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1530 SMILES Strings for Cyclin-dependent kinase 9

Compound NameSMILES String
BDBM126500 COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
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|
BDBM5929 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCNC3)s2)o1
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6309 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
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|
BDBM7585 CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM8061 Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
BDBM8066 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
BDBM12028 Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
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
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,)|
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
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
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
BDBM25036 CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
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
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM31099 CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM50580 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
BDBM59227 CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)|
BDBM81429 CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
BDBM81430 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
BDBM81431 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
BDBM81432 CNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
BDBM81433 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
BDBM81434 CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
BDBM81435 CCNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
BDBM81436 CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
BDBM81437 Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
BDBM81438 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2sc(=O)n(C)c2C)cc1
BDBM81439 Cc1c(sc(=O)n1C)-c1ccnc(Nc2cccc(c2)C#N)n1
BDBM81440 Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
BDBM81441 Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
BDBM60459 [H][C@@]12CC(C[C@]1([H])CN(C2)S(C)(=O)=O)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |r|
BDBM60458 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C |t:21,TLB:26:25:21.22:24.18.19|
BDBM60462 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2C(=O)CN1CC(O)C1 |t:21,TLB:26:25:21.22:24.18.19,THB:15:18:25:21.22|
BDBM60461 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C |t:22,TLB:27:26:22.23:25.19.20,THB:16:19:26:22.23,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-5,1.86,;-6.66,1.94,;-8.15,1.54,;-8.15,-0,;-6.33,.45,;-5,-.32,;-5.51,3.37,;-5.91,4.85,;-5.14,6.19,;-3.6,6.19,;-5.53,7.67,;-7.02,8.07,;-4.45,8.76,)|
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM106950 CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106951 CC[C@H](Nc1nc(NCc2ccc(C)nc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106952 CC[C@H](Nc1nc(NCc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106953 CC[C@H](Nc1nc(NCc2cccc(F)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106954 CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)[C@@H](C)O |r|
BDBM106955 CC[C@H](Nc1nc(NC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106956 CC[C@H](Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106957 CC[C@H](Nc1nc(NC2CCC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106958 CC[C@H](Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106959 CC[C@H](Nc1nc(NCc2cc(C)nc(C)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106960 CC[C@H](Nc1nc(NCc2ccc(nc2)C(F)(F)F)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106961 CC[C@H](Nc1nc(NCc2cccc(C)n2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106962 CC[C@H](Nc1nc(NCc2ncccc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106963 C[C@@H](O)CNc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
BDBM106964 CC(C)n1cnc2c(NCc3cccnc3)nc(NCC(O)C(F)(F)F)nc12
BDBM106965 CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(F)(F)F
BDBM120933 COc1ccccc1-c1cc(ncn1)N(C)C(=O)[C@@H]1CCCNC1 |r|
BDBM120934 COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2)ncn1
BDBM120935 COc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1
BDBM120936 COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
BDBM120938 COc1ccccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)ncn1
BDBM120939 COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1
BDBM120940 COc1ccccc1-c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ncn1
BDBM120941 COc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
BDBM120942 COc1ccc(F)cc1-c1cc(NC(=O)Cc2ccncc2)ncn1
BDBM120943 COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1
BDBM123786 Nc1n[nH]c(N)c1\N=N\c1ccncc1
BDBM50056163 CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
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
BDBM50140257 COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50186373 C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
BDBM50186374 Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1
BDBM50186375 CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
BDBM50186376 Cc1cc(nc(OC2CCCCC2)n1)-c1cnc(Nc2ccccn2)s1
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50229973 Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
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|
BDBM50246360 CC1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246361 CCC1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246464 C[C@H]1CNC[C@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246465 C[C@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246466 C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246467 C[C@@H]1CNC[C@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246253 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
BDBM50246413 CC(C)C1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246414 CC1NCCCC1C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246415 CC1CCC(CN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246416 CC1CNCC(C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50267760 COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|
BDBM50267523 Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4|
BDBM50267565 COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|
BDBM50267607 Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4|
BDBM50279061 O=C1NC(SCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12|
BDBM50279338 O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2|
BDBM50279099 O=C1NC(NCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12|
BDBM50293181 CC(C)(C)c1cnc(CSc2cnc(N)s2)o1
BDBM50293182 CC(C)(C)c1cnc(CSc2cnc(NCC3CCNCC3)s2)o1
BDBM50293173 CC(C)(C)c1cnc(CSc2cnc(NCC3CCCCC3)s2)o1
BDBM50293174 CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)|
BDBM50293175 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CC[C@H](N)CC3)s2)o1 |r,wD:15.14,18.18,(-8.74,-18,;-7.24,-18.41,;-6.8,-16.94,;-7.67,-19.89,;-5.77,-18.89,;-5.3,-20.35,;-3.76,-20.35,;-3.28,-18.89,;-1.81,-18.41,;-.67,-19.45,;.8,-18.97,;2.04,-19.88,;3.29,-18.98,;2.81,-17.51,;3.72,-16.26,;5.26,-16.26,;6.01,-14.93,;7.55,-14.93,;8.32,-16.26,;9.87,-16.26,;7.55,-17.59,;6.03,-17.59,;1.27,-17.51,;-4.53,-17.98,)|
BDBM50293176 CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](O)CC3)s2)o1 |r,wU:18.18,wD:15.14,(13.85,-15.9,;15.35,-16.31,;15.79,-14.83,;14.91,-17.79,;16.81,-16.79,;17.29,-18.25,;18.83,-18.25,;19.31,-16.79,;20.77,-16.31,;21.92,-17.34,;23.39,-16.87,;24.63,-17.78,;25.88,-16.87,;25.4,-15.41,;26.31,-14.16,;27.84,-14.16,;28.61,-15.49,;30.14,-15.48,;30.91,-14.15,;32.45,-14.15,;30.14,-12.82,;28.6,-12.82,;23.86,-15.41,;18.06,-15.88,)|
BDBM50293177 CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(N)C3)s2)o1
BDBM50293178 CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(O)C3)s2)o1
BDBM50293179 CC(C)(C)c1cnc(CSc2cnc(NC3CCCCC3)s2)o1
BDBM50293180 CC(C)(C)c1cnc(CSc2cnc(NC3CCNCC3)s2)o1
BDBM50277583 Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
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
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|
BDBM50312990 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(F)ccc12 |t:4|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50352019 Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:7.7|
BDBM50358213 CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM50347389 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
BDBM50363196 CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
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|
BDBM50381716 Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
BDBM50384879 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)o3 |t:28|
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50434821 Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1
BDBM50439560 Cc1n[nH]c2ccc(cc12)-c1cccnc1
BDBM50436477 C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
BDBM50439561 NC(=O)c1cc([nH]c1-c1ccc(Cl)cc1Cl)-c1ccnc(N)n1
BDBM50013510 COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
BDBM60455 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCN2CCOCC2)CC1
BDBM60453 [O-][n+]1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM60457 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1S(C)(=N)=O
BDBM60466 OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1 |c:7|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM167588 COc1cc(Cl)ccc1-c1ccnc2[nH]c(cc12)C1CNC(C)(C)CO1
BDBM167589 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCC(N)CC1 |(4.87,2.22,;6.21,1.45,;7.54,2.22,;7.54,3.76,;8.87,4.53,;10.21,3.76,;11.54,4.53,;10.21,2.22,;8.87,1.45,;8.87,-.09,;10.21,-.86,;10.21,-2.4,;8.87,-3.17,;7.54,-2.4,;6.07,-2.88,;5.17,-1.63,;6.07,-.39,;7.54,-.86,;3.63,-1.63,;2.86,-.3,;1.32,-.3,;.55,-1.63,;-.99,-1.63,;1.32,-2.97,;2.86,-2.97,)|
BDBM167590 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCC(N)C1
BDBM167591 COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)c(C)c12
BDBM167592 Clc1cnc2[nH]c(cc2c1-c1cccc(NCc2ccccc2)n1)C1CCNCC1
BDBM167593 Fc1cccc(c1)-c1c(Cl)cnc2[nH]c(cc12)C1CCCNC1
BDBM167676 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCN2CCOCC2)n1
BDBM167677 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCO)n1
BDBM167678 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCNCC2)ccc1Cl
BDBM167679 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CCOCC1
BDBM167680 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(Cc2ccncc2)C1
BDBM167681 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(C1)C(C)=O
BDBM167761 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)CCO)CC1
BDBM167762 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)NC2CC(O)C2)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,3.44,;-13.1,3.84,;-12.7,5.32,;-13.47,6.66,;-11.21,4.92,;-6.22,2.1,;-4.68,2.1,)|
BDBM167763 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(O)C2)CC1
BDBM167764 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(O)=O)C(C)(C)C |t:21|
BDBM60456 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2S(C)(=O)=O |t:21,TLB:26:25:21.22:24.18.19,THB:15:18:21.22:25|
BDBM60460 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C)C#N |t:21,TLB:26:25:21.22:24.18.19,THB:15:18:25:21.22,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-5,1.86,;-6.66,1.94,;-8.15,1.54,;-8.15,-0,;-6.33,.45,;-5,-.32,;-5.51,3.37,;-5.91,4.85,;-5.14,6.19,;-3.6,6.19,;-5.53,7.67,;-7.02,8.07,;-4.45,8.76,;4,2.31,;5.33,3.08,)|
BDBM167594 Fc1cccc(n1)-c1c(Cl)cnc2[nH]c(cc12)C1CCCNC1
BDBM167595 Clc1cnc2[nH]c(cc2c1-c1cccc(NCc2ccccc2)n1)C1CCCNC1
BDBM167596 Clc1cnc2[nH]c(cc2c1-c1cccc(NCC2CCOCC2)n1)C1CCCNC1
BDBM167597 CN1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(NCc2ccccc2)n1
BDBM167598 COC(=O)N1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(NCc2ccccc2)n1
BDBM167682 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(CCN)C1
BDBM167683 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(CC2CCOCC2)C1
BDBM167684 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(CCN2CCOCC2)C1
BDBM167685 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(CCO)C1
BDBM167686 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCN(C2)C(=O)OC(C)(C)C)ccc1Cl
BDBM167765 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,3.44,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,)|
BDBM167766 COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N(C)C)CC1 |t:23|
BDBM167767 COc1ccccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM167768 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](C)N(CC1)S(C)(=O)=O |t:21|
BDBM167769 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCN(CC(=O)N2CC(O)C2)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.93,3.19,;-13.02,2.1,;-14.56,2.1,;-11.93,1.01,;-6.22,2.1,;-4.68,2.1,)|
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM167599 CC(C)S(=O)(=O)N1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(NCc2ccccc2)n1
BDBM167600 NC1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(F)c1
BDBM167601 NC1CCCC(C1)c1cc2c(c(Cl)cnc2[nH]1)-c1cccc(NCc2ccccc2)n1
BDBM167602 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
BDBM167603 C(Nc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)C1CCOCC1
BDBM167604 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CCOCC2)n1
BDBM167687 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCS(=O)(=O)CC2)ccc1Cl
BDBM167688 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(OCC(O)=O)c2)ccc1Cl
BDBM167689 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccc(OCC(O)=O)cc2)ccc1Cl
BDBM167690 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCN(CC2)C(C)=O)ccc1Cl
BDBM167691 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2nnc[nH]2)ccc1Cl
BDBM167770 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)[C@H](CO)C1 |t:21|
BDBM167771 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](CO)N(CC(=O)N(C)C)CC1 |t:21|
BDBM167772 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O |t:21|
BDBM167773 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N(C)C)CC1 |t:24,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,-1.9,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,)|
BDBM167774 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC1)S(C)(=O)=O |t:24,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-8.53,2.31,;-10.07,.77,;-8.53,-.77,)|
BDBM167517 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167605 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccnc2)n1
BDBM167606 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCSc2ccccc2)n1
BDBM167607 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CC2)n1
BDBM167608 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN1
BDBM167609 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CCOC(C)(C)C2)n1
BDBM167610 CN(Cc1ccccc1)c1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167692 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCC2CCOCC2)ccc1F
BDBM167693 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CN1CCCCC1
BDBM167694 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CN1CCOCC1
BDBM167695 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CNC1CCC(O)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,-.56,;-9.3,2.1,;-10.84,2.1,;-11.61,3.44,;-13.15,3.44,;-13.92,4.77,;-13.15,6.1,;-13.92,7.44,;-11.61,6.1,;-10.84,4.77,)|
BDBM167696 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CNCCO
BDBM167775 CNC(=O)N1CCC(=CC1)c1[nH]c2ncc(F)c(-c3cc(F)ccc3OC)c2c1C#N |c:7,(-10.84,-.56,;-9.3,-.56,;-8.53,.77,;-9.3,2.1,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;1.33,2.31,;1.33,3.85,;,4.62,;,6.16,;-1.33,6.93,;1.33,6.93,;2.67,6.16,;2.67,4.62,;4,3.85,;5.33,4.62,;,1.54,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,)|
BDBM167776 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:24,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.93,.53,;-13.02,-.56,;-14.56,-.56,;-11.93,-1.65,;-6.22,2.1,;-4.68,2.1,)|
BDBM167777 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(c(C#N)c12)C1=CCN(CC(=O)N2CCC[C@@H]2CO)CC1 |wU:32.36,t:24,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-2.42,4.95,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.75,.68,;-13.21,.21,;-13.21,-1.33,;-11.75,-1.81,;-11.27,-3.27,;-12.3,-4.42,;-6.22,2.1,;-4.68,2.1,)|
BDBM167778 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@H](CO)N(CC(=O)N(C)C)CC1 |t:21|
