnc12
BDBM116355 CCNC(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116356 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c3)ncnc12
BDBM116357 NC(=O)c1cccc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r|
BDBM116358 NC(=O)c1cccc2c(N[C@@H]3[C@H](O)Cc4ccccc34)ncnc12 |r|
BDBM116359 C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc2ccccc12 |r|
BDBM116360 NC(=O)c1cc(NCc2cccnc2)cc2c(NCc3ccccc3)ncnc12
BDBM116361 NC(=O)c1cccc2c(N[C@@H](CO)c3ccccc3)ncnc12 |r|
BDBM116362 NC(=O)c1cc(NCc2ncc[nH]2)cc2c(NCc3ccccc3)ncnc12
BDBM116363 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)ncnc12
BDBM116364 NC(=O)c1cccc2c(NCc3cccc(c3)C(=O)Nc3ccccc3)ncnc12
BDBM116365 NC(=O)c1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116366 CNC(=O)c1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116367 NC(=O)c1cccc2c(N[C@H](C(O)=O)c3ccccc3)ncnc12 |r|
BDBM116368 NC(=O)c1cccc2c(N[C@H](CO)c3ccccc3)ncnc12 |r|
BDBM116370 NC(=O)c1cccc2c(N[C@H]3CCCc4ccccc34)ncnc12 |r|
BDBM116371 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)ncnc12
BDBM116372 NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cccc(c4)C(F)(F)F)cc3)ncnc12
BDBM116373 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4C(F)(F)F)c3)ncnc12
BDBM116374 Cc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
BDBM116375 NC(=O)c1cc(N)cc2c(NCc3ccccc3)ncnc12
BDBM116376 Cc1cc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c2c1
BDBM116377 COC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1 |r|
BDBM116378 NC(=O)c1cccc2c(N[C@H](CN=[N+]=[N-])c3ccccc3)ncnc12 |r|
BDBM116756 CCn1nc(cc1C)C(=O)Nc1ccccc1
BDBM121388 C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
BDBM121389 COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1
BDBM121390 COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
BDBM41575 COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
BDBM50224739 CN(C)c1ccc(cc1)-c1nc2cc[nH]cc2n1
BDBM50045027 COc1ccccc1-c1nc2ncccc2[nH]1
BDBM50127174 CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
BDBM50127136 Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O
BDBM50059889 CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50012188 O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50130583 O=c1[nH]c2ncccc2c2ccccc12
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50132003 Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
BDBM50123455 CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
BDBM50123456 CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
BDBM50123457 CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
BDBM209965 FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(c3)C(=O)Nc3ccc(Cl)cc3)n2)c1
BDBM209966 FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(c3)C(=O)Nc3ccccc3)n2)c1
BDBM209967 CN(C)c1cc(Nc2ccccc2)nc(Nc2ccccc2)n1
BDBM209968 CN(C)c1cc(Nc2ccccc2C(O)=O)nc(Nc2ccccc2)n1
BDBM209969 CCOC(=O)c1ccc(Nc2ncc(N)c(Nc3ccccc3C(O)=O)n2)cc1
BDBM50150778 Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
BDBM209945 OC(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3OC(F)(F)F)n2)cc1
BDBM209946 OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1O
BDBM209944 NC(=O)c1ccccc1Nc1nccc(Nc2ccccc2)n1
BDBM209947 OC(=O)c1cccc(Nc2nccc(Nc3ccccc3Cl)n2)c1
BDBM209948 NC(O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM209950 OC(=O)c1ccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)cc1
BDBM209951 NC(=O)c1ccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)cc1
BDBM209962 NC(=O)CCCCc1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209963 NC(O)C1CCC(C1)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209964 CC(CC(N)=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209952 CC(C(N)=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209953 FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209954 OC(=O)c1ccccc1Nc1nccc(Nc2cccc(c2)C(F)(F)F)n1
BDBM209957 OC(=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209955 NC(=O)c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209956 NC(=O)Cc1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209958 NCCCCc1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209959 NC(=O)CCc1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209960 NC(=O)C1CC1c1cccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)c1
BDBM209961 FC(F)(F)c1cccc(Nc2ccnc(Nc3ccccc3)n2)c1
BDBM209942 CC(=O)Nc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
BDBM209943 NC(=O)c1ccccc1Nc1nccc(Nc2ccccc2C(O)=O)n1
BDBM50162083 Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50166571 Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
BDBM50170831 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
BDBM50174687 Cc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3Oc4ccccc4CNc23)cn1
BDBM50174688 COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)c3NCc2c1
BDBM50174689 COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2cc1OC
BDBM50174690 COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccccc5)nc4)c3NCc2c1
BDBM50174691 COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)c3NCc2c1
BDBM50174692 COc1ccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2c1
BDBM50174693 CCN(CC)c1ccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2c1
BDBM50174694 COc1cc2CNc3c(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)ncnc3Oc2cc1OC
BDBM50174695 O=C(Nc1ncc(Nc2ncnc3Oc4ccccc4CNc23)cn1)c1ccccc1
BDBM50174696 COc1cccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc12
BDBM50174697 COc1ccc2CNc3c(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)ncnc3Oc2c1
BDBM50174698 COc1ccc2CNc3c(Nc4cnc(NC(=O)c5ccc(F)cc5)nc4)ncnc3Oc2c1
BDBM50174699 COc1cccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccccc5)nc4)c3NCc12
BDBM50174700 COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)ncnc3Oc2cc1OC
BDBM50181552 COc1cc2c(Nc3ncc(CNC(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM50181553 COc1cc2c(Nc3ncc([nH]3)C(=O)Nc3ccc(F)cc3)ncnc2cc1OCCCN1CCOCC1
BDBM50181554 COc1cc2c(Nc3ncc(CC(=O)NCCC(C)C)s3)ncnc2cc1OCCCN1CCOCC1
BDBM50181556 COc1cc2c(Nc3ncc(C)s3)ncnc2cc1OCCCN1CCOCC1
BDBM50181557 COc1cccc(NC(=O)Cc2cnc(Nc3ncnc4cc(OCCCN5CCC[C@H]5CO)c(OC)cc34)s2)c1
BDBM50181532 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM50181534 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)o3)ncnc2cc1OCCCN1CCOCC1
BDBM50181535 CCCCc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1
BDBM50181537 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
BDBM50181538 COc1cc2c(Nc3ncc(CC(=O)Nc4ccccc4C(N)=O)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
BDBM50181539 COc1cc2c(Nc3nc(CC(=O)Nc4cccc(F)c4)cs3)ncnc2cc1OCCCN1CCOCC1
BDBM50181540 CCN(C(=O)Cc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1)c1ccccc1
BDBM50181542 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCNCCO
BDBM50181544 COc1cc2c(Nc3ncc(CNS(=O)(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM50181547 COc1cc2c(Nc3ncc(s3)C(=O)Nc3ccc(F)cc3)ncnc2cc1OCCCN1CCOCC1
BDBM50181549 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(c4)N(C)C)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
BDBM50181550 COCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50372017 Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1
BDBM50192280 COc1cc2c(Nc3cnc(NC(=O)c4ccc(Cc5ccccc5)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
BDBM50192281 COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCCCC1
BDBM50192282 CCCN(CCC)S(=O)(=O)c1ncc(cn1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
BDBM50192283 COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OC[C@@H](O)CN1CCCCC1
BDBM50191398 Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O |(26.57,-40.82,;27.04,-39.35,;28.5,-38.87,;28.49,-37.34,;29.64,-36.32,;31.1,-36.79,;29.32,-34.82,;27.85,-34.35,;26.72,-35.37,;27.04,-36.86,;26.14,-38.11,;24.6,-38.11,;23.69,-39.38,;22.21,-38.9,;20.87,-39.67,;19.53,-38.9,;19.53,-37.35,;20.87,-36.58,;22.2,-37.35,;23.68,-36.86,;24.15,-35.38,;23.11,-34.25,)|
BDBM50191405 Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
BDBM50191418 Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.25,;1.71,-1.79,;3.17,-1.31,;3.18,.23,;4.31,1.25,;5.78,.77,;3.99,2.75,;2.53,3.23,;1.39,2.2,;1.71,.71,;.81,-.54,;-.75,-.54,;-1.65,-1.79,;-3.12,-1.32,;-4.45,-2.1,;-5.79,-1.33,;-5.79,.22,;-4.46,.99,;-3.12,.22,;-1.66,.7,;-1.17,2.18,;-2.26,3.27,)|
BDBM50191421 CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:4|
BDBM50191440 Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2C1=O |t:13|
BDBM50191445 Oc1[nH]c2c(Cl)cccc2c1C1=Nc2ccccc2C1=O |t:13|
BDBM50191448 Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.26,;1.73,-1.79,;3.19,-1.31,;3.18,.22,;4.32,1.24,;5.79,.77,;4,2.75,;2.53,3.22,;1.4,2.19,;1.72,.7,;.82,-.55,;-.72,-.55,;-1.62,-1.82,;-3.11,-1.34,;-4.45,-2.11,;-5.79,-1.34,;-5.78,.21,;-4.45,.98,;-3.11,.22,;-1.63,.7,;-1.16,2.17,;-2.25,3.26,)|
BDBM50191449 Oc1[nH]c2c(I)cccc2c1C1=Nc2ccccc2C1=O |t:13|
BDBM50194668 Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50194671 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50194024 CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
BDBM50198311 CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
BDBM50197834 COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
BDBM50196392 CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
BDBM50200392 FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1
BDBM50200393 FC(F)(F)c1cccc(Nc2nccc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1
BDBM50200394 FC(F)(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1
BDBM50204694 O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(19.77,-1.9,;21.02,-1.01,;22.42,-1.66,;23.69,-.77,;23.53,.76,;22.14,1.41,;20.89,.52,;24.79,1.65,;26.19,1.01,;26.33,-.53,;27.44,1.9,;27.3,3.44,;28.55,4.33,;29.95,3.7,;30.1,2.15,;31.61,1.81,;32.4,3.14,;33.83,3.77,;33.68,5.31,;32.16,5.65,;31.37,4.31,;35.16,2.99,;35.15,1.44,;36.46,.66,;37.81,1.42,;37.82,2.96,;36.49,3.74,;39.13,.64,;39.12,-.9,;40.44,-1.67,;41.78,-.91,;43.11,-1.69,;41.78,.63,;40.46,1.4,;28.85,1.26,)|
BDBM50205472 O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
BDBM50216502 CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10|
BDBM50215751 N#Cc1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:13.15|
BDBM50215752 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cccnc1 |w:22.26|
BDBM50215753 CCNCc1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:9.8|
BDBM50215754 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:17.20|
BDBM50215755 COC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:9.8|
BDBM50215756 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cnccc1C |w:17.20|
BDBM50215757 FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:15.17|
BDBM50215745 CCNC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:10.9|
BDBM50215746 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(OC)c1 |w:17.20|
BDBM50215747 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(c1)C#N |w:17.20|
BDBM50215748 CCNCc1cncc(C=Cc2c[nH]nc2-c2ncc([nH]2)C(F)(F)F)c1 |w:9.8|
BDBM50215749 FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:15.17|
BDBM50215750 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cccnc1 |w:17.20|
BDBM50218886 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Cl |w:6.6,4.3|
BDBM50218887 CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Cl
BDBM50218891 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2I |w:6.6,4.3|
BDBM50218897 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2Br |w:6.6,4.3|
BDBM50218900 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F |w:6.6,4.3|
BDBM50218901 CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2F
BDBM50218902 CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2Br
BDBM50218903 CO\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2c1cccc2I
BDBM50222913 CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
BDBM50224732 COc1cc2ncnc(N3CCN(Cc4ccc(F)cc4)CC3)c2cc1OC
BDBM50224734 CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
BDBM50224741 COc1cc2ncnc(N3CCN(CC3)C(C)c3ccccc3)c2cc1OC |w:15.16|
BDBM50224742 CN(C)c1ccc(cc1)-c1nc2nccc(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
BDBM50224743 COc1cccc(c1)-c1nc2ncccc2[nH]1
BDBM50224744 COc1cc2ncnc(N3CCN(CC(=O)N4CCCC4)CC3)c2cc1OC
BDBM50224746 COc1cc2ncnc(N3CCN(CC(=O)N(C)c4ccccc4)CC3)c2cc1OC
BDBM50224747 COc1cc2ncnc(N3CCN(CCc4ccccc4)CC3)c2cc1OC
BDBM50224748 COc1cc2ncnc(N3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC
BDBM50224750 CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)C(F)(F)F
BDBM50224751 C1CCC(NC1)c1ccc(cc1)-c1nc2ncccc2[nH]1
BDBM50224752 COc1ccc(cc1)-c1nc2ncccc2[nH]1
BDBM50224753 CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cccc(c1)C(C)=O
BDBM50224754 COc1cc2ncnc(N3CCN(CC(=O)Nc4nccs4)CC3)c2cc1OC
BDBM50224755 COc1cc2ncnc(N3CCN(CCOc4ccccc4)CC3)c2cc1OC
BDBM50224756 CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cccc(O)c1
BDBM50224757 COc1ccc(cc1)-c1cnc2nc([nH]c2c1)-c1ccc(cc1)N(C)C
BDBM50224731 CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
BDBM50224733 CN(C)c1ccc(cc1)-c1nc2nccc(C)c2[nH]1
BDBM50224736 C1CCN(C1)c1ccc(cc1)-c1nc2ncccc2[nH]1
BDBM50224737 CN(C)c1ccc(cc1)-c1nc2ncc(C)cc2[nH]1
BDBM50224738 CN(C)c1ccc(cc1)-c1nc2nccc(Cl)c2[nH]1
BDBM50224740 CN(C)c1ccc(cc1)-c1nc2ncccc2[nH]1
BDBM50224745 CN(C)c1ccc(cc1)-c1nc2ncc(Br)cc2[nH]1
BDBM50224749 CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(Cl)c2[nH]1
BDBM50224758 CN(C)c1cccc(c1)-c1nc2ncccc2[nH]1
BDBM50229962 COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
BDBM50229973 Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
BDBM50236362 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
BDBM50236856 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50241089 CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
BDBM50249210 Cc1cc(Nc2nn(CC(F)(F)F)c(=O)c3ccccc23)[nH]n1
BDBM50249237 Cc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)[nH]n1
BDBM50249453 Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)[nH]n1
BDBM50251960 CCCCNC(=O)c1cccc(NC(=O)CCCCCNc2ncnc3nc[nH]c23)c1
BDBM50249420 Cc1cc(Nc2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)[nH]n1
BDBM50251961 CCCCCCNc1ncnc2nc[nH]c12
BDBM50251910 CCCCNC(=O)c1cccc(NC(=O)CCCCCCNc2cc(N)ncn2)c1
BDBM50264658 COC(=O)c1cccc2CNC(=O)c12
BDBM50264659 OC(=O)c1cccc2CNC(=O)c12
BDBM50264548 O=C1NCc2cccc(-c3ccc[nH]3)c12
BDBM50264549 CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O
BDBM50264550 CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
BDBM50264551 OC1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
BDBM50264576 OCCCOc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
BDBM50264577 O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
BDBM50264578 O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c12
BDBM50264579 O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
BDBM50264580 COc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
BDBM50264613 O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c12
BDBM50264614 COc1ccc2nc([nH]c2c1)-c1cccc2CNC(=O)c12
BDBM50264611 Oc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
BDBM50264612 O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c12
BDBM50264616 NC(=O)c1cccc2CNC(=O)c12
BDBM50256478 COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
BDBM50258287 FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
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
BDBM50245407 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
BDBM50245408 COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
BDBM50245409 COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50245410 CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50245420 COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
BDBM50243979 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC(O)CO)c2ccccc12 |t:13|
BDBM50243980 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:13|
BDBM50243761 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|
BDBM50243928 CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
BDBM50243929 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)C)c2ccccc12 |t:13|
BDBM50243930 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
BDBM50241984 Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
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|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50243878 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:13|
BDBM50243931 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
BDBM50245363 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
BDBM50245364 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
BDBM50245442 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
BDBM50245443 COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
BDBM50245445 NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50244031 COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
BDBM50245471 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
BDBM50245472 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
BDBM50255048 OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
BDBM50255049 OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
BDBM50255012 CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
BDBM50255013 N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
BDBM50248348 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OC
BDBM50248349 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OC
BDBM50248350 CNc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc(OC)c(OC)cc2n1
BDBM50248351 COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
BDBM50248464 COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC
BDBM50248086 CNc1cc(Nc2ccc(cc2)-c2nc3ccccc3s2)ccn1
BDBM50248087 CNC(=O)c1cc(Nc2ccc(cc2)-c2nc3ccccc3s2)ccn1
BDBM50248228 Clc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
BDBM50248229 Fc1cc(ccc1Nc1ncnc2ccsc12)-c1nc2ccccc2s1
BDBM50248230 Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
BDBM50248231 COc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1-c1nc2ccccc2s1
BDBM50248232 Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
BDBM50248182 COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1
BDBM50248183 N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
BDBM50248184 COc1cc(Nc2ncnc3nc[nH]c23)ccc1-c1nc2ccccc2s1
BDBM50248185 N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2ccsc12
BDBM50248186 COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
BDBM50248116 Cc1cc(Nc2cc(Nc3ccc(cc3)-c3nc4ccccc4s3)ccn2)[nH]n1
BDBM50248117 CNc1nccc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
BDBM50248118 CNc1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
BDBM50248119 CN(C)c1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
BDBM50248120 CN1CCN(CC1)c1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
BDBM50248146 Cc1cc(Nc2ccnc(Nc3ccc(cc3)-c3nc4ccccc4s3)n2)[nH]n1
BDBM50248147 COc1cc(Nc2nccc(Nc3cc(C)n[nH]3)n2)ccc1-c1nc2ccccc2s1
BDBM50248148 N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
BDBM50248149 COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1
BDBM50248150 COc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc[nH]c2n1
BDBM50248291 Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
BDBM50248292 Cc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1Cl
BDBM50248293 COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
BDBM50248294 COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC
BDBM50248413 Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1
BDBM50248414 COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
BDBM50248415 N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
BDBM50248416 N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
BDBM50266185 CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
BDBM50266187 CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12
BDBM50266188 CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12
BDBM50266221 CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12
BDBM50266148 CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
BDBM50266149 CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
BDBM50293669 Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1
BDBM50293670 CC(=O)Nc1ccc(Sc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
