SMILES for Casein kinase I isoform alpha

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)NC(=O)c2c1-c1ccccc1F)c1ccc(F)cc1 |(2.88,-5.51,;3.67,-4.13,;2.9,-2.8,;3.67,-1.47,;1.36,-2.8,;.59,-1.47,;-.95,-1.47,;-1.72,-.13,;-.95,1.2,;.59,1.2,;1.36,-.13,;-3.26,-.13,;-4.16,-1.38,;-5.63,-.9,;-6.96,-1.67,;-8.3,-.9,;-9.07,-2.24,;-9.83,-.49,;-8.3,.64,;-6.96,1.41,;-6.96,2.95,;-5.63,.64,;-4.16,1.11,;-3.69,2.58,;-4.72,3.72,;-4.24,5.19,;-2.74,5.51,;-1.71,4.36,;-2.18,2.9,;-1.15,1.75,;5.21,-4.13,;5.98,-2.8,;7.52,-2.8,;8.29,-4.13,;9.83,-4.13,;7.52,-5.47,;5.98,-5.47,)|

BDBM625269

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)NC(=O)c2c1-c1cccnc1)c1ccc(F)cc1

BDBM625226

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CC3(CCC3)N(C)C(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625227

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CC3(CCC3)N(C)C(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625228

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CC3(CCC3)N(C)C(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625243

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCN(C)C(=O)c2c1-c1ccc(F)cc1F)c1ccc(F)cc1 |(2.8,-6.22,;3.57,-4.89,;2.8,-3.55,;3.57,-2.22,;1.26,-3.55,;.49,-2.22,;-1.05,-2.22,;-1.82,-.88,;-1.05,.45,;.49,.45,;1.26,-.88,;-3.36,-.88,;-4.26,-2.13,;-5.73,-1.65,;-7.06,-2.42,;-8.4,-1.65,;-8.4,-.11,;-9.73,.66,;-7.06,.66,;-7.06,2.2,;-5.73,-.11,;-4.26,.36,;-3.79,1.83,;-4.82,2.97,;-4.34,4.43,;-2.84,4.75,;-2.36,6.22,;-1.81,3.61,;-2.28,2.15,;-1.25,1,;5.11,-4.89,;5.88,-6.22,;7.42,-6.22,;8.19,-4.89,;9.73,-4.89,;7.42,-3.55,;5.88,-3.55,)|

BDBM625325

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCN(C)C(=O)c2c1-c1ccccc1)c1ccncc1

BDBM625248

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCNC(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625204

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(C)cn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625205

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(C)cn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625206

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(C)cn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625212

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(C)cn(C)c(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM636470

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(C)cn(C)c(=O)c2c1Nc1ccccc1)c1ccc(F)cc1

BDBM625196

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(CC(F)(F)F)cn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625197

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(CC(F)(F)F)cn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625198

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(CC(F)(F)F)cn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625188

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(CC(F)(F)F)cn(C)c(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625189

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(CC(F)(F)F)cn(C)c(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625190

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(CC(F)(F)F)cn(C)c(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625237

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(CC3CC3)cn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625232

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(CC3CC3)cn(C)c(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625220

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(c1-c1ccccc1)C(=O)NCC2(C)C)c1ccc(F)cc1

BDBM629241

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cc(C)c(F)nc2c1-c1ccccn1)c1ccc(F)cc1

BDBM629266

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cc(C)c(F)nc2c1-c1ccccn1)c1ccc(F)cc1

BDBM629290

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cc(Cl)cnc2c1-c1ccccn1)c1ccc(F)cc1

