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651 SMILES Strings for MAP kinase p38

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
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
BDBM13246 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1
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
BDBM14834 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO
BDBM14835 Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM14837 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
BDBM14838 CC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
BDBM14839 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
BDBM14840 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
BDBM14842 O=C(Nc1ccnn1-c1ccccc1)Nc1ccc(OCCN2CCOCC2)c2ccccc12
BDBM14843 CC1(CCCCC1)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
BDBM14844 Cc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM14845 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(Cc2ccccc2)n1
BDBM14846 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)C1CCCCC1
BDBM14847 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1cccc(N)c1
BDBM14848 CC(=O)Nc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM14849 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccc(N)cc1
BDBM14850 CC(=O)Nc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM14851 COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM14853 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCS(=O)CC2)c2ccccc12)C(C)(C)C
BDBM14855 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCCCC2)c2ccccc12)C(C)(C)C
BDBM14856 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCNCC2)c2ccccc12)C(C)(C)C
BDBM14857 C[C@H]1CN(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)C[C@@H](C)O1 |r|
BDBM14858 C[C@H]1CN(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)C[C@H](C)O1 |r|
BDBM14859 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCSCC2)c2ccccc12)C(C)(C)C
BDBM14860 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
BDBM14861 COc1ccc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)cc1OC
BDBM14862 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCn2ccnc2)c2ccccc12)C(C)(C)C
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15240 C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
BDBM15241 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1
BDBM15242 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1
BDBM15243 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2C2=CCNCC2)c2c(Cl)cccc2Cl)c(F)c1 |t:19|
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,)|
BDBM15457 COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
BDBM15459 C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
BDBM16316 CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
BDBM16513 Clc1ccccc1Nc1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16514 CCc1ccccc1Nc1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16515 Cc1ccccc1Nc1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16516 COc1ccccc1Nc1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16517 Fc1ccccc1Sc1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16518 Cc1cc(Cl)ccc1-n1nc(Sc2ccc(F)cc2F)ccc1=O
BDBM16519 Cc1cc(Cl)ccc1-n1nc(Sc2ccc(Cl)cc2)ccc1=O
BDBM16520 Cc1ccccc1CNc1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16521 OCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccc(F)cc1Cl
BDBM16522 NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl
BDBM16523 COc1ccc(CNCCCN(c2ccc(=O)n(n2)-c2ccccc2Cl)c2ccccc2Cl)c(OC)c1OC
BDBM16524 Clc1ccccc1N(CCCN1C(=O)c2ccccc2C1=O)c1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16525 Fc1ccc(N(CCCN2C(=O)c3ccccc3C2=O)c2ccc(=O)n(n2)-c2ccccc2Cl)c(Cl)c1
BDBM16526 NCC(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl
BDBM16527 CNCC(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl
BDBM16528 Clc1ccccc1N(CCCNC(=O)C1CCCN1)c1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16529 Clc1ccccc1N(CCCNC(=O)C1CCNCC1)c1ccc(=O)n(n1)-c1ccccc1Cl
BDBM16530 FC(F)(F)C1CCC(CC1)C(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl |(13.52,-3.17,;12.75,-4.5,;14.08,-5.27,;11.98,-5.84,;11.41,-3.73,;11.41,-2.19,;10.08,-1.42,;8.74,-2.19,;8.74,-3.73,;10.08,-4.5,;7.41,-1.42,;7.41,.12,;6.08,-2.19,;4.74,-1.42,;3.41,-2.19,;2.08,-1.42,;.74,-2.19,;-.59,-1.42,;-1.92,-2.19,;-3.26,-1.42,;-3.26,.12,;-4.59,.89,;-1.92,.89,;-.59,.12,;-1.92,2.43,;-.59,3.2,;-.59,4.74,;-1.92,5.51,;-3.26,4.74,;-3.26,3.2,;-4.59,2.43,;.74,-3.73,;-.59,-4.5,;-.59,-6.04,;.74,-6.81,;2.08,-6.04,;2.08,-4.5,;3.41,-3.73,)|
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|
BDBM17056 COc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17057 Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17058 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17059 Oc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17060 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
BDBM17061 CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl
BDBM17062 CSc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17063 CS(=O)(=O)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17064 Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17065 CNc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17066 CN(C)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17067 CC(C)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17068 CC(C)(C)CNc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17069 Clc1ccccc1-c1nc(nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCc2[nH]ncc2C1
BDBM17070 Clc1ccccc1-c1nc(=O)[nH]c2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM17071 COCCNc1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
BDBM17072 CN(C)CCNc1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
BDBM17073 CN(C)CCOc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17074 CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17075 CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
BDBM17076 CC(C)N1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
BDBM17077 Clc1ccccc1-c1nc(NN2CCOCC2)nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM17078 Clc1ccccc1-c1nc(nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCOCC1
BDBM17079 C[C@H]1CN(C[C@@H](C)O1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl |r|
BDBM17080 Clc1ccccc1-c1nc(NC2CN3CCC2CC3)nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl |(1.29,-3.87,;-.05,-4.64,;-.05,-6.18,;-1.38,-6.95,;-2.71,-6.18,;-2.71,-4.64,;-1.38,-3.87,;-1.38,-2.33,;-.04,-1.57,;-.03,-.03,;1.3,.74,;2.84,.74,;3.68,1.98,;5.44,1.98,;6.41,.71,;5.48,-.48,;3.78,-.48,;5.19,.21,;4.58,.89,;-1.36,.75,;-2.7,-.01,;-4.03,.77,;-5.36,.01,;-6.69,.79,;-5.37,-1.53,;-4.05,-2.31,;-2.71,-1.55,;-4.03,2.31,;-5.36,3.08,;-6.69,2.31,;-5.36,4.62,;-4.03,5.39,;-2.69,4.62,;-2.69,3.08,;-1.36,2.31,)|
BDBM17081 CN1C2CCC1CC(C2)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17082 CC(C)N1CCC(CC1)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM17083 CC1(C)CC(CC(C)(C)N1)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
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
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
BDBM26198 CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
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
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM92522 COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC
BDBM92524 COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50053424 Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
BDBM50053410 Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