BDBM50293671 CC(=O)Nc1ccc(Sc2nc(Nc3cc(n[nH]3)C3CC3)c3ccccc3n2)cc1
BDBM50293672 Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)[nH]n1
BDBM50293673 CN(c1ccccc1)c1nc(Nc2cc(C)n[nH]2)c2ccccc2n1
BDBM50293674 Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1
BDBM50293675 Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1
BDBM50293676 Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)[nH]n1
BDBM50293677 Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)[nH]n1
BDBM50293678 Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)[nH]n1
BDBM50293679 Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1
BDBM50293680 Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1
BDBM50293681 Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)[nH]n1
BDBM50293682 Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1
BDBM50293683 COc1ccccc1Sc1nc(Nc2cc(C)n[nH]2)c2ccccc2n1
BDBM50293684 COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
BDBM50293685 COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC
BDBM50293686 Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)[nH]n1
BDBM50293687 Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1
BDBM50293688 Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1
BDBM50293689 CN(C(C)=O)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
BDBM50293690 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
BDBM50293691 CC(=O)Nc1ccc(Sc2nccc(Nc3cc(C)n[nH]3)n2)cc1
BDBM50293692 CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
BDBM50293693 CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
BDBM50293694 CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
BDBM50293695 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)C2CC2)cc1
BDBM50293696 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)C(C)(C)C)cc1
BDBM50293697 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2cccnc2)cc1
BDBM50293698 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCC2)cc1
BDBM50293699 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
BDBM50293700 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1
BDBM50293701 Cc1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1
BDBM50273571 CCS(=O)(=O)Nc1ccc2NC(=O)C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 |w:15.15|
BDBM50270610 COc1cc2[nH]c3ncnc(Cl)c3c2cc1OC
BDBM50270611 COc1cc2[nH]c3ncnc(N4CCN(CC4)C(=S)Nc4ccc(cc4)S(=O)(=O)Nc4ncccn4)c3c2cc1OC
BDBM50277545 COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|
BDBM50277583 Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50277584 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
BDBM50277585 CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
BDBM50277586 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCCCC2)cc1
BDBM50277830 COc1cc2c(Nc3nc(cs3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1
BDBM50277831 COc1cc2c(Nc3ccc(s3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1
BDBM50277832 COc1cc2c(Nc3ncc(s3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1
BDBM50277637 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCOCC2)cc1
BDBM50277638 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCNCC2)cc1
BDBM50277639 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1
BDBM50277640 CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)CC)cc2)n1
BDBM50277678 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C2CC2)cc1
BDBM50277679 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C(C)(C)C)cc1
BDBM50027186 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN(CCO)CC#C
BDBM50027188 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCOCC1
BDBM50027190 CCN(CCO)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC
BDBM50027191 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCN1CCC(CCO)CC1
BDBM50027189 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50027192 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
BDBM50027228 COc1cc2c(Nc3ncc(SCc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM50295902 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
BDBM50295903 Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|
BDBM50295904 O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
BDBM50304193 COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1
BDBM50304194 COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304195 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304196 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304197 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304198 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304199 COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(F)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304200 COc1cc2c(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304201 COc1cc2c(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304202 COc1cc2c(Oc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304203 COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304204 COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCCC1
BDBM50304205 COc1cc2ncnc(Nc3ccc(cc3O)-c3nc4ccccc4s3)c2cc1OC
BDBM50304206 COc1cc(ccc1Nc1ncnc2cc(OC)c(OC)cc12)-c1nc2ccccc2s1
BDBM50304207 COc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304208 COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304209 COc1cc2c(Nc3ccc(cc3O)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304210 COc1cc2c(Nc3ccc(cc3OC(F)(F)F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50305006 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50304211 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304212 COc1ccc2nc(sc2c1)-c1ccc(Nc2ncnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)cc1
BDBM50304213 COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304214 COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304215 COc1cc(ccc1-c1nc2ccccc2s1)N(C)c1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12
BDBM50304216 COc1cc2ncnc(Nc3ccc(cc3O)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50304217 COc1cc(ccc1Nc1ncnc2cc(OC)c(OCCCN3CCN(C)CC3)cc12)-c1nc2ccccc2s1
BDBM50304218 COc1cc2ncnc(Nc3ccc(cc3F)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50304219 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OCCCN1CCN(C)CC1
BDBM50304220 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1
BDBM50304221 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)c2cc1OCCCN1CCN(C)CC1
BDBM50304222 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)c2cc1OCCCN1CCN(C)CC1
BDBM50304223 COc1cc2ncnc(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50304224 COc1cc2ncnc(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)c2cc1OCCCN1CCN(C)CC1
BDBM50304225 COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50304226 COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50310607 Clc1ccc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
BDBM50310608 FC(F)(F)c1ccc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
BDBM50310614 C(Cc1ccc(Nc2nc3ccccc3[nH]2)cc1)Nc1ncnc2ccsc12
BDBM50310618 FC(F)(F)c1ccc2nc(Nc3ncc(CCNc4ncnc5ccsc45)s3)[nH]c2c1
BDBM50310619 C(Cc1cnc(Nc2nc3ccccc3[nH]2)s1)Nc1ncnc2ccsc12
BDBM50310620 Clc1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
BDBM50310621 FC(F)(F)c1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
BDBM50310622 Fc1cc(CCNc2ncnc3ccsc23)ccc1Nc1nc2ccc(cc2[nH]1)C(F)(F)F
BDBM50306677 C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306683 C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306684 C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
BDBM50307506 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
BDBM50307507 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
BDBM50307508 CN(O)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50307509 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3)nc-21
BDBM50307510 Cn1nc(C(=O)N(O)C2CCCCC2)c2CCc3cnc(NC4CCCC4)nc3-c12
BDBM50307511 NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccc1
BDBM50307512 Cn1nc(C(=O)N(O)Cc2ccccc2)c2CCc3cnc(NC4CCCC4)nc3-c12
BDBM50307513 Cn1nc(C(N)=O)c2CCc3cnc(NCCO)nc3-c12
BDBM50307514 Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccn4)nc3-c12
BDBM50307515 CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50307516 NC(=O)c1nn(CCO)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50306874 Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
BDBM50307518 Cn1nc(C(N)=O)c2CCc3cnc(NCCN4CCOCC4)nc3-c12
BDBM50307519 Cn1nc(C(N)=O)c2CCc3cnc(NCCN4CCCCC4)nc3-c12
BDBM50307520 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCCC4)nc3-c12
BDBM50307521 CCN1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50307522 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
BDBM50307523 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50307524 CC(CN(C)C)NC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50307525 CN(C)CCN(C)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50307526 CN1CCN(CC1)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50307527 NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50307528 NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccn1
BDBM50307529 NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50307530 CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
BDBM50307531 CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21
BDBM50307532 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCCC3)nc-21
BDBM50307533 CN1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50307534 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(C)CC3)nc-21
BDBM50307535 CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50307536 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(C)=O)nc-21
BDBM50307537 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21
BDBM50307538 NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccc(cc1)S(N)(=O)=O
BDBM50307539 CC(=O)Nc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
BDBM50307540 Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(cc4)S(C)(=O)=O)nc3-c12
BDBM50307541 Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccc4)nc3-c12
BDBM50307542 COc1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
BDBM50307543 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(C)(=O)=O)nc3-c12
BDBM50307544 CN1CCN(CC1)c1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
BDBM50307545 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(=O)(=O)c4ccccc4)nc3-c12
BDBM50307546 CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50307547 COc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
BDBM50307548 Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(Br)cc4)nc3-c12
BDBM50307549 Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccncc4)nc3-c12
BDBM50307550 CC(=O)N1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
BDBM50307551 CN1CCN(CC1)c1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
BDBM50307552 Cn1nc(C(N)=O)c2CCc3cnc(NCc4cccnc4)nc3-c12
BDBM50307553 COc1ccc(cc1)-n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
BDBM50307554 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)N3CCN(C)CC3)nc-21
BDBM50307555 CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(=O)NC
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50307987 CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50307517 Cn1nc(C(N)=O)c2CCc3cnc(N)nc3-c12
BDBM50306888 COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50315769 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
BDBM50315888 O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
BDBM50316502 O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nn(CC(=O)N2CCOCC2)cc1-c1ccnc2[nH]ccc12
BDBM50316503 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(NC(C)=O)c1
BDBM50316470 CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
BDBM50316471 CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1
BDBM50316472 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1
BDBM50316473 CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1
BDBM50316474 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1
BDBM50316475 CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCCC2)cc1
BDBM50316476 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCCC2)cc1
BDBM50316477 CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1
BDBM50316478 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1
BDBM50316479 CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
BDBM50316480 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
BDBM50316481 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCN1CCOCC1
BDBM50316482 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCCN1CCN(C)CC1
BDBM50316483 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCN1CCN(C)CC1
BDBM50316484 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CN(C)C)cc12
BDBM50316485 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCO)cc12
BDBM50316486 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCN(C)C)cc12
BDBM50316487 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCS(C)(=O)=O)cc12
BDBM50316488 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCN3CCOCC3)cc12
BDBM50316489 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCCN3CCN(C)CC3)cc12
BDBM50316490 O=C(Nc1ccccc1)Nc1ccc(cc1)-c1n[nH]cc1-c1ccnc2[nH]ccc12
BDBM50316491 CCn1ncc(c1-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316492 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316493 CC(C)(C)n1ncc(c1-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316494 CC(C)(C)n1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316495 FC(F)(F)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316496 OCCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316497 OCC(O)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316498 OCCCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316500 NC(=O)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316501 CCNC(=O)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
BDBM50316504 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(NC(C)=O)cc1
BDBM50316505 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
BDBM50316506 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cc(CN(C)C)ccc1C
BDBM50316507 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1
BDBM50316508 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1C
BDBM50316509 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1
BDBM50316510 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1
BDBM50316512 CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
BDBM50315772 CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]ccc12
BDBM50315832 CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(-c5cc(C)cc(N)c5)c(C)c34)c2)CC1
BDBM50315833 CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(C#N)c(C)c34)c2)CC1
BDBM50315834 O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
BDBM50315835 COc1ccc(OC)c(CC(=O)Nc2cc3c(\C=C\c4ccccc4)n[nH]c3cc2C)c1
BDBM50315836 CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)c(C)c34)c2)CC1
BDBM50315837 CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)cc34)c2)CC1
BDBM50315838 CN1CCN(Cc2cccc(\C=C\c3n[nH]c4cc(C)c(NC(=O)Cc5cccs5)cc34)c2)CC1
BDBM50315839 CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(C)c(NC(=O)Cc4cccs4)cc23)c1
BDBM50315840 O=C(Cc1cccs1)Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
BDBM50315841 CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1
BDBM50315842 Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
BDBM50315843 [O-][N+](=O)c1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
BDBM50315844 C(Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1)c1ccccn1
BDBM50315845 CN1CCN(CC1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NCc1ccccn1
BDBM50315846 C1CCN(C1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1-c1ccncc1
BDBM50315847 Cc1cc2[nH]nc(C#Cc3ccccc3)c2cc1NC(=O)Cc1cccs1
BDBM50315848 Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1cccs1
BDBM50315849 O=C(Cc1ccccc1)Nc1ccc2[nH]nc(C3CC3c3ccccc3)c2c1
BDBM50315850 Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1ccccc1
BDBM50315851 O=C(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
BDBM50315852 O=C(Cc1ccccc1)Nc1ccc2[nH]nc(CCc3ccccc3)c2c1
BDBM50319569 CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12
BDBM50319570 CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
BDBM50319571 CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1
BDBM50319572 CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
BDBM50319573 CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
BDBM50319574 CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12
BDBM50319615 CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
BDBM50319616 CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
BDBM50319617 CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50319618 CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50319619 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50319620 CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
BDBM50319621 CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
BDBM50319622 CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
BDBM50319623 COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
BDBM50319624 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
BDBM50319625 CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
BDBM50319626 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
BDBM50319627 CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
BDBM50327046 Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
BDBM50328420 N(c1ccccc1)c1nc(cn2ccnc12)-c1cccnc1
BDBM50328421 C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1
BDBM50328422 COc1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1
BDBM50328423 Clc1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1
BDBM50328424 CC(=O)Nc1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1
BDBM50328425 O=C(Nc1ccc(Nc2nc(cn3ccnc23)-c2cccnc2)cc1)c1ccccc1
BDBM50328426 COc1ccc(Nc2nc(cn3ccnc23)-c2ccn(C)n2)cc1
BDBM50328427 COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(N)c2)cc1
BDBM50328428 COCC(=O)Nc1cccc(c1)-c1cn2ccnc2c(Nc2ccc(OC)cc2)n1
BDBM50328429 COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(NC(=O)Nc3ccccc3)c2)cc1
BDBM50328430 COc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(Nc3ccc(OC)cc3)n2)cc1
BDBM50328431 COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1
BDBM50328432 COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(NS(=O)(=O)c3cccnc3)c2)cc1
BDBM50328433 Cc1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(cn12)-c1cccnc1
BDBM50328434 Brc1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(cn12)-c1cccnc1
BDBM50328435 C1CN(CCO1)c1ccc(Nc2nc(cn3c(cnc23)-c2cccnc2)-c2cccnc2)cc1
BDBM50328436 Clc1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(cn12)-c1cccnc1
BDBM50327912 O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
BDBM50327913 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)Nc1ccccc1
BDBM50327914 C[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1)c1ccccc1 |r|
BDBM50327915 C[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r|
BDBM50327916 CC(C)NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1
BDBM50327917 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC1CCc2ccccc12
BDBM50327918 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC(c1ccccc1)c1ccccc1
BDBM50327919 CCNC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1
BDBM50327920 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC1CCCc2ccccc12
BDBM50327921 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC(C)(C)c1ccccc1
BDBM50327922 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NCc1ccccc1
BDBM50327923 CC[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r|
BDBM50327924 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)N[C@H](CN1CCCC1)c1ccccc1 |r|
BDBM50327925 O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
BDBM50327926 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 |r|
BDBM50327927 O=C(NCc1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
BDBM50327928 CC[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r|
BDBM50327929 C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r|
BDBM50327930 C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1)c1ccccc1 |r|
BDBM50321892 COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
BDBM50317161 Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
