SMILES for Mitogen-activated protein kinase 13

CC(C)NC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(22.4,-13.11,;23.18,-11.78,;24.72,-11.79,;22.42,-10.43,;20.88,-10.43,;20.1,-11.76,;20.11,-9.1,;20.88,-7.77,;19.35,-7.77,;17.82,-7.77,;17.04,-9.1,;17.82,-10.43,;19.33,-10.43,;15.5,-9.1,;14.59,-10.34,;13.12,-9.86,;13.13,-8.3,;14.61,-7.84,;11.8,-7.53,;11.8,-5.99,;10.45,-5.22,;9.12,-5.99,;9.12,-7.53,;7.79,-8.3,;6.46,-7.53,;5.12,-8.3,;3.58,-8.3,;4.35,-9.64,;10.45,-8.3,;11.88,-10.76,;12.04,-12.28,;10.8,-13.19,;9.38,-12.56,;8.04,-13.32,;9.22,-11.01,;10.48,-10.12,)|

BDBM50420749

CC(C)c1nnc2c(F)c(c(F)cn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 |(6.05,-42.79,;6.78,-41.43,;8.32,-41.38,;5.97,-40.13,;4.44,-40.28,;3.82,-38.87,;4.97,-37.85,;4.97,-36.32,;3.64,-35.55,;6.31,-35.56,;7.64,-36.32,;8.98,-35.55,;7.63,-37.86,;6.3,-38.63,;6.32,-34.02,;7.65,-33.25,;7.65,-31.7,;6.31,-30.93,;4.98,-31.7,;3.65,-30.93,;4.98,-33.25,;3.65,-34.02,;8.98,-30.92,;8.97,-29.38,;10.31,-31.69,;11.65,-30.91,;13.18,-30.91,;12.41,-29.58,)|

BDBM50420758

CC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1

BDBM50420757

CC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1

BDBM50605748

CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)cn12 |r|

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM563678

CC(C)n1nc(cc1NC(=O)Nc1ccc(CCc2ccnc(NC(=O)C3CC3)c2)cc1F)C(C)(C)C

BDBM563676

CC(C)n1nc(cc1NC(=O)Nc1ccc(CCc2ccnc(NC(C)=O)c2)cc1F)C(C)(C)C

BDBM563639

CC(C)n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(NC(C)=O)c2)cc1F)C(C)(C)C

BDBM563589

CC(C)n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(C)=O)c2)s1)C(C)(C)C

BDBM563674

CC(C)n1nc(cc1NC(=O)Nc1ncc(CCc2ccncc2)s1)C(C)(C)C

BDBM50208911

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

BDBM24773

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

BDBM50222097

CC1CN(CC(C)O1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl

BDBM563617

CCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)s2)ccn1

BDBM563596

CCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3C)C(C)(C)C)s2)ccn1

BDBM50473627

CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCCCOC)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(26.03,-17.02,;25.26,-15.68,;23.72,-15.68,;22.96,-14.34,;21.42,-14.34,;20.64,-15.67,;20.66,-13.01,;21.42,-11.67,;19.89,-11.68,;18.37,-11.67,;17.6,-13,;18.37,-14.33,;19.89,-14.33,;16.06,-13,;15.14,-14.24,;13.68,-13.75,;13.68,-12.21,;15.15,-11.75,;12.35,-11.44,;12.35,-9.89,;11.02,-9.12,;9.69,-9.89,;9.69,-11.44,;8.35,-12.21,;7.02,-11.44,;5.68,-12.21,;4.35,-11.44,;3.02,-12.2,;1.69,-11.43,;11.02,-12.21,;12.44,-14.65,;12.59,-16.18,;11.35,-17.08,;9.94,-16.45,;8.6,-17.21,;9.79,-14.91,;11.04,-14.01,)|