BDBM167518 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167519 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CCCNC1
BDBM167520 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCCNC1
BDBM167521 COc1ccc(N)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167522 COc1ccc(cc1-c1ccnc2[nH]c(cc12)C1CCCNC1)C1=NCCN1 |t:27|
BDBM167523 COc1ccc(cc1-c1ccnc2[nH]c(cc12)C1CCCNC1)C1CC1
BDBM167611 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccc(Cl)c2)n1
BDBM167612 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCCC1
BDBM167613 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN1C(C)=O
BDBM167614 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(C)=O |t:21|
BDBM167615 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:21|
BDBM167616 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2c(F)cccc2F)n1
BDBM167697 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(C)C1
BDBM167698 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(C1)S(C)(=O)=O
BDBM167699 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
BDBM167700 Nc1ccc(F)c(c1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167701 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(c2)S(C)(=O)=O)ccc1Cl
BDBM167702 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccncc2)ccc1F
BDBM167779 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)[C@@H](CO)C1 |t:21|
BDBM167780 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC(C)(C)N(CC1)S(C)(=O)=O |t:21|
BDBM167781 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(C(C)(C)C1)S(C)(=O)=O |t:21|
BDBM167782 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)C(C)(C)C1 |t:21|
BDBM167783 COCCS(=O)(=O)N1CC2CC(=CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:11|
BDBM167524 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCCN(C)C1
BDBM167525 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(C)C1
BDBM167526 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(C1)C(C)=O
BDBM167527 Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167528 CN1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccccc2)ccc1Cl
BDBM167529 CN1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2)n1
BDBM167617 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN1C
BDBM167618 C[C@H](Nc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1)c1ccccc1
BDBM167619 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccc3OCOc3c2)n1
BDBM167620 Nc1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167621 C(CSc1ccccc1)Nc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167622 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C1)C(C)=O
BDBM167703 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)S(C)(=O)=O)ccc1F
BDBM167704 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)C(N)=O)ccc1F
BDBM167705 O[C@@H]1CN[C@@H](CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)C1
BDBM167706 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCCNC1
BDBM167784 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1)C#N |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,3.44,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,;4,2.31,;5.33,3.08,)|
BDBM167785 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C2CC(O)C2)CC1 |(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.61,.77,;-11.61,3.44,;-13.1,3.84,;-12.7,5.32,;-13.47,6.66,;-11.21,4.92,;-6.22,2.1,;-4.68,2.1,)|
BDBM167786 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O)C#N |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;-10.19,.77,;-10.19,2.31,;-11.73,.77,;-10.19,-.77,;4,2.31,;5.33,3.08,)|
BDBM167787 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)C)CC2C1)C#N |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-10.19,.77,;-10.96,-.56,;-10.19,-1.9,;-12.5,-.56,;-13.27,-1.9,;-13.27,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;4,2.31,;5.33,3.08,)|
BDBM167530 COc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167531 CC(C)S(=O)(=O)N1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccccc2)ccc1Cl
BDBM167532 COC(=O)N1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccccc2)ccc1Cl
BDBM167533 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167534 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167535 COc1cc(Cl)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167623 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)C1
BDBM167624 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C1)C1CCOCC1
BDBM167625 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccccn2)C1
BDBM167626 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2cccnc2)C1
BDBM167627 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2ccncc2)C1
BDBM167628 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC2CCCOC2)C1
BDBM167708 Fc1ccc(NCc2ccccc2)cc1-c1c(Cl)cnc2[nH]c(cc12)C1CCNCC1 |(-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;4,8.47,;5.33,9.24,;5.33,10.78,;6.67,11.55,;8,10.78,;8,9.24,;6.67,8.47,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,)|
BDBM167709 F[C@@H]1CN[C@H](CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)C1
BDBM167710 Clc1cnc(NCC2(CCOCC2)C#N)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167711 FC1(F)CN[C@H](CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)C1
BDBM167712 Clc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167788 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-9.3,2.1,)|
BDBM167789 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)CO |t:21|
BDBM167790 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)CC#N |t:21|
BDBM167791 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CN(CC2C1)S(C)(=O)=O |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;-10.19,.77,;-10.19,2.31,;-11.73,.77,;-10.19,-.77,)|
BDBM167536 COc1cccnc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167537 COc1ccc(N)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167538 COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167539 COc1ccc(Cl)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167540 COc1ccc(C)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167541 COc1c(Cl)cccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167629 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCNC(=O)OC(C)(C)C)C1
BDBM167630 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C1)C1CCN(C1)C(=O)OC(C)(C)C
BDBM167631 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC2CCOCC2)C1
BDBM167632 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCN2CCOCC2)C1
BDBM167633 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:21|
BDBM167713 CN(Cc1ccccc1)c1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167714 COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167715 Fc1ccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)cc1F
BDBM167716 Fc1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)c1
BDBM167717 Fc1ccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)cc1
BDBM167718 Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167792 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1)C#N |wD:29.33,t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.75,.68,;-13.21,.21,;-13.21,-1.33,;-11.75,-1.81,;-11.27,-3.27,;-12.3,-4.42,;-6.22,2.1,;-4.68,2.1,;4,2.31,;5.33,3.08,)|
BDBM167793 CNC(=O)N1C[C@@H]2CC(=C[C@@H]2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
BDBM167794 CNC(=O)N1C[C@H]2CC(=C[C@H]2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:8|
BDBM167795 CNC(=O)N1CC2CC(=CC2C1)c1cc2c(c(F)cnc2[nH]1)-c1cc(F)ccc1OC |c:8,(-12.5,-.56,;-10.96,-.56,;-10.19,.77,;-10.96,2.1,;-8.65,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;1.33,6.93,;,6.16,;,4.62,;-1.33,3.85,;-2.67,4.62,)|
BDBM167542 COc1ccc(F)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167543 COc1ccccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167544 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167545 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167546 COc1ccc(C)cc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167547 COc1ccncc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167634 COC(=O)CCCN[C@H]1CC[C@@H](CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |wU:8.7,wD:11.14,(16.52,4.19,;15.18,3.42,;13.85,4.19,;13.85,5.73,;12.52,3.42,;11.18,4.19,;9.85,3.42,;8.51,4.19,;7.18,3.42,;7.18,1.88,;5.85,1.11,;4.51,1.88,;4.51,3.42,;5.85,4.19,;3.18,1.11,;3.02,-.42,;1.51,-.74,;.74,-2.07,;-.8,-2.07,;-1.57,-.74,;-.8,.59,;.74,.59,;1.77,1.74,;1.51,-3.41,;.74,-4.74,;1.51,-6.07,;.74,-7.41,;3.05,-6.07,;3.82,-4.74,;3.05,-3.41,;3.82,-2.07,;5.36,-2.07,)|
BDBM167635 CCOC(=O)C1CC1CN[C@H]1CC[C@@H](CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |wU:10.10,wD:13.17,(-7.71,3.19,;-6.17,3.19,;-5.4,1.85,;-3.86,1.85,;-3.09,3.19,;-3.09,.52,;-3.09,-1.02,;-1.76,-.25,;-.22,-.25,;.55,-1.58,;2.09,-1.58,;2.86,-.25,;4.4,-.25,;5.17,-1.58,;4.4,-2.92,;2.86,-2.92,;6.71,-1.58,;7.62,-.34,;9.08,-.81,;10.42,-.04,;11.75,-.81,;11.75,-2.35,;10.42,-3.12,;9.08,-2.35,;7.62,-2.83,;10.42,1.5,;11.75,2.27,;11.75,3.81,;13.08,4.58,;10.42,4.58,;9.08,3.81,;9.08,2.27,;7.75,1.5,;6.42,2.27,)|
BDBM167636 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NCC(O)CO |wU:21.27,wD:18.20,(5.76,2.85,;7.09,2.08,;8.42,2.85,;8.42,4.39,;9.76,5.16,;11.09,4.39,;12.42,5.16,;11.09,2.85,;9.76,2.08,;9.76,.54,;11.09,-.23,;11.09,-1.77,;9.76,-2.54,;8.42,-1.77,;6.96,-2.25,;6.05,-1,;6.96,.24,;8.42,-.23,;4.51,-1,;3.74,.33,;2.2,.33,;1.43,-1,;2.2,-2.34,;3.74,-2.34,;-.11,-1,;-.88,-2.34,;-2.42,-2.34,;-3.19,-1,;-3.19,-3.67,;-4.73,-3.67,)|
BDBM167637 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCN)C1
BDBM167638 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C1)C1CCNC1
BDBM167719 Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167720 Fc1ccccc1CNc1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167721 Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167722 Clc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167723 Fc1cncc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)c1
BDBM167724 Fc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167796 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N(C)C)CC2C1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-10.19,.77,;-10.96,-.56,;-10.19,-1.9,;-12.5,-.56,;-13.27,-1.9,;-13.27,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,)|
BDBM167797 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |wU:24.27,27.31,t:21,(9.6,2.81,;10.93,2.04,;12.27,2.81,;12.27,4.35,;13.6,5.12,;14.93,4.35,;16.27,5.12,;14.93,2.81,;13.6,2.04,;13.6,.5,;14.93,-.27,;14.93,-1.81,;13.6,-2.58,;12.27,-1.81,;10.8,-2.29,;9.9,-1.04,;10.8,.2,;12.27,-.27,;8.36,-1.04,;7.59,-2.38,;6.05,-2.38,;5.28,-1.04,;6.05,.29,;7.59,.29,;3.74,-1.04,;2.97,.29,;1.43,.29,;.66,-1.04,;-.88,-1.04,;-1.65,-2.38,;-3.19,-2.38,;-.88,-3.71,;1.43,-2.38,;2.97,-2.38,)|
BDBM167798 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |wU:27.31,wD:24.27,t:21,(9.6,2.81,;10.93,2.04,;12.27,2.81,;12.27,4.35,;13.6,5.12,;14.93,4.35,;16.27,5.12,;14.93,2.81,;13.6,2.04,;13.6,.5,;14.93,-.27,;14.93,-1.81,;13.6,-2.58,;12.27,-1.81,;10.8,-2.29,;9.9,-1.04,;10.8,.2,;12.27,-.27,;8.36,-1.04,;7.59,-2.38,;6.05,-2.38,;5.28,-1.04,;6.05,.29,;7.59,.29,;3.74,-1.04,;2.97,.29,;1.43,.29,;.66,-1.04,;-.88,-1.04,;-1.65,-2.38,;-3.19,-2.38,;-.88,-3.71,;1.43,-2.38,;2.97,-2.38,)|
BDBM167799 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2CO)CC1)C#N |wD:29.33,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,2.1,;-8.53,3.44,;-10.84,2.1,;-11.75,3.35,;-13.21,2.87,;-13.21,1.33,;-11.75,.86,;-11.27,-.61,;-12.3,-1.75,;-6.22,2.1,;-4.68,2.1,;4,2.31,;5.33,3.08,)|
BDBM167548 Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167549 Fc1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM167550 Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167551 Clc1ccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
BDBM167552 Fc1ccc(F)c(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM167639 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1(O)CCNCC1
BDBM167640 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CCCNC(=O)OCc2ccccc2)C1
BDBM167641 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CCO)C1
BDBM167642 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CCCN)C1
BDBM167643 COCCN1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
BDBM167725 Fc1cc(NCc2ccccc2)nc(c1)-c1ccnc2[nH]c(cc12)C1CCCNC1
BDBM167726 Clc1cnc2[nH]c(cc2c1-c1ccnc(NCc2ccccc2)c1)C1CCCNC1
BDBM167727 Fc1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCCNC2)c1
BDBM167728 CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:7|
BDBM167729 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(N)(=O)=O |t:21|
BDBM167730 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(Cc2ccc(NC(C)=O)cc2)CC1 |t:21|
BDBM167800 CNS(=O)(=O)CC(=O)N1CC2CC(=CC2C1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:12|
BDBM167801 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(CC1)C(O)=O |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-11.61,.77,;-10.84,-.56,;-9.3,-.56,;-13.15,.77,;-13.92,-.56,;-13.92,2.1,)|
BDBM167802 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CC(O)C3)CC2C1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-10.19,.77,;-10.96,-.56,;-10.19,-1.9,;-12.5,-.56,;-13.59,.53,;-14.68,-.56,;-16.22,-.56,;-13.59,-1.65,;-7.74,-.48,;-6.28,,;-4.82,-.48,)|
BDBM167803 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.93,.53,;-13.02,-.56,;-14.56,-.56,;-11.93,-1.65,;-6.22,2.1,;-4.68,2.1,)|
BDBM167553 Fc1cncc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM167554 Fc1ccccc1CNc1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167555 Fc1ccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1F
BDBM167556 Clc1ccc(NCc2ccncc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167557 Clc1ccc(NCC2CCNCC2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167644 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NCCCC(O)=O |wU:21.27,wD:18.20,(7.48,2.45,;8.25,1.12,;9.79,1.12,;10.56,2.45,;12.1,2.45,;12.87,1.12,;14.41,1.12,;12.1,-.22,;10.56,-.22,;9.79,-1.55,;10.56,-2.88,;9.79,-4.22,;8.25,-4.22,;7.48,-2.88,;5.97,-2.56,;5.81,-1.03,;7.21,-.41,;8.25,-1.55,;4.47,-.26,;4.47,1.28,;3.14,2.05,;1.81,1.28,;1.81,-.26,;3.14,-1.03,;.47,2.05,;-.86,1.28,;-2.19,2.05,;-3.53,1.28,;-4.86,2.05,;-6.2,1.28,;-4.86,3.59,)|
BDBM167645 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(N)ccc1Cl
BDBM167646 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(Nc2nc(N)ccc2Cl)ccc1Cl
BDBM167647 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCOCC2)ccc1Cl
BDBM167648 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O
BDBM167731 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(=O)(=O)N(C([O-])=O)C(C)(C)C |t:21|
BDBM167732 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(O)=O |t:21|
BDBM167733 CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:7|
BDBM167734 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N |t:21|
BDBM167735 CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:7|
BDBM167804 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CC(O)C3)CC2C1 |t:21|
BDBM167805 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CCC[C@H]3CO)CC2C1 |t:21|
BDBM167806 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC(O)CC2)CC1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,.77,;-13.15,.77,;-13.92,-.56,;-15.46,-.56,;-13.15,-1.9,;-11.61,-1.9,;-6.22,2.1,;-4.68,2.1,)|
BDBM167807 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)C1CCC(CC(O)=O)CC1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-11.61,.77,;-13.15,.77,;-13.92,-.56,;-15.46,-.56,;-13.15,-1.9,;-10.84,-.56,;-9.3,-.56,)|
BDBM167558 Clc1ccc(NCC2CCCNC2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167559 Clc1ccc(nc1-c1ccnc2[nH]c(cc12)C1CCNCC1)-c1ccccc1
BDBM167560 Clc1ccc(NC(=O)c2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167561 CN(Cc1ccccc1)c1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167562 CCN(Cc1ccccc1)c1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167563 Clc1ccc(NCC2CCOCC2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167649 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CO
BDBM167650 COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCCNC1)C#N
BDBM167651 C(Cc1ccccc1)Nc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167652 CN(CCc1ccccc1)c1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167653 Clc1ccccc1CNc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167654 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2Cl)n1
BDBM167736 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:21|
BDBM167737 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)Nc1cnn(C)c1 |t:21|
BDBM167738 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)=O)CC1 |t:21|