BDBM629285

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccc(F)cn1)c1ccc(F)cc1

BDBM629286

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccc(F)cn1)c1ccc(F)cc1

BDBM629287

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccc(F)cn1)c1ccc(F)cc1

BDBM629240

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccccn1)c1ccc(F)cc1

BDBM629249

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccc1)c1ccc(F)cc1

BDBM629250

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccc1)c1ccc(F)cc1

BDBM629251

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccc1)c1ccc(F)cc1

BDBM629244

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1)c1ccc(F)cc1

BDBM629245

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1)c1ccc(F)cc1

BDBM629246

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1)c1ccc(F)cc1

BDBM625289

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cc(F)c(F)c(F)c1)c1ccc(F)cc1

BDBM625293

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cc(F)cc(F)c1)c1ccc(F)cc1

BDBM625299

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cc(F)ccc1C#N)c1ccc(F)cc1 |(2.8,-5.87,;3.57,-4.53,;2.8,-3.2,;3.57,-1.87,;1.26,-3.2,;.49,-1.87,;-1.05,-1.87,;-1.82,-.53,;-1.05,.8,;.49,.8,;1.26,-.53,;-3.36,-.53,;-4.26,-1.78,;-5.73,-1.3,;-7.06,-2.07,;-8.4,-1.3,;-8.4,.24,;-9.73,1.01,;-7.06,1.01,;-7.06,2.55,;-5.73,.24,;-4.26,.71,;-3.87,2.2,;-4.96,3.29,;-4.56,4.78,;-5.65,5.87,;-3.07,5.18,;-1.98,4.09,;-2.34,2.56,;-.92,1.64,;-.37,-.02,;5.11,-4.53,;5.88,-5.87,;7.42,-5.87,;8.19,-4.53,;9.73,-4.53,;7.42,-3.2,;5.88,-3.2,)|

BDBM625292

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cc(F)ccc1F)c1ccc(F)cc1 |(2.8,-5.87,;3.57,-4.53,;2.8,-3.2,;3.57,-1.87,;1.26,-3.2,;.49,-1.87,;-1.05,-1.87,;-1.82,-.53,;-1.05,.8,;.49,.8,;1.26,-.53,;-3.36,-.53,;-4.26,-1.78,;-5.73,-1.3,;-7.06,-2.07,;-8.4,-1.3,;-8.4,.24,;-9.73,1.01,;-7.06,1.01,;-7.06,2.55,;-5.73,.24,;-4.26,.71,;-3.87,2.2,;-4.96,3.29,;-4.56,4.78,;-5.65,5.87,;-3.07,5.18,;-1.98,4.09,;-2.38,2.6,;-1.29,1.51,;5.11,-4.53,;5.88,-5.87,;7.42,-5.87,;8.19,-4.53,;9.73,-4.53,;7.42,-3.2,;5.88,-3.2,)|

BDBM625297

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(C)s1)c1ccc(F)cc1

BDBM625294

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(Cl)s1)c1ccc(F)cc1

BDBM625286

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(F)c(F)c1)c1ccc(F)cc1

BDBM625272

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625273

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625274

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1

BDBM625317

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(F)nc1)c1ccc(F)cc1

BDBM625291

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(O)cc1)c1ccc(F)cc1

BDBM625278

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cccc(Cl)c1)c1ccc(F)cc1

BDBM625285

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cccc(O)c1)c1ccc(F)cc1

BDBM625275

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625295

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccccc1C#N)c1ccc(F)cc1 |(2.8,-5.52,;3.57,-4.19,;2.8,-2.85,;3.57,-1.52,;1.26,-2.85,;.49,-1.52,;-1.05,-1.52,;-1.82,-.19,;-1.05,1.15,;.49,1.15,;1.26,-.19,;-3.36,-.19,;-4.26,-1.43,;-5.73,-.96,;-7.06,-1.73,;-8.4,-.96,;-8.4,.58,;-9.73,1.35,;-7.06,1.35,;-7.06,2.89,;-5.73,.58,;-4.26,1.06,;-3.87,2.55,;-4.96,3.64,;-4.56,5.12,;-3.07,5.52,;-1.98,4.43,;-2.34,2.91,;-.74,3.45,;.69,3.96,;5.11,-4.19,;5.88,-5.52,;7.42,-5.52,;8.19,-4.19,;9.73,-4.19,;7.42,-2.85,;5.88,-2.85,)|