BDBM50318568 COc1ccc(cc1)-c1nc2ncc(C3CC3)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
BDBM50318569 CN(C)c1ccc(cc1)-c1nc2ncc(C#N)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
BDBM50318570 CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
BDBM50318571 Brc1cnc2nc[nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1
BDBM50318572 CN(C)Cc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
BDBM50318573 Brc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccccc1
BDBM50318574 COc1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
BDBM50318575 Clc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccc(CN2CCOCC2)cc1
BDBM50318576 CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCNCC3)c2[nH]1
BDBM50318577 CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1
BDBM50318578 CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4cccnc4)CC3)c2[nH]1
BDBM50318579 CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)c2[nH]1
BDBM50318580 CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)C(=O)Nc3ccccc3)c2[nH]1
BDBM50318581 CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)S(=O)(=O)c3ccccc3)c2[nH]1
BDBM50318582 CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)c3ccccc3)c2[nH]1
BDBM50318583 CC(C)CN1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C
BDBM50318584 CC(N1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccncc1
BDBM50318585 CC(N1CCN(CC1)c1c(Cl)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccccc1
BDBM50318586 CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccncc4)CC3)c2[nH]1
BDBM50318587 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cccnc4)CC3)c2[nH]1
BDBM50318588 Brc1cnc2nc([nH]c2c1N1CCN(Cc2cccnc2)CC1)-c1ccc(CN2CCOCC2)cc1
BDBM50318589 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1
BDBM50318590 Brc1cnc2nc([nH]c2c1N1CCN(Cc2cncnc2)CC1)-c1ccc(CN2CCOCC2)cc1
BDBM50318591 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
BDBM50318592 Clc1ccc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)cc1
BDBM50318593 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC4CC4)CC3)c2[nH]1
BDBM50318594 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50318595 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)no1
BDBM50318596 CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50318597 CN1CCN(CC1)c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50318598 CC(C)c1nc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)co1
BDBM50318599 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4nccn4C)CC3)c2[nH]1
BDBM50318600 Cn1ccnc1CN1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(CN2CCOCC2)cc1
BDBM50318601 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cscn4)CC3)c2[nH]1
BDBM50318602 Brc1cnc2nc([nH]c2c1N1CCN(Cc2cscn2)CC1)-c1ccc(CN2CCOCC2)cc1
BDBM50318603 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCNCC3)cc2)no1
BDBM50318604 CN(C)Cc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50318605 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN)cc2)no1
BDBM50318606 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(CN)cc2)no1
BDBM50318607 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(OCCO)cc2)no1
BDBM50318608 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(OCCO)cc2)no1
BDBM50318609 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)N2CCNCC2)no1
BDBM50318610 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)N2CCN(Cn3cccn3)CC2)no1
BDBM50318611 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)N2CCN(Cn3cccn3)CC2)no1
BDBM50318061 CNc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50318062 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4F)nc3-c12
BDBM50318063 COc1cc(ccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
BDBM50318064 CC(=O)Nc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50318065 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Oc4ccccc4)nc3-c12
BDBM50318066 COC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50318067 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4S(N)(=O)=O)nc3-c12
BDBM50318068 CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1C(C)=O
BDBM50318069 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4-c4ccccc4)nc3-c12
BDBM50318070 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(=O)c4ccccc4)nc3-c12
BDBM50318071 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Sc4ccccc4)nc3-c12
BDBM50318072 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(N)=O)nc3-c12
BDBM50318073 CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c(c1)C(C)=O
BDBM50318074 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4N)nc3-c12
BDBM50318075 CCOC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM50318076 CSc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50318077 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(F)(F)F)nc3-c12
BDBM50318078 CC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50318079 CN1CCN(CC1)c1ccc(C(C)=O)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
BDBM50318080 Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM50318081 COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50318082 CC(C)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50318083 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Nc4ccccc4)nc3-c12
BDBM50318084 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Cc4ccccc4)nc3-c12
BDBM50318085 Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50318087 NC(=O)c1[nH]nc-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM50318088 CC(=O)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
BDBM50318089 CC(=O)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
BDBM50318090 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c12
BDBM50318091 COc1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
BDBM50318092 NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM50318093 COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
BDBM50318094 Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c12
BDBM50318095 Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)C(F)(F)F)nc3-c12
BDBM50318096 NC(=O)c1nn(C2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM50318097 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c12
BDBM50318098 NC(=O)c1nn(c-2c1CCc1cnc(Nc3ccccc3)nc-21)-c1ccccc1
BDBM50318099 NC(=O)c1nn(CCN2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM50318100 CC(C)n1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM50318101 CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM50318102 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4[N+]([O-])=O)nc3-c12
BDBM50324250 CC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1CCC(O)=O |w:8.7|
BDBM50324251 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(Br)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324252 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)[N+]([O-])=O)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324253 COc1cc(ccc1O)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:17.18|
BDBM50324254 COc1ccc(cc1OC)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:18.19|
BDBM50324255 CC(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12|
BDBM50324256 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324257 CCS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13|
BDBM50324258 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)CC=C)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324259 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccccc2)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324260 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccc(F)cc2)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324261 NS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12|
BDBM50324262 CNS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13|
BDBM50324263 CN(C)S(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14|
BDBM50324264 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324265 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324266 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCOCC2)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324267 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324268 CCS(=O)(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14|
BDBM50324269 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324270 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324271 CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
BDBM50324272 O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCCC1 |w:6.5|
BDBM50324273 O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5|
BDBM50324274 CNC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
BDBM50324275 O=C(CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5|
BDBM50324276 O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2CCCC(=O)c2c1CCCN1CCCC1 |w:20.23|
BDBM50324277 CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7|
BDBM50324278 CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:10.9|
BDBM50324279 CN(C)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:8.7|
BDBM50324280 CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:10.9|
BDBM50324281 CCOC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12 |w:9.8|
BDBM50324282 CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc23)[nH]c2CCCC(=O)c12 |w:9.8|
BDBM50324283 OC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324284 OC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
BDBM50324285 CC1(C)Cc2[nH]c(C=C3C(=O)Nc4ccc(F)cc34)c(CCC(O)=O)c2C(=O)C1 |w:7.6|
BDBM50324796 [O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
BDBM50324797 Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)cc1
BDBM50322802 C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1
BDBM50322803 OC1CCN(CC1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
BDBM50322804 C(CN1CCOCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
BDBM50322805 C(Cc1cnc[nH]1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
BDBM50322806 CCOC(=O)CCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
BDBM50322807 Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50322808 C[C@@H](CO)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 |r|
BDBM50322809 OCCOCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
BDBM50322810 C(Cc1ccccn1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
BDBM50322811 COC1OC(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)(OC)C=C1 |c:34|
BDBM50322812 CC1CN(CC(C)N1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
BDBM50322813 Oc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50322814 C[C@@H](O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 |r|
BDBM50322815 Nc1ccc(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50322816 O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50322817 O=C(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1
BDBM50322818 O=S(=O)(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1
BDBM50322819 O=C(CCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Nc1ccccc1
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
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|
BDBM50313604 Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
BDBM50312990 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(F)ccc12 |t:4|
BDBM50312605 Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O
BDBM50312613 CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
BDBM50339006 Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
BDBM50340121 COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
BDBM50340143 C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
BDBM50330546 COc1ccc(NC(=O)C2C(c3ccco3)c3cn[nH]c3N=C2C)cc1 |c:23|
BDBM50330547 COc1ccc(NC(=O)C2C(c3cccs3)c3cn[nH]c3N=C2C)cc1 |c:23|
BDBM50330548 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccccc1 |t:1|
BDBM50330549 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 |t:1|
BDBM50330550 CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |c:13,t:1|
BDBM50330551 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |t:1|
BDBM50330552 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1cccs1 |t:1|
BDBM50330553 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1 |t:1|
BDBM50330554 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1|
BDBM50330555 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 |t:1|
BDBM50330556 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1cccs1 |t:1|
BDBM50330557 CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1|
BDBM50330558 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1|
BDBM50330559 CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1|
BDBM50330560 COc1ccc(NC(=O)C2C(c3ccco3)n3c(nc4ccccc34)N=C2C)cc1 |c:28|
BDBM50330561 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1|
BDBM50330562 COc1ccc(NC(=O)C2C(c3cn[nH]c3N=C2C)c2ccccc2)cc1 |c:17|
BDBM50330563 CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1|
BDBM50330564 CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1|
BDBM50330565 CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50331612 COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
BDBM50337135 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
BDBM50341519 CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
BDBM50341239 C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)C(=O)Nc1ccccc1 |r|
BDBM50341240 C[C@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
BDBM50341241 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)Nc1ccccc1 |r|
BDBM50341242 C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)NC1CCCCC1 |r|
BDBM50341243 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 |r|
BDBM50341244 C[C@@H]1CO[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
BDBM50341245 CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
BDBM50341246 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](OC[C@H]1C)C(=O)NC1CCCCC1 |r|
BDBM50341247 CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)NC1CCCCC1 |r|
BDBM50341248 C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
BDBM50341249 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](C)C[C@H](C1)N(C)C(=O)OC(C)(C)C |r|
BDBM50341250 C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)N(C)C(=O)CC(C)(C)C |r|
BDBM50335318 Cc1cc(Nc2nn(C)c(=O)c3ccccc23)[nH]n1
BDBM50335319 Cc1cc(Nc2n[nH]c(=O)c3ccccc23)[nH]n1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50333656 Clc1cccc(C(=O)N2CCN(Cc3cccc(Nc4nccs4)c3)CC2)c1Cl
BDBM50333657 Fc1c(cccc1C(F)(F)F)C(=O)N1CCN(Cc2cccc(Nc3ccn[nH]3)n2)CC1
BDBM50333658 Cc1ccc(cc1)-c1nnc(Nc2ccc(Oc3ncccc3-c3cn[nH]c3N)cc2)c2ccccc12
BDBM50333659 COc1ccc(cc1OC)-c1cc(C(=O)Nc2ccc(C)cc2C)c2c(n[nH]c2n1)-c1ccccc1
BDBM50333660 CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(nc2C)-c2ccc(Cl)cc2)c1
BDBM50333661 COc1ccc2cc([nH]c2c1)C(=O)C1CCC(CC1)C(C)C(=O)NCCC1=CCCCC1 |t:29,(-9.77,-30.03,;-9.8,-28.49,;-8.48,-27.7,;-7.13,-28.45,;-5.8,-27.66,;-5.83,-26.11,;-4.7,-25.05,;-5.36,-23.65,;-6.9,-23.84,;-7.19,-25.37,;-8.5,-26.16,;-4.62,-22.3,;-5.42,-20.98,;-3.08,-22.26,;-2.29,-23.58,;-.76,-23.55,;-.01,-22.2,;-.81,-20.88,;-2.35,-20.91,;1.53,-22.17,;2.27,-20.83,;2.32,-23.49,;1.58,-24.84,;3.86,-23.46,;4.66,-24.78,;6.2,-24.75,;6.99,-26.07,;8.53,-26.03,;9.32,-27.36,;8.57,-28.71,;7.03,-28.73,;6.24,-27.41,)|
BDBM50333662 COc1ccc(OCC(O)Cn2c(N=NCc3ccccc3O)nc3n(C)c(=O)[nH]c(=O)c23)cc1 |w:13.12|
BDBM50333663 CCOc1ccc2nc(Nc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1
BDBM50333664 Cc1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2N)cc1
BDBM50333665 CCOc1ccc(NC(=O)Cn2c(Nc3ccc(OCC)cc3)nc3n(C)c(=O)[nH]c(=O)c23)cc1
BDBM50333666 COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(C)cc1C
BDBM50333667 COc1ccc2sc(SCC(=O)Nc3ncc(Br)s3)nc2c1
BDBM50331277 COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
BDBM50343936 CC(C)C(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)c2C#N)cc1
BDBM50343937 CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C)c2C#N)cc1
BDBM50343938 CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
BDBM50343939 C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
BDBM50343940 C[C@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
BDBM50343941 CCCCCCSc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
BDBM50343942 Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1
BDBM50343943 Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCN)n2)[nH]n1
BDBM50343945 Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)[nH]n1
BDBM50343946 Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)[nH]n1
BDBM50343947 Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1
BDBM50343944 Cc1cc(Nc2cc(C)c(C#N)c(NCCO)n2)[nH]n1
BDBM50343559 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
BDBM50344664 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
BDBM50329427 NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
BDBM50340955 Oc1ccc(C2=CC(=O)c3c(O)cccc3C2=O)c(O)c1 |t:5|
BDBM50340956 Oc1ccc(C2=CC(=O)c3c(O)ccc(O)c3C2=O)c(O)c1O |t:5|
BDBM50340957 Oc1ccc(C2=CC(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(O)c1O |t:5|
BDBM50329196 C[C@H]1CN(C[C@@H](C)O1)C1(CC1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
BDBM50329932 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12
BDBM50335374 COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
BDBM50335607 CC(=O)c1cccc(c1)-c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50334594 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
BDBM50335315 Cc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)[nH]n1
BDBM50335316 O=c1n(nc(Nc2n[nH]c3ccccc23)c2ccccc12)-c1ccccc1
BDBM50335317 CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
BDBM50335608 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCNCC2)no1
BDBM50335609 CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50336316 Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
BDBM50335320 Cc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)[nH]n1
BDBM50335321 Cc1cc(Nc2nn(Cc3ccncc3)c(=O)c3ccccc23)[nH]n1
BDBM50335322 COc1cccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)c1
BDBM50335323 CC(C)n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
BDBM50335324 Cc1cc(Nc2nn(Cc3ccc(cc3)S(C)(=O)=O)c(=O)c3ccccc23)[nH]n1
BDBM50335325 CC(C)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
BDBM50335326 CC(=O)Nc1ccc(Cn2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
BDBM50335327 COc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
BDBM50335328 COc1cccc(c1)C(=O)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
BDBM50335329 Cc1cc(Nc2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
BDBM50335330 Cc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)[nH]n1
BDBM50335331 COc1ccc(cc1)-n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
BDBM50335332 Cc1cc(Nc2nn(-c3ccc(C)cc3)c(=O)c3ccccc23)[nH]n1
BDBM50335333 Cc1cc(Nc2nn(-c3cccc(C)c3)c(=O)c3ccccc23)[nH]n1
BDBM50335334 Cc1cc(Nc2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
BDBM50335335 Cc1cc(Nc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]n1
BDBM50335336 Cc1cc(Nc2nn(Cc3cc(F)cc(F)c3)c(=O)c3ccccc23)[nH]n1
BDBM50335337 COc1ccc(cc1)C(=O)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
BDBM50335338 Cc1cc(Nc2nn(CC(=O)c3ccc(cc3)C(F)(F)F)c(=O)c3ccccc23)[nH]n1
BDBM50335339 Cc1cc(Nc2nn(-c3ccc(cc3)C(C)(C)C)c(=O)c3ccccc23)[nH]n1
BDBM50335340 Cc1cc(Nc2nn(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3ccccc23)[nH]n1
BDBM50335341 Cc1ccc(cc1)-n1nc(Nc2ccn[nH]2)c2ccccc2c1=O
BDBM50335610 CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50335611 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(Cn3cccn3)cc2)no1
BDBM50335612 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(Cn3cccn3)cc2)no1
BDBM50335613 c1ccc(nc1)-c1ccc(cc1)-c1nc2ncccc2[nH]1
BDBM50335614 CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1
BDBM50335615 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccncc4)CC3)c2[nH]1
BDBM50335616 COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4coc(n4)C(C)C)CC3)c2[nH]1
BDBM50335617 Brc1cnc2nc([nH]c2c1N1CCN(Cc2ccncc2)CC1)-c1ccc(CN2CCOCC2)cc1
BDBM50352492 COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
BDBM50352493 COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
BDBM50352494 COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