BDBM167739 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(N)=O)CC1 |t:21|
BDBM167740 CCN(C([O-])=O)S(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:12|
BDBM167808 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(O)C2)C(C)(C)C1 |t:21|
BDBM167809 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CN(CC2C1)C(=O)C1CC(O)C1 |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-7.74,-.48,;-6.28,,;-4.82,-.48,;-10.19,.77,;-10.96,2.1,;-10.96,-.56,;-10.56,-2.05,;-12.05,-2.45,;-12.82,-3.78,;-12.45,-.96,)|
BDBM167810 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CN(CC(=O)N3CCC[C@H]3CO)CC2C1)C#N |wD:30.34,t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.82,2.02,;-6.28,1.54,;-7.74,2.02,;-8.65,.77,;-10.19,.77,;-10.96,-.56,;-10.19,-1.9,;-12.5,-.56,;-13.4,.68,;-14.87,.21,;-14.87,-1.33,;-13.4,-1.81,;-12.93,-3.27,;-13.96,-4.42,;-7.74,-.48,;-6.28,,;-4.82,-.48,;4,2.31,;5.33,3.08,)|
BDBM167811 Fc1cccc(CNc2cc(c(Cl)cn2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM167564 Clc1ccc(NCC2CCCOC2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167565 Clc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167566 Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167567 Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167568 Clc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167569 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccccc2)ccc1Cl
BDBM167655 CN(Cc1ccccc1Cl)c1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167656 O=C1CCCN1CCNc1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167657 CN(CCN1CCCC1=O)c1cccc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167658 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NCC1CC1C(O)=O |wU:21.27,wD:18.20,(5.93,3.05,;7.27,2.28,;8.6,3.05,;8.6,4.59,;9.93,5.36,;11.27,4.59,;12.6,5.36,;11.27,3.05,;9.93,2.28,;9.93,.74,;11.27,-.03,;11.27,-1.57,;9.93,-2.34,;8.6,-1.57,;7.14,-2.05,;6.23,-.8,;7.14,.44,;8.6,-.03,;4.69,-.8,;3.92,.53,;2.38,.53,;1.61,-.8,;2.38,-2.14,;3.92,-2.14,;.07,-.8,;-.7,-2.14,;-2.24,-2.14,;-3.57,-2.91,;-3.57,-1.37,;-4.34,-.03,;-5.88,-.03,;-3.57,1.3,)|
BDBM167659 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CNC1
BDBM167741 CNC(=O)N1CCC(=CC1)c1cc2c(c(Cl)cnc2[nH]1)-c1cc(F)ccc1OC |c:7,(-10.84,-.56,;-9.3,-.56,;-8.53,.77,;-9.3,2.1,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;1.33,6.93,;,6.16,;,4.62,;-1.33,3.85,;-2.67,4.62,)|
BDBM167742 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1 |t:22,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,-1.9,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,)|
BDBM167743 CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)c(F)cc1OC |c:7|
BDBM167744 CN(C)C(=O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)c1F |c:9|
BDBM167745 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM167812 NC1CCCC(C1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccc(F)c2)n1
BDBM167813 Fc1cccc(n1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:19|
BDBM167814 CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(F)n1 |c:7|
BDBM167815 CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2c(F)cccc2F)n1 |c:7|
BDBM167816 CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2Cl)n1 |c:7|
BDBM167570 C[C@H](Nc1ccc(Cl)c(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)c1ccccc1
BDBM167571 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2)n1
BDBM167572 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(F)c2)ccc1Cl
BDBM167573 Clc1ccc(OCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167574 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCNC1
BDBM167575 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNC1
BDBM167660 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(=O)CN1CCC(O)CC1
BDBM167661 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)S(C)(=O)=O
BDBM167662 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(O)CO)CC1
BDBM167663 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCc2ccccc2)n1
BDBM167664 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCN2CCCC2=O)n1
BDBM167665 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CC2)ccc1Cl
BDBM167746 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CCN(CC(=O)N(C)C)CC1)C#N |t:21,(-2.67,4.62,;-1.33,3.85,;,4.62,;,6.16,;1.33,6.93,;2.67,6.16,;4,6.93,;2.67,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-6.99,.77,;-8.53,.77,;-9.3,-.56,;-8.53,-1.9,;-10.84,-.56,;-11.61,-1.9,;-11.61,.77,;-6.22,2.1,;-4.68,2.1,;4,2.31,;5.33,3.08,)|
BDBM167747 CCN(C([O-])=O)S(=O)(=O)N1CCC(=CC1)c1cc2c(c(F)cnc2[nH]1)-c1cc(F)ccc1OC |c:12,(-10.07,3.44,;-10.84,2.1,;-10.07,.77,;-10.84,-.56,;-10.07,-1.9,;-12.38,-.56,;-8.53,.77,;-8.53,-.77,;-8.53,2.31,;-6.99,.77,;-6.22,2.1,;-4.68,2.1,;-3.91,.77,;-4.68,-.56,;-6.22,-.56,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;1.33,6.93,;,6.16,;,4.62,;-1.33,3.85,;-2.67,4.62,)|
BDBM167748 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(O)C2)CC1 |t:21|
BDBM167749 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2CO)CC1 |t:21|
BDBM167750 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)[C@H]1C[C@@H](O)CN1 |t:21|
BDBM167817 CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCC2CC2)n1 |c:7|
BDBM167818 CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1
BDBM167819 C(Nc1cncc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)c1ccccc1
BDBM167576 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@H]1CCNC1
BDBM167577 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCNC1
BDBM167578 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C)C1
BDBM167579 Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CCNC1
BDBM167580 Clc1ccc(NCC2CCOCC2)nc1-c1ccnc2[nH]c(cc12)C1CCNC1
BDBM167581 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CNCCO1
BDBM167666 CN(C)CCOc1ccc(CNc2cccc(n2)-c2ccnc3[nH]c(cc23)C2CCN(C)CC2)cc1
BDBM167667 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCC2CCOC(C)(C)C2)ccc1Cl
BDBM167668 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccncc2)ccc1Cl
BDBM167669 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cc[nH]n2)n1
BDBM167670 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccc3CNCc3c2)n1
BDBM167751 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(C)C)C(O)=O |t:21|
BDBM167752 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCC[C@H]1C(O)=O |t:21|
BDBM167753 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)NC#N |t:21|
BDBM167754 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1 |t:21|
BDBM167755 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(N)=O)CC1
BDBM167582 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CNCCO1
BDBM167583 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CN(C)CCO1
BDBM167584 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CN(C)CCO1
BDBM167585 Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(cc12)C1CNCCO1
BDBM167586 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CNC(C)(C)CO1
BDBM167587 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CNC(C)(C)CO1
BDBM167671 CN1CCC(CNc2cccc(n2)-c2ccnc3[nH]c(cc23)C2CCN(C)CC2)C1
BDBM167672 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccc3cc[nH]c3c2)n1
BDBM167673 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccc(cc2)S(C)(=O)=O)ccc1Cl
BDBM167674 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccc(cc2)S(N)(=O)=O)ccc1Cl
BDBM167675 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2ccc(cc2)C(N)=O)ccc1Cl
BDBM167756 CNC(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
BDBM167757 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCC[C@H]2CO)CC1
BDBM167758 COc1ccc(F)cc1-c1ccnc2[nH]c(c(C#N)c12)C1=CCN(CC1)S(C)(=O)=O |t:23|
BDBM167759 CNC(=O)N1CCC(=CC1)c1[nH]c2nccc(-c3cc(F)ccc3OC)c2c1C#N |c:7|
BDBM167760 CCN(C([O-])=O)S(=O)(=O)NC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:13|
BDBM60454 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCCc2ccccc2)n1
BDBM167820 C(Nc1cncc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)C1CCOCC1
BDBM167821 Fc1cc(F)cc(CNc2cncc(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM167822 Fc1cccc(CNc2cncc(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM167823 C(Nc1cncc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)c1cccnc1
BDBM167824 C(Nc1cncc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)c1ccncc1
BDBM167825 Fc1ccc(CNc2cncc(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1F
BDBM167826 OCC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cc(F)cc(F)c2)n1
BDBM167827 OCC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1
BDBM167828 OCC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1
BDBM167829 CN(Cc1ccccc1)c1cncc(n1)-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
BDBM167830 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1
BDBM167831 CC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1
BDBM167832 OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1
BDBM167833 CCN(C([O-])=O)S(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1
BDBM167834 Fc1ccc(Cl)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM167835 Fc1cccc(COc2cncc(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM167836 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1
BDBM167837 CC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1
BDBM167838 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
BDBM167839 C(Nc1cncc(n1)-c1ccnc2[nH]c(cc12)C1=CCNCC1)c1ccccc1 |t:20|
BDBM167840 OCC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
BDBM167841 OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
BDBM167842 CCOC(=O)NS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1
BDBM167843 CNC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1
BDBM167844 CNC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1
BDBM167845 CS(=O)(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
BDBM167846 CC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
BDBM167847 CNC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
BDBM167848 Fc1cccc(CNc2cncc(n2)-c2ccnc3[nH]c(cc23)C2=CCNCC2)c1 |t:26|
BDBM167849 OCC(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1 |c:8|
BDBM167850 Fc1cccc(COc2cncc(n2)-c2ccnc3[nH]c(cc23)C2=CCNCC2)c1 |t:26|
BDBM164883 COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
BDBM167851 CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1 |c:7|
BDBM167852 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccnc2)n1
BDBM167853 OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccnc2)n1
BDBM167854 OCC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccnc2)n1
BDBM167855 CNC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccnc2)n1
BDBM164884 COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
BDBM167856 OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1 |c:7|
BDBM167857 CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1 |c:7|
BDBM167858 Fc1cccc(CNc2nc(c(F)cc2F)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
BDBM167859 CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1 |c:7|
BDBM167860 OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1 |c:7|
BDBM167861 CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(F)c2)c(F)cc1F |c:7|
BDBM167862 CNC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(F)c2)c(F)cc1F
BDBM167863 OCC(=O)N1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(F)c2)c(F)cc1F
BDBM167864 OC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1 |c:6|
BDBM167865 CNC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1 |c:7|
BDBM167866 OC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1 |c:6|
BDBM167867 OC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1 |c:6|
BDBM167868 CNC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1 |c:7|
BDBM167869 NC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1 |c:6|
BDBM167870 NC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2cccc(F)c2)n1 |c:6|
BDBM167871 NC(=O)C1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1 |c:6|
BDBM167872 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)OC(C)(C)C)CC1 |t:21|
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM180841 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)C(F)(F)C(F)(F)F)ncc1F
BDBM180842 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)C(F)(F)F)ncc1F
BDBM180843 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
BDBM180844 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=N)(=O)C3CC3)c2)ncc1F
BDBM180845 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
BDBM180838 CCS(=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180816 CCS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180796 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180798 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
BDBM180800 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCCOc23)c1
BDBM180801 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCCOc23)c1
BDBM180802 CS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1)=NC#N
BDBM180803 CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180804 CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180812 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180799 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
BDBM180797 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=N)=O)c2)ncc1F
BDBM180815 CCS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
BDBM180849 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCOc23)c1
BDBM180850 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1
BDBM180851 COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180852 COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=N)=O)c2)ncc1F
BDBM180853 COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180855 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)S(F)(F)(F)(F)F)ncc1F
BDBM180819 COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180846 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=N)(=O)C3CC3)c2)ncc1F
BDBM180805 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F
BDBM180823 COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180859 COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180820 COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)ncc1F
BDBM180827 COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180824 COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
BDBM180856 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
BDBM180831 CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180828 COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180835 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)C(F)(F)F)ncc1F
BDBM180836 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
BDBM180837 CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
BDBM180832 CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F
BDBM50102675 COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102676 COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
BDBM50102677 COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
BDBM50102678 CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
BDBM50097854 COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
BDBM50097855 COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
BDBM50097856 COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
BDBM50097860 OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(Cl)cccc3c12
BDBM50097861 OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12
BDBM50097862 COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
BDBM50097863 COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
BDBM50097864 COc1ccc(cc1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
BDBM50097865 OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12
BDBM50097867 OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
BDBM50097868 OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
BDBM50097869 OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
BDBM50097870 COc1ccc2c3[nH]c4c(F)cccc4c3c(nc2c1)C(O)=O
BDBM50097872 COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
BDBM50102661 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
BDBM50102662 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
BDBM50102663 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
BDBM50102664 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O
BDBM50102665 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
BDBM50102667 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
BDBM50102668 COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102669 Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102670 COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102671 COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
