SMILES for Cyclin-K/Cyclin-dependent kinase 12

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3(CC(N)C3)C2)ncc1C(F)(F)F |(-8.58,5.38,;-8.58,3.84,;-7.25,3.07,;-7.25,1.53,;-5.91,3.84,;-4.58,3.07,;-4.58,1.53,;-3.25,.76,;-1.91,1.53,;-.45,1.06,;.46,2.3,;-.45,3.55,;-1.91,3.07,;-3.25,3.84,;-3.25,5.38,;-.05,-.43,;1.44,-.83,;1.84,-2.32,;3.32,-2.72,;4.41,-1.63,;5.95,-1.63,;5.95,-.09,;7.49,-.09,;7.49,1.45,;8.58,2.54,;5.95,1.45,;4.41,-.09,;.75,-3.41,;-.74,-3.01,;-1.14,-1.52,;-2.63,-1.12,;-3.03,.36,;-3.72,-2.21,;-4.11,-.72,)|

BDBM619395

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3(CNC3)C2)ncc1C(F)(F)F

BDBM619404

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3CNCC3C2)ncc1C(F)(F)F

BDBM619399

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@@H](N)C2)ncc1C(F)(F)F |r|

BDBM619398

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@H](N)C2)ncc1C(F)(F)F |r|

BDBM619400

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2[C@H]3CNC[C@@H]23)ncc1C(F)(F)F |r|

BDBM619412

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619507

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619451

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1Br |r|

BDBM619377

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619397

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H](N)C2)ncc1C(F)(F)F |r|

BDBM619405

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H](O)C2)ncc1C(F)(F)F |r|

BDBM619443

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H]2N)ncc1C(F)(F)F |r|

BDBM619396

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@H](N)C2)ncc1C(F)(F)F |r|

BDBM619508

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619401

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2[C@H]3CNC[C@@H]23)ncc1C(F)(F)F |r|

BDBM619424

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619378

COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619403

COC(=O)Nc1ccc2c(c[nH]c2c1C#N)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619501

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619502

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619446

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619499

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=O)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619500

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=O)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619445

COC(=O)Nc1ccc2c(c[nH]c2c1C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619411

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619475

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619410

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619464

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1Cl |r|

BDBM619514

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619481

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619521

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619524

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619520

COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619428

COC(=O)Nc1ccc2c(c[nH]c2c1C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619480

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC(F)(F)C1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619479

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619494

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCC(C)NC2)ncc1C(F)(F)F |r|

BDBM619493

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619393

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619495

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619496

COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619460

COC(=O)Nc1ccc2c(c[nH]c2c1C1COC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619462

COC(=O)Nc1ccc2c(c[nH]c2c1CC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|

BDBM619456

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619457

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619532

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|

BDBM619455

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619511

COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619483

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619472

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|

BDBM619482

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619484

COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619497

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619413

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619505

COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619461

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|

BDBM619515

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|

BDBM619504

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619516

COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|

BDBM619390

COC(=O)Nc1ccc2c(c[nH]c2c1P(C)(C)=O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619440

COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)(=O)C(C)C)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|

BDBM619439

COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)(=O)C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619441

COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619442

COC(=O)Nc1ccc2c(c[nH]c2c1SC(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM619438

COCCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM479048

COCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM572108

COc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572120

COc1cc(NC(=O)\C=C\CN(C)C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM479014

COc1cc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM478961

COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(OC)n1 |r|

BDBM478991

COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM572106

COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572116

COc1cc(ccc1NC(=O)\C=C\CN(C)C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572041

COc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572069

COc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572042

COc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572064

COc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM561556

COc1nc(NC2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)cn2)ncc1Cl |r|

BDBM479066

COc1nc(N[C@@H]2CCCN(C2)C(=O)c2cccc(NC(=O)C=C)c2)ncc1Cl |r|

BDBM479061

COc1nc(N[C@@H]2CCCN(C2)C(=O)c2csc(NC(=O)C=C)n2)ncc1Cl |r|

BDBM479084

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#C)cc2)ncc1Cl |r|

BDBM479111

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#CC)cc2)ncc1Cl |r|

BDBM479102

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C3CO3)cc2)ncc1Cl |r|

BDBM478986

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(C)c2)ncc1Cl |r|

BDBM478965

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(Cl)c2)ncc1Cl |r|

BDBM479124

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN(C)C)c2)ncc1C#N |r|

BDBM479104

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN(C)C)c2)ncc1Cl |r|

BDBM479131

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN3CCCC(F)(F)C3)c2)ncc1Cl |r|

BDBM478964

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)-c2cnn(C)c2)ncc1Cl |r|

BDBM478971

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCCCC2)ncc1Cl |r|

BDBM479038

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCN(C)CC2)ncc1Cl |r|

BDBM478970

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCOCC2)ncc1Cl |r|

BDBM478980

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Br |r|

BDBM479141

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C#C |r|

BDBM479120

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C#N |r|

BDBM479059

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C1CC1 |r|

BDBM479007

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479019

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1F |r|

BDBM479110

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\C)cn2)ncc1Cl |r|

BDBM479077

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)c(C)c2)ncc1Cl |r|

BDBM479105

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)c(F)c2)ncc1Cl |r|

BDBM479074

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)cc2)ncc1Cl |r|

BDBM479132

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCCC(F)(F)C3)cc2)ncc1Cl |r|

BDBM479137

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@@H](F)C3)cc2)ncc1Cl |r|

BDBM479135

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@@H](F)C3)cn2)ncc1Cl |r|

BDBM479136

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@H](F)C3)cc2)ncc1Cl |r|

BDBM479134

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@H](F)C3)cn2)ncc1Cl |r|

BDBM479127

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCOCC3)cc2)ncc1Cl |r|

BDBM479133

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCOCC3)cn2)ncc1Cl |r|

BDBM479126

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)cc2)ncc1Cl |r|

BDBM479138

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)nc2)ncc1Cl |r|

BDBM479128

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@H](F)C3)cc2)ncc1Cl |r|

BDBM479130

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@H](F)C3)cn2)ncc1Cl |r|

BDBM478985

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N(C)C(=O)C=C)ncc1Cl |r|

BDBM479086

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N2C(=O)C=CC2=O)ncc1Cl |r,c:24|