BDBM50067495 COc1cccc(COc2cc(N)nc3[nH]c(c(-c4ccncc4)c23)-c2ccc(F)cc2)c1
BDBM50071867 CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50071873 CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50071885 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50072400 COc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50072402 Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50072405 Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncn1
BDBM50075778 CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089122 OC1(CCCCCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089123 OC1(CCCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089124 CN1CCC(O)(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089125 CN1CCC(O)(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089126 CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
BDBM50089127 OC1(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089128 CN1CCC(O)(CC1)c1nc(c(s1)-c1ccncc1)-c1ccc(F)cc1
BDBM50089129 CN1CCC(O)(CC1)c1nc(c(o1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089130 OC1(CCCCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089131 CC(C)(C)c1nc(c([nH]1)-c1ccccc1)-c1ccncc1
BDBM50089132 OC1(CCC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089133 CC(C)(O)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50095423 COC(=O)c1sc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
BDBM50091935 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
BDBM50104347 Clc1ccc(cc1)-c1nc(c([nH]1)-c1cccc(c1)-c1ccccc1)-c1ccncc1
BDBM50104348 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)-c1ccccc1
BDBM50104349 Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(I)cc1)-c1ccncc1
BDBM50104350 Cc1cnccc1-c1nc([nH]c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
BDBM50104351 COc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50104352 Nc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50104353 Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(Cl)cc1)-c1ccncc1
BDBM50104354 CC(C)(C)c1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50104355 COC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50104356 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
BDBM50104357 Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50104358 CCCCc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50104359 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(I)cc1
BDBM50104360 Fc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50104361 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1cc(Br)cs1
BDBM50104362 Clc1ccc(cc1)-c1nc(c([nH]1)-c1cccc(Oc2ccccc2)c1)-c1ccncc1
BDBM50104363 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Br)s1
BDBM50104364 Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(cc1)-c1ccccc1)-c1ccncc1
BDBM50104365 CC(C)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50104367 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Br)cc1
BDBM50104368 Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)-c1ccc(Br)cc1
BDBM50104369 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1cccc2ccccc12
BDBM50104370 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1cccc(Br)c1
BDBM50104371 Brc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
BDBM50104372 Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(Oc2ccccc2)cc1)-c1ccncc1
BDBM50104373 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)C#N
BDBM50104374 CCCCOc1ccccc1-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50104375 Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1Oc1ccccc1)-c1ccncc1
BDBM50104376 Fc1ccc(cc1)-c1[nH]c(CCc2ccccc2)nc1-c1ccncc1
BDBM50104377 CCCOc1ccc(-c2[nH]c(nc2-c2ccncc2)-c2ccc(Cl)cc2)c(OCCC)c1
BDBM50104378 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Br)o1
BDBM50104379 CSc1ccc(cc1)-c1nc(c(-c2ccc(F)cc2)n1C)-c1ccncc1
BDBM50104381 CSc1ccc(cc1)-c1nc(c(-c2ccncc2)n1C)-c1ccc(F)cc1
BDBM50104382 Brc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccncc1
BDBM50104384 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1Br
BDBM50104385 CSc1ccc(cc1)-c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
BDBM50105742 COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
BDBM50105619 CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50110104 C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCOCC1)c1ccccc1
BDBM50116024 Fc1ccc(cc1)-c1ncsc1-c1ccncc1
BDBM50116025 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1c(F)c(F)nc(F)c1F
BDBM50116026 Fc1ccc(cc1)-c1[nH]nnc1-c1ccncc1
BDBM50116027 Nc1nc(N)c(F)c(-c2nc(-c3ccco3)c([nH]2)-c2ccncc2)c1F
BDBM50116028 Nc1nc(N)c(F)c(-c2nc(c(s2)-c2ccncc2)-c2ccc(F)cc2)c1F
BDBM50116029 Nc1nc(N)c(F)c(-c2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1F
BDBM50116030 Nc1nc(F)c(F)c(-c2nc(c(o2)-c2ccncc2)-c2ccc(F)cc2)c1F
BDBM50116031 Nc1nc(F)c(F)c(-c2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1F
BDBM50116032 Nc1nc(N)c(F)c(-c2nc(c(o2)-c2ccncc2)-c2ccc(F)cc2)c1F
BDBM50116034 Nc1nc(N)c(F)c(-c2nc(c([nH]2)-c2cccc(c2)C(F)(F)F)-c2ccncc2)c1F
BDBM50116035 Fc1ccc(cc1)-c1nn(nc1-c1ccncc1)-c1c(F)c(F)nc(F)c1F
BDBM50116036 Fc1ccc(cc1)-c1nc(oc1-c1ccncc1)-c1c(F)c(F)nc(F)c1F
BDBM50116037 Nc1nc(N)c(F)c(-c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1F
BDBM50116038 Nc1nc(N)c(F)c(-c2nc(-c3cc4ccccc4o3)c([nH]2)-c2ccncc2)c1F
BDBM50116039 Nc1nc(N)c(F)c(c1F)-n1nc(c(n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50116033 Fc1ccc(cc1)-c1[nH]ccc1-c1ccncc1
BDBM50114250 Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C
BDBM50122372 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50122389 CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
BDBM50122391 Clc1ccccc1-c1cc(NC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
BDBM50122994 Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50122995 COC[C@H](C)Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1 |r|
BDBM50122996 C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
BDBM50122997 C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
BDBM50122998 CSc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
BDBM50122999 COc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
BDBM50123000 Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccnc(N[C@H]2CCCc3ccccc23)c1
BDBM50123001 Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccncn1
BDBM50123002 Fc1ccc(cc1)-c1[nH]c2ccc3[nH]c(Cc4ccccc4)nc3c2c1-c1ccncc1
BDBM50123003 Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
BDBM50123004 C[C@@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
BDBM50122908 Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9|
BDBM50122910 Fc1ccc(cc1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(-4.28,-10.03,;-3.48,-8.71,;-4.22,-7.36,;-3.43,-6.05,;-1.89,-6.08,;-1.14,-7.42,;-1.94,-8.74,;-1.1,-4.75,;.4,-5.08,;1.17,-3.75,;2.67,-3.44,;3.16,-1.98,;2.13,-.83,;.62,-1.14,;.15,-2.6,;-1.27,-3.22,;-2.6,-2.44,;-3.93,-3.21,;-5.26,-2.43,;-5.26,-.9,;-6.59,-.13,;-3.92,-.13,;-2.59,-.9,;-3.92,1.41,;-5.25,2.18,;-6.59,1.41,;-5.25,3.72,;-3.92,4.49,;-2.59,3.73,;-2.58,2.18,;-1.25,1.41,)|
BDBM50122911 Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(Cl)c1 |t:16|
BDBM50122912 Clc1cccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c1Cl |(7.11,-11.19,;6.94,-9.65,;5.53,-9.02,;5.38,-7.48,;6.63,-6.58,;8.03,-7.22,;9.28,-6.33,;10.74,-6.8,;11.65,-5.57,;13.18,-5.42,;13.81,-4.02,;12.91,-2.76,;11.38,-2.92,;10.75,-4.3,;9.28,-4.79,;7.96,-4,;6.62,-4.77,;5.29,-3.99,;5.3,-2.46,;3.97,-1.68,;6.63,-1.69,;7.97,-2.45,;6.63,-.15,;7.97,.62,;9.3,-.15,;7.97,2.16,;6.63,2.93,;5.3,2.16,;5.3,.62,;3.95,-.15,;8.18,-8.74,;9.6,-9.37,)|