BDBM50102672 COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102674 O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
BDBM50113281 Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
BDBM50097859 OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12
BDBM50097866 OC(=O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12
BDBM50139171 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
BDBM50110183 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
BDBM50102673 COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102666 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
BDBM253941 CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
BDBM50184466 CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
BDBM50154932 CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
BDBM50184461 C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
BDBM50193086 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM50193097 CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:19.20,wD:22.27,(35.27,-22.33,;36.78,-22.65,;37.26,-24.11,;37.81,-21.5,;39.33,-21.66,;40.11,-23,;39.96,-20.26,;38.81,-19.23,;38.82,-17.69,;37.48,-16.91,;36.15,-17.69,;36.15,-19.23,;37.48,-20,;34.82,-16.92,;34.82,-15.37,;33.48,-14.61,;32.15,-15.38,;32.15,-16.92,;30.81,-17.69,;30.81,-19.23,;32.15,-19.99,;32.14,-21.54,;30.8,-22.3,;29.47,-21.52,;29.48,-19.99,;30.79,-23.84,;29.46,-24.61,;28.13,-23.83,;26.8,-24.58,;26.78,-26.12,;28.11,-26.9,;29.46,-26.14,;33.48,-17.69,)|
BDBM50193090 COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1
BDBM50193093 COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50193104 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
BDBM168383 COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
BDBM187120 COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
BDBM307973 Clc1cnc(NC(=O)C2C3CNCC23)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307806 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCCN3)ncc2Cl)c1
BDBM307796 N[C@H]1CC[C@H](CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CC1 |r,wU:4.4,wD:1.0,(10.26,15.16,;10.26,13.62,;8.92,12.85,;8.92,11.31,;10.26,10.54,;10.26,9,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,;11.59,11.31,;11.59,12.85,)|
BDBM307797 CNCCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307798 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCNCc3ccccc3)ncc2Cl)c1
BDBM307799 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCNCC3)ncc2Cl)c1
BDBM307800 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCCNC3)ncc2Cl)c1
BDBM307801 NC(CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)c1ccccc1
BDBM307802 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CCCNC3)ncc2Cl)c1
BDBM307803 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC[C@H]3CCN3)ncc2Cl)c1
BDBM307804 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCN3)ncc2Cl)c1
BDBM307805 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@@H]3CCC[C@H]4CCNC[C@@H]34)ncc2Cl)c1
BDBM307807 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(ncc2Cl)N2CCOCC3(CNCCO3)C2)c1
BDBM307698 Fc1cccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307700 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2CCNc2c1
BDBM307701 Cn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307706 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2CCN(CC3CCOCC3)c2c1
BDBM307709 Fc1cccc(Cn2cnc3cc(ccc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307710 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307711 Fc1cccc(Cn2ccc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307712 N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:1.0,wD:4.7,(14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
BDBM307713 N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2CCN(Cc3cccc(F)c3)c2c1 |r,wU:1.0,wD:4.7,(14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
BDBM307714 O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2CCN(Cc3cccc(F)c3)c2c1 |r,wU:1.0,wD:4.7,(14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
BDBM307715 O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:1.0,wD:4.7,(14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
BDBM307716 Cn1cnc2ccc(cc12)-c1cc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:17.19,wD:14.15,(1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;14.26,11.31,;11.59,11.31,;10.26,10.54,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,)|
BDBM307717 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307718 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CCN3CCOCC3)c2c1
BDBM307719 CC(C)(O)CCn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307720 Fc1ccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
BDBM307721 Fc1ccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1F
BDBM307722 Fc1cccc(CCn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307723 NS(=O)(=O)CCn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307724 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CC3CCS(=O)(=O)C3)c2c1
BDBM307725 Fc1ccccc1Cn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307726 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(Cc3cccnc3)c2c1
BDBM307727 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CC3CCS(=O)(=O)CC3)c2c1
BDBM307728 Cc1nnc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)[nH]1
BDBM307729 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2n(Cc3cscn3)cnc2c1
BDBM307730 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CCCC3)ncc2Cl)c1
BDBM307731 CNC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:5.4,wD:8.11,(18.26,10.54,;16.93,11.31,;15.59,10.54,;15.59,9,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,)|
BDBM307732 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:5.4,wD:8.11,(14.82,9.21,;15.59,10.54,;16.93,9.77,;16.36,11.88,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
BDBM307733 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2c(c1)N(Cc1ccccc1)CC2(Cc1ccccc1)C#N
BDBM307734 CN(CCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)c1ccccn1
BDBM307735 CN(C)CC(O)CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307736 Cc1nnc(CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)[nH]1
BDBM307737 Fc1cccc(Cn2ccc3ncc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307738 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCNc3cccnc3)ncc2Cl)c1
BDBM307739 Nc1nnc(CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)[nH]1
BDBM307740 CN(CCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)Cc1ccccc1
BDBM307741 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCc3ncccn3)ncc2Cl)c1
BDBM307742 CC(Cc1ccncc1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307743 Cn1cc(cn1)N1CCCC(C1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307744 Nc1ncc(CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)cn1
BDBM307745 CCN1CCC(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CC1
BDBM307746 Cc1nnc(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)[nH]1
BDBM307747 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCNc3ccncc3)ncc2Cl)c1
BDBM307748 CN1CCC(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CC1
BDBM307749 CC(CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)c1ccncc1
BDBM307750 CN(C)C(C)(C)CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307751 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCCNc3ccccc3)ncc2Cl)c1
BDBM307752 CC(CCN)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307753 Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307754 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCc3c[nH]cn3)ncc2Cl)c1
BDBM307755 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCc3cnccn3)ncc2Cl)c1
BDBM307756 CC(Cc1cnccn1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307757 CN1CCC(C1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307758 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCc3cccnc3)ncc2Cl)c1
BDBM307759 CN(C)CCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307760 CN1CCC(CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CC1
BDBM307761 CN(CCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)Cc1ccccc1
BDBM307762 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCc3ccccn3)ncc2Cl)c1
BDBM307763 CC(C)(O)CCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307764 CN(CCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)c1ccccc1
BDBM307765 CN1CCC(CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307766 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCc3ccncc3)ncc2Cl)c1
BDBM307767 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCc3cncnc3)ncc2Cl)c1
BDBM307768 CC(C)(CN)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307769 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCCCC3)ncc2Cl)c1
BDBM307770 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCNc3ccccc3)ncc2Cl)c1
BDBM307771 CN(C)CC(C)(C)CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307772 OCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307773 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCc3ccccc3)ncc2Cl)c1
BDBM307774 CN(C)CCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307775 OCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307776 NCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307777 Oc1ccc(CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)cc1
BDBM307778 NCCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307779 Nc1ccc(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)cc1
BDBM307780 CC(C)(CN)CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307781 NCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307782 NCc1ccc(CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)cc1
BDBM307783 CC(C)(O)CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307784 NCC(O)CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307785 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCNc3ccccn3)ncc2Cl)c1
BDBM307786 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CN4CCC3CC4)ncc2Cl)c1 |wU:20.21,TLB:19:20:23.24:26.27,(9.28,-1.32,;7.78,-1,;6.75,-2.14,;5.24,-1.82,;4.76,-.36,;5.79,.79,;5.32,2.25,;3.81,2.57,;3.19,3.98,;1.65,3.82,;1.33,2.31,;,1.54,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;5.29,-7.59,;3.92,-8.28,;2.56,-6.87,;1.39,-6.52,;2.66,-7.62,;2.24,-9.2,;3.46,-9.93,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;7.3,.47,)|
BDBM307787 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@@H]3CN4CCC3CC4)ncc2Cl)c1 |wD:20.21,TLB:19:20:23.24:26.27,(9.28,-1.32,;7.78,-1,;6.75,-2.14,;5.24,-1.82,;4.76,-.36,;5.79,.79,;5.32,2.25,;3.81,2.57,;3.19,3.98,;1.65,3.82,;1.33,2.31,;,1.54,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;5.29,-7.59,;3.92,-8.28,;2.56,-6.87,;1.39,-6.52,;2.66,-7.62,;2.24,-9.2,;3.46,-9.93,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;7.3,.47,)|
BDBM307788 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CCCC4CN(Cc5ccccc5)CC34)ncc2Cl)c1
BDBM307789 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CCC4CN(Cc5ccccc5)CC34)ncc2Cl)c1
BDBM307790 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4CCCC(C3)N4CC3CC3)ncc2Cl)c1 |TLB:19:20:23.24.25:28|
BDBM307791 Fc1ccc(cc1)C1(CCN(CC1)C(=O)OCc1ccccc1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307792 CC(C)(C)OC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307793 Cc1nnc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)s1
BDBM307794 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CCc3cccnc3)c2c1
BDBM307795 CNCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307879 CN1CCC(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)CC1
BDBM307878 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(CC3CCCN3)c2c1
BDBM307899 CC(C)(C)C(=O)N1CCOc2nc(ccc12)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307900 CS(=O)(=O)N1CC2(C1)C(CCS2(=O)=O)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307901 CCNC(=O)N1CC2(C1)C(CCS2(=O)=O)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307902 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CCS(=O)(=O)C33CN(C3)C(=O)Nc3ccccc3)ncc2Cl)c1
BDBM307903 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CCS(=O)(=O)C33CCN(C3)C(=O)C3CCCCC3)ncc2Cl)c1
BDBM307904 CC(C)C(=O)N1CCC2(C1)C(CCS2(=O)=O)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307809 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCNCC4)ncc2Cl)c1
BDBM307810 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CCC33CCNCC3)ncc2Cl)c1
BDBM307811 F[C@@H]1CN[C@@H](CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)C1
BDBM307812 FC1CNCC1CNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307905 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CCS(=O)(=O)C33CCN(C3)S(=O)(=O)c3ccccc3)ncc2Cl)c1
BDBM307906 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CCS(=O)(=O)C33CCN(C3)C(=O)c3ccccc3)ncc2Cl)c1
BDBM308008 Fc1cncc(Cn2ccc3ncc(cc23)-c2cc(NC(=O)C3CC(=O)C3)ncc2Cl)c1
BDBM308009 Cn1nnc2ccc(Cn3ccc4ncc(cc34)-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)cc12
BDBM308010 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1cnc2ccn(CC(=O)C3CCOCC3)c2c1
BDBM308011 OC(Cn1ccc2ncc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl)C1CCOCC1
BDBM308013 C[C@H](c1cccc(F)c1)n1nnc2cc(F)c(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM308014 COC(=O)c1ccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
BDBM308015 COC(=O)c1ccc(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
BDBM308016 Fc1cccc(CCCn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM308017 Fc1cccc(CCCn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM308018 OC(=O)c1ccc(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
BDBM307816 CS(=O)(=O)CCn1nnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307814 Fc1cccc(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307815 CS(=O)(=O)CCn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307835 NC(=O)[C@@H]1CCCN(C1)c1cc(Cc2cncc(F)c2)c(Cl)cn1 |r|
BDBM307836 NC(=O)[C@@H]1CCCN(C1)c1cc(CC2(CCOCC2)C#N)c(Cl)cn1 |r|
BDBM307838 Fc1cccc(Cn2ccc3ccc(nc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM308019 Nc1cc(c(Cl)cn1)-c1ccc2nnn(Cc3ccc(cc3)C(O)=O)c2c1
BDBM308020 O=C(Nc1cc(ccn1)-c1ccc2ncn(CC3CCOCC3)c2c1)[C@@H]1CCCNC1
BDBM308021 Fc1cncc(Cn2ccc3ncc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM308022 CC(c1cccnc1)n1nnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM308023 COc1cc2ncn(Cc3cccc(F)c3)c2cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM308024 OC(=O)c1ccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
BDBM308025 COc1cc2nnn(Cc3cccc(F)c3)c2cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307819 Fc1cccc(CCn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307817 Fc1ccc(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
BDBM307818 Fc1ccc(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1F
BDBM307841 OCCN(CCO)CCn1nnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307839 Fc1cccc(Cn2cnc3cc(F)c(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307840 Fc1cccc(Cn2ncc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307842 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2CC(=O)Nc2c1
BDBM308026 Clc1cnc(NC(=O)[C@@H]2C[C@H]3CN[C@@H]2C3)cc1-c1ccc2ncn(CC3CCOCC3)c2c1 |TLB:6:8:11.12:14|
BDBM308027 Clc1cnc(NC(=O)[C@H]2C[C@H]3CN[C@@H]2C3)cc1-c1ccc2ncn(CC3CCOCC3)c2c1 |TLB:6:8:11.12:14|
BDBM308028 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(Cc3cccs3)c2c1
BDBM308029 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2nnn(Cc3cccs3)c2c1
BDBM308030 CN(C)C(Cn1nnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl)c1cccc(F)c1
BDBM308031 CN1CCN(Cc2cccc(Cn3nnc4ccc(cc34)-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)c2)CC1
BDBM308032 CS(=O)(=O)Cc1cccc(Nc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)c1
BDBM307821 Cc1ccc(cc1)C1(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CCNCC1
BDBM307820 NS(=O)(=O)CCn1nnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307844 CN(C)CCCn1nnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307845 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2nnn(CCN3CCOCC3)c2c1
BDBM307843 CN(C)CCCn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM308033 Fc1cc(cc2n(CC3CCOCC3)cnc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM308034 CCOC(=O)NS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308035 COC(=O)[C@H]1CCC[C@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308036 OC(=O)[C@H]1CCC[C@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308037 OC1CN(C1)C(=O)[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308038 CN(CCO)C(=O)[C@H]1CCC[C@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307847 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CC3CCOCC3)c2n1