BDBM50353271 COc1ccc(cc1)-c1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
BDBM50353272 Brc1c(nn2c(-c3ccccc3)c(cnc12)S(=O)(=O)c1ccccc1)-c1ccccc1
BDBM50353273 O=S(=O)(c1ccccc1)c1cnc2cc(nn2c1-c1ccccc1)-c1ccccc1
BDBM50353274 Cc1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
BDBM50353275 O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccccc1
BDBM50353276 Clc1ccc(cc1)-c1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1
BDBM50353277 Clc1ccc(cc1)-c1c(cnc2ncnn12)S(=O)(=O)c1ccccc1
BDBM50352318 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352319 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cccc(F)c4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352320 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352321 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C(C4)N=O)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352322 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352323 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352324 CC(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r|
BDBM50352325 COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r|
BDBM50352326 CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r|
BDBM50352327 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C(F)(F)F)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352328 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](F)C4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352329 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352330 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](N)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352331 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352332 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352760 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM50352200 CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
BDBM50352201 CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
BDBM50352202 CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
BDBM50352203 CN(C)CCN(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1)S(C)(=O)=O
BDBM50352204 CS(=O)(=O)N(CCN1CCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
BDBM50352205 CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
BDBM50352206 CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
BDBM50352207 CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)nc1)S(C)(=O)=O
BDBM50352208 CS(=O)(=O)N(CCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
BDBM50352209 CC(C)N(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1)S(C)(=O)=O
BDBM50352210 CS(=O)(=O)N(CCCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
BDBM50352211 CS(=O)(=O)N(CCCN1CCCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
BDBM50352212 CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
BDBM50352213 CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
BDBM50352214 CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
BDBM50352215 CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
BDBM50352297 Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cccc23)n[nH]1
BDBM50352298 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352299 Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CCN4CCCCC4)cc23)[nH]n1
BDBM50352300 Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCOCC4)cc23)[nH]n1
BDBM50352301 Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1
BDBM50352302 Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCC[C@@H]4CO)cc23)[nH]n1 |r|
BDBM50352303 CN1CCN(CC1)C(=O)C(=O)Nc1cc2c(Nc3cc(C)n[nH]3)nc(Sc3ccc(NC(=O)C4CC4)cc3)nn2c1
BDBM50352304 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@@H]4CO)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352305 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352306 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H]5C[C@H]5[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352307 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352308 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352309 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352310 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352311 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352312 CN(C)CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccn3n2)cc1
BDBM50352491 COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
BDBM50352313 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCOCC4)cc3)nn3cccc23)n[nH]1
BDBM50352314 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CNC4CCCC4)cc3)nn3cccc23)n[nH]1
BDBM50352315 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CNC4CC4)cc3)nn3cccc23)n[nH]1
BDBM50352316 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cc(F)cc(F)c4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50352317 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4F)cc3)nn3cccc23)n[nH]1 |r|
BDBM50346918 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
BDBM50345579 CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C
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,)|
BDBM50358288 Cn1cc(cn1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
BDBM50358289 O=c1[nH]ccc2c(Cc3nnc4ccc(nn34)-c3ccccc3)cccc12
BDBM50349094 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21
BDBM50349095 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
BDBM50349096 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM50349097 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC)nc-21
BDBM50349098 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
BDBM50349099 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(N)=O)nc-21
BDBM50349100 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21
BDBM50349090 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
BDBM50349091 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
BDBM50349092 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N(C)C)nc-21
BDBM50349093 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC(CC3)N(C)C)nc-21
BDBM50349101 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
BDBM50349102 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
BDBM50349103 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NCCN(C)C)nc-21
BDBM50349104 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NCCN(C)C)nc-21
BDBM50349105 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
BDBM50349106 CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
BDBM50349107 Cn1nc(C(=O)NCCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM50348622 Cc1cc(Nc2nccn3c(cnc23)-c2cnn(C)c2)sn1
BDBM50348623 CC(C)c1cc(Nc2nccn3c(cnc23)-c2cnn(C)c2)sn1
BDBM50348624 Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCNCC3)nccn12
BDBM50348625 Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCN(CC3)S(C)(=O)=O)nccn12
BDBM50348626 Cc1nsc(Nc2nccn3c(cnc23)-c2cnn(C)c2)n1
BDBM50348627 Cc1csc(Nc2nccn3c(cnc23)-c2cnn(C)c2)n1
BDBM50348628 Cc1csc(Nc2nccn3c(cnc23)-c2cnn(C)c2)c1
BDBM50348629 CN(C)c1cccc(Nc2nccn3c(cnc23)-c2cnn(C)c2)c1
BDBM50348630 CN(C)S(=O)(=O)c1ccc(Nc2nccn3c(cnc23)-c2cnn(C)c2)cc1
BDBM50348631 CS(=O)(=O)N1CCC(CC1)c1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)sn1
BDBM50348632 O=S(=O)(N1CCOCC1)c1ccc(Nc2nccn3c(cnc23)-c2cn[nH]c2)cc1
BDBM50348633 Cc1cc(Nc2nc(CN3CCOCC3)cn3c(cnc23)-c2cn[nH]c2)sn1
BDBM50348634 Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C(F)(F)F)sn1
BDBM50348635 Cc1cc(Nc2nc(CCN)cn3c(cnc23)-c2cn[nH]c2)sn1
BDBM50348636 Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)sn1
BDBM50348637 Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C#N)sn1
BDBM50348638 Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)-c2cccnc2)sn1
BDBM50348639 Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)=O)sn1
BDBM50348640 Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)S(C)(=O)=O)sn1
BDBM50348641 CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
BDBM50348642 CN(C)CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
BDBM50348643 Cc1cc(Nc2nc(SC(C)(C)C)cn3c(cnc23)-c2cn[nH]c2)sn1
BDBM50348644 Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(cnc23)-c2cn[nH]c2)sn1
BDBM50348645 Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C(=O)N2CCCC2)sn1
BDBM50347659 CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
BDBM50349001 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
BDBM50349002 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
BDBM50349003 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
BDBM50349004 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2cccc(C)c2)c1
BDBM50349006 COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
BDBM50349007 CCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
BDBM50349008 CCCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
BDBM50349009 CC(C)S(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
BDBM50349010 CN1CCN(CC1)c1cccc(c1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
BDBM50349011 O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(c1)N1CCOCC1
BDBM50349012 O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(cc1)N1CCOCC1
BDBM50349013 O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(OCCN2CCCC2)cc1
BDBM50349015 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)nc(C)n1
BDBM50349016 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nc(C)n1
BDBM50349017 CCCCS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2cc(nc(C)n2)N2CCN(C)CC2)[nH]n1
BDBM50349018 Cc1nc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc(n1)N1CCC(O)CC1
BDBM50349019 Cc1nc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc(n1)N1CCN(CCO)CC1
BDBM50349020 CN(C)CCNc1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)nc(C)n1
BDBM50349021 Cc1nc(NCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
BDBM50349022 Cc1nc(NCCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
BDBM50349023 O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(CN2CCOCC2)cc1
BDBM50349027 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1
BDBM50359359 CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50363167 Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
BDBM50360610 C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
BDBM50360453 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
BDBM50355464 COc1ccc(Nc2nc(N)n(n2)-c2ccccn2)cc1OC
BDBM50355465 COc1ccccc1Nc1nc(N)n(n1)-c1ccccn1
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
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
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|
BDBM50355467 COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
BDBM50355468 Nc1nc(Nc2cc(ccc2F)N2CCOCC2)nn1-c1ccccn1
BDBM50355469 Nc1nc(Nc2ccccc2Cl)nn1-c1ccc(cn1)C#N
BDBM50355470 COc1cc(ccc1Nc1nc(N)n(n1)-c1ccc(cn1)C#N)N1CCOCC1
BDBM50355479 COc1ccccc1Nc1nc(N)n(n1)-c1cc(NCCN(C)C)ncn1
BDBM50355550 NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50355466 Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
BDBM50349877 CN1CCN(CC1)c1ccc(cc1)-c1cc2n(C)nc(N)c2c(=O)[nH]1
BDBM50363995 [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
BDBM50363996 C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O |r|
BDBM50363997 CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r|
BDBM50363992 CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O)[C@@H](C)O |r,wU:8.8,22.24,36.44,43.48,54.80,75.82,4.3,wD:64.73,58.63,(38.16,-16.42,;38.17,-14.87,;39.66,-14.47,;37.4,-13.53,;35.86,-13.54,;35.08,-12.21,;34.64,-9.81,;33.14,-9.8,;35.09,-8.4,;36.53,-7.83,;37.86,-8.61,;38.02,-10.14,;39.53,-10.46,;40.3,-9.13,;41.78,-8.82,;42.26,-7.37,;41.24,-6.22,;39.74,-6.54,;39.27,-7.99,;33.75,-7.6,;33.76,-6.06,;35.1,-5.31,;32.51,-5.39,;32.57,-3.85,;33.93,-3.12,;35.32,-3.79,;36.4,-2.68,;35.67,-1.31,;36.2,.13,;35.2,1.31,;33.68,1.04,;33.16,-.41,;34.15,-1.58,;31.1,-6.01,;29.77,-5.25,;29.77,-3.71,;28.43,-6,;27,-5.6,;26.16,-6.83,;27.08,-8,;28.48,-7.48,;29.76,-8.35,;31.14,-7.67,;29.75,-9.89,;28.4,-10.64,;27.07,-9.85,;25.72,-10.6,;24.39,-9.81,;23.03,-10.57,;21.71,-9.78,;23.01,-12.11,;31.08,-10.66,;31.07,-12.2,;32.4,-12.99,;29.73,-12.97,;29.72,-14.51,;28.38,-15.27,;27.06,-14.5,;28.38,-16.81,;27.04,-17.58,;29.71,-17.59,;31.04,-16.82,;32.46,-17.56,;33.79,-16.78,;35.12,-17.56,;35.88,-16.22,;35.1,-14.89,;33.56,-14.91,;35.89,-18.89,;37.43,-18.89,;35.12,-20.22,;35.89,-21.55,;35.13,-22.88,;35.89,-24.23,;33.59,-22.88,;28.39,-12.19,;27.05,-12.96,;27.29,-11.09,)|
BDBM50363993 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r,wU:61.69,8.8,4.3,19.20,30.35,47.49,wD:37.39,43.73,(42.83,.75,;42.77,-.8,;44.08,-1.62,;41.41,-1.51,;41.35,-3.05,;39.94,-3.69,;38.6,-2.92,;38.6,-1.37,;37.27,-3.68,;35.92,-2.92,;35.91,-1.38,;37.24,-.6,;37.22,.94,;35.87,1.7,;34.55,.9,;34.57,-.64,;37.31,-5.17,;35.95,-5.94,;34.63,-5.16,;35.93,-7.51,;34.59,-8.27,;33.26,-7.48,;31.92,-8.24,;30.59,-7.46,;30.6,-5.92,;29.27,-5.14,;31.95,-5.16,;37.29,-8.3,;37.29,-9.84,;38.62,-10.61,;35.94,-10.61,;34.48,-10.14,;33.58,-11.39,;34.48,-12.63,;35.95,-12.15,;37.28,-12.92,;38.62,-12.15,;37.28,-14.47,;35.94,-15.23,;38.61,-15.24,;39.95,-14.47,;41.29,-15.24,;42.63,-14.47,;43.96,-15.24,;44.72,-13.91,;43.94,-12.57,;42.4,-12.58,;44.7,-11.24,;46.24,-11.23,;47.03,-12.55,;46.42,-13.96,;47.57,-14.99,;48.89,-14.2,;50.35,-14.67,;51.49,-13.63,;51.15,-12.13,;49.69,-11.68,;48.57,-12.7,;43.92,-9.9,;43.48,-7.49,;41.98,-7.47,;43.77,-6.03,;44.86,-5.16,;44.35,-3.84,;42.95,-3.93,;42.59,-5.27,;42.6,-3.74,;43.92,-2.95,;44.73,-16.58,;46.27,-16.58,;43.96,-17.92,;44.73,-19.26,;43.97,-20.59,;44.73,-21.93,;42.42,-20.59,)|
BDBM50363994 CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r|
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
BDBM50361090 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1
BDBM50361091 Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O
BDBM50361092 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1
BDBM50361093 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1
BDBM50361094 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1
BDBM50361095 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1
BDBM50361096 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1
BDBM50361097 NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
BDBM50361098 Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O
BDBM50361642 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
BDBM50361643 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12 |r|
BDBM50361644 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12 |r|
BDBM50361196 CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
BDBM50375655 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(O)c1c(F)cccc1F |w:17.19|
BDBM50375992 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3(C)CC3)c2cc1OC
BDBM50375993 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCC3)c2cc1OC
BDBM50375994 COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
BDBM50375995 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1C(N)=O
BDBM50375996 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
BDBM50375997 COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
BDBM50375998 COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
BDBM50375999 COc1ccc2c(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)ccnc2c1
BDBM50376000 COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
BDBM50376001 COCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
BDBM50376002 COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
BDBM50376003 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
BDBM50376004 COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
BDBM50376005 COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
BDBM50376006 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
BDBM50376007 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)(C)C)c2cc1OC
BDBM50376008 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
BDBM50376009 CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
BDBM50376010 CCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
BDBM50376011 CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
BDBM50376012 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC3CC3)c2cc1OC
BDBM50376013 COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
BDBM50372018 CC(=O)Nc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1
BDBM50372019 COc1ccccc1CN1Cc2c(nc3cc([nH]n3c2=O)-c2ccco2)C1=O
BDBM50372020 COc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1
BDBM50372021 COc1ccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)cc1
BDBM50382425 CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
BDBM50381698 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1
BDBM50381990 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(O)=O)c3)sn2)C1
BDBM50381991 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ncco4)c3)sn2)C1
BDBM50381992 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(O)=O)c1
BDBM50381993 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NN4CC=CC=N4)c3)sn2)C1 |c:33,35|
BDBM50381994 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccc(F)cc2)c1
BDBM50381995 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccs4)c3)sn2)C1
BDBM50381996 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2F)c1
BDBM50381997 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
BDBM50381998 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4F)c3)sn2)C1
BDBM50381999 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(N)=O)c1
BDBM50382000 CC(C)CCNC(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
BDBM50382001 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccccc4)c3)sn2)C1
BDBM50382002 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccc4)c3)sn2)C1
BDBM50382003 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(Cc4nc5ccccc5[nH]4)c3)sn2)C1
BDBM50382006 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1
BDBM50382007 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2ccccc2F)c1
BDBM50382008 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2cccc(F)c2)c1
BDBM50382009 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2cccc(F)c2F)c1
BDBM50382010 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)NCc2cc(F)cc(F)c2)c1
BDBM50382011 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccc(c4)C(F)(F)F)c3)sn2)C1
BDBM50382012 COc1cccc(CNC(=O)Cn2cc(cn2)-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)c1
BDBM50382013 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2ccccc2F)c1
BDBM50382014 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2)c1
BDBM50382015 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2ccc(F)cc2)c1
BDBM50382016 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cc(F)cc(F)c2)c1
BDBM50382017 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4nccs4)c3)sn2)C1
BDBM50382018 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccccn4)c3)sn2)C1
BDBM50382019 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NC4C=CN(O)C=C4)c3)sn2)C1 |c:32,36|
BDBM50382020 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccc(F)n4)c3)sn2)C1
BDBM50382021 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccnc4F)c3)sn2)C1
BDBM50382022 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)sn2)C1
BDBM50382023 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)N2CCOCC2)c1
BDBM50382024 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCCN(C)C)c3)sn2)C1
BDBM50382025 CN(C)C(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
BDBM50382026 CNC(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12
BDBM50382027 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccc(cc4)C(F)(F)F)c3)sn2)C1
BDBM50382028 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccc(c4)N(C)C)c3)sn2)C1
BDBM50382029 COc1ccc(CNC(=O)Cn2cc(cn2)-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cc1
BDBM50382030 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccnc4)c3)sn2)C1
BDBM50382031 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccncc4)c3)sn2)C1
BDBM50382032 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccco4)c3)sn2)C1
BDBM50382033 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccnc4)c3)sn2)C1
BDBM50382034 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4O)c3)sn2)C1
BDBM50381716 Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
BDBM50383191 COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC
BDBM50382959 COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
BDBM50365426 COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