BDBM50122913 Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F
BDBM50122914 Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9|
BDBM50122915 Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16|
BDBM50122916 Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl
BDBM50122917 Clc1cccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c1Cl |t:17|
BDBM50122918 Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(F)c1 |(2.09,-8.15,;3.43,-7.39,;3.28,-5.85,;4.53,-4.95,;5.93,-5.59,;7.18,-4.69,;8.64,-5.17,;9.55,-3.93,;11.08,-3.78,;11.71,-2.38,;10.81,-1.13,;9.28,-1.28,;8.65,-2.67,;7.18,-3.15,;5.86,-2.37,;4.51,-3.14,;3.18,-2.36,;3.2,-.83,;1.87,-.05,;4.53,-.05,;5.87,-.82,;4.53,1.49,;5.87,2.26,;7.2,1.49,;5.87,3.8,;4.53,4.57,;3.2,3.8,;3.2,2.26,;1.85,1.49,;6.08,-7.11,;7.5,-7.74,;4.84,-8.02,)|
BDBM50122919 Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2ccccc2Cl)c(Cl)c1 |t:16|
BDBM50122920 Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl
BDBM50122921 FC(F)(F)c1cccc(c1)-c1nc2ccccn2c1C1=NN(C(=O)CC1)c1ccccc1Cl |t:22|
BDBM50122922 Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)|
BDBM50122923 Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2ccccc2Cl)c(Cl)c1
BDBM50122924 FC(F)(F)c1cccc(c1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1ccccc1Cl
BDBM50122925 FC(F)(F)c1cccc(c1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(10.07,-19.59,;9.93,-18.19,;8.79,-19.34,;11.28,-19.08,;9.77,-16.67,;8.36,-16.04,;8.2,-14.5,;9.45,-13.59,;10.86,-14.24,;11,-15.77,;12.1,-13.34,;13.56,-13.83,;14.47,-12.59,;16,-12.43,;16.63,-11.03,;15.73,-9.78,;14.2,-9.93,;13.57,-11.33,;12.1,-11.8,;10.79,-11.02,;9.44,-11.79,;8.11,-11,;8.12,-9.48,;6.79,-8.69,;9.45,-8.72,;10.79,-9.46,;9.45,-7.17,;8.12,-6.4,;6.78,-7.17,;8.12,-4.86,;9.45,-4.09,;10.79,-4.86,;10.79,-6.4,;12.12,-7.17,)|
BDBM50126732 CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
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
BDBM50135291 CN(C)CCNC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135292 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2ccccc2Cl)cc1
BDBM50135293 COC(=O)c1cc(C)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135294 Cc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc12
BDBM50135298 Cc1cccc(C)c1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135299 NC(=O)Oc1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135300 Nc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135301 Clc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccccc3)ccc12
BDBM50135303 Clc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135304 Clc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(Cl)c1
BDBM50135305 Nc1cc(F)ccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135308 CCc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc12
BDBM50135309 Cc1ccccc1N1C(=O)NCc2nc(Sc3ccc(F)cc3Cl)ccc12
BDBM50135310 Clc1cccc(Cl)c1N1C(=O)NCc2nc(NCc3ccccc3)ccc12
BDBM50135311 CC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135312 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(Cl)c1
BDBM50135313 COC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135315 COc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135316 OC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc23)c(Cl)c1
BDBM50135318 Cc1ccccc1Sc1ccc2N(C(=O)NCc2n1)c1c(Cl)cccc1Cl
BDBM50135319 Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2C(F)(F)F)cc1
BDBM50135322 Clc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccccc3Br)ccc12
BDBM50138261 Fc1ccc(Nc2ccc3N(C(=O)NCc3c2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50138262 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2N(C(=O)NCc2c1)c1c(Cl)cccc1Cl
BDBM50138263 CN(c1ccc2N(C(=O)NCc2c1)c1c(Cl)cccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
BDBM50138264 Fc1ccc(Sc2ccc3N(C(=O)NCc3c2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50138265 Clc1cccc(Cl)c1N1C(=O)NCc2cc(NC(=O)c3ccccc3)ccc12
BDBM50138266 Clc1ccccc1S(=O)(=O)Nc1ccc2N(C(=O)NCc2c1)c1c(Cl)cccc1Cl
BDBM50138267 Clc1cccc(Cl)c1N1C(=O)NCc2cc(NS(=O)(=O)c3ccccc3)ccc12
BDBM50138268 Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc2N(C(=O)NCc2c1)c1c(Cl)cccc1Cl
BDBM50138269 Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2N(C(=O)NCc2c1)c1c(Cl)cccc1Cl
BDBM50138271 Clc1cccc(Cl)c1N1C(=O)NCc2cc(NCc3ccccc3)ccc12
BDBM50138272 Fc1ccc(cc1Cl)S(=O)(=O)Nc1ccc2N(C(=O)NCc2c1)c1c(Cl)cccc1Cl
BDBM50138273 COc1cc2c(nc(=O)n(C(C)C)c2cc1N1CCOCC1)-c1ccccc1
BDBM50138270 Clc1cccc(Cl)c1N1C(=O)NCc2ccccc12
BDBM50151366 C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
BDBM50148690 OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
BDBM50148691 C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1(O)CCN(C)CC1)c1ccccc1
BDBM50148692 CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
BDBM50148693 C[C@H](Nc1cc(ccn1)-c1nc([nH]c1-c1ccc(F)cc1)C1(O)CCN(C)CC1)c1ccccc1
BDBM50148694 CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1
BDBM50148695 C[C@H](Nc1cc(ccn1)-c1oc(nc1-c1ccc(F)cc1)C1(O)CCN(C)CC1)c1ccccc1
BDBM50148696 C[C@H](Nc1nccc(n1)-n1c(nc2nc(ccc12)N1CCN(C)CC1)-c1ccc(F)cc1)c1ccccc1
BDBM50148697 C[C@H](Nc1nccc(n1)-c1oc(nc1-c1ccc(F)cc1)C1(O)CCN(C)CC1)c1ccccc1
BDBM50148698 FC(F)(F)c1cccc(c1)-c1nc(cn1-c1ccnc(NC2CCCCC2)n1)C1CCNCC1
BDBM50148699 C[C@H](Nc1nccc(n1)-n1cc(nc1-c1ccc(F)cc1)C1(O)CCN(C)CC1)c1ccccc1
BDBM50148700 C[C@H](Nc1nccc(n1)-c1nc([nH]c1-c1ccc(F)cc1)C1(O)CCN(C)CC1)c1ccccc1
BDBM50148701 OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)n1)-c1ccc(F)cc1
BDBM50148702 Fc1ccc(cc1)-c1nc(cn1-c1ccnc(NC2CCCCC2)n1)C1CCNCC1
BDBM50148703 OC1(CCNCC1)c1nc(c(s1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
BDBM50148704 Cc1nc2cc(Cl)c(cc2[nH]1)C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
BDBM50148705 COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
BDBM50148706 CC(C)(N)C#Cc1ccc(Cl)c(c1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
BDBM50148707 Fc1ccc(Nc2ccc(cc2)C(=O)c2ccccc2Cl)c(F)c1
BDBM50148708 COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
BDBM50148709 COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
BDBM50148710 Fc1ccc(Nc2ccc(cn2)C(=O)c2cc(Br)ccc2Cl)c(F)c1
BDBM50148711 COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1)C#CC(C)(C)N
BDBM50148712 COc1ccccc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
BDBM50148713 COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1)C#CC(C)(C)O
BDBM50148714 COc1ccc(CCC(C)(C)O)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
BDBM50148715 Cc1nc2cc(Cl)c(cc2[nH]1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
BDBM50148716 CC(C)(N)C#Cc1ccc(Cl)c(c1)C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
BDBM50148717 Fc1ccc(Nc2ccc(cn2)C(=O)c2ccccc2Cl)c(F)c1
BDBM50148718 COc1ccc(CCC2(O)CCN(C)CC2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
BDBM50148719 CC(C)(N)CCc1ccc(Cl)c(c1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
BDBM50148720 COc1ccc(\C=C\C2(O)CCN(C)CC2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
BDBM50148721 COc1ccc(CCC(C)(C)N)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
BDBM50153835 CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50164228 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1
BDBM50164232 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
BDBM50164233 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl
BDBM50164236 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C
BDBM50173609 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