BDBM625284

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccccc1Cl)c1ccc(F)cc1 |(3.07,-5.52,;3.84,-4.19,;3.07,-2.85,;3.84,-1.52,;1.02,-2.85,;.27,-1.51,;-1.27,-1.51,;-2.04,-.18,;-1.27,1.16,;.27,1.16,;1.04,-.18,;-3.58,-.18,;-4.49,-1.42,;-5.95,-.95,;-7.28,-1.72,;-8.62,-.95,;-8.62,.59,;-10,1.28,;-7.28,1.36,;-7.28,2.9,;-5.95,.59,;-4.49,1.07,;-4.1,2.56,;-5.17,3.67,;-4.74,5.15,;-3.25,5.52,;-2.18,4.41,;-2.6,2.93,;-1.53,1.82,;5.38,-4.19,;6.15,-2.85,;7.69,-2.85,;8.46,-4.19,;10,-4.19,;7.69,-5.52,;6.15,-5.52,)|

BDBM625296

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccccc1O)c1ccc(F)cc1 |(2.8,-5.52,;3.57,-4.19,;2.8,-2.85,;3.57,-1.52,;1.26,-2.85,;.49,-1.52,;-1.05,-1.52,;-1.82,-.19,;-1.05,1.15,;.49,1.15,;1.26,-.19,;-3.36,-.19,;-4.26,-1.43,;-5.73,-.96,;-7.06,-1.73,;-8.4,-.96,;-8.4,.58,;-9.73,1.35,;-7.06,1.35,;-7.06,2.89,;-5.73,.58,;-4.26,1.06,;-3.87,2.55,;-4.96,3.64,;-4.56,5.12,;-3.07,5.52,;-1.98,4.43,;-2.38,2.95,;-1.29,1.86,;5.11,-4.19,;5.88,-5.52,;7.42,-5.52,;8.19,-4.19,;9.73,-4.19,;7.42,-2.85,;5.88,-2.85,)|

BDBM625283

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cccnc1C)c1ccc(F)cc1 |(3.07,-5.52,;3.84,-4.19,;3.07,-2.85,;3.84,-1.52,;1.02,-2.85,;.27,-1.51,;-1.27,-1.51,;-2.04,-.18,;-1.27,1.16,;.27,1.16,;1.04,-.18,;-3.58,-.18,;-4.49,-1.42,;-5.95,-.95,;-7.28,-1.72,;-8.62,-.95,;-8.62,.59,;-10,1.28,;-7.28,1.36,;-7.28,2.9,;-5.95,.59,;-4.49,1.07,;-4.1,2.56,;-5.17,3.67,;-4.74,5.15,;-3.25,5.52,;-2.18,4.41,;-2.6,2.93,;-1.53,1.82,;5.38,-4.19,;6.15,-2.85,;7.69,-2.85,;8.46,-4.19,;10,-4.19,;7.69,-5.52,;6.15,-5.52,)|

BDBM625282

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cccnc1F)c1ccc(F)cc1 |(3.07,-5.52,;3.84,-4.19,;3.07,-2.85,;3.84,-1.52,;1.02,-2.85,;.27,-1.51,;-1.27,-1.51,;-2.04,-.18,;-1.27,1.16,;.27,1.16,;1.04,-.18,;-3.58,-.18,;-4.49,-1.42,;-5.95,-.95,;-7.28,-1.72,;-8.62,-.95,;-8.62,.59,;-10,1.28,;-7.28,1.36,;-7.28,2.9,;-5.95,.59,;-4.49,1.07,;-4.1,2.56,;-5.17,3.67,;-4.74,5.15,;-3.25,5.52,;-2.18,4.41,;-2.6,2.93,;-1.53,1.82,;5.38,-4.19,;6.15,-2.85,;7.69,-2.85,;8.46,-4.19,;10,-4.19,;7.69,-5.52,;6.15,-5.52,)|