BDBM50473626

CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccco2)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(23.17,-14.45,;22.4,-13.11,;23.18,-11.78,;22.42,-10.43,;20.88,-10.43,;20.1,-11.76,;20.11,-9.1,;20.88,-7.77,;19.35,-7.77,;17.82,-7.77,;17.04,-9.1,;17.82,-10.43,;19.33,-10.43,;15.5,-9.1,;14.59,-10.34,;13.12,-9.86,;13.13,-8.3,;14.61,-7.84,;11.8,-7.53,;11.8,-5.99,;10.45,-5.22,;9.12,-5.99,;9.12,-7.53,;7.79,-8.3,;6.46,-7.53,;5.12,-8.3,;3.72,-7.69,;2.69,-8.83,;3.46,-10.17,;4.96,-9.85,;10.45,-8.3,;11.88,-10.76,;12.04,-12.28,;10.8,-13.19,;9.38,-12.56,;8.04,-13.32,;9.22,-11.01,;10.48,-10.12,)|

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM26300

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1

BDBM50222108

CCN1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM563583

CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)s2)ccn1

BDBM563577

CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3C)C(C)(C)C)s2)ccn1

BDBM563569

CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3CC3CC3)C(C)(C)C)s2)ccn1

BDBM563669

CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)s2)ccn1

BDBM563570

CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(n[nH]3)C(C)(C)C)s2)ccn1

BDBM563586

CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)s2)ccn1

BDBM563574

CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3C(C)C)C(C)(C)C)s2)ccn1

BDBM563593

CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3C)C(C)(C)C)s2)ccn1

BDBM563585

CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3CC3CC3)C(C)(C)C)s2)ccn1

BDBM563571

CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(on3)C(C)(C)C)s2)ccn1

BDBM50485275

CCOC(=O)c1cc2cc3OCOc3cc2nc1NC(=O)NC1CCCCC1

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM50236473

CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM50173609

CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50466038

CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12

BDBM50473625

CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(23.19,-11.78,;22.43,-10.44,;23.2,-9.1,;20.89,-10.44,;20.11,-11.77,;20.12,-9.1,;20.89,-7.77,;19.36,-7.77,;17.82,-7.77,;17.05,-9.1,;17.82,-10.44,;19.34,-10.44,;15.51,-9.1,;14.6,-10.34,;13.12,-9.87,;13.14,-8.31,;14.61,-7.84,;11.81,-7.54,;11.81,-5.99,;10.46,-5.22,;9.13,-5.99,;9.13,-7.54,;7.79,-8.31,;6.46,-7.54,;5.12,-8.31,;4.36,-9.64,;3.59,-8.31,;10.46,-8.31,;11.89,-10.76,;12.04,-12.28,;10.8,-13.2,;9.38,-12.56,;8.04,-13.33,;9.22,-11.02,;10.48,-10.12,)|

BDBM50473623

CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccn2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(19.11,-7.82,;18.34,-6.49,;19.11,-5.14,;16.8,-6.47,;16.03,-7.82,;16.04,-5.16,;16.8,-3.81,;15.28,-3.83,;13.74,-3.81,;12.98,-5.14,;13.74,-6.47,;15.27,-6.47,;11.44,-5.14,;10.53,-6.39,;9.06,-5.91,;9.08,-4.37,;10.55,-3.9,;7.75,-3.59,;7.75,-2.04,;6.4,-1.27,;5.07,-2.04,;5.07,-3.59,;3.74,-4.36,;2.41,-3.59,;1.07,-4.36,;-.26,-3.58,;-1.59,-4.35,;-1.6,-5.89,;-.25,-6.66,;1.08,-5.89,;6.4,-4.36,;7.82,-6.8,;6.42,-6.17,;5.16,-7.05,;5.33,-8.59,;3.97,-9.36,;6.74,-9.22,;7.98,-8.33,)|

BDBM50420753

CN(C)C(C)(C)c1nnc2c(F)c(c(F)cn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 |(22.02,-8.75,;22.79,-7.42,;24.33,-7.42,;22.03,-6.1,;21.3,-7.45,;23.57,-6.05,;21.22,-4.8,;19.69,-4.95,;19.08,-3.54,;20.22,-2.52,;20.22,-.99,;18.89,-.21,;21.57,-.22,;22.89,-.98,;24.23,-.21,;22.89,-2.53,;21.55,-3.3,;21.57,1.32,;22.9,2.09,;22.9,3.64,;21.56,4.4,;20.24,3.63,;18.9,4.4,;20.23,2.09,;18.9,1.32,;24.23,4.41,;24.22,5.95,;25.57,3.65,;26.9,4.42,;28.44,4.42,;27.66,5.75,)|