BDBM50175196 COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)|
BDBM50175745 CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(5.3,.54,;3.97,-.23,;4.75,-1.56,;3.2,1.1,;2.64,-1,;2.64,-2.54,;1.31,-3.31,;-.03,-2.54,;-.04,-1.01,;1.3,-.23,;-1.36,-3.31,;-1.35,-4.86,;-2.69,-5.64,;-2.69,-7.17,;-4.03,-7.94,;-4.03,-9.48,;-2.69,-10.25,;-2.69,-11.79,;-1.35,-9.47,;-1.36,-7.94,;-.03,-7.16,;-4.03,-4.86,;-5.36,-5.63,;-6.69,-4.85,;-6.69,-3.31,;-8.02,-2.53,;-5.34,-2.55,;-5.33,-1.01,;-6.66,-.24,;-8,-1,;-6.66,1.3,;-5.31,2.07,;-3.98,1.29,;-3.99,-.25,;-2.67,-1.03,;-4.02,-3.32,;-2.69,-2.55,)|
BDBM50175994 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12)C(=O)NC1CCCC1
BDBM50175995 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CCN(C)C
BDBM50175996 COc1ccc(CNC2CCOCC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12
BDBM50175997 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12)C(O)=O
BDBM50175998 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12)C#CC(C)(C)O
BDBM50175999 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CC(C)(C)O
BDBM50176000 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CC(C)(C)N
BDBM50176001 COc1ccc(CCC(C)(C)O)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12
BDBM50176002 COc1ccc(CCC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12
BDBM50176003 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CCN1CCN(C)CC1
BDBM50176004 COc1ccc(CCC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12
BDBM50176005 COc1ccc(CCCN2CCN(C)CC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12
BDBM50176006 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12)C#CC(C)(C)N
BDBM50176007 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12)C#CC(C)(C)N
BDBM50176008 COc1ccc(CCC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12
BDBM50176009 COc1ccc(CCC(C)(C)O)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12
BDBM50176010 COc1ccc(CCCN(C)C)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12
BDBM50176011 COc1ccc(CNC2CCCC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12
BDBM50176012 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12)C(=O)N1CCNCC1
BDBM50176013 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12)C(=O)NC1CCOCC1
BDBM50183831 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1C(N)=O
BDBM50183832 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC1
BDBM50183833 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1CC(N)=O
BDBM50183834 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O
BDBM50183835 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O
BDBM50183836 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC(C1)C(N)=O
BDBM50183837 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O
BDBM50183838 COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O
BDBM50183839 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCN(C)CC1C(N)=O
BDBM50183840 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O
BDBM50183841 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
BDBM50183842 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O
BDBM50183843 COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
BDBM50183844 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O
BDBM50183845 CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
BDBM50183846 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(CC1)C(C)C)C(N)=O
BDBM50183847 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O
BDBM50183848 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CN(C)C)C(N)=O
BDBM50183849 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O
BDBM50183850 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O
BDBM50183851 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(=O)N(C)C
BDBM50183852 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
BDBM50183853 COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
BDBM50183854 CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
BDBM50183855 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(CCN(C)C)[C@@H](C)C(N)=O
BDBM50183856 COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
BDBM50183857 CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(N)=O
BDBM50183858 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O
BDBM50183859 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC[C@@H](C1)C(N)=O
BDBM50183860 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(=O)N(C)C
BDBM50183861 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
BDBM50183862 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O
BDBM50183863 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@H]1C(N)=O
BDBM50183864 COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50189603 Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50194461 Nc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(15,-16.28,;13.66,-17.04,;12.34,-16.27,;11.01,-17.03,;9.67,-16.27,;9.67,-14.73,;11.01,-13.96,;12.35,-14.72,;11.01,-12.4,;9.67,-11.64,;8.34,-12.41,;8.34,-13.96,;7,-14.73,;8.34,-17.03,;7.01,-16.26,;8.34,-18.57,;9.67,-19.35,;11,-18.57,;12.32,-19.35,;13.66,-18.59,;12.31,-20.89,;10.97,-21.64,;10.96,-23.18,;12.29,-23.96,;12.28,-25.51,;13.63,-23.19,;13.64,-21.66,;14.97,-20.89,)|
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50236473 CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50252777 CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
BDBM50027095 Cc1nc(c(o1)-c1ccncc1)-c1ccccc1
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50263167 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50263093 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
BDBM50266947 C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r|
BDBM50296636 Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
BDBM50303639 CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
BDBM50303646 Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
BDBM50302943 OCCC#Cc1nc(c(-c2ccncc2)n1C#C)-c1ccc(F)cc1
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
BDBM50314776 Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
BDBM50315102 CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50315103 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(C)c1
BDBM50315104 OCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315105 COCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315106 COCCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315107 NS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315108 CS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315109 OC(=O)CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315110 CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315111 OCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315112 COCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315113 CN(C)CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315114 CN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315115 OCCN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315116 CC(C)(CO)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315117 CC(C)(O)CN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315118 Clc1ccc(cc1)-c1n[nH]c(C2CCN(CC2)C2CCOC2)c1-c1ccncn1
BDBM50315119 Clc1ccc(cc1)-c1n[nH]c(C2CCN(CC2)C2CCOCC2)c1-c1ccncn1
BDBM50315120 O[C@H]1CCC[C@@H]1N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1 |r|
BDBM50315121 Clc1ccc(cc1)-c1n[nH]c(C2CCN(Cc3ccncc3)CC2)c1-c1ccncn1