BDBM307848 C[C@H](c1cccc(F)c1)n1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307846 Cc1nc2ccc(cc2n1Cc1cccc(F)c1)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM308039 OC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308040 Cn1cnc2ccc(cc12)-c1ccnc(NC(=O)[C@@H]2CCCNC2)c1
BDBM308041 CC(C)(C)OC(=O)N1C[C@@H]2CC(C[C@@H]2C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308042 CNC(=O)N1C[C@@H]2CC(C[C@@H]2C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308043 OC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:6.9,3.2,(14.26,12.85,;14.26,11.31,;15.59,10.54,;12.93,10.54,;11.59,11.31,;10.26,10.54,;10.26,9,;11.59,8.23,;12.93,9,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
BDBM307822 COc1ccc(cc1)C1(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CCNCC1
BDBM307823 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCC3(F)CCNCC3)ncc2Cl)c1
BDBM307824 COc1ccc(cc1)C1(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CCNC1
BDBM307825 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CCC33CCNC3)ncc2Cl)c1
BDBM307826 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@]33CCCNC3)ncc2Cl)c1
BDBM307849 C[C@H](c1cccc(F)c1)n1nnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307850 Fc1cccc(Cn2c3cc(ccc3[nH]c2=O)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307851 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1cc2n(CC3CCOCC3)cnc2cc1Cl
BDBM307852 Cc1cnc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cn1
BDBM307865 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3nc4ccccc4[nH]3)c2c1
BDBM307829 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CCCCNC3)ncc2Cl)c1
BDBM307827 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CCS(=O)(=O)C33CNC3)ncc2Cl)c1
BDBM307828 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4CCCC(C3)N4)ncc2Cl)c1 |TLB:19:20:23.24.25:28|
BDBM307830 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@@H]3CCCCNC3)ncc2Cl)c1
BDBM307831 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@@H]3CC[C@@]33CCCNC3)ncc2Cl)c1
BDBM307832 NCC1CCCC(CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)C1
BDBM307853 CS(=O)(=O)Nc1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cc1
BDBM307854 CS(=O)(=O)c1cc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)ccc1F
BDBM307855 Cc1ncc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cn1
BDBM307856 CS(=O)(=O)c1cccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)c1
BDBM307857 Cc1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cn1
BDBM307858 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(CC3CCNC3)c2c1
BDBM307859 OC(=O)c1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cc1
BDBM307860 CS(=O)(=O)c1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cc1
BDBM307861 COC(=O)c1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cc1
BDBM307862 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3cncnc3)c2c1
BDBM307863 FC(F)(F)c1cccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)n1
BDBM307864 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3ccc4ncccc4c3)c2c1
BDBM307833 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)CC3CCNCC3)ncc2Cl)c1
BDBM307868 Cn1nnc2cc(CN3CCc4ccc(cc34)-c3cc(NC(=O)C4CCCNC4)ncc3Cl)ccc12
BDBM307866 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3cccc4OCCOc34)c2c1
BDBM307867 Cn1c(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)nc2ccccc12
BDBM307870 Cc1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cc1
BDBM307871 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3ccc4nccnc4c3)c2c1
BDBM307869 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3cccc4OCOc34)c2c1
BDBM307834 NS(=O)(=O)c1ccc(Nc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)cc1
BDBM307880 Fc1cccc(Cn2cnc3ncc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)c1
BDBM307881 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CC3(COC3)N3CCOCC3)c2c1
BDBM307882 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CC3(COC3)N3CCCC3)c2c1
BDBM307883 Clc1cnc(NC2CC3(C2)CCNCC3)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307884 CS(=O)(=O)N1CCC2(CC(C2)Nc2cc(c(Cl)cn2)-c2ccc3ncn(CC4CCOCC4)c3c2)CC1
BDBM307885 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)\C=C\c3ccncc3)ncc2Cl)c1
BDBM307886 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CC[C@@H]3C(=O)NC3CCCC3)ncc2Cl)c1
BDBM307872 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3cnccn3)c2c1
BDBM307873 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3cnc4OCCOc4c3)c2c1
BDBM307874 CS(=O)(=O)c1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cn1
BDBM307875 NS(=O)(=O)c1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cc1
BDBM307876 CS(=O)(=O)c1ccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)cc1F
BDBM307887 CC(C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)n1ccccc1=O
BDBM307888 CS(=O)(=O)CC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307889 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CN(C(=O)C3)c3cccc(Cl)c3)ncc2Cl)c1
BDBM307890 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CN(Cc4ccccc4)C(=O)C3)ncc2Cl)c1
BDBM307891 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)c3cnc4OCCOc4c3)ncc2Cl)c1
BDBM307892 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)c3ccn4[C@H](SCc34)c3cccnc3)ncc2Cl)c1
BDBM307877 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(Cc3ccc(cc3)-c3nn[nH]n3)c2c1
BDBM307893 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CC(=O)C3)ncc2Cl)c1
BDBM307894 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CC4(C3)CC(=O)C4)ncc2Cl)c1
BDBM307896 CN1CC(C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307897 CC1(COC1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307898 OC1(CCC(CC1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)C(F)(F)F |(17.74,.77,;16.93,2.07,;16.93,3.61,;15.59,4.38,;14.26,3.61,;14.26,2.07,;15.59,1.3,;12.93,4.38,;12.93,5.92,;11.59,3.61,;10.26,4.38,;8.92,3.61,;7.59,4.38,;7.59,5.92,;6.26,6.69,;8.92,6.69,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.89,4.73,;-2.39,5.05,;-2.87,6.51,;-1.84,7.66,;-2.31,9.12,;-.33,7.34,;3.59,3.61,;4.92,4.38,;18.47,2.02,;20.01,1.97,;18.52,3.56,;18.41,.48,)|
BDBM307960 Clc1cnc(NC(=O)c2cccnc2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307961 Cn1cnc(c1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307962 Clc1cnc(NC(=O)c2c[nH]cn2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307963 Clc1cnc(NC(=O)c2cscn2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307964 Clc1cnc(NC(=O)c2nc[nH]n2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307965 Clc1cnc(NC(=O)c2cncnc2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307966 Clc1cnc(NC(=O)c2cnccn2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307967 Clc1cnc(NC(=O)c2cc[nH]n2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307968 Clc1cnc(NC(=O)c2c[nH]nn2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307969 Clc1cnc(NC(=O)C2CNC2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307970 Clc1cnc(NC(=O)c2cn[nH]c2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307971 Clc1cnc(NC(=O)C2C[C@@H]3CNC[C@@H]3C2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307972 Clc1cnc(NC(=O)C2CC3(CNC3)C2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307974 Clc1cnc(NC(=O)C2CC(=O)C2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307975 Cn1c(nc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl)-c1cccc(F)c1
BDBM307976 Cn1c(Cc2cccc(F)c2)nc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307977 Clc1cnc(NC(=O)C2=CCCNC2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1 |t:8|
BDBM307978 CC(C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)S(=O)(=O)C1CCOCC1
BDBM307979 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CCc4nncn4C3)ncc2Cl)c1
BDBM307980 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CCc4nccn4C3)ncc2Cl)c1
BDBM307981 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)c3cnc4OCCCc4c3)ncc2Cl)c1
BDBM307982 NS(=O)(=O)CC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307983 CN1CCN(CC1)S(=O)(=O)CC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307984 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@H]3CCC(=O)N3)ncc2Cl)c1
BDBM307985 CN(C)S(=O)(=O)NCC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307986 CC(C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1)S(=O)(=O)C1CCOCC1
BDBM307987 Clc1cnc(NC(=O)C2CCc3nncn3C2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307988 Clc1cnc(NC(=O)C2CCc3nccn3C2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307989 Clc1cnc(NC(=O)c2cnc3OCCCc3c2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307990 NS(=O)(=O)CC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307991 CCS(=O)(=O)NCC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307992 Clc1cnc(NC(=O)[C@H]2CCC(=O)N2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307907 CCN1CCC2(C1)C(CCS2(=O)=O)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307908 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CC4NC(=O)OC4C3)ncc2Cl)c1
BDBM307909 CS(=O)(=O)N1CCC2(C1)C(CCS2(=O)=O)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307993 CN(C)S(=O)(=O)NCC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307994 CN1CCN(CC1)S(=O)(=O)CC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307995 CS(=O)(=O)c1ccc(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
BDBM307996 N[C@H]1C[C@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1 |r,wU:1.0,3.5,(10.26,14.26,;10.26,12.72,;11.35,11.63,;10.26,10.54,;9.17,11.63,;10.26,9,;11.59,8.23,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;3.59,3.61,;4.92,4.38,)|
BDBM307997 N[C@H]1C[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1 |r,wU:3.5,wD:1.0,(10.26,14.26,;10.26,12.72,;9.17,11.63,;10.26,10.54,;11.35,11.63,;10.26,9,;11.59,8.23,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;3.59,3.61,;4.92,4.38,)|
BDBM307910 NC(=O)NC(=O)\C=C\C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307911 NC(=O)C1(CC1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307912 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)c3cn[nH]c3)ncc2Cl)c1
BDBM307913 N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1 |r,wU:1.0,wD:4.7,(14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;3.59,3.61,;4.92,4.38,)|
BDBM307914 Clc1cnc(NC(=O)C2CCNCC2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307915 Clc1cnc(NC(=O)C2CC3NC(=O)OC3C2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307999 Clc1cnc(NC(=O)[C@H]2CCN2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308000 NC1CC2(C1)CC(C2)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1 |(10.26,16.44,;10.26,14.9,;11.35,13.81,;10.26,12.72,;9.17,13.81,;11.35,11.63,;10.26,10.54,;9.17,11.63,;10.26,9,;11.59,8.23,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;2.2,8.16,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;3.59,3.61,;4.92,4.38,)|
BDBM308001 Clc1cnc(NC(=O)C(N2CCNCC2)c2ccco2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308002 NC1(CCCC1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308003 Clc1cnc(NC(=O)C2CCS(=O)(=O)C22CNC2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308004 CC[C@@H]1CN[C@@H]1C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307916 CC(C)(C)OC(=O)N1CCC2(CC(C2)Nc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)C1 |(17.22,16.33,;16.6,14.92,;15.19,15.54,;18,14.29,;15.97,13.51,;14.44,13.35,;13.53,14.6,;13.81,11.94,;14.58,10.61,;13.55,9.47,;12.14,10.09,;10.66,10.49,;10.26,9,;11.75,8.6,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,;12.31,11.62,)|
BDBM307920 Clc1cnc(NC(=O)[C@H]2CCCNC2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308005 Fc1ccc(cc1)C1(CCNCC1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308006 Clc1cnc(NC(=O)C2CCS(=O)(=O)C22CCNC2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM308007 Fc1cccc(c1)C(=O)Cn1ccc2ncc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307921 Fc1cccc(c1)C(=O)c1c[nH]c2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307922 Fc1cccc(Cn2cnc3ncc(nc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307923 CN(C)C(=O)CN1CCc2ccc(cc12)-c1cc(NC(=O)C2CCCNC2)ncc1Cl
BDBM307924 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(CC(=O)N3CCOCC3)c2c1
BDBM307925 Clc1cnc(NC(=O)C2CCCNC2)cc1-c1ccc2CCN(CC(=O)N3CCCC3)c2c1
BDBM307926 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1cnc2c(cn(CC3CCOCC3)c2c1)C#N
BDBM307927 OCCNc1cc(c(Cl)cn1)-c1ccc2ncn(CC3(CCOCC3)C#N)c2c1
BDBM307928 OCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cncc(F)c3)c2c1
BDBM307929 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCc3ccccn3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.26,10.54,;19.59,11.31,;19.59,12.85,;18.26,13.62,;16.93,12.85,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM307930 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCc3cccnc3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.26,10.54,;19.59,11.31,;19.59,12.85,;18.26,13.62,;16.93,12.85,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM307931 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCc3ccncc3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;16.93,12.85,;18.26,13.62,;19.59,12.85,;19.59,11.31,;18.26,10.54,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM307932 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCc3ccc4OCOc4c3)ncc2Cl)c1 |r,wU:20.21,wD:23.28,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;14.26,11.31,;14.26,12.85,;15.59,13.62,;16.93,12.85,;18.26,13.62,;18.26,15.16,;19.41,16.19,;18.78,17.6,;17.25,17.44,;16.93,15.93,;15.59,15.16,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM307933 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCc3nccs3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.33,10.69,;19.36,11.83,;18.59,13.16,;17.09,12.84,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM307934 COCN1NNC(CN[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)=C1 |r,wU:9.8,wD:12.15,c:44,(23.33,12.75,;21.8,12.92,;20.9,11.67,;19.36,11.83,;18.59,13.16,;17.09,12.84,;16.93,11.31,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,;18.33,10.69,)|
BDBM307935 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCCN3CCOCC3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(-3.42,3.9,;-2.39,5.05,;-2.87,6.51,;-1.84,7.66,;-.33,7.34,;.14,5.87,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.26,10.54,;19.59,11.31,;20.93,10.54,;20.93,9,;19.59,8.23,;18.26,9,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;-.89,4.73,)|
BDBM307936 CC(C)(CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)N1CCOCC1 |r,wU:5.4,wD:8.11,(17.7,9.98,;16.93,11.31,;16.16,12.65,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,;18.26,12.08,;18.26,13.62,;19.59,14.39,;20.93,13.62,;20.93,12.08,;19.59,11.31,)|
BDBM307937 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCC3CCCO3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.33,10.69,;19.36,11.83,;18.59,13.16,;17.09,12.84,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM307938 COC1CC(CN[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)C(OC)O1 |r,wU:7.6,wD:10.13,(21.8,12.92,;20.9,11.67,;19.36,11.83,;18.33,10.69,;16.93,11.31,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,;17.09,12.84,;15.94,13.87,;16.26,15.38,;18.59,13.16,)|
BDBM307939 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCC3CC3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;17.7,12.65,;18.47,11.31,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM307940 OCC(O)CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:6.5,wD:9.12,(19.59,11.31,;18.26,10.54,;16.93,11.31,;16.93,12.85,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,)|
BDBM307941 COCC(C)N([C@H]1CC[C@H](N)CC1)c1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:9.9,wD:6.5,(6.26,12.85,;6.26,11.31,;7.59,10.54,;7.59,9,;6.26,8.23,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;14.26,11.31,;11.59,11.31,;10.26,10.54,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
BDBM307942 COCC(COC)N([C@H]1CC[C@H](N)CC1)c1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:11.11,wD:8.7,(8.92,12.85,;8.92,11.31,;7.59,10.54,;7.59,9,;6.26,8.23,;6.26,6.69,;4.92,5.92,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;14.26,11.31,;11.59,11.31,;10.26,10.54,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