BDBM50420746

CN(C)C(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50222105

CN(C)CCN1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl

BDBM50359359

CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM50322823

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

BDBM92527

CN(C)c1cc(cc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1)C(=O)Nc1cncc(C)c1

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM50089126

CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1

BDBM50473629

CN1CCN(CC1)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:13.17,9.10,wD:9.9,(22.52,-6.15,;20.98,-6.15,;20.21,-4.81,;18.66,-4.8,;17.9,-6.13,;18.65,-7.46,;20.19,-7.48,;16.36,-6.13,;15.59,-7.46,;15.6,-4.8,;16.36,-3.46,;14.84,-3.46,;13.3,-3.46,;12.54,-4.79,;13.3,-6.12,;14.83,-6.12,;11,-4.79,;10.07,-6.03,;8.62,-5.54,;8.63,-4,;10.1,-3.53,;7.3,-3.23,;7.3,-1.68,;5.96,-.91,;4.62,-1.68,;4.62,-3.23,;3.28,-4,;1.95,-3.23,;.62,-4,;-.16,-5.33,;-.93,-4,;5.96,-4,;7.37,-6.45,;5.96,-5.8,;4.72,-6.7,;4.87,-8.25,;3.53,-9,;6.29,-8.88,;7.53,-7.97,)|

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM25118

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

BDBM50355495

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM16673

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

BDBM50376227

CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3n(ncc23)-c2ccccc2)c1

BDBM25117

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

BDBM50560259

CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(ccc2C)C(=O)NC2CC2)c1=O

BDBM2579

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM563684

COC(=O)Nc1cc(CCc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c(F)c2)ccn1

BDBM563658

COC(=O)Nc1cc(CCc2ccc(NC(=O)Nc3cc(nn3CC3CC3)C(C)(C)C)c(F)c2)ccn1

BDBM563592

COC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)s2)ccn1

BDBM563640

COC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C3(C)COC3)cc2)ccn1

BDBM563629

COC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C3(C)CSC3)cc2)ccn1

BDBM50392982

COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

BDBM50026612

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

BDBM50420744

COC(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1

BDBM50420771

COC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1

BDBM50420770

COC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1

BDBM563608

COCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)s2)ccn1

BDBM563582

COCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3C)C(C)(C)C)s2)ccn1

BDBM563588

COCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3CC3CC3)C(C)(C)C)s2)ccn1

BDBM563635

COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(cn3-c3ccc(C)cc3)C3(C)COC3)c(F)c2)ccn1

BDBM563627

COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(cn3-c3ccc(C)cc3)C3(C)CSC3)c(F)c2)ccn1

BDBM563638

COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C3(C)COC3)cc2)ccn1

BDBM563641

COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C3(C)CSC3)cc2)ccn1

BDBM563618

COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)s2)ccn1

BDBM563591

COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3C)C(C)(C)C)s2)ccn1

BDBM563598

COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3CC3CC3)C(C)(C)C)s2)ccn1

BDBM563634

COCCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(ccc3Cl)C(C)(C)C)c(F)c2)ccn1

BDBM563645

COCCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(ccc3F)C3CC3)c(F)c2)ccn1

BDBM50219252

COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@@](C)(CO1)C(=O)N1CCOCC1 |wU:24.26,27.30,wD:27.34,(-7.57,.44,;-6.24,-.34,;-4.9,.42,;-3.57,-.35,;-2.24,.42,;-.9,-.35,;.43,.42,;.43,1.96,;1.76,2.74,;3.12,1.96,;3.12,.42,;1.76,-.35,;4.45,-.35,;5.85,.28,;6.91,-.87,;6.13,-2.2,;4.61,-1.88,;3.47,-2.92,;3.8,-4.42,;2.65,-5.45,;1.18,-4.98,;.03,-6.02,;.85,-3.47,;2,-2.44,;8.43,-.7,;9.06,.72,;10.58,.88,;11.49,-.37,;12.26,.96,;10.86,-1.78,;9.34,-1.94,;12.82,-1.15,;12.82,-2.69,;14.15,-.37,;14.15,1.17,;15.51,1.93,;16.84,1.16,;16.82,-.38,;15.49,-1.15,)|