BDBM50315122 CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315123 OCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315124 COCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315125 CN(C)C(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315126 CS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
BDBM50315127 Fc1ccc(cc1)-c1n[nH]c(C2CCCNC2)c1-c1ccncc1
BDBM50315128 CN1CCCC(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50315129 Fc1ccc(cc1)-c1n[nH]c(C2CCNCC2)c1-c1ccncc1
BDBM50315130 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
BDBM50315131 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
BDBM50315132 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(Cl)c1
BDBM50315133 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(cc1)C(F)(F)F
BDBM50315134 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(c1)C(F)(F)F
BDBM50315135 CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(C)cc1
BDBM50317579 Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)|
BDBM50317580 Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cc(cc3F)C#N)c(=O)ccn12 |(-4.26,-27.22,;-4.26,-25.67,;-5.59,-24.9,;-5.59,-23.36,;-4.25,-22.59,;-2.92,-23.36,;-1.59,-22.59,;-2.92,-24.9,;-4.25,-21.05,;-2.92,-20.29,;-2.92,-18.74,;-4.25,-17.98,;-5.58,-18.75,;-6.91,-17.97,;-6.91,-16.43,;-5.57,-15.66,;-4.23,-16.43,;-5.57,-14.12,;-6.9,-13.35,;-8.24,-14.13,;-8.24,-15.66,;-9.57,-16.44,;-6.91,-11.8,;-6.91,-10.26,;-8.24,-18.75,;-9.57,-17.98,;-8.24,-20.29,;-6.91,-21.05,;-5.58,-20.29,)|
BDBM50317581 NC(=O)c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(11.61,-11.1,;10.28,-11.88,;8.94,-11.11,;10.28,-13.42,;11.62,-14.19,;11.62,-15.73,;12.95,-16.5,;10.28,-16.5,;8.95,-15.73,;7.62,-16.51,;8.94,-14.2,;10.28,-18.04,;11.61,-18.82,;12.93,-18.05,;14.26,-18.81,;14.26,-20.35,;12.93,-21.12,;12.93,-22.66,;11.59,-23.43,;11.59,-24.97,;12.93,-25.74,;12.93,-27.28,;14.27,-24.96,;14.26,-23.43,;15.59,-22.65,;11.61,-20.35,;10.28,-21.12,;8.95,-20.36,;8.95,-18.82,;7.61,-18.05,)|
BDBM50317582 COC(=O)c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(27.64,-9.08,;27.64,-10.62,;26.31,-11.39,;24.97,-10.62,;26.31,-12.93,;27.65,-13.7,;27.65,-15.24,;28.98,-16.01,;26.31,-16.01,;24.98,-15.25,;23.65,-16.02,;24.97,-13.71,;26.31,-17.55,;27.64,-18.33,;28.96,-17.56,;30.29,-18.32,;30.29,-19.86,;28.96,-20.63,;28.96,-22.17,;27.62,-22.94,;27.62,-24.48,;28.96,-25.25,;28.96,-26.79,;30.29,-24.47,;30.29,-22.94,;31.62,-22.16,;27.63,-19.86,;26.31,-20.63,;24.98,-19.87,;24.98,-18.33,;23.64,-17.56,)|
BDBM50317583 Cc1nnc(o1)-c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(-7.52,-29.92,;-6.62,-31.17,;-5.08,-31.17,;-4.6,-32.63,;-5.84,-33.54,;-7.09,-32.63,;-5.85,-35.08,;-4.51,-35.86,;-4.51,-37.39,;-3.18,-38.17,;-5.85,-38.16,;-7.18,-37.4,;-8.51,-38.17,;-7.19,-35.86,;-5.85,-39.7,;-4.52,-40.48,;-3.2,-39.71,;-1.87,-40.47,;-1.87,-42.02,;-3.2,-42.78,;-3.2,-44.32,;-4.53,-45.09,;-4.54,-46.63,;-3.2,-47.4,;-3.2,-48.94,;-1.86,-46.62,;-1.87,-45.09,;-.54,-44.31,;-4.52,-42.02,;-5.85,-42.78,;-7.18,-42.02,;-7.18,-40.48,;-8.52,-39.71,)|
BDBM50317584 Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cc(cc3F)-c3nnco3)c(=O)ccn12 |(13.24,-49.18,;13.24,-47.64,;11.91,-46.86,;11.91,-45.32,;13.25,-44.56,;14.58,-45.32,;15.91,-44.55,;14.58,-46.86,;13.25,-43.02,;14.58,-42.25,;14.57,-40.71,;13.25,-39.95,;11.92,-40.71,;10.59,-39.94,;10.59,-38.4,;11.93,-37.63,;13.26,-38.4,;11.93,-36.09,;10.6,-35.32,;9.26,-36.1,;9.26,-37.63,;7.93,-38.41,;10.6,-33.77,;11.84,-32.86,;11.37,-31.4,;9.83,-31.4,;9.35,-32.87,;9.26,-40.71,;7.93,-39.95,;9.26,-42.25,;10.59,-43.02,;11.92,-42.25,)|
BDBM50317585 Nc1nnc(o1)-c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(24.64,-30.2,;25.55,-31.45,;27.09,-31.45,;27.57,-32.91,;26.32,-33.82,;25.07,-32.92,;26.32,-35.37,;27.65,-36.14,;27.65,-37.68,;28.99,-38.45,;26.32,-38.45,;24.99,-37.68,;23.65,-38.45,;24.98,-36.14,;26.32,-39.98,;27.64,-40.76,;28.97,-40,;30.3,-40.76,;30.3,-42.3,;28.97,-43.07,;28.97,-44.6,;27.63,-45.37,;27.63,-46.91,;28.96,-47.68,;28.96,-49.22,;30.3,-46.91,;30.3,-45.37,;31.63,-44.6,;27.64,-42.3,;26.32,-43.06,;24.99,-42.3,;24.99,-40.76,;23.65,-40,)|
BDBM50317586 Cc1noc(n1)-c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(-6.22,6.86,;-7.12,5.61,;-8.66,5.61,;-9.14,4.14,;-7.89,3.24,;-6.64,4.15,;-7.89,1.69,;-6.56,.92,;-6.56,-.62,;-5.22,-1.39,;-7.89,-1.39,;-9.22,-.62,;-10.56,-1.4,;-9.23,.91,;-7.9,-2.92,;-6.57,-3.7,;-5.24,-2.94,;-3.92,-3.7,;-3.91,-5.24,;-5.24,-6.01,;-5.24,-7.54,;-6.58,-8.31,;-6.58,-9.85,;-5.25,-10.62,;-5.25,-12.16,;-3.91,-9.85,;-3.91,-8.31,;-2.58,-7.54,;-6.57,-5.24,;-7.9,-6,;-9.22,-5.24,;-9.22,-3.7,;-10.56,-2.94,)|
BDBM50317587 Fc1ccc(c(F)c1)-c1cccc2c(-c3cc(ccc3F)-c3nnco3)c(=O)ccn12 |(12.42,-9.58,;12.42,-8.04,;11.08,-7.27,;11.09,-5.73,;12.43,-4.96,;13.76,-5.73,;15.09,-4.95,;13.76,-7.26,;12.43,-3.42,;13.76,-2.65,;13.75,-1.11,;12.42,-.35,;11.1,-1.11,;9.77,-.33,;9.77,1.21,;11.11,1.97,;11.11,3.51,;9.77,4.29,;8.43,3.51,;8.44,1.97,;7.11,1.2,;12.44,4.28,;13.91,3.83,;14.8,5.09,;13.87,6.32,;12.42,5.83,;8.44,-1.11,;7.1,-.35,;8.44,-2.65,;9.77,-3.42,;11.1,-2.65,)|
BDBM50317588 Cc1nnc(o1)-c1ccc(F)c(c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(31.09,6.57,;30.64,5.09,;31.57,3.86,;30.68,2.6,;29.21,3.05,;29.18,4.59,;27.88,2.28,;26.54,3.06,;25.2,2.28,;25.21,.74,;23.87,-.03,;26.54,-.02,;27.87,.74,;26.54,-1.56,;27.87,-2.34,;29.19,-1.58,;30.52,-2.34,;30.52,-3.88,;29.19,-4.65,;29.19,-6.19,;27.85,-6.96,;27.85,-8.5,;29.19,-9.27,;29.19,-10.81,;30.53,-8.49,;30.52,-6.95,;31.85,-6.18,;27.86,-3.88,;26.54,-4.65,;25.21,-3.88,;25.21,-2.34,;23.87,-1.58,)|
BDBM50323516 Fc1ccc(cc1)-c1[nH]cc(c1-c1ccncc1)C1=C[C@@H]2CCCN2CC1 |r,t:21|
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|
BDBM50314071 NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
BDBM50314073 CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
BDBM50313107 Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)|
BDBM50314070 Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50341519 CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
BDBM50341342 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341346 C[C@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r|
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50344123 C[C@H](CS(C)(=O)=O)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12 |r|
BDBM50343673 NS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM50343674 O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1
BDBM50346918 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
BDBM50346919 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(C)c1=O)C(=O)NCCO
BDBM50346920 CCc1c(OCc2ccc(F)cc2F)ncn(-c2cc(ccc2C)C(=O)NCCO)c1=O
BDBM50357884 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
BDBM50348880 Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1
BDBM50359359 CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
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|
BDBM50361467 CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(n1)-c1ccc(O)c(Cl)c1
BDBM50373946 CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C
BDBM50373947 CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(Cl)cccc1Cl
BDBM50373949 CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C
BDBM50373950 CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1Cl
BDBM50373951 CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C
BDBM50373952 CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)-c1c(Cl)cccc1Cl
BDBM50373953 CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)C(C)(C)C
BDBM50373954 CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl
BDBM50373955 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(C)nc1-c1ccc(F)cc1F