BDBM307943 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCCOc3ccccc3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(-3.42,3.9,;-2.39,5.05,;-2.87,6.51,;-1.84,7.66,;-.33,7.34,;.14,5.87,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.26,10.54,;19.59,11.31,;19.59,12.85,;20.93,13.62,;22.26,12.85,;22.26,11.31,;20.93,10.54,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;-.89,4.73,)|
BDBM307944 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCCCOCc3ccccc3)ncc2Cl)c1 |r,wU:20.21,wD:23.28,(-3.42,3.9,;-2.39,5.05,;-2.87,6.51,;-1.84,7.66,;-.33,7.34,;.14,5.87,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;14.26,11.31,;14.26,12.85,;15.59,13.62,;15.59,15.16,;16.93,15.93,;16.93,17.47,;18.26,18.24,;18.26,19.78,;19.59,20.55,;20.93,19.78,;20.93,18.24,;19.59,17.47,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;-.89,4.73,)|
BDBM307945 CC(C)(CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)CS(=O)c1ccccc1 |r,wU:5.4,wD:8.11,(16.16,12.65,;16.93,11.31,;17.7,9.98,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,;18.26,12.08,;19.59,11.31,;19.59,9.77,;20.93,12.08,;20.93,13.62,;22.26,14.39,;23.6,13.62,;23.6,12.08,;22.26,11.31,)|
BDBM307946 COC(C)CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:6.5,wD:9.12,(19.59,11.31,;18.26,10.54,;16.93,11.31,;16.93,12.85,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,)|
BDBM307947 CC(CN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1)OC1CCCCC1 |r,wU:4.3,wD:7.10,(16.93,12.85,;16.93,11.31,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,;18.26,10.54,;19.59,11.31,;19.59,12.85,;20.93,13.62,;22.26,12.85,;22.26,11.31,;20.93,10.54,)|
BDBM307948 CC1(C)CCC(CN[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)O1 |r,wU:8.7,wD:11.14,(18.45,14.7,;18.59,13.16,;19.83,14.08,;19.36,11.83,;18.33,10.69,;16.93,11.31,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,;17.09,12.84,)|
BDBM307949 COCCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:6.5,wD:9.12,(20.93,10.54,;19.59,11.31,;18.26,10.54,;16.93,11.31,;15.59,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,)|
BDBM307950 CC(CO)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:5.4,wD:8.11,(15.59,9,;15.59,10.54,;16.93,11.31,;18.26,10.54,;14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;-1.84,7.66,;-2.87,6.51,;-2.39,5.05,;-3.42,3.9,;-.89,4.73,;3.59,3.61,;4.92,4.38,)|
BDBM307951 Fc1cccc(Cn2nnc3ncc(nc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307952 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2nnn(CC3CCOCC3)c2c1
BDBM307954 NC1CCCC(C1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
BDBM307955 Fc1cccc(Cn2c(nc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)C(F)(F)F)c1
BDBM307956 FC(F)(F)c1nc2ccc(cc2[nH]1)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307957 COCc1cn(Cc2cccc(F)c2)c2cc(cnc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307958 COCc1cn(CC2CCOCC2)c2cc(cnc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
BDBM307959 Clc1cnc(NC(=O)c2ccncc2)cc1-c1ccc2ncn(CC3CCOCC3)c2c1
BDBM307837 Fc1cccc(Cn2ccc3cnc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
BDBM307895 Fc1cccc(c1)-n1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2[C@H]3CN(C[C@@H]23)C(=O)Oc2ccccc2)ncc1Cl |r|
BDBM308012 CC1(O)CCC(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)CC1 |wU:22.23,(-6.17,-2.07,;-5.26,-.83,;-6.73,-.35,;-4.79,.64,;-3.28,.96,;-2.25,-.19,;-.74,.13,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;5.2,1.3,;6.53,2.07,;7.87,1.3,;9.2,2.07,;10.53,1.3,;10.53,-.24,;11.87,2.07,;13.2,1.3,;14.53,2.07,;14.53,3.61,;13.2,4.38,;11.87,3.61,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;3.86,-1.01,;-2.73,-1.65,;-4.23,-1.97,)|
BDBM307808 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.48,9.32,;14.81,10.09,;14.81,11.63,;13.48,12.4,;12.14,11.63,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM307813 Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.55,9.47,;14.58,10.61,;13.81,11.94,;12.31,11.62,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
BDBM316271 CNc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM316272 CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1[N+]([O-])=O
BDBM316273 CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1N
BDBM316274 COc1cc(F)ccc1-c1cc(Nc2ccc(F)c(c2)[N+]([O-])=O)ncn1
BDBM316275 CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1[N+]([O-])=O
BDBM316276 COc1cc(F)ccc1-c1cc(Nc2ccc(F)c(N)c2)ncn1
BDBM316277 CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1N
BDBM316278 COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(F)c2)ncn1
BDBM316279 COc1ccccc1-c1cc(Nc2ccc(Cl)c(O)c2)ncn1
BDBM316280 COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(O)c2)ncn1
BDBM316281 COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(c2)C(N)=O)ncn1
BDBM316282 CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1O
BDBM316283 CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(N)=O
BDBM316284 CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
BDBM316285 COc1cc(F)ccc1-c1cc(Nc2ccc(N(C)C)c(c2)C(N)=O)ncn1
BDBM316172 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNCc1ccccc1
BDBM316174 COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(Cn3cnc4ccccc34)c2)ncn1
BDBM316175 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN1C(=O)c2ccccc2C1=O
BDBM316176 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNS(C)(=O)=O
BDBM316177 COc1ccccc1-c1cc(Nc2ccc(cc2)N(C)C)ncn1
BDBM316178 COc1ccccc1-c1cc(Nc2ccc(Cl)c(CO)c2)ncn1
BDBM316286 CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1O
BDBM316179 COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(=O)NN)ncn1
BDBM316180 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OCCN1CCOCC1
BDBM316181 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NS(C)(=O)=O
BDBM316182 CNS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM316183 COc1ccccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
BDBM316184 COc1ccccc1-c1cc(Nc2ccc(O)c(c2)[N+]([O-])=O)ncn1
BDBM316185 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NS(=O)(=O)NC1CCCCC1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM316287 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Br
BDBM316288 COc1ccccc1-c1cc(Nc2ccc(OC)c(c2)C2=CCNCC2)ncn1 |t:22|
BDBM316289 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1NC(C)=O
BDBM316290 COC(=O)Nc1cc(Nc2cc(ncn2)-c2ccc(F)cc2OC)ccc1OC
BDBM316291 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1NC(N)=O
BDBM316292 COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OCc1ccccc1
BDBM316293 COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1O
BDBM316186 CCOC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1Cl
BDBM316187 COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(=O)N2CCCC2)ncn1
BDBM316188 COc1ccccc1-c1cc(Nc2ccc(Cl)c(Cn3cnc4ccccc34)c2)ncn1
BDBM316189 COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(CO)c2)ncn1
BDBM316190 CCOC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1N1CCOCC1
BDBM316191 COc1ccccc1-c1cc(Nc2ccc(N3CCOCC3)c(CO)c2)ncn1
BDBM316192 COc1ccccc1-c1cc(Nc2ccc(Cl)c(CN3C(=O)c4ccccc4C3=O)c2)ncn1
BDBM316294 COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1O
BDBM316295 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1O
BDBM316296 CCOc1ccccc1-c1cc(Nc2ccc(OC)c(O)c2)ncn1
BDBM316297 COC(=O)Oc1cc(Nc2cc(ncn2)-c2ccc(F)cc2OC)ccc1OC
BDBM316298 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1OC(C)=O
BDBM316299 COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1C(N)=O
BDBM316300 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
BDBM316301 CCOc1ccccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
BDBM316193 COC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1O
BDBM316194 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1F
BDBM316195 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCc1ccccc1
BDBM316196 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CO
BDBM316197 CNC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM316198 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(=O)C(C)(C)C
BDBM316199 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(=O)OCC(Cl)(Cl)Cl
BDBM316302 CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
BDBM316303 CCOc1ccc(F)cc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
BDBM316304 COc1ccccc1-c1cc(Nc2ccc(C(N)=O)c(Cl)c2)ncn1
BDBM316305 COC(=O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC
BDBM316306 CNC(=O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC
BDBM316307 COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C(=O)NCCO
BDBM316308 COc1ccccc1-c1cc(Nc2ccc(C(N)=O)c(OC)c2)ncn1
BDBM316309 COc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
BDBM316200 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCc1ccncc1
BDBM316201 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C=O
BDBM316202 COC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM316203 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12
BDBM316204 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1O
BDBM316205 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NN
BDBM316206 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNc1ccccc1
BDBM316310 COc1cc(F)ccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
BDBM316311 CCOc1cc(F)ccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
BDBM316312 COc1ccc(F)cc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
BDBM316313 CCOc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
BDBM316314 CCOc1ccc(F)cc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
BDBM316315 COc1ccccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
BDBM316316 COc1ccc(F)cc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
BDBM316317 CCOc1ccccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
BDBM316207 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN(C)C
BDBM316208 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OCc1ccccc1
BDBM316209 CNCc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM316210 COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(c2)S(N)(=O)=O)ncn1
BDBM316211 CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12
BDBM316212 COc1ccccc1-c1cc(Nc2ccc(F)c(Cn3cnc4ccccc34)c2)ncn1
BDBM316213 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1N
BDBM316318 COc1cc(F)c(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
BDBM316319 CCOc1cc(F)ccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
BDBM316320 CCOc1ccc(F)cc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
BDBM316214 COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(Cn3cnc4ccccc34)c2)ncn1
BDBM316215 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN
BDBM316216 COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(N)=O)ncn1
BDBM316217 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(N)=O |$;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
BDBM316218 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)N(C)N
BDBM316219 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCCCN1CCN(C)CC1
BDBM316220 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCCO
BDBM316221 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(O)=O
BDBM316222 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(C)=O
BDBM316223 COC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM316224 CNC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM316225 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(=O)C(C)(C)C
BDBM316226 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Nc1nc2ccccc2[nH]1
BDBM316227 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC=O
BDBM316228 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(N)=O
BDBM316229 COc1ccccc1-c1cc(Nc2ccc(c(F)c2)[N+]([O-])=O)ncn1
BDBM316230 COc1ccccc1-c1cc(Nc2ccc(c(OC)c2)[N+]([O-])=O)ncn1
BDBM316231 COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1N
BDBM316232 COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1NS(C)(=O)=O
BDBM316233 CCOc1ccccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
BDBM316234 CCOc1ccccc1-c1cc(Nc2ccc(OC)c(N)c2)ncn1
BDBM316235 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1[N+]([O-])=O
BDBM316236 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1N
BDBM316237 COc1ccc(cc1)-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
BDBM316238 COc1ccc(cc1)-c1cc(Nc2ccc(OC)c(N)c2)ncn1
BDBM316239 COc1cccc(c1)-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
BDBM316240 COc1cccc(c1)-c1cc(Nc2ccc(OC)c(N)c2)ncn1
BDBM316241 COc1ccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)cc1[N+]([O-])=O
BDBM316242 COc1ccc(Nc2cc(ncn2)-c2ccccc2O)cc1N
BDBM316243 COc1ccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)cc1N
BDBM316244 CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
BDBM316245 CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(N)c2)ncn1
BDBM316246 COc1ccc(F)cc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
BDBM316247 COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1N
BDBM316248 COc1ccc(Nc2cc(ncn2)-c2ccccc2Oc2ccccc2)cc1[N+]([O-])=O
BDBM316249 COc1ccc(Nc2cc(ncn2)-c2ccccc2Oc2ccccc2)cc1N
BDBM316250 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC(C)C)cc1[N+]([O-])=O
BDBM316251 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC(C)C)cc1N
BDBM316252 COc1ccc(Nc2cc(ncn2)-c2cccc(F)c2OC)cc1[N+]([O-])=O
BDBM316253 COc1ccc(Nc2cc(ncn2)-c2cccc(F)c2OC)cc1N
BDBM316254 COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1[N+]([O-])=O
BDBM316255 COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1N
BDBM316256 COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1NC=O
BDBM316257 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC(C)C)cc1[N+]([O-])=O
BDBM316258 COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC(C)C)cc1N
BDBM316259 COc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)[N+]([O-])=O)ncn1
BDBM316260 COc1ccccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
BDBM316261 CCOc1cc(F)ccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
BDBM316262 COc1cc(F)ccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
BDBM316263 COc1ccc(F)cc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
BDBM316264 COc1cc(F)c(Nc2cc(ncn2)-c2ccccc2OC)cc1N
BDBM316265 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(C)=O
BDBM316266 COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(=O)N(C)C
BDBM316267 COC(=O)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM316268 COc1ccccc1-c1cc(Nc2ccc(Oc3ccccc3)c(c2)[N+]([O-])=O)ncn1
BDBM316269 COc1ccccc1-c1cc(Nc2ccc(Oc3ccccc3)c(N)c2)ncn1
BDBM316270 COC(=O)N(C)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
BDBM50235361 NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
BDBM50235816 CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
BDBM50235820 FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
BDBM50235342 NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
BDBM50235830 CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
BDBM50235833 Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
BDBM50235817 FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
BDBM50238867 C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r|
BDBM353391 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCC(O)=O |t:21|
BDBM351938 CCOC(=O)NS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:12|
BDBM354107 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C1CCN(CC(O)=O)CC1 |t:21|
BDBM354119 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC1)C(O)=O |r,wU:24.27,27.34,t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,-.56,;-10.84,-.56,;-11.61,.77,;-10.84,2.1,;-9.3,2.1,;-13.15,.77,;-13.92,2.1,;-13.92,-.56,)|
BDBM354120 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:27.34,wD:24.27,t:21,(-2.67,-3.08,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-3.91,.77,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-8.53,.77,;-9.3,2.1,;-10.84,2.1,;-11.61,.77,;-10.84,-.56,;-9.3,-.56,;-13.15,.77,;-13.92,2.1,;-13.92,-.56,)|
BDBM354121 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:25.28,28.32,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,1.51,;-8.1,1.51,)|
BDBM354122 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.32,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-11.95,2.84,;-12.72,4.18,;-11.95,5.51,;-14.26,4.18,;-9.64,1.51,;-8.1,1.51,)|
BDBM354123 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCC(CC(O)=O)CC1 |t:21|
BDBM354125 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@H](CC1)C(O)=O |r,wU:25.28,28.35,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,1.51,;-9.64,1.51,;-10.41,2.84,;-9.64,4.18,;-8.1,4.18,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
BDBM354126 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