BDBM50366114 CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
BDBM50377240 OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
BDBM50377241 OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
BDBM50377243 OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
BDBM50378657 CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
BDBM50378774 O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nn(CC2CCCO2)cc1-c1ccnc2[nH]ccc12
BDBM50377230 OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50377232 O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3|
BDBM50377234 OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23|
BDBM50377235 OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
BDBM50377236 OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
BDBM50377237 OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
BDBM50379488 CNC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379489 Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
BDBM50379490 Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O
BDBM50379491 Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O
BDBM50379492 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r|
BDBM50379493 CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379494 C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379495 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r|
BDBM50379496 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50379497 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r|
BDBM50379498 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCCC1 |r|
BDBM50379499 COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379500 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r|
BDBM50379501 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CO |r|
BDBM50379502 COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379503 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r|
BDBM50379504 CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12
BDBM50379505 Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)C4)c3n2)cc1C(N)=O
BDBM50379506 Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O |THB:19:17:14:12.21.20,16:17:12:14.15.21,(-6.38,-15.11,;-7.29,-13.87,;-6.81,-12.4,;-8.06,-11.49,;-8.06,-9.95,;-6.73,-9.18,;-6.72,-7.63,;-5.39,-6.86,;-4.06,-7.63,;-2.59,-7.14,;-1.67,-8.38,;-2.58,-9.64,;-2.58,-11.18,;-3.92,-11.94,;-3.92,-13.48,;-2.58,-14.26,;-3.29,-13.44,;-2.59,-12.34,;-3.35,-12.69,;-2.07,-12.75,;-1.24,-11.94,;-1.25,-13.49,;-4.05,-9.17,;-5.39,-9.95,;-9.3,-12.39,;-8.83,-13.87,;-9.88,-15,;-11.39,-14.66,;-9.41,-16.47,)|
BDBM50379507 Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
BDBM50379508 Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O
BDBM50380246 CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
BDBM50379186 CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
BDBM50389975 Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16|
BDBM50389320 CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
BDBM50383812 O=C(Nc1ccccc1)c1cn(nc1-c1ccccc1)-c1ccccc1
BDBM50383813 Clc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
BDBM50383814 Brc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
BDBM50383815 COc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
BDBM50383816 CCOc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
BDBM50383817 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
BDBM50383818 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
BDBM50383819 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
BDBM50383820 COc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
BDBM50383821 COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
BDBM50383822 COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
BDBM50383823 COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
BDBM50383824 COc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
BDBM50383825 CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
BDBM50383826 Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
BDBM50383827 Clc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
BDBM50383828 Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
BDBM50383829 COc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
BDBM50383830 CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
BDBM50383831 [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
BDBM50383832 [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
BDBM50383833 [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
BDBM50383834 COc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
BDBM50383835 CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
BDBM50383836 CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
BDBM50384888 Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
BDBM50384165 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C
BDBM50384166 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C
BDBM50384167 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cncn4C)n(C4CCCC4)c3n2)cn1C
BDBM50384168 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4C)n(C4CCCC4)c3n2)cn1C
BDBM50384169 CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
BDBM50384170 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4ccnn4C)n(C4CCCC4)c3n2)cn1C
BDBM50384171 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cn1C
BDBM50384172 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CN=O)n(C4CCCC4)c3n2)cn1C
BDBM50384173 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)cn1C
BDBM50384174 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3ccn(C4CCCC4)c3n2)cn1C
BDBM50384175 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C
BDBM50384176 CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
BDBM50384177 CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
BDBM50384178 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CO)n(C4CCCC4)c3n2)cn1C
BDBM50384179 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(O)=O)n(C4CCCC4)c3n2)cn1C
BDBM50384006 Nc1ncc(cc1-c1nc2ccc(O)cc2o1)-c1cnn(c1)C1CCNCC1
BDBM50389078 COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
BDBM50389079 Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
BDBM50389080 N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
BDBM50389081 N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
BDBM50389082 N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
BDBM50389083 Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
BDBM50389084 COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
BDBM50389085 COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
BDBM50389086 C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
BDBM50389087 N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
BDBM50389248 Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
BDBM50389249 Nc1noc2cccc(C(=O)Nc3cccc(CC(=O)Nc4cccc(F)c4)c3)c12
BDBM50389250 Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(Cl)c4)c3)c12
BDBM50389251 Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)c1
BDBM50389252 Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccn4ncnc(N)c34)cc2)c1
BDBM50389253 Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)c12
BDBM50389254 Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c12
BDBM50389256 Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
BDBM50389257 Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3cccc4onc(N)c34)cc2)cc1
BDBM50389258 Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
BDBM50389259 Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4F)c3)c12
BDBM50389260 Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
BDBM50389261 Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccn4ncnc(N)c34)c2)cc1
BDBM50389262 Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)c12
BDBM50389263 Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)NC4CCCC4)cc3)c12
BDBM50389264 Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
BDBM50389265 Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccsc4)cc3)c12
BDBM50389266 Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c12
BDBM50389267 Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c12
BDBM50389268 Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
BDBM50389269 Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Cc4cccc(F)c4)c3)c12
BDBM50389270 Nc1noc2cccc(C(=O)Nc3cccc(CNS(=O)(=O)c4ccccc4)c3)c12
BDBM50389214 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2cccnc2)cc1
BDBM50389215 O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)OCc1cccnc1
BDBM50389216 O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1)OCc1cccnc1
BDBM50389217 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2cc(C)on2)cc1
BDBM50389218 Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)no1
BDBM50389219 Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
BDBM50389220 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNS(=O)(=O)c2ccccc2)cc1
BDBM50389221 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)nc(C)n1
BDBM50389222 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3cccnc3)cc2)nc(C)n1
BDBM50389223 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3cc(C)on3)cc2)nc(C)n1
BDBM50389224 Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)cc(n1)N1CCN(CCO)CC1
BDBM50389225 Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3cccnc3)cc2)cc(n1)N1CCN(CCO)CC1
BDBM50389226 Cc1cc(COC(=O)NCc2ccc(cc2)-c2cc(Nc3cc(nc(C)n3)N3CCN(CCO)CC3)[nH]n2)no1
BDBM50389227 Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)cc(n1)N1CCNCC1
BDBM50389228 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50389229 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Oc2ccccc2)cc1
BDBM50389230 O=C(Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)Oc1ccccc1
BDBM50389231 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)Oc2ccccc2)cc1
BDBM50389232 CCOC(=O)NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
BDBM50389233 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2ccccc2)cc1
BDBM50389234 O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1
BDBM50389235 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)CC1
BDBM50389236 O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1)OCc1ccccc1
BDBM50389237 O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1
BDBM50389238 Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c12
BDBM50389239 Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
BDBM50389240 Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4)c3)c12
BDBM50389241 Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
BDBM50389242 Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)cc4)c3)c12
BDBM50389243 Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
BDBM50389244 Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
BDBM50389245 Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1
BDBM50389246 Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc4onc(N)c34)c2)cc1
BDBM50389247 NCc1cccc(NC(=O)c2cccc3onc(N)c23)c1
BDBM50393756 Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
BDBM50394782 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(O)CC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394783 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCOCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394784 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCCCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394785 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(F)(F)C4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394786 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394787 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C4)C(=O)N4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394788 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)S(=O)(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394789 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)S(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394790 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)SC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394791 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(C4)C(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1
BDBM50394792 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)NS(C)(=O)=O)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394793 CC(C)C(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r|
BDBM50394794 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394795 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394796 CN1CCN(CCO[C@@H]2CCN(CC(=O)Nc3ccc(Sc4nc(Nc5cc(C)[nH]n5)c5cccn5n4)cc3)C2)CC1 |r|
BDBM50394797 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394798 COCCO[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r|
BDBM50394799 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCO)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394800 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](O)C4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394801 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](O)C4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394210 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9|
BDBM50394776 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NCC(F)(F)F)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394777 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394778 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394779 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394780 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)Nc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50394781 Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r|
BDBM50386749 Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1
BDBM50386816 Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
BDBM50385914 C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
BDBM50385915 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
BDBM50385916 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r|
BDBM50385919 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50401418 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2csnn2)no1
BDBM50401419 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2nccn2C)no1
BDBM50401420 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cc(C)on2)no1
BDBM50401421 Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
BDBM50401422 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccnn2C)no1
BDBM50401423 CN(C)CCOc1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401424 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccn(C)n2)no1
BDBM50401425 Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ncn(C)n4)CC3)c2[nH]1
BDBM50401426 CN1CCN(CC1)c1ccc(-c2nc3ncc(Cl)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)c(F)c1
BDBM50401427 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccoc2)no1
BDBM50401428 CN(C)Cc1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401429 Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C)no1
BDBM50401430 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cccc(CN3CCOCC3)c2)no1
BDBM50401431 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cnn(CC(F)F)c2)no1
BDBM50401432 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cnn(C)c2)no1
BDBM50401433 CCn1cc(cn1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401434 Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ncon4)CC3)c2[nH]1
BDBM50401435 CC(C)n1cc(cn1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401436 C[C@H]1CN(CCN1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 |r|
BDBM50401437 Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4cnccn4)CC3)c2[nH]1
BDBM50401438 CN1CCN(CC1)c1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401439 Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1
BDBM50401440 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2cncn2C)no1
BDBM50401441 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C)no1
BDBM50401442 COCCN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401443 CN1CCN(CC1)c1ccc(cc1F)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401444 CC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401445 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCOCC2)no1
BDBM50401446 Cc1nonc1CN1CCN(CC1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C
BDBM50401447 CCN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
BDBM50401448 Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C2CC2)no1
BDBM50401449 Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2nc(C)oc2C)no1
BDBM50413752 COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
BDBM50426736 FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
BDBM50426474 COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13|
BDBM50426731 C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
BDBM50426732 C1CCC(CC1)c1ncc2cnc3[nH]ccc3n12
BDBM50426733 C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
BDBM50426734 C1CCC(CC1)c1cnc2cnc3[nH]ccc3n12
BDBM50426735 C1CCC(CC1)c1nnc2cnc3[nH]ccc3n12
BDBM50426737 C1CCC(CC1)c1noc2cnc3[nH]ccc3c12
BDBM50426738 Cn1nc(C2CCCCC2)c2c3cc[nH]c3ncc12
BDBM50426739 C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12
BDBM50426740 C1CCC(CC1)N1CCCc2cnc3[nH]ccc3c12
BDBM50418165 CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
BDBM50418230 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCC1 |r|
BDBM50418231 CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418232 Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1
BDBM50418233 Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1
BDBM50418235 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCC1
BDBM50418236 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCCC1
BDBM50418237 C[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1 |r|
BDBM50418238 C[C@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418239 CC[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418240 CC(C)[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418241 Nc1[nH]nc2cc(ccc12)-c1cc(nc(N)n1)N1CCO[C@@H](C1)C(=O)Nc1ccccc1 |r|
BDBM50418242 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCO[C@H](C1)C(=O)Nc1ccccc1 |r|
BDBM50418243 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)Nc1ccccc1 |r|
BDBM50418244 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@H](C1)C(=O)Nc1ccccc1 |r|
BDBM50418245 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r|
BDBM50418246 C[C@@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
BDBM50418247 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCC(C1)NC(=O)c1ccccc1
BDBM50418248 CC(C)(C)OC(=O)NC1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418249 CC(C)(C)OC(=O)N[C@H]1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418250 CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418251 C[C@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
BDBM50418253 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)-c1ccccc1
BDBM50418256 Nc1[nH]nc2cc(ccc12)-c1cc(nc(N)n1)N1CCOCC1
BDBM50418257 C[C@@H]1CCCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418258 C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)NC(=O)OC(C)(C)C |r|
BDBM50425861 COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
BDBM50425862 CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
BDBM50425863 CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
BDBM50425864 CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
BDBM50425865 CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
BDBM50425829 Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1
BDBM50425830 Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
BDBM50420401 CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
BDBM50418234 CN(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418252 CC(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418254 COc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418255 CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418259 Cc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418260 CCNc1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1
BDBM50432398 Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1
BDBM50433650 Nc1ccnc2[nH]c(=O)c3ccccc3c12
BDBM50433651 Clc1ccnc2[nH]c(=O)c3ccccc3c12
BDBM50433652 Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433653 Fc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433654 Fc1cc(ccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)C(F)(F)F