BDBM50473624

COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@](C)(CO1)C(=O)NCCOC |wU:24.26,27.34,wD:27.30,(-4.2,-5.55,;-2.87,-6.32,;-1.53,-5.55,;-.2,-6.32,;1.14,-5.55,;2.48,-6.32,;3.82,-5.55,;3.82,-4,;5.15,-3.23,;6.48,-4,;6.48,-5.55,;5.15,-6.32,;7.81,-6.33,;9.28,-5.85,;10.2,-7.11,;9.28,-8.35,;7.81,-7.87,;6.57,-8.77,;6.71,-10.29,;5.48,-11.2,;4.07,-10.57,;2.72,-11.33,;3.91,-9.03,;5.16,-8.13,;11.74,-7.11,;12.5,-5.78,;14.03,-5.78,;14.8,-7.11,;15.56,-8.44,;14.03,-8.44,;12.5,-8.44,;15.56,-5.78,;14.78,-4.45,;17.1,-5.76,;17.86,-4.42,;19.4,-4.4,;20.73,-3.61,;22.07,-4.35,)|

BDBM50473628

COCCNC(=O)[C@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC=C)n1)-c1ccc(F)cc1 |wU:11.14,7.6,wD:7.7,(23.55,-.85,;22.21,-.1,;20.89,-.9,;19.34,-.91,;18.59,-2.25,;17.05,-2.27,;16.26,-.94,;16.29,-3.6,;17.05,-4.94,;15.51,-2.27,;13.99,-2.27,;13.23,-3.6,;13.99,-4.93,;15.51,-4.94,;11.68,-3.6,;10.77,-4.84,;9.3,-4.37,;9.3,-2.83,;10.77,-2.34,;7.97,-2.04,;7.97,-.5,;6.64,.27,;5.31,-.5,;5.31,-2.04,;3.97,-2.81,;2.64,-2.04,;1.29,-2.81,;-.04,-2.04,;6.64,-2.81,;8.06,-5.26,;8.21,-6.78,;6.97,-7.69,;5.56,-7.06,;4.21,-7.82,;5.4,-5.52,;6.66,-4.62,)|

BDBM50473630

COCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@](C)(CO1)C(=O)NCC1CC1 |wU:23.25,26.33,wD:26.29,(-2.96,-3.99,;-1.63,-3.23,;-.3,-4,;1.05,-3.23,;2.38,-4,;3.72,-3.23,;3.72,-1.68,;5.05,-.91,;6.38,-1.68,;6.38,-3.23,;5.05,-4,;7.71,-4,;9.18,-3.53,;10.09,-4.78,;9.17,-6.03,;7.71,-5.54,;6.46,-6.44,;6.61,-7.97,;5.38,-8.87,;3.97,-8.24,;2.62,-8.99,;3.81,-6.7,;5.06,-5.8,;11.63,-4.78,;12.39,-3.45,;13.92,-3.46,;14.69,-4.79,;15.45,-6.12,;13.92,-6.11,;12.39,-6.11,;15.45,-3.45,;14.66,-2.12,;16.99,-3.44,;17.74,-2.08,;19.28,-2.08,;20.62,-2.83,;20.61,-1.29,)|

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

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|

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM92524

COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC

BDBM92522

COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC

BDBM92523

COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(OC)c1OC

BDBM4552

COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

BDBM60665

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM482158

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

BDBM21

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM5447

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

BDBM32362

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

BDBM12621

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

BDBM50588525

COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1

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,)|

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM192501

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1

BDBM50473631

CS(O)(=O)=O.C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |r,wU:9.11,6.4,wD:6.32,(-4.22,-11.83,;-2.87,-11.07,;-2.89,-12.61,;-1.33,-11.07,;-2.89,-9.53,;17.16,-13,;16.4,-14.35,;15.64,-13.02,;14.1,-13,;13.35,-14.33,;14.1,-15.66,;15.63,-15.66,;11.81,-14.33,;10.88,-15.59,;9.43,-15.1,;9.43,-13.56,;10.9,-13.09,;8.1,-12.79,;6.77,-13.56,;5.44,-12.79,;5.44,-11.25,;6.77,-10.46,;8.1,-11.23,;8.17,-15.99,;8.34,-17.52,;7.1,-18.42,;5.68,-17.79,;4.35,-18.56,;5.53,-16.25,;6.77,-15.36,;17.16,-15.68,;16.39,-17.01,;18.7,-15.68,;19.46,-14.35,;21.01,-14.36,;21.77,-15.7,;20.98,-17.03,;19.44,-17.02,)|