BDBM625288

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccco1)c1ccc(F)cc1

BDBM625302

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1cccs1)c1ccc(F)cc1

BDBM625298

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccnc(N)c1)c1ccc(F)cc1

BDBM625287

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccoc1)c1ccc(F)cc1

BDBM625303

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccsc1)c1ccc(F)cc1

BDBM625304

CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1C)c1ccc(F)cc1

BDBM600791

CC(C)(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCNCC1

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM50420283

CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncc4c(N)[nH]nc4n3)c2)[nH]n1

BDBM50390498

CC(C)(C)c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

BDBM5931

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

BDBM50390500

CC(C)(O)c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

BDBM50432001

CC(C)C(=O)N(C(=O)C(C)C)c1n[nH]c(=O)c2ccccc12

BDBM50431997

CC(C)C(=O)Nc1n[nH]c(=O)c2ccccc12

BDBM629239

CC(C)C(C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccccn1)c1ccc(F)cc1

BDBM25017

CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12

BDBM50379186

CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12

BDBM600784

CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1

BDBM629264

CC(C)[C@H](C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccccn1)c1ccc(F)cc1 |r|

BDBM50420301

CC(C)[C@H](N)C(=O)OC[C@H](O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|

BDBM50347388

CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|

BDBM50420300

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12 |r|

BDBM50420297

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NC[C@@H](O)CO)nc12 |r|

BDBM50420298

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCC[C@H](O)[C@@H]3O)nc12 |r|

BDBM50420299

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO |r|

BDBM50531922

CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12

BDBM36409

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

BDBM50531923

CC(C1CC1)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(NCCN(C)C)nc12

BDBM50208911

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

BDBM625217

CC1(C)CNC(=O)c2c1[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625216

CC1(C)CNC(=O)c2c1[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM24773

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

BDBM625262

CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1ccc(Cl)cc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625255

CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1ccc(F)cc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625257

CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1cccc(F)c1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625254

CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1ccccc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625256

CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1ccccc1F)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1 |(-9.07,-2.26,;-8.3,-.92,;-9.83,-.51,;-6.96,-1.69,;-5.63,-.92,;-4.16,-1.4,;-3.26,-.15,;-4.16,1.09,;-5.63,.62,;-6.96,1.39,;-6.96,2.93,;-8.3,.62,;-3.69,2.56,;-4.72,3.7,;-4.24,5.17,;-2.74,5.49,;-1.71,4.34,;-2.18,2.88,;-1.15,1.73,;-1.72,-.15,;-.95,1.18,;.59,1.18,;1.36,-.15,;.59,-1.49,;1.36,-2.82,;2.9,-2.82,;3.67,-1.49,;3.67,-4.15,;5.21,-4.15,;5.98,-2.82,;7.52,-2.82,;8.29,-4.15,;9.83,-4.15,;7.52,-5.49,;5.98,-5.49,;-.95,-1.49,)|

BDBM625265

CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1cccnc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM50235816

CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12

BDBM636459

CC1C=Cc2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1 |c:2|

BDBM50260229

CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)|

BDBM636441

CC1CN(C)C(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636437

CC1CN(C)C(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636438

CC1CN(C)C(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636439

CC1CN(C)C(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625207

CC1CN(C)C(=O)c2c1[nH]c(c2-c1ccc(F)cc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625213