BDBM50433629 O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
BDBM50433630 Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
BDBM50433631 COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433632 Fc1cc(F)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433633 Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433634 Fc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433635 Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(F)c1
BDBM50433636 Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c1F
BDBM50433637 FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433638 Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433639 Cc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433640 Fc1cccc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433641 FC(F)(F)c1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433642 Fc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433643 COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433644 O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
BDBM50433645 O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)nc1)c1ccccc1
BDBM50433646 O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
BDBM50433647 CNc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433648 Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
BDBM50433649 O=c1[nH]c2nccc(Nc3ccccc3)c2c2ccccc12
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM50429477 FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
BDBM50428737 Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
BDBM50428738 Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
BDBM50428740 Oc1ccc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
BDBM50441567 CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
BDBM50435018 Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
BDBM50435019 COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
BDBM50435020 COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
BDBM50435021 [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
BDBM50435022 N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
BDBM50435023 [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
BDBM50435024 CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1
BDBM50435025 CC(=O)Nc1cc(ccn1)-c1nnc(SCc2cccc(c2)C#N)o1
BDBM50435026 CC(=O)Nc1cc(ccn1)-c1nnc(SCc2ccccc2)o1
BDBM50435027 C(Sc1nnc(o1)-c1ccncc1)c1ccc(cc1)-c1ccccc1
BDBM50435028 Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccncc3)cc2)c(c1)C#N
BDBM50435029 COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
BDBM50435030 N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
BDBM50435031 N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
BDBM50435032 [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
BDBM50435033 [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
BDBM50435034 N#Cc1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
BDBM50435035 [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
BDBM50435036 C(Sc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(cc1)-c1ccccc1
BDBM50435037 N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
BDBM50435038 Fc1cc(F)cc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
BDBM50435039 COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
BDBM50435040 COc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
BDBM50435692 CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O
BDBM50435693 Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O
BDBM50435694 CS(=O)(=O)c1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
BDBM50435695 CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM50435696 CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(SC)n1
BDBM50435698 CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(C)cc3[nH]2)n1
BDBM50435699 Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(C)n1
BDBM50435700 Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM50434604 CCNC(=O)Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
BDBM50434605 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ccccc2)cc1
BDBM50434607 Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1
BDBM50434608 Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)cc(n1)N1CCNCC1
BDBM50434609 Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)cc(n1)N1CCN(CCO)CC1
BDBM50434610 Cc1cc(NC(=O)NCc2ccc(cc2)-c2cc(Nc3cc(nc(C)n3)N3CCN(CCO)CC3)[nH]n2)no1
BDBM50434611 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)nc(C)n1
BDBM50434612 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(C)on3)cc2)nc(C)n1
BDBM50434613 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
BDBM50434614 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
BDBM50435701 Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM50435702 CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
BDBM50435703 Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
BDBM50435704 Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM50434615 CC(C)(C)c1cc(NC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
BDBM50434616 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)Nc2cc(C)on2)cc1
BDBM50434617 Clc1ccc(NC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1
BDBM50434618 Fc1ccc(NC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1
BDBM50434619 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3ccccc3)cc2)CC1
BDBM50434620 O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1)Nc1ccccc1
BDBM50434621 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)CC1
BDBM50434622 Cc1cc(ccc1NC(=O)Nc1cc(on1)C(C)(C)C)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1
BDBM50434623 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
BDBM50434624 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
BDBM50434625 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)no1
BDBM50434626 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)c(Cl)c1
BDBM50434627 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)c(C)c1
BDBM50434628 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50434629 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)cc1
BDBM50434630 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ncc(C)s2)cc1
BDBM50434631 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cccnc2)cc1
BDBM50434632 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ccccn2)cc1
BDBM50434633 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)N2CCCC2)cc1
BDBM50434634 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)NC2CC2)cc1
BDBM50442757 CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
BDBM50442758 CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
BDBM50442759 CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
BDBM50442760 CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
BDBM50443492 CC(=O)NC[C@@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r|
BDBM50443493 CC(=O)N[C@@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r|
BDBM50443494 CC(=O)N[C@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r|
BDBM50443495 COc1ccc(cc1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNC(C)=O)c1
BDBM50443496 CC(=O)NCc1cccc(c1)-c1c([nH]c2ncc(Cl)cc12)-c1cnn(C)c1
BDBM50443497 COc1ccc(cc1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNS(C)(=O)=O)c1
BDBM50443498 Cn1cc(cn1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNS(C)(=O)=O)c1
BDBM50443499 Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NC3CCC3)c2[nH]1
BDBM50443500 Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
BDBM50443501 Cc1cc(NC(=O)c2ccc(Oc3c(Cl)cnc4nc([nH]c34)-c3cn(C)nc3C)cc2)on1
BDBM50443502 Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3cccnc3)c2[nH]1
BDBM50443503 Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccncc3)c2[nH]1
BDBM50443504 Cc1nn(C)cc1-c1nc2ncc(Cl)c(Nc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
BDBM50443505 Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)N3CCCC3)c2[nH]1
BDBM50443506 Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NCc3ccccc3)c2[nH]1
BDBM50443507 CN(Cc1ccccc1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C
BDBM50443508 CN(C[C@H]1CCCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C)S(C)(=O)=O |r|
BDBM50443509 Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@@H](CNS(C)(=O)=O)C3)c2[nH]1 |r|
BDBM50443510 Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@H](CNS(C)(=O)=O)C3)c2[nH]1 |r|
BDBM50443511 Clc1cnc2nc[nH]c2c1Oc1ccc(cc1)C(=O)Nc1ccccc1
BDBM50443512 Cc1nn(C)cc1-c1nc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
BDBM50439463 C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
BDBM50439464 C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
BDBM50446982 C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
BDBM50437841 COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
BDBM50437505 Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
BDBM50437506 Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)c2)n(C)n1
BDBM50437507 Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1
BDBM50437508 Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)n(C)n1
BDBM50437509 Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1
BDBM50436690 CN(C)CCCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
BDBM50436691 CN(C)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
BDBM50436692 O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCOCC3)cc2)cc1
BDBM50436693 CN1CCN(CCOc2ccc(cc2)-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)CC1
BDBM50436694 O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCCCC3)cc2)cc1
BDBM50436695 OC1CCN(CCOc2ccc(cc2)-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)CC1
BDBM50436696 CCN(CC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
BDBM50436697 O=C(Nc1ccccc1)Nc1ccc(CCCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50436698 O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)c1
BDBM50436699 NC(=O)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50436700 O=C(Nc1ccccc1)Nc1ccc(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50436701 COc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1
BDBM50436702 O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3occ(-c4ccccc4)c23)cc1
BDBM50436703 CNC(=O)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50436704 O=C(Nc1ccccc1)Nc1ccc(Nc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50436705 O=C(NCc1ccccc1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50436706 O=C(NC1CCCCC1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
BDBM50436707 O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccccc2)cc1
BDBM50436708 CCCCN(CCCC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
BDBM50436709 Fc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1
BDBM50436710 O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCCC3)cc2)cc1
BDBM50436711 CCN(CCO)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
BDBM50436712 CN(C)CCOc1cccc(c1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
BDBM50449313 COc1cc(OC)c(\C=C\C(=O)c2c(O)cccc2OC)c(OC)c1
BDBM50446428 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCS(=O)(=O)CC3)cc2n1C(=O)OC(C)(C)C
BDBM50446447 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnccn3)cc2n1C(=O)OC(C)(C)C
BDBM50446448 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnco3)cc2n1C(=O)OC(C)(C)C
BDBM50446449 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncnc3)cc2n1C(=O)OC(C)(C)C
BDBM50446450 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2n1C(=O)OC(C)(C)C
BDBM50446451 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C
BDBM50446452 COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1C
BDBM50446453 CN(C)S(=O)(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446454 COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(c1)C(F)F
BDBM50446455 COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(CC(F)(F)F)c1
BDBM50446456 COc1ccc(cc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1)C(F)(F)F
BDBM50446457 Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1
BDBM50446458 COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1
BDBM50446459 COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnco1
BDBM50446460 COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
BDBM50446461 COc1cc(ccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1)C(=O)N(C)C
BDBM50446429 COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cncn1C
BDBM50446430 CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446431 CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446432 CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446433 COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
BDBM50446434 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2[nH]1
BDBM50446435 CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnco2)c(Cl)c1
BDBM50446436 C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
BDBM50446437 CN(C)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446438 Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2n1C(=O)OC(C)(C)C
BDBM50446439 COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1OC
BDBM50446440 Cn1ccc(n1)-c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446441 C(c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1)n1cccn1
BDBM50446442 CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
BDBM50446443 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC3)cc2n1C(=O)OC(C)(C)C
BDBM50446444 COC1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446445 COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1
BDBM50446446 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cccnc3)cc2n1C(=O)OC(C)(C)C
BDBM50446462 COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)c(Cl)c1
BDBM50446463 COC1CCN(CC1)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446464 Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCS(=O)(=O)CC3)cc2[nH]1
BDBM50446465 CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
BDBM50446466 COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn(C)nc2C(F)(F)F)c(OC)c1
BDBM50446467 Clc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
BDBM50446468 CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
BDBM50446469 COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
BDBM50444593 CC(C)n1cc(C2=C(C(=O)NC2=O)c2nn(CCCN3CCOCC3)c3ncccc23)c2ccccc12 |t:6|
BDBM50444594 Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCN3CCOCC3)c3ncccc23)c2ccccc12 |t:4|
BDBM50444595 Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCn3ccnc3)c3ncccc23)c2ccccc12 |t:4|
BDBM50439465 OC(=O)C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
BDBM50015314 COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
BDBM50015266 CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r|
BDBM50015269 O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2ccccc12
BDBM50015271 O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1cn[nH]c1
BDBM50021618 CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
BDBM50021626 CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
BDBM50021658 COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
BDBM50022893 O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2CCC(Cc12)c1cn[nH]c1
BDBM50022927 CN(C)C[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
BDBM50022929 CN(C)CC[C@@H](c1cccc(Cl)c1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
BDBM50022930 CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](CCS(C)(=O)=O)c1ccccc1 |r|
BDBM50022931 CC12CC1Cc1c(C2)[nH]nc1C(=O)Nc1cnn(Cc2ccccc2)c1
BDBM50022932 CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
BDBM50022933 CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
BDBM50022934 CN(C)CC[C@@H](c1cccc(C)c1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
BDBM50022935 CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|
BDBM50022936 CC1CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
BDBM50022937 CC1(CO)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
BDBM50022939 O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2CCCCc12
BDBM50022940 CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCNCC1)c1ccccc1 |r|
BDBM50022941 O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3CC3Cc12
BDBM50022976 O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(CC3)CCc12
BDBM50022983 FC1(F)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1
BDBM50022997 CC1(C)CCc2[nH]nc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1
BDBM50023029 O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(COC3)CCc12
BDBM50023033 O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2CC3(CCOC3)CCc12
BDBM50024294 Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
BDBM167512 CCc1[nH]cc2C(C3=C(CNCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
BDBM50029367 CN1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
BDBM50029422 CC1CCCCN1CCCOc1ccc2c(Nc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1
BDBM50029423 CC1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
BDBM50029425 O=C(NCc1ccccc1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1 |c:19,34,t:17,22|
BDBM50029439 OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1 |c:13,39,t:10,15|
BDBM50029446 CN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14|
BDBM50029447 O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1 |c:18,34,t:16,21|
BDBM50029454 O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1 |c:18,33,t:16,21|
BDBM50029449 CC1CCCCN1CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:15,40,t:12,17|
BDBM50053235 COc1ccc2[nH]c(nc2c1)-c1c(N[C@H]2CCCNC2)c2cc(Cl)sc2[nH]c1=O |r|
BDBM50029455 CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:12,37,t:9,14|
BDBM50029456 CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:13,38,t:10,15|
BDBM50029457 OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:14,39,t:11,16|
BDBM50029458 OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:13,38,t:10,15|
BDBM50029459 COC1=CC2C(C=C1OCCCN1CCOCC1)N=CN=C2Nc1ccc(NC(=O)c2ccccc2)cc1 |c:6,20,22,t:2|
BDBM50053239 Clc1cc2c(NC3CN4CCC3CC4)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1 |(4.23,-18.7,;5.76,-18.7,;6.67,-17.45,;8.14,-17.93,;9.47,-17.17,;9.47,-15.63,;8.14,-14.86,;8.14,-13.33,;6.81,-12.56,;5.47,-13.32,;5.47,-14.86,;6.8,-15.64,;7.59,-13.93,;6,-13.93,;10.8,-17.93,;12.12,-17.17,;12.29,-15.63,;13.8,-15.32,;14.56,-13.99,;16.1,-13.99,;16.86,-15.32,;16.1,-16.65,;14.56,-16.65,;13.53,-17.79,;10.8,-19.47,;12.12,-20.24,;9.47,-20.24,;8.14,-19.47,;6.67,-19.95,)|
BDBM47224 CCc1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
BDBM50024791 Oc1[nH]c2c(F)cccc2c1C1=Nc2ccccc2C1=O |t:13|
BDBM50024792 CC(=O)O\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:6|
BDBM50053262 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cc(OC)cc(OC)c2)c1
BDBM50053269 COc1cc(OC)c(cc1Cl)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50066147 CN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
BDBM50053300 Cc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50053303 COC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50081556 CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CCCC1)c1ccsc1
BDBM50081558 CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CCCC1)c1ccccn1
BDBM50029356 O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1
BDBM50029437 OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1 |c:14,40,t:11,16|
BDBM50029432 CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1 |c:13,39,t:10,15|
BDBM50038423 Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O
BDBM50053243 Clc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
BDBM50048357 Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048362 Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048364 OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
BDBM50048365 Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048374 CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM60452 CCc1[nH]cc2[C@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
BDBM50086441 CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50053231 O=c1[nH]c2ccsc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