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,)|

BDBM50389320

CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1

BDBM50380246

CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM50192071

C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O

BDBM50219253

C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NC2CC2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.33,(10.32,.96,;9.56,-.37,;8.65,.88,;7.12,.72,;6.51,-.7,;7.4,-1.94,;8.93,-1.78,;4.98,-.86,;4.21,-2.19,;2.69,-1.87,;2.53,-.35,;3.94,.28,;1.2,.42,;1.2,1.96,;-.14,2.73,;-1.47,1.96,;-1.47,.42,;-2.81,-.35,;-4.14,.42,;-5.64,.02,;-4.73,1.97,;-.14,-.35,;1.55,-2.92,;1.87,-4.41,;.75,-5.43,;-.72,-4.97,;-1.87,-6,;-1.05,-3.46,;.09,-2.43,;10.89,-1.14,;10.89,-2.68,;12.22,-.37,;13.55,-1.15,;14.88,-.38,;14.89,1.16,;13.56,1.93,;12.21,1.17,)|

BDBM50473632

C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1)C(=O)NC1CC1 |wU:4.7,1.0,wD:1.34,(21.05,-9.06,;20.3,-10.39,;19.53,-9.06,;17.99,-9.06,;17.23,-10.39,;17.99,-11.72,;19.52,-11.72,;15.69,-10.39,;14.76,-11.63,;13.3,-11.15,;13.31,-9.61,;14.79,-9.13,;11.98,-8.82,;11.98,-7.28,;10.64,-6.51,;9.31,-7.28,;9.31,-8.82,;7.96,-9.59,;6.62,-8.82,;5.29,-9.59,;4.52,-10.93,;3.75,-9.59,;10.64,-9.59,;12.05,-12.05,;10.65,-11.41,;9.4,-12.31,;9.55,-13.85,;8.21,-14.61,;10.97,-14.48,;12.21,-13.57,;21.05,-11.72,;20.28,-13.05,;22.59,-11.72,;23.37,-13.08,;23.37,-14.62,;24.7,-13.85,)|

BDBM50219254

C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.37,(10.24,-.19,;9.47,-1.52,;8.56,-.28,;7.03,-.44,;6.42,-1.85,;7.31,-3.09,;8.84,-2.94,;4.88,-2.01,;4.11,-3.34,;2.61,-3.03,;2.45,-1.5,;3.85,-.87,;1.1,-.73,;1.1,.81,;-.23,1.58,;-1.56,.81,;-1.56,-.73,;-2.89,-1.5,;-4.22,-.73,;-4.22,.81,;-5.55,1.58,;-5.55,3.1,;-4.22,3.89,;-2.89,3.1,;-2.89,1.56,;-.23,-1.5,;1.47,-4.07,;,-3.59,;-1.14,-4.62,;-.82,-6.12,;-1.96,-7.16,;.65,-6.59,;1.8,-5.56,;10.8,-2.29,;10.8,-3.83,;12.13,-1.52,;13.46,-2.31,;14.79,-1.54,;14.8,,;13.47,.77,;12.13,.02,)|

BDBM50605772

C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(nn4-c4cccc(OCCN(C)C)c4)C(C)(C)C)c4ccccc34)cn12 |r|

BDBM50605781

C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(nn4-c4cnn(CCN(C)C)c4)C(C)(C)C)c4ccccc34)cn12 |r|

BDBM50605782

C[C@H]1CCC[C@@H](C)N1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(nn4-c4cnn(CCN(C)C)c4)C(C)(C)C)c4ccccc34)cn12 |r|