BDBM50373956 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc(C)[nH]c1-c1ccc(F)cc1
BDBM50373958 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(Cl)cccc1Cl
BDBM50373959 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1C(F)(F)F
BDBM50373960 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1Cl
BDBM50373961 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1ccccc1C(F)(F)F
BDBM50373962 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1ccc(Cl)cc1
BDBM50373963 CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1ccncc1
BDBM50373966 CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
BDBM50373967 CC(C)Cn1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
BDBM50373968 CC(C)S(=O)(=O)n1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
BDBM50373970 CC(C)(C)Cn1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
BDBM50373972 CC(C)Cn1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
BDBM50373976 Fc1cccc(F)c1-c1nc(c([nH]1)-c1ccccc1)-c1ccc2nc[nH]c2c1
BDBM50376227 CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3n(ncc23)-c2ccccc2)c1
BDBM50390259 CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
BDBM50390260 CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
BDBM50390262 NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
BDBM50396845 Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50404281 C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1
BDBM50411445 Oc1ccc(NC(=O)CCCc2ccc(cc2)-c2ccccc2F)cc1
BDBM50418606 Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1
BDBM50418607 CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
BDBM50418610 Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1
BDBM50421125 Fc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ccn3n2)c(F)c1 |(-3.31,-9.21,;-3.32,-7.66,;-4.65,-6.9,;-4.66,-5.36,;-3.32,-4.59,;-3.33,-3.04,;-4.67,-2.28,;-4.68,-.74,;-6,.02,;-7.32,-.75,;-8.65,.01,;-8.66,1.55,;-9.99,2.32,;-11.34,1.55,;-9.99,3.87,;-8.66,4.64,;-7.32,3.88,;-7.32,2.32,;-5.98,1.56,;-9.99,-.75,;-11.33,.02,;-9.99,-2.29,;-8.66,-3.07,;-7.32,-2.28,;-5.99,-3.05,;-1.99,-5.34,;-.66,-4.56,;-1.98,-6.88,)|
BDBM50421126 Fc1ccc(Oc2ccc3c(-c4ccccc4F)c(=O)ccn3n2)c(F)c1 |(32.52,-8.2,;32.51,-6.66,;31.17,-5.89,;31.17,-4.35,;32.5,-3.58,;32.5,-2.04,;31.16,-1.27,;31.15,.27,;29.82,1.02,;28.5,.25,;27.17,1.02,;27.17,2.56,;28.51,3.33,;28.5,4.88,;27.17,5.64,;25.84,4.87,;25.84,3.33,;24.5,2.56,;25.84,.25,;24.5,1.02,;25.84,-1.29,;27.17,-2.06,;28.51,-1.28,;29.83,-2.04,;33.84,-4.34,;35.16,-3.56,;33.85,-5.88,)|
BDBM50421127 COC(=O)c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(41.55,3.13,;41.54,4.67,;40.21,5.43,;40.2,6.97,;38.87,4.66,;37.54,5.42,;36.21,4.65,;36.21,3.11,;34.87,2.34,;37.54,2.34,;38.88,3.11,;37.55,.8,;38.88,.04,;40.19,.8,;41.52,.05,;41.53,-1.49,;42.86,-2.26,;42.87,-3.8,;41.54,-4.57,;41.54,-6.11,;42.88,-6.87,;42.89,-8.41,;44.21,-6.09,;44.2,-4.55,;45.53,-3.78,;40.2,-2.26,;38.88,-1.5,;37.54,-2.28,;36.21,-1.51,;36.21,.03,;34.88,.8,)|
BDBM50421128 Cc1nnc(o1)-c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(-2.47,-10.49,;-2.95,-11.95,;-2.04,-13.2,;-2.96,-14.44,;-4.42,-13.96,;-4.41,-12.42,;-5.68,-14.86,;-7.01,-14.09,;-8.34,-14.86,;-8.34,-16.41,;-9.68,-17.18,;-7.01,-17.18,;-5.67,-16.41,;-7.01,-18.71,;-5.68,-19.48,;-4.36,-18.71,;-3.03,-19.47,;-3.02,-21.01,;-1.69,-21.77,;-1.68,-23.31,;-3.02,-24.08,;-3.01,-25.62,;-1.67,-26.39,;-1.66,-27.93,;-.34,-25.6,;-.35,-24.07,;.98,-23.29,;-4.35,-21.77,;-5.67,-21.01,;-7.01,-21.79,;-8.34,-21.02,;-8.34,-19.48,;-9.67,-18.71,)|
BDBM50421129 CCCNC(=O)c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(11.3,-12.29,;9.97,-13.06,;8.64,-12.3,;7.3,-13.07,;5.97,-12.31,;5.96,-10.77,;4.64,-13.08,;3.3,-12.32,;1.97,-13.09,;1.97,-14.63,;.64,-15.4,;3.31,-15.41,;4.64,-14.63,;3.31,-16.94,;4.64,-17.71,;5.95,-16.94,;7.28,-17.69,;7.29,-19.23,;8.63,-20,;8.63,-21.54,;7.3,-22.31,;7.3,-23.85,;8.64,-24.61,;8.65,-26.15,;9.98,-23.83,;9.96,-22.3,;11.29,-21.52,;5.96,-20,;4.64,-19.24,;3.3,-20.02,;1.97,-19.25,;1.97,-17.71,;.64,-16.94,)|
BDBM50421130 Fc1ccc(Oc2ccc3c(-c4cc(ccc4F)C(=O)NC4CC4)c(=O)ccn3n2)c(F)c1 |(20.66,-26.79,;20.65,-25.25,;19.31,-24.49,;19.31,-22.95,;20.64,-22.18,;20.64,-20.64,;19.3,-19.87,;19.29,-18.33,;17.96,-17.58,;16.65,-18.34,;15.32,-17.58,;15.31,-16.04,;16.65,-15.27,;16.65,-13.72,;15.31,-12.96,;13.98,-13.73,;13.98,-15.27,;12.65,-16.04,;17.98,-12.95,;17.97,-11.41,;19.31,-13.71,;20.64,-12.94,;22.18,-12.93,;21.41,-11.6,;13.98,-18.35,;12.65,-17.58,;13.98,-19.89,;15.31,-20.66,;16.65,-19.88,;17.97,-20.64,;21.97,-22.93,;23.3,-22.15,;21.99,-24.47,)|
BDBM50421131 Fc1ccc(Oc2ccc3c(-c4cc(ccc4F)C(=O)N4CCCC4)c(=O)ccn3n2)c(F)c1 |(31.97,-26.04,;31.96,-24.5,;30.62,-23.73,;30.62,-22.19,;31.95,-21.42,;31.94,-19.88,;30.61,-19.12,;30.6,-17.58,;29.27,-16.82,;27.96,-17.59,;26.63,-16.82,;26.62,-15.29,;27.96,-14.52,;27.95,-12.97,;26.62,-12.2,;25.29,-12.97,;25.29,-14.52,;23.95,-15.29,;29.29,-12.19,;29.28,-10.65,;30.62,-12.96,;30.8,-14.49,;32.3,-14.8,;33.07,-13.46,;32.03,-12.32,;25.29,-17.59,;23.96,-16.82,;25.29,-19.13,;26.62,-19.9,;27.96,-19.12,;29.28,-19.88,;33.28,-22.18,;34.61,-21.4,;33.29,-23.71,)|
BDBM50421132 CCCNC(=O)c1ccc(C=C)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(1.15,-29.44,;-.18,-30.21,;-1.51,-29.45,;-2.85,-30.22,;-4.18,-29.46,;-4.19,-27.92,;-5.51,-30.23,;-6.85,-29.47,;-8.18,-30.24,;-8.18,-31.78,;-9.51,-32.55,;-10.85,-31.78,;-6.84,-32.56,;-5.51,-31.78,;-6.84,-34.09,;-5.51,-34.86,;-4.2,-34.09,;-2.87,-34.84,;-2.86,-36.38,;-1.52,-37.15,;-1.52,-38.69,;-2.85,-39.46,;-2.85,-41,;-1.51,-41.76,;-1.5,-43.3,;-.17,-40.98,;-.19,-39.45,;1.14,-38.67,;-4.19,-37.15,;-5.51,-36.39,;-6.85,-37.17,;-8.18,-36.4,;-8.18,-34.86,;-9.51,-34.09,)|
BDBM50421133 Fc1ccc(Oc2ccc3c(-c4cc(ccc4C=C)C(=O)NC4CC4)c(=O)ccn3n2)c(F)c1 |(13.19,-41.38,;13.18,-39.84,;11.85,-39.08,;11.84,-37.54,;13.17,-36.77,;13.17,-35.23,;11.83,-34.46,;11.82,-32.92,;10.5,-32.17,;9.18,-32.93,;7.85,-32.17,;7.85,-30.63,;9.18,-29.86,;9.18,-28.31,;7.84,-27.55,;6.52,-28.32,;6.51,-29.86,;5.18,-30.63,;3.85,-29.86,;10.51,-27.54,;10.5,-26,;11.85,-28.3,;13.18,-27.53,;14.72,-27.52,;13.94,-26.19,;6.51,-32.94,;5.18,-32.17,;6.51,-34.48,;7.85,-35.25,;9.18,-34.47,;10.51,-35.23,;14.51,-37.52,;15.84,-36.75,;14.52,-39.06,)|
BDBM50421134 CCCNC(=O)c1ccc(CC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(28.02,-27.74,;26.69,-28.52,;25.36,-27.75,;24.03,-28.53,;22.69,-27.76,;22.68,-26.22,;21.36,-28.54,;20.02,-27.77,;18.7,-28.54,;18.69,-30.09,;17.36,-30.86,;16.03,-30.09,;20.03,-30.86,;21.36,-30.09,;20.03,-32.4,;21.36,-33.16,;22.68,-32.39,;24,-33.15,;24.01,-34.69,;25.35,-35.45,;25.35,-36.99,;24.02,-37.76,;24.03,-39.3,;25.36,-40.07,;25.37,-41.61,;26.7,-39.29,;26.69,-37.75,;28.02,-36.97,;22.69,-35.46,;21.36,-34.69,;20.03,-35.47,;18.69,-34.7,;18.69,-33.16,;17.36,-32.39,)|
BDBM50421135 CCc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)C(=O)NC1CC1 |(31.2,-29.1,;32.53,-29.87,;33.87,-29.1,;33.87,-27.56,;35.2,-26.79,;36.53,-27.55,;36.54,-29.1,;35.2,-29.87,;35.2,-31.41,;36.53,-32.17,;37.85,-31.41,;39.18,-32.16,;39.19,-33.7,;40.52,-34.46,;40.53,-36,;39.19,-36.78,;39.2,-38.31,;40.54,-39.08,;40.55,-40.62,;41.87,-38.3,;41.86,-36.76,;43.19,-35.98,;37.86,-34.47,;36.54,-33.71,;35.2,-34.49,;33.87,-33.71,;33.87,-32.18,;32.54,-31.4,;37.86,-26.77,;37.86,-25.23,;39.2,-27.54,;40.53,-26.76,;42.07,-26.76,;41.29,-25.43,)|
BDBM50421136 COc1ccccc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(-12.43,-43.9,;-11.09,-44.67,;-9.75,-43.9,;-9.75,-42.36,;-8.42,-41.59,;-7.08,-42.35,;-7.08,-43.9,;-8.42,-44.68,;-8.41,-46.21,;-7.08,-46.98,;-5.76,-46.21,;-4.44,-46.97,;-4.43,-48.51,;-3.09,-49.27,;-3.08,-50.81,;-4.42,-51.59,;-4.41,-53.13,;-3.08,-53.89,;-3.07,-55.44,;-1.74,-53.11,;-1.75,-51.57,;-.42,-50.79,;-5.75,-49.28,;-7.08,-48.51,;-8.42,-49.3,;-9.75,-48.52,;-9.75,-46.98,;-11.09,-46.21,)|