BDBM50053234 COc1ccc2[nH]c(nc2c1)-c1c(NC2CN3CCC2CC3)c2cc(Cl)sc2[nH]c1=O |(4.33,-25.42,;5.88,-25.42,;6.65,-24.08,;5.88,-22.74,;6.65,-21.41,;8.18,-21.41,;9.22,-20.26,;10.63,-20.89,;10.47,-22.43,;8.96,-22.74,;8.18,-24.08,;11.97,-20.12,;13.3,-20.89,;13.3,-22.44,;14.63,-23.2,;14.63,-24.74,;15.96,-25.51,;17.29,-24.74,;17.29,-23.2,;15.96,-22.43,;15.15,-23.8,;16.74,-23.8,;14.63,-20.12,;16.1,-20.6,;17.01,-19.35,;18.55,-19.35,;16.1,-18.11,;14.63,-18.58,;13.3,-17.81,;11.97,-18.58,;10.63,-17.81,)|
BDBM50051941 COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
BDBM50051942 Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
BDBM50053238 Brc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
BDBM50029416 O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1
BDBM50029429 CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1 |c:12,38,t:9,14|
BDBM50029444 O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1 |c:18,34,t:16,21|
BDBM50029453 CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14|
BDBM50053256 O=c1[nH]c2sccc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |(23.44,-23.73,;22.09,-23,;20.77,-23.8,;19.42,-23.07,;17.97,-23.59,;17.03,-22.37,;17.9,-21.1,;19.38,-21.53,;20.69,-20.72,;20.64,-19.19,;19.29,-18.45,;19.25,-16.91,;17.89,-16.18,;16.58,-16.99,;16.62,-18.53,;17.98,-19.26,;19.02,-17.66,;17.48,-17.66,;22.04,-21.46,;23.35,-20.65,;23.47,-19.11,;24.97,-18.75,;25.7,-17.4,;27.24,-17.35,;28.05,-18.66,;27.32,-20.02,;25.78,-20.06,;24.78,-21.24,)|
BDBM50053259 O=c1[nH]c2sccc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 |r|
BDBM50053261 COc1cc(OC)cc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
BDBM50053260 O=c1[nH]c2sccc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
BDBM50053264 Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1ccc(cc1)C#N
BDBM50053263 Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50053270 Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1cccc(Cl)c1
BDBM50053299 COC(=O)c1ccc(cc1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50053301 Oc1ccc(cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1cc(nn1)-c1ccsc1
BDBM50053304 NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
BDBM50053302 CC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50053305 CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
BDBM50059430 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:29|
BDBM50059431 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:29|
BDBM50059432 Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12 |r,t:29|
BDBM50059435 CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10|
BDBM50059436 CCOC(=O)c1[nH]cc2C(c3cc(Sc4nc5ccccc5[nH]4)cs3)C3=C(CCCC3=O)Nc12 |t:28|
BDBM50059438 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)s3)C3=C(CCCC3=O)Nc12 |t:28|
BDBM50059439 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(Cc4ccccc4)CC3=O)Nc12 |t:28|
BDBM50059441 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CC(C)(C)CC3=O)Nc12 |t:28|
BDBM50059442 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
BDBM50059443 O.Cl.CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:28|
BDBM50059444 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
BDBM50059445 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
BDBM50059446 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
BDBM50059447 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
BDBM50059449 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)c(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:31|
BDBM50059450 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
BDBM50059452 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
BDBM50059453 Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2 |c:16|
BDBM50059454 COC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:27|
BDBM50059455 O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]cc1N2 |c:5|
BDBM50059456 COC(=O)c1csc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:27|
BDBM50059457 Nc1nc(O)c2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc2n1 |t:25|
BDBM50059458 NC(=O)c1[nH]nc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:26|
BDBM50059459 CCOC(=O)c1[nH]nc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
BDBM50059460 O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1n[nH]cc1N2 |c:5|
BDBM50059461 O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1cn[nH]c1N2 |c:5|
BDBM50059462 O=C1CNCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]nc1N2 |c:5|
BDBM50059464 COc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1 |c:22|
BDBM50059465 Clc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1 |c:21|
BDBM50059489 Clc1cc(Cl)cc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)c1 |c:23|
BDBM50059588 CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:10|
BDBM50059589 CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1ccnc(Sc2nc3ccccc3[nH]2)c1 |t:10|
BDBM50059590 CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)n1 |t:10|
BDBM158154 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
BDBM158155 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
BDBM158156 COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
BDBM158157 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCCCC2)c1
BDBM50059592 CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:10|
BDBM50059593 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC)CC3=O)Nc12 |t:28|
BDBM50059594 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccnc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
BDBM50079534 CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(Br)c(NC3CCCC3)n2)cc1
BDBM50079535 COc1cc(ccc1Nc1ncc(F)c(NC2CCCC2)n1)C(=O)NC1CCN(C)CC1
BDBM50059596 OC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:26|
BDBM50066146 CN(C(=O)c1ccccc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
BDBM50066148 CN(C(=O)Nc1ccccc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12
BDBM50081537 [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
BDBM50081554 O=C(NCC1(CCCCC1)N1CCOCC1)c1ccc2[nH]nc(-c3ccc(cc3)N3CCOCC3)c2c1
BDBM50081555 CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)C(C3CCCC3)c3ccsc3)cc12
BDBM50081557 CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)C(C3CCCC3)c3ccccn3)cc12
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50059433 Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12 |r,t:28|
BDBM50059437 CCOC(=O)c1[nH]cc2C(c3cnc(Sc4nc5ccccc5[nH]4)s3)C3=C(CCCC3=O)Nc12 |t:28|
BDBM50059440 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)OC(C)(C)C)Nc12 |t:28|
BDBM50059448 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccc(F)c(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
BDBM50059451 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(O)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
BDBM50059463 Clc1ccc(Oc2cccc(c2)C2c3c[nH]nc3NC3=C2C(=O)CNC3)cc1Cl |c:21|
BDBM50059466 O=C1CNCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2ccccc2)c1 |c:5|
BDBM50059595 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(Cl)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
BDBM167506 CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
BDBM167507 CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
BDBM167508 O=C1CCCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:5|
BDBM167509 O=C1CNCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:5|
BDBM167510 CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |t:7|
BDBM167511 CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1 |t:7|
BDBM167513 CC1(C)CC(=O)C2=C(C1)Nc1n[nH]cc1C2c1cccc(Oc2nc3ccccc3[nH]2)c1 |c:6|
BDBM167515 CCOC(=O)c1[nH]cc2[C@@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |r,t:28|
BDBM167516 CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(OC)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
BDBM50073587 COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
BDBM180860 CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1c(F)ccc2[nH]ccc12
BDBM180861 Cc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
BDBM180862 CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(F)c2[nH]ccc12
BDBM180863 CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(Cl)c2[nH]ccc12
BDBM180864 COc1ccc(-c2nc(C(N)=O)c(o2)-c2ccc(cc2)N2CCNC(C)(C)C2)c2cc[nH]c12
BDBM180865 Cc1cc(C)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
BDBM180866 Cc1cc(F)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
BDBM180867 Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(o3)-c3ccc(cc3)N3CCNC(C)(C)C3)c12
BDBM50081553 O=C(CC1(CCCCC1)N1CCOCC1)Nc1ccc2[nH]nc(-c3ccc(cc3)N3CCOCC3)c2c1
BDBM180869 CCc1ccc(-c2nc(C(N)=O)c(o2)-c2ccc(cc2)N2CCNC(C)(C)C2)c2cc[nH]c12
BDBM180870 CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1cccc2[nH]ccc12
BDBM180871 CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(c2[nH]ccc12)C(F)(F)F
BDBM50095992 Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(n1)N1CCC(N)CC1
BDBM50096115 Cc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)s2)no1
BDBM50096116 CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1
BDBM50096118 CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1
BDBM50096119 CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(on3)C3CC3)cc2)nc(C)n1
BDBM50096120 CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1
BDBM50096122 CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
BDBM50096123 CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(C)on3)cc2)nc(C)n1
BDBM50096124 Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1
BDBM50096125 CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1
BDBM50123568 [H][C@@]1(CNC(=O)O1)[C@@H](C)Oc1nc(cc2ncsc12)-c1cnn(c1)C(F)F |r|
BDBM50123583 [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1cc(cc2nscc12)-c1cnn(C)c1 |r|
BDBM50106623 CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCNC(=O)[C@@]3(Cc4cccc(Nc5nccs5)n4)CC[C@@H](CC3)Oc3cccc(Cl)c3F)C(N)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:56.58,39.41,wD:72.80,28.29,24.24,(-6.4,.92,;-5.34,1.54,;-5.34,2.77,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.84,;1.35,-5.38,;.03,-6.16,;-1.31,-5.4,;-1.32,-3.86,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;.04,-7.7,;-1.02,-8.33,;1.38,-8.46,;1.39,-10,;2.74,-10.76,;2.75,-12.3,;4.09,-13.06,;4.1,-14.6,;5.44,-15.36,;5.46,-16.9,;4.4,-17.53,;6.8,-17.66,;8.12,-16.88,;8.11,-15.34,;9.43,-14.55,;9.41,-13.01,;8.07,-12.26,;6.75,-13.04,;6.77,-14.58,;6.81,-19.2,;8.15,-19.96,;9.21,-19.34,;8.17,-21.5,;6.84,-22.28,;5.5,-21.52,;4.17,-22.3,;2.83,-21.53,;2.82,-19.99,;4.15,-19.22,;5.49,-19.98,;9.51,-22.26,;9.52,-23.8,;8.46,-24.43,;10.86,-24.56,;10.88,-26.1,;12.22,-26.86,;12.23,-28.4,;13.57,-29.16,;14.63,-28.54,;13.58,-30.7,;14.93,-31.46,;16.25,-30.68,;16.24,-29.14,;17.56,-28.36,;18.91,-29.11,;18.92,-30.65,;20.27,-31.41,;21.59,-30.62,;21.71,-29.1,;23.21,-28.76,;24,-30.08,;22.99,-31.24,;17.6,-31.44,;13.64,-32.22,;12.31,-33,;10.97,-32.24,;10.95,-30.7,;12.28,-29.92,;9.64,-33.03,;9.66,-34.57,;11,-35.32,;11.02,-36.86,;9.7,-37.65,;8.35,-36.9,;7.29,-37.52,;8.33,-35.36,;7.26,-34.75,;2.77,-15.38,;2.78,-16.61,;1.7,-14.77,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;5.33,1.54,;6.4,.93,;5.33,2.78,)|
BDBM50106628 CCN1\C(=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCCNC(=O)[C@@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:150.155,40.42,106.108,62.64,36.37,84.86,wD:125.129,95.97,73.75,51.53,166.177,c:7,(-13.89,58.17,;-14.9,58.86,;-14.79,60.39,;-13.5,61.2,;-12.08,60.61,;-10.85,61.55,;-9.43,60.96,;-8.21,61.9,;-8.25,63.44,;-9.51,64.32,;-10.63,63.79,;-6.8,63.95,;-6.21,65.37,;-4.66,65.56,;-3.74,64.33,;-4.34,62.89,;-5.88,62.72,;-6.76,61.47,;-5.55,61.26,;-7.58,60.55,;-2.21,64.53,;-.99,64.69,;-1.74,65.66,;-1.47,63.55,;-13.83,62.67,;-14.25,63.82,;-12.34,62.35,;-11.29,63.47,;-11.74,64.95,;-10.69,66.07,;-9.49,65.8,;-11.14,67.55,;-10.09,68.67,;-10.54,70.15,;-9.49,71.27,;-9.94,72.75,;-8.89,73.87,;-9.34,75.35,;-8.29,76.47,;-7.09,76.19,;-8.74,77.94,;-10.24,78.29,;-10.69,79.77,;-12.19,80.12,;-12.64,81.59,;-14.14,81.94,;-14.98,81.04,;-14.44,82.92,;-7.69,79.07,;-8.14,80.54,;-9.34,80.82,;-7.09,81.67,;-5.59,81.33,;-4.54,82.46,;-3.04,82.11,;-1.99,83.24,;-.49,82.9,;-.13,81.72,;.35,83.8,;-7.54,83.14,;-6.49,84.27,;-5.29,83.99,;-6.94,85.74,;-8.44,86.09,;-9.49,84.96,;-10.99,85.3,;-12.04,84.17,;-13.54,84.52,;-13.9,85.69,;-14.24,83.77,;-5.89,86.87,;-6.34,88.34,;-7.54,88.62,;-5.29,89.47,;-3.79,89.13,;-2.74,90.25,;-1.24,89.91,;-.19,91.04,;1.31,90.7,;1.67,89.52,;2.15,91.6,;-5.74,90.94,;-4.69,92.07,;-3.49,91.79,;-5.14,93.54,;-6.64,93.89,;-7.09,95.37,;-8.59,95.72,;-9.04,97.19,;-10.54,97.54,;-11.38,96.64,;-10.89,98.72,;-4.09,94.67,;-4.54,96.14,;-5.74,96.42,;-3.49,97.27,;-1.99,96.93,;-.94,98.05,;.56,97.71,;1.61,98.84,;3.11,98.49,;3.47,97.32,;3.95,99.4,;-3.94,98.74,;-2.89,99.87,;-1.69,99.59,;-3.34,101.34,;-4.84,101.69,;-5.29,103.16,;-4.24,104.29,;-4.69,105.76,;-6.19,106.11,;-7.24,104.98,;-6.79,103.51,;-6.64,107.58,;-5.81,108.48,;-8.15,107.92,;-8.6,109.39,;-10.1,109.73,;-11.15,108.6,;-10.69,107.13,;-9.19,106.79,;-2.29,102.47,;-2.74,103.94,;-3.74,104.17,;-1.69,105.07,;-.19,104.72,;.86,105.85,;.41,107.32,;1.46,108.45,;2.96,108.1,;3.41,106.63,;2.36,105.51,;4.01,109.23,;3.66,110.4,;5.51,108.88,;5.96,107.4,;7.46,107.05,;8.51,108.17,;8.07,109.65,;6.57,110,;-2.14,106.54,;-1.09,107.67,;-.09,107.44,;-1.54,109.14,;-.49,110.27,;-.94,111.74,;.11,112.87,;-.34,114.34,;-1.54,114.62,;.71,115.47,;.26,116.94,;-1.24,117.29,;-2.29,116.16,;-3.79,116.5,;-4.24,117.98,;-3.19,119.1,;-3.64,120.58,;-5.14,120.92,;-5.72,122.34,;-7.26,122.2,;-7.6,120.7,;-6.28,119.91,;-1.69,118.76,;1.72,116.6,;3.22,116.26,;3.67,114.78,;2.62,113.66,;1.12,114,;5.17,114.44,;6.22,115.56,;5.77,117.03,;6.82,118.16,;8.32,117.81,;8.77,116.34,;9.97,116.06,;7.72,115.21,;8.08,114.03,;-7.39,73.53,;-7.03,72.35,;-6.55,74.43,;-15.36,62.8,;-16.28,64.04,;-17.82,63.84,;-18.42,62.43,;-17.49,61.18,;-15.96,61.39,;-18.76,65.06,;-19.98,64.9,;-19.51,66.04,;-18.29,66.2,)|
BDBM50123803 CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50096232 Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CCCO3)n2)ccc2[nH]cnc12
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50097128 CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
BDBM50123581 [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1nc(cc2nscc12)-c1cnn(C)c1 |r|
BDBM50095991 CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
BDBM50096117 CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)OCc3ccccc3)cc2)nc(C)n1
BDBM225230 CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
BDBM209949 OC(=O)c1cccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)c1
BDBM50096114 CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
BDBM50096121 CCCCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
BDBM50097413 COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(cc3)C(O)=O)nc2-c2ccc(Cl)cc12 |t:10|
BDBM50097414 OC(=O)c1ccc(Nc2ncc3CN=C(c4ccccc4F)c4cc(Cl)ccc4-c3n2)cc1 |t:13|
BDBM50097418 Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6|
BDBM50106626 CCN1\C(=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)CCNC(=O)[C@@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:51.53,106.108,95.97,139.142,36.37,73.75,wD:40.42,62.64,84.86,120.123,155.164,c:7,(5.48,2.13,;6.59,2.66,;7.86,1.8,;7.89,.3,;6.65,-.62,;6.82,-2.15,;5.58,-3.06,;5.75,-4.59,;7.09,-5.36,;8.49,-4.73,;8.62,-3.5,;6.77,-6.86,;7.69,-8.1,;7.05,-9.52,;5.52,-9.67,;4.6,-8.41,;5.25,-7.01,;4.63,-5.61,;4.27,-4.43,;3.82,-6.53,;4.9,-11.08,;4.4,-12.21,;3.67,-11.22,;5.63,-12.07,;9.35,-.17,;10.56,-.4,;8.32,-1.3,;8.76,-2.78,;10.26,-3.13,;10.7,-4.61,;9.85,-5.5,;12.2,-4.96,;12.64,-6.44,;14.13,-6.8,;14.58,-8.27,;16.07,-8.63,;16.52,-10.1,;18.01,-10.46,;18.46,-11.93,;17.61,-12.83,;19.95,-12.29,;21.01,-11.17,;22.51,-11.53,;23.57,-10.41,;25.07,-10.77,;26.13,-9.65,;25.78,-8.47,;27.33,-9.94,;20.4,-13.77,;21.89,-14.12,;22.74,-13.23,;22.34,-15.6,;21.28,-16.72,;21.72,-18.19,;20.67,-19.32,;21.11,-20.79,;20.06,-21.91,;18.86,-21.63,;20.41,-23.09,;23.83,-15.95,;24.28,-17.43,;23.43,-18.32,;25.77,-17.79,;26.83,-16.67,;28.33,-17.03,;29.39,-15.91,;30.89,-16.27,;31.95,-15.15,;31.6,-13.97,;33.15,-15.43,;26.22,-19.26,;27.71,-19.62,;28.56,-18.72,;28.16,-21.09,;27.1,-22.21,;27.54,-23.69,;26.49,-24.81,;26.93,-26.29,;25.88,-27.41,;24.68,-27.13,;26.23,-28.59,;29.65,-21.45,;30.1,-22.92,;29.25,-23.82,;31.59,-23.28,;32.65,-22.16,;32.22,-20.69,;33.28,-19.57,;32.84,-18.09,;33.9,-16.97,;35.1,-17.26,;33.55,-15.79,;32.04,-24.76,;33.53,-25.11,;34.38,-24.22,;33.97,-26.59,;32.92,-27.71,;33.36,-29.18,;32.31,-30.31,;30.81,-29.95,;29.75,-31.08,;30.11,-32.25,;28.55,-30.79,;35.47,-26.94,;35.91,-28.42,;35.07,-29.31,;37.41,-28.77,;38.47,-27.66,;38.04,-26.18,;36.54,-25.82,;36.1,-24.35,;37.16,-23.23,;38.65,-23.59,;39.09,-25.06,;36.71,-21.76,;35.21,-21.4,;34.02,-21.12,;37.85,-30.25,;39.35,-30.61,;40.2,-29.71,;39.79,-32.08,;38.73,-33.2,;37.24,-32.84,;36.8,-31.37,;35.3,-31,;34.24,-32.12,;34.68,-33.6,;36.18,-33.96,;32.75,-31.76,;31.69,-32.88,;30.84,-33.77,;41.29,-32.44,;41.73,-33.91,;40.89,-34.81,;43.23,-34.27,;43.67,-35.75,;45.17,-36.1,;45.61,-37.58,;44.77,-38.47,;47.11,-37.93,;47.55,-39.41,;46.5,-40.53,;46.94,-42,;45.88,-43.12,;44.38,-42.76,;43.94,-41.29,;42.44,-40.93,;42.01,-39.45,;42.95,-38.25,;42.08,-36.98,;40.61,-37.42,;40.56,-38.96,;45,-40.17,;46.64,-36.49,;47.7,-35.37,;49.2,-35.73,;49.64,-37.2,;48.58,-38.32,;50.26,-34.61,;51.75,-34.97,;52.19,-36.44,;53.69,-36.8,;54.75,-35.69,;54.31,-34.21,;55.16,-33.32,;52.81,-33.85,;52.47,-32.67,;15.46,-11.22,;15.81,-12.4,;14.26,-10.93,;10.23,1.08,;11.76,1.25,;12.36,2.69,;11.44,3.92,;9.89,3.73,;9.3,2.3,;13.89,2.89,;14.64,1.91,;15.11,3.05,;14.36,4.03,)|
BDBM50106627 CCN1\C(=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)CCNC(=O)[C@@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:51.53,139.142,106.108,73.75,95.97,wD:84.86,120.123,62.64,40.42,36.37,155.164,c:7,(37.18,-30.09,;37.63,-28.95,;36.68,-27.74,;35.15,-27.8,;34.31,-29.09,;32.77,-29.01,;31.93,-30.3,;30.39,-30.21,;29.44,-31.39,;29.86,-32.87,;31.05,-33.17,;28,-30.86,;26.64,-31.59,;25.33,-30.75,;25.4,-29.21,;26.78,-28.49,;28.07,-29.33,;29.55,-28.92,;30.77,-28.74,;28.75,-27.98,;24.09,-28.4,;23,-28.98,;24.13,-27.17,;23.05,-27.74,;34.6,-26.41,;34.29,-25.22,;33.55,-27.51,;32.05,-27.18,;31.59,-25.71,;30.08,-25.37,;29.25,-26.27,;29.62,-23.9,;28.12,-23.56,;27.66,-22.09,;26.16,-21.75,;25.7,-20.28,;24.2,-19.94,;23.74,-18.47,;22.24,-18.14,;21.4,-19.04,;21.78,-16.67,;22.82,-15.54,;24.32,-15.88,;25.37,-14.74,;26.87,-15.08,;27.92,-13.95,;27.55,-12.78,;29.12,-14.23,;20.27,-16.33,;19.81,-14.86,;20.65,-13.95,;18.31,-14.52,;17.27,-15.65,;15.76,-15.31,;14.72,-16.44,;13.22,-16.1,;12.17,-17.23,;12.53,-18.41,;11.17,-17.01,;17.85,-13.05,;16.35,-12.71,;15.52,-13.62,;15.89,-11.24,;16.94,-10.11,;18.44,-10.45,;19.48,-9.32,;20.99,-9.66,;22.03,-8.53,;21.67,-7.35,;23.23,-8.8,;14.39,-10.9,;13.93,-9.43,;14.76,-8.53,;12.43,-9.1,;11.38,-10.23,;11.85,-11.7,;10.8,-12.84,;11.27,-14.31,;10.22,-15.44,;9.02,-15.17,;10.53,-16.42,;11.97,-7.63,;10.46,-7.29,;9.63,-8.19,;10,-5.82,;11.05,-4.68,;12.55,-5.02,;13.59,-3.88,;15.09,-4.22,;16.13,-3.08,;15.77,-1.91,;17.34,-3.35,;8.5,-5.48,;8.04,-4.01,;8.88,-3.11,;6.54,-3.67,;5.5,-4.81,;5.96,-6.28,;4.92,-7.41,;5.38,-8.88,;4.34,-10.02,;3.14,-9.75,;4.71,-11.19,;6.08,-2.2,;4.58,-1.87,;3.74,-2.77,;4.12,-.4,;5.16,.73,;6.67,.4,;7.12,-1.08,;8.62,-1.42,;9.67,-.29,;9.21,1.18,;7.71,1.52,;11.17,-.64,;11.62,-2.11,;11.98,-3.28,;2.62,-.06,;2.16,1.41,;2.99,2.32,;.65,1.75,;-.39,.62,;-1.89,.96,;-2.94,-.17,;-4.44,.16,;-4.9,1.63,;-3.86,2.76,;-2.35,2.43,;-6.4,1.97,;-6.86,3.44,;-7.22,4.62,;.19,3.22,;-1.31,3.56,;-2,2.8,;-1.77,5.03,;-3.27,5.37,;-3.73,6.84,;-5.23,7.17,;-6.07,6.27,;-5.69,8.64,;-7.2,8.98,;-8.24,7.85,;-9.74,8.18,;-10.78,7.05,;-10.32,5.58,;-8.82,5.25,;-8.36,3.78,;-9.39,2.64,;-9.07,1.15,;-10.41,.39,;-11.55,1.43,;-10.91,2.83,;-7.78,6.38,;-6.18,10.08,;-5.14,11.21,;-3.64,10.88,;-3.18,9.41,;-4.22,8.28,;-2.59,12.01,;-3.06,13.48,;-4.56,13.81,;-5.02,15.28,;-3.98,16.42,;-2.48,16.08,;-1.65,16.99,;-2.02,14.62,;-.81,14.35,;23.16,-21.08,;21.95,-20.81,;23.53,-22.25,;35.78,-25.43,;35.84,-23.89,;37.23,-23.18,;38.52,-24.02,;38.45,-25.57,;37.07,-26.26,;37.32,-21.65,;37.39,-20.42,;38.42,-21.09,;36.29,-20.97,)|