BDBM50308060

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

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|

BDBM50420751

Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)-c1ccncc1Cl)C(=O)NC1CC1 |(-8.4,1.03,;-7.07,1.8,;-7.06,3.35,;-8.4,4.12,;-5.73,4.12,;-4.4,3.35,;-4.39,1.8,;-5.73,1.03,;-5.73,-.51,;-4.4,-1.27,;-3.07,-.5,;-4.41,-2.82,;-5.75,-3.59,;-6.08,-5.09,;-7.61,-5.24,;-8.22,-3.83,;-7.08,-2.81,;-7.08,-1.27,;-8.41,-.5,;-5.27,-6.39,;-3.74,-6.33,;-2.93,-7.63,;-3.65,-8.99,;-5.19,-9.04,;-6,-7.74,;-7.54,-7.78,;-3.07,4.13,;-3.07,5.67,;-1.73,3.37,;-.4,4.14,;1.14,4.14,;.37,5.47,)|

BDBM50420740

Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 |(-7.31,-33.73,;-5.98,-32.96,;-5.98,-31.41,;-7.31,-30.64,;-4.65,-30.64,;-3.31,-31.41,;-3.31,-32.96,;-4.64,-33.73,;-4.64,-35.27,;-3.32,-36.03,;-1.98,-35.26,;-3.32,-37.58,;-4.66,-38.34,;-4.99,-39.84,;-6.52,-39.99,;-7.13,-38.59,;-5.99,-37.57,;-5.99,-36.03,;-7.32,-35.26,;-4.18,-41.14,;-4.91,-42.5,;-2.64,-41.09,;-3.42,-42.47,;-1.98,-30.63,;-1.99,-29.09,;-.64,-31.4,;.69,-30.62,;2.22,-30.62,;1.45,-29.29,)|

BDBM50420752

Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)N)C(=O)NC1CC1 |(3.97,.97,;5.3,1.74,;5.3,3.28,;3.97,4.05,;6.63,4.05,;7.97,3.29,;7.97,1.74,;6.63,.97,;6.63,-.57,;7.96,-1.33,;9.29,-.56,;7.95,-2.88,;6.62,-3.65,;6.29,-5.15,;4.76,-5.3,;4.14,-3.89,;5.29,-2.87,;5.29,-1.34,;3.96,-.56,;7.09,-6.45,;6.37,-7.8,;8.63,-6.4,;7.86,-7.77,;9.3,4.06,;9.29,5.6,;10.63,3.3,;11.96,4.07,;13.5,4.07,;12.73,5.4,)|

BDBM50420750

Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C1CC1)C(=O)NC1CC1 |(17.06,-33.61,;18.39,-32.84,;18.39,-31.3,;17.06,-30.53,;19.72,-30.53,;21.06,-31.29,;21.06,-32.84,;19.73,-33.62,;19.73,-35.16,;21.05,-35.92,;22.39,-35.15,;21.04,-37.46,;19.71,-38.23,;19.38,-39.73,;17.85,-39.88,;17.23,-38.47,;18.38,-37.45,;18.38,-35.92,;17.05,-35.14,;20.19,-41.03,;20.24,-42.56,;21.54,-41.75,;22.39,-30.52,;22.38,-28.98,;23.73,-31.28,;25.06,-30.51,;26.59,-30.51,;25.82,-29.18,)|

BDBM50420767

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1

BDBM50420769

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1

BDBM50420756

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1

BDBM50420743

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)N)C(=O)NC1CC1

BDBM50420774

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)NS(C)(=O)=O)C(=O)NC1CC1

BDBM50420747

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)O)C(=O)NC1CC1

BDBM50420741

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(F)(F)F)C(=O)NC1CC1

BDBM50420742

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(N)=O)C(=O)NC1CC1

BDBM50420761

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1

BDBM50420773

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1

BDBM50420763

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1

BDBM50420765

Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CCOCC1)C(=O)NC1CC1

BDBM50348880

Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM563661

Cc1ccc(cc1)-n1cc(cc1NC(=O)Nc1ncc(CCc2ccncc2)s1)C(C)(C)C

BDBM50605761

Cc1ccc(cc1)-n1nc(cc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc3nnc(N4CCC(CO)CC4)n3c2)c2ccccc12)C(C)(C)C |r|

BDBM50605756

Cc1ccc(cc1)-n1nc(cc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc3nnc(N4CCCCC4)n3c2)c2ccccc12)C(C)(C)C |r|