BDBM479037

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cn2)N(C)C(=O)C=C)ncc1Cl |r|

BDBM478963

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCCc3c2)C(=O)C=C)ncc1Cl |r|

BDBM478962

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCOc3c2)C(=O)C=C)ncc1Cl |r|

BDBM478987

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCc3c2)C(=O)C=C)ncc1Cl |r|

BDBM479065

COc1nc(N[C@@H]2CCN(C2)C(=O)c2cccc(NC(=O)C=C)c2)ncc1Cl |r|

BDBM479088

COc1nc(N[C@@H]2CCN(C2)C(=O)c2cccc(c2)N2C(=O)C=CC2=O)ncc1Cl |r,c:24|

BDBM478968

COc1nc(N[C@@H]2CCN(C2)C(=O)c2cnc(NC(=O)C=C)s2)ncc1Cl |r|

BDBM478967

COc1nc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)ncc1Cl |r|

BDBM479142

COc1nc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479139

COc1nc(N[C@@H]2C[C@H](C)N(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM572046

CS(=O)(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572068

CS(=O)(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM479068

C[C@@]1(CCN(C1)C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(Cl)cn1 |r|

BDBM572131

C[C@H]1CN(C[C@@H]1Nc1ncc2ccccc2n1)C(=O)c1ccc(NC(=O)C=C)cc1 |r|

BDBM479069

C[C@]1(CCN(C1)C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(Cl)cn1 |r|

BDBM479091

C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM478992

Cc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM572113

Cc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM479015

Cc1cc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM478993

Cc1cc(cc(C)c1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM572110

Cc1cc(cc(F)c1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM479036

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM479040

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(C)n1 |r|

BDBM478989

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479039

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C(F)(F)F |r|

BDBM572127

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|

BDBM572128

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|

BDBM572107

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM479035

Cc1ccc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM572044

Cc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572067

Cc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572043

Cc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572065

Cc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM479021

Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|

BDBM479017

Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM478982

Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|

BDBM479012

Cc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM572123

Clc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM479024

Clc1ccc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM572071

Clc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572038

Clc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572060

Clc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM478998

Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|

BDBM479085

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#C)cc2)nc1 |r|

BDBM479101

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C3CO3)cc2)nc1 |r|

BDBM478966

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(Cl)c2)nc1 |r|

BDBM479063

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OC3CCOC3)c2)nc1 |r|

BDBM479013

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|

BDBM479047

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM479049

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1N1CCC1 |r|

BDBM478981

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|

BDBM479062

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OCCC#N |r|

BDBM479055

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1Oc1ccccc1 |r|

BDBM479093

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)CC#N)cc2)nc1 |r|

BDBM479044

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NS(=O)(=O)C=C)cc2)nc1 |r|

BDBM479100

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N2C(=O)C=CC2=O)nc1 |r,c:24|

BDBM479096

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CCN(C(=O)C=C)c3c2)nc1 |r|

BDBM479090

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CCN(Cc3c2)C(=O)C=C)nc1 |r|

BDBM479092

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CN(CCc3c2)C(=O)C=C)nc1 |r|

BDBM478994

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCOc3c2)C(=O)C=C)nc1 |r|

BDBM478990

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCc3c2)C(=O)C=C)nc1 |r|

BDBM479076

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2cccc(c2)N2C(=O)C=CC2=O)nc1 |r,c:24|

BDBM479054

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)nc1 |r|

BDBM479115

Clc1cnc(N[C@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM479006

Cn1cc(Oc2ccnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)n2)cn1 |r|

BDBM50367676

Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|

BDBM478972

Cn1cc(cn1)-c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM478999

Cn1cc(cn1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)n1 |r|

BDBM479070

Cn1nc(cc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM478995

Cn1nccc1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)n1 |r|

BDBM478984

FC(F)(F)COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479020

FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|

BDBM479143

FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM479060

FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)nc1 |r|

BDBM619384

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(NC(=O)C3CC3)ccc12 |r|

BDBM619394

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCC1=O |r|

BDBM619380

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCC1=O |r|

BDBM619379

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCCC1=O |r|

BDBM619382

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCOC1=O |r|

BDBM619388

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCOC1=O |r|

BDBM619387

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(NC(=O)C3CC3)ccc12 |r|

BDBM619389

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)N1CCCC1=O |r|

BDBM479052

FC(F)(F)c1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479121

FC1(F)CCN(CCOc2cc(ccc2NC(=O)C=C)C(=O)N2CC[C@H](C2)Nc2ncc(Br)cn2)CC1 |r|

BDBM572098

F[C@H]1CN(C[C@@H]1Nc1ncc2ccccc2n1)C(=O)c1ccc(NC(=O)C=C)cc1 |r|

BDBM572097

Fc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|

BDBM572070

Fc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572104

Fc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)ncc2c1 |r|

BDBM572063

Fc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|

BDBM572125

Fc1cccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc12 |r|

BDBM572126

Fc1cccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc12 |r|

BDBM478983

Fc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|

BDBM572048

NC(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572074

NC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM479051

Nc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C(F)(F)F |r|

BDBM479050

Nc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM572105

O=C(Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1)C#C |r|

BDBM572049

OC(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM572073

OC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|

BDBM479097

OCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479057

Oc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|