BDBM50106629 CCN1\C(=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCCNC(=O)[C@@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:106.108,73.75,150.155,95.97,51.53,wD:62.64,125.129,84.86,40.42,36.37,166.177,c:7,(-80.23,-12.05,;-79.14,-12.62,;-77.84,-11.79,;-77.75,-10.29,;-78.96,-9.34,;-78.74,-7.81,;-79.95,-6.86,;-79.73,-5.34,;-78.38,-4.64,;-77.02,-5.35,;-76.96,-6.58,;-78.61,-3.13,;-77.63,-1.94,;-78.19,-.49,;-79.71,-.24,;-80.7,-1.45,;-80.13,-2.89,;-80.82,-4.25,;-81.24,-5.41,;-81.59,-3.29,;-80.25,1.2,;-80.68,2.35,;-79.47,2.15,;-81.46,1.4,;-76.28,-9.87,;-75.07,-9.69,;-77.28,-8.71,;-76.78,-7.25,;-75.28,-6.95,;-74.78,-5.49,;-75.6,-4.56,;-73.27,-5.18,;-72.78,-3.72,;-71.27,-3.42,;-70.78,-1.96,;-69.27,-1.65,;-68.78,-.19,;-67.27,.11,;-66.78,1.57,;-67.6,2.5,;-65.27,1.88,;-64.26,.72,;-64.75,-.74,;-63.73,-1.9,;-64.22,-3.35,;-63.21,-4.51,;-62,-4.27,;-63.6,-5.68,;-64.78,3.34,;-63.27,3.64,;-62.46,2.72,;-62.78,5.1,;-63.8,6.25,;-65.31,5.95,;-66.33,7.1,;-67.84,6.79,;-68.86,7.95,;-68.47,9.11,;-70.07,7.7,;-61.27,5.41,;-60.78,6.87,;-61.59,7.79,;-59.27,7.17,;-58.25,6.02,;-56.74,6.33,;-55.72,5.17,;-54.21,5.48,;-53.19,4.33,;-53.58,3.16,;-52.18,4.53,;-58.78,8.63,;-57.27,8.94,;-56.45,8.01,;-56.78,10.4,;-57.79,11.55,;-57.3,13.01,;-58.32,14.17,;-57.82,15.63,;-58.84,16.79,;-60.05,16.54,;-58.51,17.76,;-55.27,10.7,;-54.78,12.16,;-55.59,13.08,;-53.27,12.47,;-52.25,11.31,;-52.74,9.85,;-51.73,8.69,;-52.22,7.23,;-51.2,6.08,;-50,6.32,;-51.53,5.11,;-52.78,13.93,;-51.27,14.23,;-50.45,13.31,;-50.78,15.69,;-51.8,16.84,;-53.31,16.54,;-54.33,17.69,;-55.84,17.38,;-56.86,18.54,;-56.47,19.7,;-57.86,18.33,;-49.27,16,;-48.77,17.46,;-49.59,18.38,;-47.27,17.76,;-46.25,16.6,;-46.74,15.15,;-45.73,13.99,;-46.22,12.53,;-47.73,12.23,;-48.75,13.39,;-48.25,14.85,;-48.23,10.77,;-49.44,10.54,;-47.22,9.61,;-45.71,9.91,;-44.7,8.75,;-45.19,7.3,;-46.7,7,;-47.72,8.16,;-46.77,19.22,;-45.26,19.53,;-44.45,18.6,;-44.77,20.99,;-45.79,22.14,;-45.3,23.6,;-43.79,23.91,;-43.3,25.37,;-44.32,26.52,;-45.83,26.21,;-46.32,24.76,;-43.83,27.98,;-42.62,28.23,;-44.85,29.13,;-44.36,30.59,;-45.38,31.75,;-46.89,31.44,;-47.38,29.98,;-46.36,28.83,;-43.26,21.29,;-42.77,22.75,;-43.45,23.52,;-41.26,23.06,;-40.77,24.52,;-39.26,24.82,;-38.77,26.28,;-37.26,26.59,;-36.45,25.66,;-36.77,28.05,;-35.26,28.35,;-34.24,27.2,;-32.73,27.5,;-31.71,26.34,;-32.21,24.88,;-33.72,24.58,;-34.21,23.12,;-33.19,21.97,;-33.53,20.48,;-32.21,19.7,;-31.06,20.72,;-31.67,22.13,;-34.73,25.74,;-38.25,27.71,;-39.27,28.86,;-38.78,30.32,;-37.27,30.63,;-36.25,29.47,;-39.8,31.48,;-39.31,32.94,;-37.8,33.24,;-37.31,34.7,;-38.33,35.85,;-39.84,35.55,;-40.66,36.47,;-40.33,34.09,;-41.54,33.85,;-69.8,.96,;-69.41,2.13,;-71.01,.71,;-75.45,-11.16,;-73.92,-11.38,;-73.37,-12.84,;-74.33,-14.03,;-75.87,-13.79,;-76.41,-12.35,;-71.85,-13.09,;-71.41,-14.24,;-71.06,-12.14,;-70.63,-13.29,)|
BDBM50106630 CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](Cc3ccc(cc3)N=[N+]=[N-])NC(=O)CCNC(=O)[C@@]3(Cc4cccc(Nc5nccs5)n4)CC[C@@H](CC3)Oc3cccc(Cl)c3F)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:55.56,36.37,wD:71.78,(-6.4,.92,;-5.34,1.54,;-5.34,2.77,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.84,;1.35,-5.38,;.03,-6.16,;-1.31,-5.4,;-1.32,-3.86,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;.04,-7.7,;-1.02,-8.33,;1.38,-8.46,;1.39,-10,;2.74,-10.76,;2.75,-12.3,;4.09,-13.06,;4.1,-14.6,;5.44,-15.36,;5.46,-16.9,;6.8,-17.66,;6.81,-19.2,;8.15,-19.96,;8.17,-21.5,;9.51,-22.26,;9.52,-23.8,;10.86,-24.56,;10.88,-26.1,;9.81,-26.73,;12.22,-26.86,;13.54,-26.08,;13.53,-24.54,;14.85,-23.75,;14.83,-22.21,;13.49,-21.46,;12.17,-22.24,;12.18,-23.78,;13.47,-19.92,;12.12,-19.16,;11.05,-18.56,;12.23,-28.4,;13.57,-29.16,;14.63,-28.54,;13.58,-30.7,;14.93,-31.46,;14.94,-33,;16.28,-33.76,;17.34,-33.14,;16.29,-35.3,;17.64,-36.06,;18.96,-35.28,;18.95,-33.74,;20.27,-32.96,;21.62,-33.71,;21.63,-35.25,;22.97,-36.01,;24.3,-35.22,;24.42,-33.7,;25.92,-33.36,;26.71,-34.68,;25.7,-35.84,;20.3,-36.04,;16.34,-36.82,;15.02,-37.6,;13.68,-36.84,;13.66,-35.3,;14.99,-34.52,;12.35,-37.63,;12.37,-39.17,;13.71,-39.92,;13.73,-41.46,;12.4,-42.25,;11.06,-41.5,;10,-42.12,;11.04,-39.96,;9.97,-39.35,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;5.33,1.54,;6.4,.93,;5.33,2.78,)|
BDBM50106631 CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc3ccc(cc3)N=[N+]=[N-])NC(=O)[C@H](Cc3ccc(cc3)N=[N+]=[N-])NC(=O)CCCNC(=O)[C@@]3(Cc4cccc(Nc5nccs5)n4)CC[C@@H](CC3)Oc3cccc(Cl)c3F)C(N)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:62.64,42.44,wD:78.86,28.29,24.24,(-6.4,.92,;-5.34,1.54,;-5.34,2.77,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.84,;1.35,-5.38,;.03,-6.16,;-1.31,-5.4,;-1.32,-3.86,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;.04,-7.7,;-1.02,-8.33,;1.38,-8.46,;1.39,-10,;2.74,-10.76,;2.75,-12.3,;4.09,-13.06,;4.1,-14.6,;5.44,-15.36,;5.46,-16.9,;4.4,-17.53,;6.8,-17.66,;8.12,-16.88,;8.11,-15.34,;9.43,-14.55,;9.41,-13.01,;8.07,-12.26,;6.75,-13.04,;6.77,-14.58,;8.05,-10.72,;6.71,-9.96,;5.63,-9.36,;6.81,-19.2,;8.15,-19.96,;9.21,-19.34,;8.17,-21.5,;6.84,-22.28,;5.5,-21.52,;4.17,-22.3,;2.83,-21.53,;2.82,-19.99,;4.15,-19.22,;5.49,-19.98,;1.49,-19.23,;1.48,-17.69,;1.48,-16.45,;9.51,-22.26,;9.52,-23.8,;8.46,-24.43,;10.86,-24.56,;10.88,-26.1,;12.22,-26.86,;12.23,-28.4,;13.57,-29.16,;14.63,-28.54,;13.58,-30.7,;14.93,-31.46,;16.25,-30.68,;16.24,-29.14,;17.56,-28.36,;18.91,-29.11,;18.92,-30.65,;20.27,-31.41,;21.59,-30.62,;21.71,-29.1,;23.21,-28.76,;24,-30.08,;22.99,-31.24,;17.6,-31.44,;13.64,-32.22,;12.31,-33,;10.97,-32.24,;10.95,-30.7,;12.28,-29.92,;9.64,-33.03,;9.66,-34.57,;11,-35.32,;11.02,-36.86,;9.7,-37.65,;8.35,-36.9,;7.29,-37.52,;8.33,-35.36,;7.26,-34.75,;2.77,-15.38,;2.78,-16.61,;1.7,-14.77,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;5.33,1.54,;6.4,.93,;5.33,2.78,)|
BDBM50109528 COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
BDBM50106624 CN(C)c1ccc2C(C3C=CC(C=C3Oc2c1)=[N+](C)C)c1ccc(cc1C(O)=O)C(=O)NCCCC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)N=[N+]=[N-])NC(=O)CCCCCNC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F)C(N)=O |r,wU:106.110,40.44,62.66,128.132,84.88,wD:73.77,95.99,51.55,36.39,144.154,c:9,12,(27.66,36,;26.6,35.38,;26.6,34.15,;25.26,36.15,;23.93,35.38,;22.6,36.15,;22.59,37.7,;21.26,38.45,;21.26,39.99,;19.92,40.76,;19.92,42.3,;21.25,43.07,;22.59,42.3,;22.59,40.77,;23.92,40,;23.92,38.48,;25.26,37.69,;21.25,44.61,;22.31,45.23,;20.18,45.22,;19.93,37.68,;18.6,38.44,;17.27,37.67,;17.27,36.13,;18.6,35.37,;19.93,36.14,;21.27,35.37,;22.16,35.88,;21.27,34.14,;15.93,35.37,;15.93,34.13,;14.6,36.14,;13.27,35.37,;11.93,36.14,;10.6,35.37,;9.26,36.14,;7.93,35.37,;6.6,36.14,;5.26,35.37,;5.26,34.14,;3.93,36.14,;3.93,37.68,;5.27,38.45,;5.27,39.99,;6.61,40.75,;6.61,42.29,;5.54,42.91,;7.68,42.91,;2.59,35.37,;1.26,36.14,;1.26,37.37,;-.07,35.37,;-.08,33.83,;-1.41,33.06,;-1.42,31.52,;-2.75,30.76,;-2.76,29.22,;-1.69,28.6,;-3.82,28.6,;-1.41,36.14,;-2.74,35.37,;-2.74,34.14,;-4.08,36.14,;-4.07,37.68,;-2.74,38.45,;-2.73,39.99,;-1.4,40.76,;-1.39,42.3,;-2.46,42.92,;-.33,42.91,;-5.41,35.37,;-6.74,36.14,;-6.74,37.37,;-8.08,35.37,;-8.08,33.83,;-9.42,33.07,;-9.42,31.53,;-10.76,30.76,;-10.76,29.22,;-9.7,28.6,;-11.65,28.71,;-9.41,36.14,;-10.75,35.38,;-10.75,34.14,;-12.08,36.15,;-12.08,37.69,;-13.42,38.45,;-13.42,39.99,;-14.75,40.76,;-14.76,42.3,;-13.69,42.92,;-15.82,42.92,;-13.41,35.38,;-14.75,36.15,;-14.75,37.38,;-16.08,35.38,;-16.08,33.84,;-14.75,33.07,;-14.74,31.53,;-13.41,30.76,;-13.41,29.22,;-14.47,28.6,;-12.52,28.71,;-17.42,36.15,;-18.75,35.38,;-18.75,34.15,;-20.08,36.15,;-20.09,37.69,;-21.42,38.46,;-21.42,40,;-22.75,40.77,;-24.09,40,;-24.09,38.46,;-22.76,37.69,;-25.42,40.77,;-25.41,42.31,;-25.41,43.54,;-21.42,35.38,;-22.75,36.15,;-22.75,37.18,;-24.09,35.38,;-25.42,36.15,;-26.75,35.38,;-28.09,36.15,;-29.42,35.38,;-30.76,36.15,;-32.09,35.38,;-32.09,34.15,;-33.42,36.15,;-34.76,35.38,;-34.76,33.84,;-33.43,33.08,;-33.42,31.54,;-34.76,30.76,;-36.09,31.53,;-37.42,30.76,;-38.76,31.52,;-38.9,33.04,;-40.41,33.36,;-41.18,32.03,;-40.14,30.88,;-36.09,33.07,;-34.76,36.88,;-34.76,38.42,;-33.42,39.19,;-32.09,38.42,;-32.09,36.88,;-33.43,40.73,;-34.76,41.5,;-36.09,40.72,;-37.43,41.49,;-37.43,43.03,;-36.1,43.8,;-36.11,45.03,;-34.77,43.04,;-33.7,43.66,;7.93,33.83,;6.87,33.21,;9,33.21,)|
BDBM50106625 CCN1\C(=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)[C@@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)CCNC(=O)[C@@]2(Cc3cccc(Nc4nccs4)n3)CC[C@@H](CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:139.142,73.75,106.108,95.97,51.53,wD:120.123,62.64,40.42,36.37,84.86,155.164,c:7,(33.39,-23.49,;32.18,-23.73,;31.69,-25.19,;32.56,-26.41,;34.1,-26.39,;34.88,-27.72,;36.42,-27.71,;37.21,-29.03,;38.71,-29.16,;39.71,-27.99,;39.3,-26.83,;39.07,-30.65,;40.43,-31.38,;40.46,-32.94,;39.15,-33.74,;37.78,-32.99,;37.76,-31.45,;36.6,-30.45,;36.26,-31.63,;35.78,-29.54,;39.2,-35.27,;40.28,-35.86,;38.15,-35.92,;39.24,-36.51,;31.68,-27.66,;30.85,-28.57,;33.18,-27.94,;33.72,-29.38,;32.73,-30.57,;33.27,-32.01,;34.48,-32.22,;32.28,-33.2,;32.82,-34.64,;31.83,-35.83,;32.37,-37.27,;31.38,-38.46,;31.92,-39.9,;30.93,-41.09,;31.47,-42.53,;32.68,-42.74,;30.48,-43.72,;28.97,-43.46,;27.98,-44.65,;26.46,-44.39,;25.48,-45.58,;23.96,-45.32,;23.53,-44.17,;23.18,-46.27,;31.02,-45.16,;30.03,-46.35,;28.82,-46.14,;30.57,-47.79,;32.09,-48.05,;33.07,-46.86,;34.59,-47.12,;35.57,-45.93,;37.09,-46.19,;37.52,-47.34,;37.87,-45.24,;29.58,-48.98,;30.12,-50.42,;31.33,-50.63,;29.14,-51.61,;27.62,-51.35,;26.63,-52.54,;25.12,-52.28,;24.13,-53.47,;22.62,-53.21,;22.19,-52.06,;21.83,-54.16,;29.67,-53.05,;28.69,-54.24,;27.47,-54.03,;29.22,-55.68,;30.74,-55.94,;31.27,-57.39,;32.79,-57.65,;33.32,-59.1,;34.84,-59.36,;35.62,-58.41,;35.19,-60.32,;28.24,-56.87,;28.77,-58.31,;29.98,-58.52,;27.79,-59.5,;26.27,-59.24,;25.29,-60.43,;23.77,-60.17,;22.79,-61.36,;21.27,-61.1,;20.84,-59.95,;20.48,-62.05,;28.32,-60.94,;27.34,-62.13,;26.12,-61.92,;27.87,-63.57,;29.39,-63.83,;30.37,-62.64,;31.89,-62.9,;32.87,-61.71,;34.39,-61.97,;34.82,-63.12,;35.05,-61.18,;26.89,-64.76,;25.37,-64.5,;24.94,-63.34,;24.39,-65.68,;24.92,-67.13,;26.44,-67.38,;27.42,-66.19,;28.94,-66.45,;29.48,-67.89,;28.5,-69.08,;26.98,-68.82,;31,-68.14,;31.98,-66.95,;32.76,-66,;22.87,-65.43,;21.88,-66.61,;22.31,-67.77,;20.37,-66.35,;19.83,-64.91,;18.31,-64.65,;17.78,-63.21,;16.26,-62.95,;15.27,-64.14,;15.81,-65.58,;17.33,-65.84,;13.76,-63.87,;13.23,-62.43,;12.8,-61.27,;19.38,-67.54,;17.86,-67.28,;17.51,-66.32,;16.88,-68.47,;15.36,-68.21,;14.38,-69.39,;12.86,-69.13,;12.43,-67.98,;11.88,-70.32,;10.36,-70.06,;9.82,-68.62,;10.81,-67.43,;10.27,-65.99,;8.76,-65.73,;7.77,-66.91,;6.25,-66.66,;5.27,-67.84,;3.75,-67.73,;3.18,-69.16,;4.37,-70.14,;5.67,-69.31,;8.31,-68.36,;13.38,-70.54,;13.91,-71.98,;12.93,-73.17,;11.41,-72.91,;10.88,-71.46,;13.47,-74.61,;14.99,-74.87,;15.97,-73.68,;17.49,-73.93,;18.03,-75.37,;17.05,-76.56,;17.48,-77.71,;15.53,-76.31,;14.75,-77.26,;33.44,-40.16,;33.86,-41.31,;34.22,-39.21,;30.22,-27.19,;28.89,-27.97,;27.55,-27.18,;27.55,-25.65,;28.9,-24.86,;30.23,-25.65,;26.21,-27.94,;26.2,-29.17,;25.15,-27.32,;25.14,-28.55,)|
BDBM50096228 CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r|
BDBM50096229 CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:3.2,21.22,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|
BDBM50096230 CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:4.3,22.23,wD:7.7,(-3.74,3.69,;-2.68,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|
BDBM50096231 CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
BDBM50096233 CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CCC(=O)C2)n1
BDBM50096234 COCC(C)c1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1
BDBM50096235 CN(Cc1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1)C(C)=O
BDBM50096236 CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@@H]2CCN(C)C2=O)n1 |r|
BDBM50096237 CN1CC[C@@H](C1=O)c1cc(Nc2ccnc(NC[C@H]3CC[C@H](N)CC3)n2)n[nH]1 |r,wU:18.18,4.7,wD:21.22,(3.92,-10.74,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,-.77,;2.72,-3.21,;3.76,-4.35,)|
BDBM50096238 CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2CCCN(C)C2=O)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.17,-7.12,;5.9,-8.48,;5.1,-9.79,;3.56,-9.75,;2.91,-10.8,;2.82,-8.4,;1.59,-8.37,;-1.33,-.77,)|
BDBM50096239 CCN1CC[C@@H](C1=O)c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,5.8,wD:24.26,(4.87,-11.79,;3.88,-11.04,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)|
BDBM50096240 C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,7.8,wD:24.26,1.0,(1.74,-8.68,;2.96,-8.46,;4.08,-9.51,;5.43,-8.77,;6.54,-9.3,;5.14,-7.26,;5.98,-6.36,;3.62,-7.09,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)|
BDBM50096241 CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2C(=O)N(C)CC2(C)C)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.98,-6.36,;5.43,-8.77,;6.54,-9.3,;4.08,-9.51,;2.96,-8.46,;2.17,-7.51,;2.56,-9.62,;-1.33,-.77,)|
BDBM231252 Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)C(O)=O)ccc2C#N)n[nH]1
BDBM50157880 Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50157881 Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50156383 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50157879 [H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
BDBM50160872 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)ccn3)nn2)c1
BDBM50160876 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ccccn3)nn2)c1
BDBM50160878 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncnc4ccsc34)nn2)c1
BDBM50160880 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncnc4ccsc34)nn2)c1
BDBM50158429 Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
BDBM50157628 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50160885 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3nc4ccccc4o3)nn2)c1
BDBM50160887 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncccn3)nn2)c1
BDBM50160896 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)on3)nn2)c1
BDBM50160911 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ccccc3)nn2)c1
BDBM50160992 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2ccc3OCOc3c2)c1
BDBM50160993 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2ccc3nccnc3c2)c1
BDBM239963 CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1
BDBM239966 Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
BDBM50182493 CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
BDBM106152 CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM50192858 COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
BDBM50183019 Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
BDBM50175305 OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)|
BDBM247367 Cn1cc(cn1)-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
BDBM247368 Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
BDBM247369 Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ncon4)CC3)c(Cl)cnc2[nH]1
BDBM247370 Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1
BDBM50160877 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)[nH]n3)nn2)c1
BDBM50160888 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncccn3)nn2)c1
BDBM50160994 COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cccc(c2)[N+]([O-])=O)c1
BDBM247371 Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1
BDBM50193012 CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12
BDBM50206819 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3)n2)n[nH]1
BDBM50206857 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1
BDBM50206858 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccncc3)n2)n[nH]1
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50206390 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ccccc3)cc12
BDBM50206391 COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
BDBM50206392 CCOC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
BDBM50206393 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50206394 Nc1cccc(c1)-c1n[nH]c2ccccc12
BDBM50206406 OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
BDBM50206407 OC(=O)\C=C\C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
BDBM50206408 COC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
BDBM50206409 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
BDBM50206410 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
BDBM50206411 CCNC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
BDBM50206412 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
BDBM50206413 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
BDBM50206414 CC(C)OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
BDBM50206415 NC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
BDBM50206417 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc12
BDBM50206418 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NCc3ccccc3)cc12
BDBM50206419 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12
BDBM50206444 C=CC(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
BDBM50206445 CCOC(=O)\C=C\C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
BDBM50206446 OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2cc(NS(=O)(=O)c3ccccc3)ccc12
BDBM50206447 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
BDBM50206859 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1
BDBM50206860 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3Cl)n2)n[nH]1
BDBM50206861 CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1
BDBM50206862 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3C)n2)n[nH]1
BDBM50206863 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3)n2)n[nH]1
BDBM50198045 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(CO)cc3)c2)C(=O)N1C
BDBM50198046 CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(C)(C)C
BDBM50197972 CNC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
BDBM50197973 Cc1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O
BDBM50198048 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1CCOC
BDBM50198049 CCCCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
BDBM50198050 OC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
BDBM50198051 CCc1cccc(c1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
BDBM50198069 Cc1cccc2[nH]c(nc12)-n1c2ccccc2[nH]c1=O
BDBM50193014 CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)c1
BDBM50198052 CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
BDBM50198053 O=c1[nH]c2ccccc2n1-c1nc2ccccc2[nH]1
BDBM50198070 FC(F)(F)c1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O
BDBM50198071 Oc1cccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c12
BDBM50198074 CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(C)c(C)c1
BDBM50198076 CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(F)(F)F
BDBM50198077 CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(Br)cc1
BDBM50198078 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(N)c2)C(=O)N1C
BDBM50198079 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCN)c2)C(=O)N1C
BDBM50198072 Clc1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
BDBM50198073 CNC(=O)c1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
BDBM50193017 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
BDBM50193020 CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)Nc3cccc(NC(=O)C=C)c3)nc12
BDBM50198083 CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccccc1
BDBM50198084 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccccn3)c2)C(=O)N1C
BDBM50198152 CCc1ccc(cc1)\N=C1\NC(=O)\C(S1)=C\c1ccncc1
BDBM50198153 CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(N)c2)C(=O)N1C
BDBM50198163 Oc1cccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c12
BDBM50193030 CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
BDBM50193031 CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12
BDBM50193032 CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCN(CC3)C(=O)C=C)nc12
BDBM50206416 CC#CC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
BDBM50198042 CCN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(CC)cc1
BDBM50198159 CCCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
BDBM50198162 CC(C)c1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
BDBM50206864 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1
BDBM50206865 Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1
BDBM50198027 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
BDBM50198041 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
BDBM50198043 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccccc3)c2)C(=O)N1C
BDBM50198044 CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)-c3nnn[nH]3)c2)C(=O)N1C
BDBM50198154 Oc1ccc2n(-c3n