BDBM353291 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCN(CC(O)=O)CC1 |t:21|
BDBM353373 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(=O)NS(C)(=O)=O |t:21|
BDBM354065 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCN(CC(O)=O)CC1 |t:21|
BDBM50261273 Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1
BDBM454559 CC1Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM50263013 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
BDBM50248690 CSc1sc(C(N)=O)c2CCc3cnsc3-c12
BDBM50248614 COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
BDBM50262385 Clc1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1
BDBM50262396 Cn1c(cc2c(Cl)ccnc12)-c1ccc(cc1)N1CCNCC1
BDBM50262397 N#Cc1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1
BDBM50262405 Cn1c(cc2c(ccnc12)C#N)-c1ccc(cc1)N1CCNCC1
BDBM50458051 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F
BDBM50466852 CCOc1ccccc1CNc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12
BDBM50466842 CC[C@@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
BDBM50458034 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
BDBM50458035 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
BDBM50458046 COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM50459995 Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1
BDBM50466210 COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)|
BDBM50457375 CN1CCN(CCCCOc2c(OCc3ccc(cc3)C#N)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50468264 Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
BDBM50500934 C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|
BDBM454542 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|
BDBM50509371 CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O |r|
BDBM50511926 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
BDBM50511931 C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r|
BDBM50505741 COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(55.44,-8.62,;55.46,-7.09,;54.13,-6.3,;54.15,-4.76,;52.79,-7.06,;52.77,-8.6,;51.44,-9.36,;50.12,-8.58,;50.12,-7.04,;51.46,-6.28,;48.78,-9.33,;47.44,-8.56,;46.1,-9.32,;46.11,-10.85,;47.43,-11.64,;48.77,-10.87,;44.77,-11.63,;44.77,-13.17,;46.1,-13.94,;46.1,-15.48,;44.77,-16.25,;43.44,-15.48,;42.12,-16.26,;40.78,-15.51,;40.76,-13.96,;42.09,-13.18,;43.43,-13.94,;39.43,-13.22,;38.09,-12.47,)|
BDBM50505743 COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 |r,wU:13.17,wD:10.10,(21.97,-21.58,;21.98,-20.04,;20.66,-19.26,;20.68,-17.72,;19.32,-20.02,;19.31,-21.56,;17.97,-22.32,;16.64,-21.54,;16.65,-19.99,;17.99,-19.23,;15.3,-22.29,;13.96,-21.52,;12.62,-22.28,;12.62,-23.82,;13.95,-24.6,;15.29,-23.83,;11.28,-24.59,;11.28,-26.13,;12.62,-26.91,;12.62,-28.45,;13.95,-29.22,;15.28,-28.46,;15.43,-26.92,;16.94,-26.61,;17.7,-27.94,;19.24,-27.93,;16.67,-29.08,;11.28,-29.22,;9.95,-28.45,;8.63,-29.24,;7.29,-28.48,;7.27,-26.93,;5.93,-26.19,;5.91,-24.65,;5.88,-23.11,;8.6,-26.15,;9.94,-26.91,)|
BDBM444545 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCCN2)ncc1F
BDBM444493 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
BDBM444494 CN1CCN(CC(=C)N2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C6CCCC6)c5c4)ccc3C2)CC1
BDBM444495 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F
BDBM444496 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F
BDBM444516 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F
BDBM444586 C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r|
BDBM444589 C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
BDBM444579 C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
BDBM444525 CN(C)CCOC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444530 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F
BDBM444531 CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM444532 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444534 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM444539 CN1CCC[C@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444540 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
BDBM444541 CN(C)CCN(C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444542 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r|
BDBM444543 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM50516532 COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1 |r|
BDBM444548 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444549 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444550 CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444555 CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444560 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#CCN(C)C)CCc3n2)ncc1F
BDBM444561 C[C@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
BDBM444563 CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444564 CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444565 CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM454552 Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)cc1-c1cnn2CCCCc12 |r|
BDBM444567 CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444569 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
BDBM444571 CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444573 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444574 CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
BDBM444575 CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
BDBM444577 [#6]-[#6](-[#6])-n1c(-[#6])nc2c(F)cc(cc12)-c1nc(-[#7]-c2ccc3-[#6]-[#7](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-c3n2)ncc1F
BDBM444578 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
BDBM444526 C[C@@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444482 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C)CCc3n2)ncc1F
BDBM444483 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CCO)ncc1F
BDBM444501 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM50519158 Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
BDBM50506700 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1
BDBM444486 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM50532766 COCCNC(=O)Nc1nc2cc(OS(=O)(=O)c3c(F)cccc3F)ccc2[nH]1
BDBM50532767 COC(=O)Nc1nc2cc(Sc3nnc4ccc(nn34)-c3ccc(F)cc3)ccc2[nH]1
BDBM50530429 C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccc1 |r|
BDBM50530430 Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1
BDBM50526789 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3CCNC[C@H]3O)nc12 |r|
BDBM50526790 Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
BDBM50526791 Clc1cnc(NC2CCCCC2)nc1-c1c[nH]c2cccnc12
BDBM50526792 CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
BDBM50526793 CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
BDBM50526794 CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
BDBM50526795 CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
BDBM50526797 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM50526798 CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12
BDBM50526799 CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12
BDBM50526800 Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
BDBM50526801 FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r|
BDBM50526803 CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
BDBM50528812 CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
BDBM50528817 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
BDBM50528809 COc1cc(F)ccc1-c1cc(Nc2cc(C[S@](C)(=N)=O)ccn2)ncc1F |r|
BDBM444591 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
BDBM444605 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444607 CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1
BDBM444609 CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444613 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444620 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F
BDBM50532751 COC(=O)Nc1nc2cc(OS(=O)(=O)c3c(Cl)cccc3Cl)ccc2[nH]1
BDBM444621 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
BDBM444634 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCO)CCc3n2)ncc1F
BDBM444593 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM444594 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM444595 CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM454571 CC1(C)CCn2ncc(c2C1)-c1cc(NC(=O)[C@H]2CCC[C@@H](N)C2)ncc1F |r|
BDBM454572 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CCO)ncc1Cl |r|
BDBM454573 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl |r,wD:16.17,20.24,25.27,27.30,(-1.68,4.97,;-3.02,4.2,;-1.68,3.43,;-3.49,2.73,;-5.03,2.73,;-6.28,1.83,;-7.52,2.73,;-7.05,4.2,;-5.51,4.2,;-4.26,5.1,;-6.28,.29,;-4.94,-.48,;-4.94,-2.02,;-3.61,-2.79,;-2.28,-2.02,;-2.28,-.48,;-.94,-2.79,;-.94,-4.33,;.39,-5.1,;1.72,-4.33,;1.72,-2.79,;.39,-2.02,;3.06,-2.02,;4.39,-2.79,;4.39,-4.33,;5.73,-2.02,;6.12,-.53,;7.61,-.93,;8.95,-.16,;7.21,-2.42,;-6.28,-2.79,;-7.61,-2.02,;-7.61,-.48,;-8.95,.29,)|
BDBM454574 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@@H](N)C2)ncc1F |r|
BDBM454575 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1F |r|
BDBM454576 CC1(C)Cc2ncc(-c3cc(NC(=O)[C@H]4CCC[C@H](C4)NC(=O)C4(O)CC4)ncc3Cl)n2C1 |r|
BDBM454577 CC1(C)Cc2ncc(-c3cc(NC(=O)[C@H]4CCC[C@H](C4)NC(=O)C4COC4)ncc3Cl)n2C1 |r|
BDBM454578 CC1(C)Cc2ncc(-c3cc(NC(=O)[C@@H]4C[C@H](O)C4)ncc3Cl)n2C1 |r,wD:14.13,16.16,(1.09,5.09,;.32,3.76,;1.81,3.36,;-.93,4.66,;-2.17,3.76,;-3.71,3.76,;-4.19,2.29,;-2.94,1.39,;-2.94,-.15,;-1.61,-.92,;-1.61,-2.46,;-.28,-3.23,;1.06,-2.46,;1.06,-.92,;2.39,-3.23,;3.88,-2.83,;4.28,-4.32,;5.61,-5.09,;2.79,-4.72,;-2.94,-3.23,;-4.28,-2.46,;-4.28,-.92,;-5.61,-.15,;-1.7,2.29,;-.16,2.29,)|
BDBM454579 CC(=O)N[C@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
BDBM454580 CC(=O)N[C@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCC(C)(C)Cc23)c(Cl)cn1 |r|
BDBM454581 CC(=O)N[C@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM454582 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(F)cn1 |r|
BDBM454583 CC1CCn2ncc(c2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454584 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCCc23)c(Cl)cn1 |r|
BDBM454585 Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2COC2)cc1-c1cnn2CCCCc12 |r|
BDBM454586 CC1CCc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454587 COC1CCc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454588 COC1CCn2ncc(c2C1)-c1cc(NC(=O)[C@@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454589 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCCc23)c(F)cn1 |r|
BDBM454590 Cc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CO)cc1-c1cnn2CC(C)(C)Cc12 |r|
BDBM454591 Cc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2COC2)cc1-c1cnn2CC(C)(C)Cc12 |r|
BDBM454592 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(C)cn1 |r|
BDBM454593 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)CCCc23)c(Cl)cn1 |r|
BDBM454594 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cn[nH]c2CCCCO)c(Cl)cn1 |r|
BDBM454595 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)C(O)c23)c(Cl)cn1 |r|
BDBM454596 CC(=O)N[C@H]1CCC[C@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|
BDBM454597 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)C(C)(C)Cc23)c(Cl)cn1 |r|
BDBM454598 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cn[nH]c2CC(C)(C)CO)c(Cl)cn1 |r|
BDBM454599 CC(=O)N[C@@H]1CCC[C@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|
BDBM454600 CC(=O)N[C@H]1CCC[C@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM454601 CC1CCn2ncc(c2C1)-c1cc(NC(=O)[C@@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454602 CC1CCc2c(cnn2C1)-c1cc(NC(=O)[C@@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454603 COC1CCc2c(cnn2C1)-c1cc(NC(=O)[C@@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454604 COC1CCn2ncc(c2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454518 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1cnc2CCCCn12 |r|
BDBM454519 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM454520 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCCCc12 |r|
BDBM454605 CC(=O)N[C@@H]1CCC[C@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)C(O)c23)c(Cl)cn1 |r|
BDBM454521 O[C@H]1C[C@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r,wD:3.5,1.0,(5.61,-5,;4.28,-4.23,;3.88,-2.74,;2.39,-3.14,;2.79,-4.63,;1.06,-2.37,;1.06,-.83,;-.28,-3.14,;-1.61,-2.37,;-1.61,-.83,;-2.94,-.06,;-2.94,1.48,;-4.19,2.39,;-3.71,3.85,;-2.17,3.85,;-1.14,5,;.36,4.68,;.84,3.21,;-.19,2.07,;-1.7,2.39,;-4.28,-.83,;-5.61,-.06,;-4.28,-2.37,;-2.94,-3.14,)|
BDBM454522 Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1cnn2CCCCc12 |r|
BDBM454523 O[C@H]1C[C@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCCCc12 |r,wD:3.5,1.0,(4.94,-5,;3.61,-4.23,;3.21,-2.74,;1.72,-3.14,;2.12,-4.63,;.39,-2.37,;.39,-.83,;-.94,-3.14,;-2.28,-2.37,;-2.28,-.83,;-3.61,-.06,;-4.94,-.83,;-4.94,-2.37,;-3.61,-3.14,;-3.61,1.48,;-4.86,2.39,;-4.38,3.85,;-2.84,3.85,;-1.81,5,;-.3,4.68,;.17,3.21,;-.86,2.07,;-2.36,2.39,)|
BDBM454524 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3CCCCn23)c(Cl)cn1 |r|
BDBM454525 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCOc23)c(Cl)cn1 |r|
BDBM454526 CC(=O)N[C@H]1CCC[C@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1
BDBM454527 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCc23)c(Cl)cn1 |r|
BDBM454528 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCOCc23)c(Cl)cn1 |r|
BDBM454529 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3CCCn23)c(Cl)cn1 |r|
BDBM454530 CN1CCn2ncc(c2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM454532 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCNc23)c(Cl)cn1 |r|
BDBM454533 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CC(C)(C)Cc12 |r|
BDBM454534 CC1(C)Cc2c(cnn2C1)-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)c1 |r|
BDBM454535 CC1(C)Cc2c(cnn2C1)-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2COC2)c1 |r|
BDBM454536 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2COC2)ncc1Cl |r|
BDBM454537 C[C@H](O)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
BDBM454538 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r|
BDBM454539 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3CC(C)(C)Cn23)c(Cl)cn1 |r|
BDBM454540 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)ncc1Cl |r|
BDBM454541 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@H]2CCOC2)ncc1Cl |r|
BDBM454543 CC1(C)Cc2c(cnn2C1)-c1ccnc(NC(=O)[C@@H]2C[C@H](O)C2)c1 |r,wD:18.19,20.22,(.99,4.74,;-.35,3.97,;.99,3.2,;-.82,2.51,;-2.36,2.51,;-3.61,1.6,;-4.86,2.51,;-4.38,3.97,;-2.84,3.97,;-1.59,4.88,;-3.61,.06,;-4.94,-.71,;-4.94,-2.25,;-3.61,-3.02,;-2.28,-2.25,;-.94,-3.02,;.39,-2.25,;.39,-.71,;1.72,-3.02,;3.21,-2.62,;3.61,-4.11,;4.94,-4.88,;2.12,-4.51,;-2.28,-.71,)|
BDBM454544 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl |r,wD:16.17,18.20,(1.65,4.74,;.32,3.97,;1.65,3.2,;-.16,2.51,;-1.7,2.51,;-2.94,1.6,;-4.19,2.51,;-3.71,3.97,;-2.17,3.97,;-.93,4.88,;-2.94,.06,;-1.61,-.71,;-1.61,-2.25,;-.28,-3.02,;1.06,-2.25,;1.06,-.71,;2.39,-3.02,;3.88,-2.62,;4.28,-4.11,;5.61,-4.88,;2.79,-4.51,;-2.94,-3.02,;-4.28,-2.25,;-4.28,-.71,;-5.61,.06,)|
BDBM454545 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ncn1)-c1cnn2CCCCc12 |r|
BDBM454546 O[C@H]1C[C@@H](C1)C(=O)Nc1cc(ncn1)-c1cnn2CCCCc12 |r,wU:3.5,wD:1.0,(4.94,-5,;3.61,-4.23,;3.21,-2.74,;1.72,-3.14,;2.12,-4.63,;.39,-2.37,;.39,-.83,;-.94,-3.14,;-2.28,-2.37,;-2.28,-.83,;-3.61,-.06,;-4.94,-.83,;-4.94,-2.37,;-3.61,-3.14,;-3.61,1.48,;-4.86,2.39,;-4.38,3.85,;-2.84,3.85,;-1.81,5,;-.3,4.68,;.17,3.21,;-.86,2.07,;-2.36,2.39,)|
BDBM454547 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ncn1)-c1cnn2CC(C)(C)Cc12 |r|
BDBM454548 Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)cc1-c1cnn2CCCCc12 |r|
BDBM454549 CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM454550 N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM454551 OC1(CC1)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM454553 CC1(COC1)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM454555 Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@H]2CCCO2)cc1-c1cnn2CCCCc12 |r|
BDBM454556 C[C@H](O)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|
BDBM454557 Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@H]2CCOC2)cc1-c1cnn2CCCCc12 |r|
BDBM454558 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(cn1)C#N |r|
BDBM454561 CC1Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl
BDBM454562 CC(=O)N[C@H]1CCC[C@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1
BDBM454563 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCC(C)(C)Cc12 |r|
BDBM454564 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCCO2)ncc1Cl |r|