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM192497

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C

BDBM563664

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)CO

BDBM563665

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1F)C(C)(C)CO

BDBM563623

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2C)cc1F)C(C)(C)C

BDBM192500

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc2CN(Cc2c1)C(=O)C1CCOCC1)C(C)(C)C

BDBM192498

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCN2CCOCC2)s1)C(C)(C)C

BDBM563612

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CC3)c2)s1)C(C)(C)C

BDBM563615

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CCC3)c2)s1)C(C)(C)C

BDBM563620

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CCOCC3)c2)s1)C(C)(C)C

BDBM563604

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)CO)c2)s1)C(C)(C)C

BDBM563606

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)N3CCCC3)c2)s1)C(C)(C)C

BDBM563651

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)OCc3ccccc3)c2)s1)C(C)(C)C

BDBM563655

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccncc2)s1)C1(C)COC1

BDBM563597

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccncc2)s1)C1(C)CSC1

BDBM50420748

Cc1ccc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 |(17.76,-16.42,;19.09,-15.65,;19.09,-14.11,;20.42,-13.34,;21.76,-14.1,;21.76,-15.65,;20.42,-16.42,;20.42,-17.96,;21.75,-18.72,;23.08,-17.96,;21.74,-20.27,;20.41,-21.04,;20.08,-22.54,;18.55,-22.69,;17.93,-21.28,;19.08,-20.26,;19.08,-18.73,;17.75,-17.95,;20.88,-23.84,;20.16,-25.2,;22.42,-23.79,;21.65,-25.16,;23.09,-13.33,;23.08,-11.79,;24.42,-14.09,;25.75,-13.32,;27.29,-13.32,;26.52,-11.99,)|

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,)|

BDBM50420754

Cc1ccc(cc1-c1ccc2c(noc2c1)N1CCCCC1)C(=O)NC1CC1

BDBM50420766

Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1

BDBM50420768

Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1

BDBM50420739

Cc1ccc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1

BDBM50420772

Cc1ccc(cc1-c1ccn2c(nnc2c1)C(F)(F)F)C(=O)NC1CC1

BDBM50420760

Cc1ccc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1

BDBM50420759

Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1

BDBM50420762

Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1

BDBM50420764

Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCOCC1)C(=O)NC1CC1

BDBM92529

Cc1cccc(NC(=O)Nc2cnn(c2)-c2cccc(c2)C(=O)NCCN2CCOCC2)c1

BDBM50396845

Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM192499

Cc1cn(cn1)-c1cccc(c1)C(=O)Nc1ccc(Oc2ccncc2)cc1

BDBM50332294

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM92528

Cc1cncc(NC(=O)c2cc(cc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)N2CCOCC2)c1

BDBM92526

Cc1cncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM13216

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

BDBM50536681

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

BDBM50224883

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM92530

Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1

BDBM50303597

Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O |r|

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM50296636

Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50536678

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

BDBM50536679

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

BDBM50355497

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

BDBM563659

Cn1nc(cc1NC(=O)Nc1ccc(CCc2ccnc(NC(=O)C3CC3)c2)cc1F)C(C)(C)C

BDBM50249406

Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C

BDBM563576

Cn1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(N)c2)s1)C(C)(C)C

BDBM563603

Cn1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CC3)c2)s1)C(C)(C)C

BDBM563601

Cn1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CCC3)c2)s1)C(C)(C)C

BDBM563584

Cn1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)CO)c2)s1)C(C)(C)C

BDBM50536675

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

BDBM50590873

FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM4779

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

BDBM50122372

Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1

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,)|

BDBM50222104

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2Br)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222094

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222084

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222096

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3CC2CC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222093

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CCC2C3)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222095

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCC(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222100

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCCCC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222098

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCN(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222109

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222101

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCOCC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222110

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2NC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50222103

Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1

BDBM50323516

Fc1ccc(cc1)-c1[nH]cc(c1-c1ccncc1)C1=C[C@@H]2CCCN2CC1 |r,t:21|

BDBM50355501

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM50552452

NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50305006

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM50462709

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50315888

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM192502

O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(c1)N1CCOCC1

BDBM50499634

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM563631

OCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(ccc3F)C3CC3)c(F)c2)ccn1

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM60927

OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12

BDBM50277910

O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

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,)|