BDBM50421137 COC(=O)c1ccc(OC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(7.25,-42.41,;5.92,-43.19,;4.58,-42.42,;4.58,-40.88,;3.25,-43.2,;1.92,-42.43,;.59,-43.21,;.59,-44.75,;-.75,-45.52,;-2.08,-44.75,;1.92,-45.52,;3.26,-44.75,;1.92,-47.06,;3.25,-47.82,;4.57,-47.05,;5.9,-47.81,;5.91,-49.35,;7.24,-50.11,;7.25,-51.65,;5.91,-52.42,;5.92,-53.96,;7.26,-54.73,;7.26,-56.27,;8.59,-53.95,;8.58,-52.41,;9.91,-51.63,;4.58,-50.12,;3.25,-49.35,;1.92,-50.14,;.59,-49.36,;.59,-47.83,;-.75,-47.05,)|
BDBM50421138 CCCNC(=O)c1ccc(OC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(20.21,-42.85,;18.88,-43.63,;17.54,-42.86,;16.21,-43.64,;14.87,-42.87,;14.87,-41.33,;13.54,-43.65,;12.21,-42.89,;10.88,-43.66,;10.88,-45.2,;9.54,-45.97,;8.21,-45.2,;12.21,-45.97,;13.55,-45.2,;12.21,-47.51,;13.54,-48.27,;14.86,-47.51,;16.19,-48.26,;16.2,-49.8,;17.53,-50.56,;17.54,-52.1,;16.2,-52.88,;16.21,-54.41,;17.55,-55.18,;17.55,-56.72,;18.88,-54.4,;18.87,-52.86,;20.2,-52.08,;14.87,-50.57,;13.54,-49.81,;12.21,-50.59,;10.88,-49.81,;10.88,-48.28,;9.54,-47.5,)|
BDBM50421139 COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)C(=O)NC1CC1 |(18.95,-46.3,;20.28,-47.07,;21.62,-46.31,;21.62,-44.76,;22.95,-43.99,;24.28,-44.75,;24.29,-46.3,;22.95,-47.08,;22.95,-48.61,;24.28,-49.38,;25.6,-48.61,;26.93,-49.36,;26.94,-50.9,;28.27,-51.67,;28.28,-53.21,;26.94,-53.98,;26.95,-55.52,;28.29,-56.29,;28.3,-57.83,;29.62,-55.5,;29.61,-53.97,;30.94,-53.19,;25.61,-51.67,;24.29,-50.91,;22.95,-51.69,;21.62,-50.92,;21.62,-49.38,;20.29,-48.61,;25.61,-43.98,;25.61,-42.44,;26.95,-44.74,;28.28,-43.97,;29.82,-43.96,;29.04,-42.63,)|
BDBM50421140 COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)-c1nnc(C)o1 |(33.77,-46.54,;35.1,-47.32,;36.43,-46.55,;36.44,-45,;37.77,-44.23,;39.1,-45,;39.11,-46.55,;37.77,-47.32,;37.77,-48.85,;39.1,-49.62,;40.42,-48.85,;41.75,-49.61,;41.75,-51.14,;43.09,-51.91,;43.1,-53.45,;41.76,-54.22,;41.77,-55.76,;43.1,-56.53,;43.11,-58.07,;44.44,-55.74,;44.43,-54.21,;45.76,-53.43,;40.43,-51.91,;39.1,-51.15,;37.77,-51.93,;36.43,-51.16,;36.43,-49.62,;35.1,-48.85,;40.36,-44.1,;41.82,-44.58,;42.73,-43.34,;41.83,-42.09,;42.31,-40.63,;40.36,-42.56,)|
BDBM50421141 COC(=O)c1ccc(C=C)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(46,-11.48,;44.67,-12.26,;43.33,-11.49,;43.33,-9.95,;42,-12.27,;40.67,-11.5,;39.34,-12.27,;39.34,-13.82,;38,-14.59,;36.67,-13.82,;40.67,-14.59,;42.01,-13.82,;40.67,-16.12,;42,-16.89,;43.32,-16.12,;44.65,-16.88,;44.65,-18.42,;45.99,-19.18,;46,-20.72,;44.66,-21.49,;44.67,-23.03,;46.01,-23.8,;46.01,-25.34,;47.34,-23.01,;47.33,-21.48,;48.66,-20.7,;43.33,-19.18,;42,-18.42,;40.67,-19.2,;39.33,-18.43,;39.34,-16.89,;38,-16.12,)|
BDBM50044784 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM176672 CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1
BDBM176674 NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O
BDBM176677 CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1
BDBM176678 CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1
BDBM176679 CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(C)nc(Cl)n3)C2=O)cc1
BDBM50045333 C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50046045 Nc1onc(c1-c1ccncn1)-c1ccc(F)cc1
BDBM50046049 Fc1ccc(cc1)-c1noc(NC(=O)Cc2c(F)cccc2Cl)c1-c1ccncn1
BDBM50030881 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50024264 Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1cccc(Cl)c1Cl |c:9|
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50059654 Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
BDBM50059660 COc1cc(NC(=O)c2cccc(c2)-n2ncc3cc(Nc4ccccc4F)ccc23)cc(OC)c1OC
BDBM50059453 Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2 |c:16|
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50115406 Nc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
BDBM50115407 Cc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
BDBM50115408 Nc1cccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c1
BDBM50115410 Oc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
BDBM50115411 Fc1c(NC(=O)c2ccccc2)cccc1Nc1ncc(s1)C(=O)c1ccccc1Cl
BDBM50115412 [O-][N+](=O)c1cccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c1
BDBM50115413 COc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
BDBM50115414 Oc1cccc(c1)C(=O)c1cnc(Nc2ccccc2)s1
BDBM50115415 COc1cccc(c1)C(=O)c1cnc(Nc2ccccc2)s1
BDBM50115417 Brc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
BDBM50115418 Clc1ccccc1C(=O)c1cnc(Nc2ccc(Br)cc2)s1
BDBM50115419 Clc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
BDBM50115421 Clc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
BDBM50115423 Fc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
BDBM50115424 Oc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c(F)c1
BDBM50115425 Fc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c(F)c1
BDBM50115434 O=C(c1cnc(Nc2ccccc2)s1)c1ccccc1
BDBM50089225 CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)|
BDBM50089228 CCNC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
BDBM50089230 CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50089233 CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50089234 CCNC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50089235 CC(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50115409 [O-][N+](=O)c1cccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c1F
BDBM50115416 Clc1ccccc1C(=O)c1cnc(Nc2cccc(NC(=O)c3ccccc3)c2)s1
BDBM50115420 Fc1ccccc1Nc1ncc(s1)C(=O)c1ccccc1Cl
BDBM50115422 Nc1cccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c1F
BDBM50096279 CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
BDBM50215132 CN(C)c1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215299 CCCCOc1cc(N)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
BDBM50215300 Fc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccncc1
BDBM50215154 CCCCOc1cc(O)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
BDBM50215155 COc1ccc2c(c([nH]c2c1)-c1cccc(F)c1)-c1ccncc1
BDBM50215133 C[S+]([O-])c1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215158 Nc1ccc2c(c([nH]c2n1)-c1cccc(Cl)c1)-c1ccncc1
BDBM50215156 COc1ccc2c(c([nH]c2c1)-c1ccc(I)cc1)-c1ccncc1
BDBM50215268 Nc1cc(OCc2ccccc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215269 Oc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215129 CSc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215130 CC(=O)Nc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215266 COc1ccc2c(c([nH]c2c1)-c1cccc(I)c1)-c1ccncc1
BDBM50215267 COc1cc(N)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
BDBM50215262 Nc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215265 CC(=O)Nc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215139 Oc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215131 CC(=O)Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215134 CNc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215135 COc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215136 Cc1cc(ccn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215137 Nc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215138 Cc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215140 Cc1cc(cc(C)n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215270 Fc1ccc(cc1)-c1[nH]c2nc(NCc3ccccc3)ccc2c1-c1ccncc1
BDBM50218790 Cc1cc(ccn1)-c1[nH]c(nc1-c1ccc(F)cc1)-c1ccc(Cl)cc1