BDBM454565 CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@H]2CCCO2)ncc1Cl |r|
BDBM454566 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(C)cn1 |r|
BDBM454567 CC(=O)N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
BDBM454568 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2nnn3CCCCc23)c(Cl)cn1 |r|
BDBM454569 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3CC(C)(C)Cn23)c(F)cn1 |r|
BDBM454570 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCC(C)(C)Cc23)c(F)cn1 |r|
BDBM50539906 CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)Nc3ccc(NC(=O)C=C)cc3)s2)o1
BDBM50539914 FC(F)(F)c1ncc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)cn1 |r|
BDBM50540077 CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
BDBM50540080 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
BDBM50539915 C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCC2CCOCC2)s1 |r|
BDBM50539916 CC(C)(C)c1cnc(CCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM50539917 CC(C)(C)c1cnc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM50539918 CC(C)(C)c1cnc(CNCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM50539721 CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r|
BDBM50540079 Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1F |r,wU:14.15,wD:17.19,(30.75,-4.85,;29.97,-6.19,;28.43,-6.19,;27.96,-7.65,;29.21,-8.55,;30.45,-7.65,;31.94,-8.05,;33.03,-6.96,;34.51,-6.56,;33.42,-5.47,;29.21,-10.1,;30.54,-10.86,;30.54,-12.4,;31.87,-13.17,;33.2,-12.4,;33.2,-10.86,;34.53,-10.1,;35.87,-10.86,;37.2,-10.1,;35.87,-12.4,;34.53,-13.17,;29.21,-13.17,;27.88,-12.41,;27.88,-10.86,;26.54,-10.1,)|
BDBM50539921 CC(C)(C)c1cnc(CSc2nnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM493977 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM493985 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H]2CCCN2)ncc1F |r|
BDBM494018 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CB(O)O)CCc3n2)ncc1F
BDBM494029 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCS(C)(=O)=NC#N)CCc3n2)ncc1F
BDBM494032 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM494033 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM498185 COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)n(C)n1 |r|
BDBM498187 Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)on1 |r|
BDBM519533 CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)C(=O)N3CCC(CC3)NC(=O)C=C)s2)o1
BDBM519534 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM519535 FC(F)(F)c1cc(NCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)ncc1Cl |r|
BDBM519536 CC(C)(C)c1cnc(\C=C\c2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM519538 FC(F)(F)c1cccc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)c1 |r|
BDBM519542 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)S(=O)(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM519543 C=CC(=O)Nc1ccc(cc1)S(=O)N1CCCC(C1)Nc1ncc(SCc2ccncc2)s1
BDBM519544 C=CC(=O)Nc1ccc(cc1)S(=O)N1CCCC(C1)Nc1ncc(SCc2cccnc2)s1
BDBM519545 C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ccccn2)s1 |r|
BDBM519547 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)S(=O)(=O)c3ccc4N(CCc4c3)C(=O)C=C)s2)o1 |r|
BDBM519548 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3C(F)(F)F)s2)o1 |r|
BDBM519550 C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2cncnc2)s1 |r|
BDBM519551 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM519552 CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM519553 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM519554 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM519455 C=CC(=O)Nc1cccc(c1)C(=O)Nc1ncc(s1)N1CCOCC1
BDBM519456 CN1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
BDBM519476 CCN1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
BDBM519479 CC(C)(C)OC(=O)N1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
BDBM519480 CN(C)C1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
BDBM519490 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
BDBM519493 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)C3CCC(CC3)NC(=O)C=C)s2)o1 |(7.03,2.4,;7.43,3.88,;8.92,4.28,;8.52,2.8,;6.34,4.97,;6.34,6.51,;4.88,6.99,;3.97,5.74,;2.43,5.74,;1.66,7.08,;.12,7.08,;-.78,8.32,;-2.25,7.85,;-2.25,6.31,;-3.58,5.54,;-3.58,4,;-2.25,3.23,;-2.25,1.69,;-3.58,.92,;-4.92,1.69,;-4.92,3.23,;-6.25,.92,;-7.58,1.69,;-6.25,-.62,;-7.58,-1.39,;-7.58,-2.93,;-6.25,-3.7,;-4.92,-2.93,;-4.92,-1.39,;-6.25,-5.24,;-7.58,-6.01,;-8.92,-5.24,;-7.58,-7.55,;-8.92,-8.32,;-.78,5.83,;4.88,4.5,)|
BDBM519500 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)N3CCC(CC3)NC(=O)C=C)s2)o1
BDBM519527 CC(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
BDBM519528 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)Oc3ccc(NC(=O)C=C)cc3)s2)o1
BDBM519529 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(CNC(=O)C=C)cc3)s2)o1
BDBM519532 COc1cc(NC(=O)C=C)ccc1C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50549515 CC(=O)NC1CCCC(C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1
BDBM50549516 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2nnn3ccccc23)c(Cl)cn1 |r|
BDBM50549517 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc3ccccn23)c(Cl)cn1 |r|
BDBM50549518 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnc(C)n2C)c(Cl)cn1 |r|
BDBM50549519 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3ccccc23)c(Cl)cn1 |r|
BDBM50549520 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn(C)c2C)c(Cl)cn1 |r|
BDBM50549521 CC(C)n1c(C)ncc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
BDBM50553499 Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)|
BDBM50552452 NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
BDBM50553479 COc1cc(F)ccc1-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM50553480 C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Br |r|
BDBM50553481 CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM50553482 CN1CC[C@@H]([C@H](O)C1)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM50553483 COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=N)=O)ccn2)ncc1F
BDBM50553484 Nc1nc(C[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+]([O-])=O |r|
BDBM50560713 COc1cccc(c1)-c1ccnc(Nc2ccc3N(C)C(=O)[C@@H](C)N(C(C)C)c3c2)n1 |r|
BDBM50560714 COc1ccc(cc1)-c1ccnc(Nc2ccc3N(C)C(=O)[C@@H](C)N(C(C)C)c3c2)n1 |r|
BDBM50560716 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc(C)c3)cc12 |r|
BDBM50560717 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3ccc(C)cc3)cc12 |r|
BDBM50560718 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3ccccc3N)cc12 |r|
BDBM50560719 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc(N)c3)cc12 |r|
BDBM50560720 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3ccc(N)cc3)cc12 |r|
BDBM50560721 COc1cc(F)ccc1-c1ccnc(Nc2ccc3N(C)C(=O)[C@@H](C)N(C(C)C)c3c2)n1 |r|
BDBM50560722 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3ccc(F)cc3C)cc12 |r|
BDBM50560723 CNc1cccc(c1)-c1ccnc(Nc2ccc3N(C)C(=O)[C@@H](C)N(C(C)C)c3c2)n1 |r|
BDBM50560724 CCNc1cccc(c1)-c1ccnc(Nc2ccc3N(C)C(=O)[C@@H](C)N(C(C)C)c3c2)n1 |r|
BDBM50560725 CC(C)Nc1cccc(c1)-c1ccnc(Nc2ccc3N(C)C(=O)[C@@H](C)N(C(C)C)c3c2)n1 |r|
BDBM50560726 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc(N)c3C)cc12 |r|
BDBM50560727 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cc(N)ccc3C)cc12 |r|
BDBM50560728 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc4NCCCc34)cc12 |r|
BDBM50560730 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc4[nH]ccc34)cc12 |r|
BDBM50560731 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc4nn(C)cc34)cc12 |r|
BDBM50560732 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc4cnccc34)cc12 |r|
BDBM50560733 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc4ncccc34)cc12 |r|
BDBM50560734 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3ccnc4ccccc34)cc12 |r|
BDBM50560735 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cncc4ccccc34)cc12 |r|
BDBM50560736 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3ncc(F)c(n3)-c3cncc4ccccc34)cc12 |r|
BDBM50560737 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3ncc(Cl)c(n3)-c3cncc4ccccc34)cc12 |r|
BDBM50560738 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3ncc(C)c(n3)-c3cncc4ccccc34)cc12 |r|
BDBM50560739 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc(NC4CCCC4)c3)cc12 |r|
BDBM50560740 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cccc(NC4CCCCC4)c3)cc12 |r|
BDBM50576479 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N1CCC(CC1)C(O)=O |t:21|
BDBM50576480 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)c1ccc(CC(O)=O)cc1 |t:21|
BDBM50570698 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCl)nc2n(C2CCCC2)c1=O
BDBM50570973 O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
BDBM50570974 COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
BDBM50581212 Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)n1
BDBM50581213 Cc1nc(NCc2ncccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50581214 Cc1nc(-c2ccc3OCOc3c2)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50583764 C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1cccc(Br)n1 |r|
BDBM50583756 Cc1nc2ccc(nc2n1CCCC(F)(F)F)-c1cc(N)nc(N)c1
BDBM50583718 Nc1cc(cc(N)n1)-c1ccc2occc2c1
BDBM50581229 COc1nc(C)nc2[nH]cc(-c3ccnc(C)c3)c12
BDBM50583761 C[C@@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccn1 |r|
BDBM50583746 CCCCc1nc2ccc(nc2n1CCCC)-c1cc(N)nc(N)c1
BDBM50583757 Cc1oc2ccc(cc2c1C)-c1cc(N)nc(N)c1
BDBM50581228 COc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12
BDBM50581238 Cc1nc(NCc2ccccc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50581239 Cc1nc(NCc2cccs2)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50580886 COc1cc(\C=C2/S\C(NC2=O)=N\c2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1
BDBM50581240 Cc1nc(NCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50583758 C[C@@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccc1 |r|
BDBM50581233 Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50583747 Cc1nc2ccc(nc2n1C(C)(C)C)-c1cc(N)nc(N)c1
BDBM50581241 Cc1nc(NCc2ccoc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50588259 COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
BDBM50588260 O=C(N1CCCC1)c1ccc(cc1)-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
BDBM50588282 CN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(CCC2CCOCC2)c1
BDBM50588266 CC(C)n1c(C)nc2ccc(cc12)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50583763 Cc1nc2ccc(nc2n1CCOc1cccc(Cl)n1)-c1cc(N)nc(N)c1
BDBM50583741 Cc1cc2cc(ccc2o1)-c1cc(N)nc(N)c1
BDBM50583742 Nc1cc(cc(N)n1)-c1ccc2oc(Cl)cc2c1
BDBM50583743 Cc1nc2ccc(nc2n1C)-c1cc(N)nc(N)c1
BDBM50583744 CCCCn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
BDBM50583745 CCCCn1c(CC)nc2ccc(nc12)-c1cc(N)nc(N)c1
BDBM50588281 CN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(CC2CCOCC2)c1
BDBM50588267 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:18.20,wD:21.27,(-1.4,.78,;-2.74,0,;-4.08,.78,;-4.08,2.33,;-5.42,3.09,;-5.42,4.63,;-6.75,2.32,;-6.75,.78,;-5.41,-0,;-5.41,-1.54,;-6.75,-2.31,;-6.75,-3.85,;-5.41,-4.63,;-4.07,-3.84,;-2.61,-4.3,;-1.71,-3.06,;-2.63,-1.82,;-4.08,-2.31,;-.17,-3.04,;.57,-1.7,;2.11,-1.7,;2.9,-3.03,;2.13,-4.36,;.59,-4.37,;4.43,-3.02,;5.2,-1.68,;6.75,-1.67,;4.42,-.34,)|
BDBM50588268 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCOCC1
BDBM50588269 COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCOCC1)C(=O)N1CCCC1
BDBM50588270 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O
BDBM50588271 COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O)C(=O)N1CCCC1
BDBM50588275 COc1cc(=O)n(C)cc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588272 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)CC1
BDBM50581236 Cc1nc(OCc2cncs2)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50581237 Cc1nc(OCc2ccccc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50588273 COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)CC1)C(=O)N1CCCC1
BDBM50588274 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50583748 Cc1nc2ccc(nc2n1C1CCCC1)-c1cc(N)nc(N)c1
BDBM50583749 COCCCn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
BDBM50583750 Cc1nc2ccc(nc2n1CCC1CCCCC1)-c1cc(N)nc(N)c1
BDBM50583751 Cc1nc2ccc(nc2n1Cc1ccc(F)cc1)-c1cc(N)nc(N)c1
BDBM50583752 Cc1nc2ccc(nc2n1CCc1ccco1)-c1cc(N)nc(N)c1
BDBM50583753 Cc1nc2ccc(nc2n1CCOc1ccccc1)-c1cc(N)nc(N)c1
BDBM50583754 Cc1nc2ccc(nc2n1CC(F)F)-c1cc(N)nc(N)c1
BDBM50583755 Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1
BDBM50583759 Cc1nc2ccc(nc2n1CCOc1ccccn1)-c1cc(N)nc(N)c1
BDBM50583760 C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccn1 |r|
BDBM50588286 CNC(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(c1)C(C)C
BDBM50588287 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(Cc2cccs2)CC1
BDBM50588288 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(F)F)CC1
BDBM50588284 CC(C)n1nc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588285 CC(C)n1cc(cnc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588290 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM50588289 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O
BDBM50588255 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
BDBM50588256 COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)C1CCC(C1)NC(C)=O
BDBM50588257 COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)C1CCNCC1
BDBM50588258 COc1cc(ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCCC1
BDBM50588262 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1
BDBM50588264 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1
BDBM50588276 CCn1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588277 CC(C)Cn1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588278 COCCn1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588279 CSCCn1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588280 CN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(c1)C1CCOCC1
BDBM50588265 CN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(C)c1
BDBM50588263 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588261 COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1
BDBM50581234 Cc1cc(COc2nc(C)nc3[nH]cc(-c4ccnc(N)c4)c23)no1
BDBM50588283 CN(C)C(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(c1)C1CCC1
BDBM50583762 Cc1nc2ccc(nc2n1CCOc1cccc(Br)n1)-c1cc(N)nc(N)c1
BDBM50581211 Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
BDBM50590456 CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
BDBM50590457 Cn1cc(ccc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.66,-3.08,;9.33,-3.85,;8,-3.08,;6.66,-3.85,;6.66,-5.39,;8,-6.16,;9.33,-5.39,;10.66,-6.16,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;0,-1.54,;0,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.53,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-9.33,-.77,;-10.66,0,;1.33,.77,;0,1.54,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;5.33,6.16,;6.67,5.39,;6.67,3.86,;5.34,3.08,)|
BDBM50593922 CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
BDBM50595924 Fc1ccc(N2CCCCC2)c(NC(=S)c2ccncc2)c1
BDBM50600030 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)C1CCCC[C@H]1CCO |r|
BDBM50600027 Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+]([O-])=O |r|
BDBM50600028 CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)-c3csc4c3oc(cc4=O)N3CCOCC3)nc2n1C1CCCC1
BDBM50607227 Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OCc1cn(CCCCCCCC(=O)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM642787 CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM642788 O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1
BDBM642789 CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM642790 CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12
CHEMBL5285499 CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1 |r|
CHEMBL5273925 CC(C)(C)c1coc(CSc2cnc(NC(=O)C3CCNCC3)s2)n1
CHEMBL5287103 O=C1NC(=O)\C(=C/Nc2ccc(cc2)-c2nc3ncccc3[nH]2)C(=O)N=N1 |c:28|
CHEMBL5287796 COc1cc(O)c2c(oc(cc2=O)-c2ccc(cc2)N2CCN(C)CC2)c1N1CCNCC1
CHEMBL5288241 O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
CHEMBL5275774 O=C1NC(=O)\C(=C\Nc2ccc(cc2)-c2nc3ncccc3[nH]2)C(=O)N=N1 |c:28|
CHEMBL5266005 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
CHEMBL5277376 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(C\C=C\C(F)(F)F)CC3)nc2n(C2CCCC2)c1=O
CHEMBL4860767 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C=C)nc2n(C2CCCC2)c1=O
CHEMBL5277470 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C(=C\c3ccccc3)\C#N)nc2n(C2CCCC2)c1=O