BDBM50215141 CSc1nc(N)cc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215142 Cc1cc(nc(N)n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
BDBM50215157 COc1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215159 Nc1ccc2c(c([nH]c2n1)-c1ccc(F)c(F)c1)-c1ccncc1
BDBM50215160 Nc1ccc2c(c([nH]c2n1)-c1cccc(I)c1)-c1ccncc1
BDBM50215161 Nc1cc(OCc2ccc(F)cc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215261 CN(C)c1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215263 CCOc1ccc(cc1Cl)-c1[nH]c2nc(N)ccc2c1-c1ccncc1
BDBM50215264 Nc1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215271 COc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215272 Nc1cc(OCCCc2ccccc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
BDBM50215273 COc1ccc2c(c([nH]c2c1)-c1cccc(Cl)c1)-c1ccncc1
BDBM50215274 CCCCOc1cc(OC)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
BDBM50215275 Fc1ccc(cc1)-c1[nH]c2ncccc2c1-c1ccncc1
BDBM50219322 C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCN(C)CC1)c1ccccc1
BDBM50219251 C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.36,(10.99,1.09,;10.19,-.24,;9.3,1.03,;7.76,.9,;7.1,-.5,;7.99,-1.76,;9.53,-1.65,;5.58,-.63,;4.85,-1.97,;3.33,-1.72,;3.12,-.17,;4.5,.49,;1.79,.59,;1.79,2.15,;.43,2.92,;-.9,2.13,;-.9,.59,;-2.24,-.21,;-3.6,.55,;-3.62,2.08,;-4.95,2.83,;-6.29,2.04,;-6.26,.51,;-4.91,-.24,;.43,-.17,;2.28,-2.84,;2.72,-4.31,;1.65,-5.43,;.17,-5.08,;-.88,-6.21,;-.27,-3.61,;.78,-2.49,;11.5,-1.04,;11.48,-2.61,;12.86,-.29,;14.19,-1.08,;15.53,-.31,;15.55,1.24,;14.22,2.03,;12.88,1.26,)|
BDBM50219317 C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N(C)C)c1ccccc1
BDBM50219323 C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCNCC1)c1ccccc1
BDBM50219324 C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCC(C)CC1)c1ccccc1
BDBM50219325 C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCCCC1)c1ccccc1
BDBM50219314 C[C@H](Nc1nccc(n1)-c1nc(C2CCNCC2)n(C)c1-c1cccc(c1)C(F)(F)F)c1ccccc1
BDBM50219315 C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N(C)CCN(C)C)c1ccccc1
BDBM50219316 Cl.Cl.C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1 |r|
BDBM50222084 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222093 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CCC2C3)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222094 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222095 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCC(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222097 CC1CN(CC(C)O1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
BDBM50222098 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCN(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222099 CC(C)N1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
BDBM50222100 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCCCC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222103 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222105 CN(C)CCN1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
BDBM50222620 CC(C)N1CCC(CC1)c1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(15.97,6.5,;15.96,4.96,;17.29,4.19,;14.61,4.2,;14.61,2.66,;13.28,1.91,;11.95,2.68,;11.95,4.22,;13.28,4.97,;10.62,1.91,;9.29,2.68,;7.96,1.91,;6.63,2.68,;6.63,4.22,;7.96,4.99,;9.29,4.22,;7.96,6.53,;6.63,7.32,;5.3,6.53,;5.3,4.99,;3.95,4.24,;5.28,1.91,;3.95,2.68,;5.28,.39,;6.61,-.4,;7.94,.37,;9.27,-.4,;10.62,.37,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,)|
BDBM50222625 CC(C)N1CCC(CC1)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM50222096 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3CC2CC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222101 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCOCC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222107 CC(C)N1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
BDBM50222619 CC1(C)CC(CC(C)(C)N1)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(4.02,2.72,;4.04,1.18,;5.12,.09,;2.69,1.96,;1.38,1.19,;1.36,-.36,;2.69,-1.13,;1.35,-1.89,;4.02,-1.9,;4.02,-.36,;.03,1.96,;-1.3,1.19,;-2.63,1.96,;-3.96,1.21,;-5.29,1.96,;-5.29,3.5,;-3.94,4.27,;-2.61,3.5,;-3.94,5.83,;-5.29,6.6,;-6.62,5.81,;-6.62,4.27,;-7.95,3.52,;-6.62,1.21,;-7.97,1.98,;-6.63,-.33,;-5.3,-1.1,;-3.96,-.33,;-2.63,-1.12,;-1.3,-.35,;-2.64,-2.64,;-3.98,-3.41,;-3.99,-4.95,;-2.66,-5.72,;-1.32,-4.95,;-1.32,-3.41,;.01,-2.64,)|
BDBM50222621 CC(C)N1CCC(CC1)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(4.95,-2.62,;4.95,-1.08,;6.3,-.33,;3.62,-.31,;2.29,-1.07,;.96,-.29,;.98,1.25,;2.31,2.02,;3.64,1.24,;-.35,2.02,;-1.7,1.26,;-3.03,2.03,;-4.36,1.28,;-5.69,2.03,;-5.69,3.57,;-7.02,4.36,;-8.35,3.59,;-7.02,5.88,;-5.69,6.67,;-4.34,5.9,;-4.34,4.36,;-3.01,3.57,;-7.02,1.28,;-8.35,2.05,;-7.02,-.26,;-5.69,-1.03,;-4.36,-.26,;-3.03,-1.05,;-1.7,-.28,;-3.03,-2.57,;-4.38,-3.34,;-4.39,-4.88,;-3.06,-5.65,;-1.72,-4.88,;-1.72,-3.34,;-.39,-2.57,)|
BDBM50222622 CN1C(C)(C)CC(CC1(C)C)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(17.27,-.44,;15.94,.34,;14.59,-.43,;15.92,-1.2,;13.26,-1.19,;13.26,.35,;13.28,1.91,;14.61,2.66,;15.94,1.88,;15.94,3.42,;17.03,.79,;11.95,2.68,;10.62,1.91,;9.29,2.68,;7.96,1.91,;6.63,2.68,;6.63,4.22,;5.3,4.99,;3.95,4.24,;5.3,6.53,;6.63,7.32,;7.96,6.53,;7.96,4.99,;9.29,4.22,;5.28,1.91,;3.95,2.68,;5.28,.39,;6.61,-.4,;7.94,.37,;9.27,-.4,;10.62,.37,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,)|
BDBM50222623 CC1(C)CC(CC(C)(C)N1)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
BDBM50222624 Clc1ccccc1-c1nc(NC2CCNCC2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |(10.11,-3.62,;8.78,-4.39,;8.78,-5.93,;7.43,-6.7,;6.1,-5.93,;6.11,-4.39,;7.45,-3.62,;7.47,-2.1,;8.8,-1.33,;8.8,.21,;10.13,.97,;11.46,.2,;12.79,.97,;14.12,.19,;14.12,-1.36,;12.79,-2.12,;11.46,-1.34,;7.47,.98,;6.14,.23,;4.81,.98,;4.81,2.52,;6.14,3.29,;7.47,2.52,;6.14,4.85,;4.81,5.62,;3.48,4.83,;3.48,3.29,;2.15,2.54,;3.48,.23,;2.13,1,;3.46,-1.31,;4.79,-2.08,;6.14,-1.31,)|
BDBM50222626 CC(C)N1CCC(CC1)c1cc2N(C(=O)CCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
BDBM50222627 CC(C)N1CCC(CC1)c1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(15.97,6.5,;15.96,4.96,;17.29,4.19,;14.61,4.2,;14.61,2.66,;13.28,1.91,;11.95,2.68,;11.95,4.22,;13.28,4.97,;10.62,1.91,;10.62,.37,;9.27,-.4,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,;7.94,.37,;6.61,-.4,;5.28,.39,;5.28,1.91,;3.95,2.68,;6.63,2.68,;6.63,4.22,;7.96,4.99,;9.29,4.22,;7.96,6.53,;6.63,7.32,;5.3,6.53,;5.3,4.99,;3.95,4.24,;7.96,1.91,;9.29,2.68,)|
BDBM50222628 CN1C2CCC1CC(C2)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |THB:9:7:1:3.4,(5,-1.84,;4,-.68,;2.5,-.29,;2.5,1.25,;3.83,2.03,;3.79,.89,;2.31,.48,;.98,1.25,;.96,-.29,;-.35,2.02,;-1.7,1.26,;-3.03,2.03,;-4.36,1.28,;-5.69,2.03,;-5.69,3.57,;-4.34,4.36,;-3.01,3.57,;-4.34,5.9,;-5.69,6.67,;-7.02,5.88,;-7.02,4.36,;-8.35,3.59,;-7.02,1.28,;-8.35,2.05,;-7.02,-.26,;-5.69,-1.03,;-4.36,-.26,;-3.03,-1.05,;-1.7,-.28,;-3.03,-2.57,;-4.38,-3.34,;-4.39,-4.88,;-3.06,-5.65,;-1.72,-4.88,;-1.72,-3.34,;-.39,-2.57,)|
BDBM50222629 CN1C2CCC1CC(C2)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl |THB:9:7:1:3.4|
BDBM50222108 CCN1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
BDBM50222109 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM50222110 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2NC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
BDBM277676 COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCC(O)=O)c1
BDBM277677 COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1