CC1CN(C)C(=O)c2c1[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM600789

CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(CN)CC1

BDBM600788

CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(N)CC1

BDBM600785

CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1

BDBM600782

CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1

BDBM600790

CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCNCC1

BDBM636435

CCC1CNC(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636432

CCC1CNC(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM50432005

CCCCCC(=O)N(C(=O)CCCCC)c1nnc(Cl)c2ccccc12

BDBM50432000

CCCCCC(=O)Nc1n[nH]c(=O)c2ccccc12

BDBM50235830

CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1

BDBM50431992

CCCNc1cc(-c2ccccc2)c(=O)[nH]n1

BDBM50432014

CCCNc1n[nH]c(=O)c2ccccc12

BDBM50432019

CCCNc1n[nH]c(=O)cc1-c1ccccc1

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

BDBM600780

CCN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1

BDBM31085

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

BDBM50161957

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

BDBM10909

CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM50244787

CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|

BDBM10910

CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM25121

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

BDBM636436

CCc1c[nH]c(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM629272

CCc1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1

BDBM25013

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

BDBM50355499

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

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|

BDBM50587736

CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1

BDBM629277

CN(C1CCN(C)CC1)c1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1

BDBM26474

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

BDBM50426338

CN1C(=O)C(c2cccc(Br)c12)c1[nH]c2ccc(cc2c1N=O)C(O)=O

BDBM625253

CN1C(=O)c2c(CC11CC1)[nH]c(c2-c1ccc(F)cc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625252

CN1C(=O)c2c(CC11CC1)[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625223

CN1C(=O)c2c(CC11CCC1)[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625224

CN1C(=O)c2c(CC11CCC1)[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625225

CN1C(=O)c2c(CC11CCC1)[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625322

CN1CC(C)(C)c2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625323

CN1CC(C)(C)c2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625324

CN1CC(C)(C)c2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636448

CN1CC(CC(F)(F)F)c2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636445

CN1CC(CC(F)(F)F)c2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636483

CN1CC(CC(F)(F)F)c2[nH]c(c(Nc3cscn3)c2C1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636477

CN1CC(CC(F)(F)F)c2[nH]c(c(Nc3cscn3)c2C1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625199

CN1CC(CC(F)(F)F)c2[nH]c(c(c2C1=O)-c1ccc(F)cc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625191

CN1CC(CC(F)(F)F)c2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636473

CN1CC(CC(F)F)c2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636449

CN1CC(CC2CC2)c2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636480

CN1CC(CC2CC2)c2[nH]c(c(Nc3cscn3)c2C1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625238

CN1CC(CC2CC2)c2[nH]c(c(c2C1=O)-c1ccc(F)cc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625235

CN1CC(CC2CC2)c2[nH]c(c(c2C1=O)-c1ccc(F)cc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625233

CN1CC(CC2CC2)c2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625229

CN1CC(CC2CC2)c2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM50432016

CN1CCC(CC1)Nc1cc(-c2ccccc2)c(=O)[nH]n1

BDBM50432012

CN1CCC(CC1)Nc1n[nH]c(=O)c2ccccc12

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

BDBM629276

CN1CCN(CC1)c1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1

BDBM600783

CN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1

BDBM600792

CN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCC(C)(C)C

BDBM600797

CN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCc1ccc(F)cc1

BDBM600781

CN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCc1ccccc1

BDBM50463484

CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1

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|

BDBM625301

CN1CCc2[nH]c(c(-c3cnc(C)s3)c2C1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625310

CN1CCc2[nH]c(c(-c3cscn3)c2C1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM415424

CN1CCc2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM415425

CN1CCc2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r|

BDBM636492

CN1CCc2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)[C@@H]2C[C@H]2F)c1 |r|

BDBM625339

CN1CCc2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)[C@H]2C[C@H]2F)c1 |r|

BDBM415423

CN1CCc2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(C)=O)c1

BDBM625300

CN1CCc2[nH]c(c(c2C1=O)-c1cc(F)ccc1C#N)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1 |(-7.42,3.68,;-6.09,2.91,;-6.09,1.37,;-4.75,.6,;-3.42,1.37,;-1.95,.89,;-1.05,2.14,;-1.95,3.38,;-3.42,2.91,;-4.75,3.68,;-4.75,5.22,;-1.56,4.87,;-2.65,5.96,;-2.25,7.45,;-3.34,8.53,;-.76,7.84,;.33,6.75,;-.03,5.23,;1.06,4.14,;2.15,3.05,;.49,2.14,;1.26,3.47,;2.8,3.47,;3.57,2.14,;2.8,.8,;3.57,-.53,;2.8,-1.87,;1.26,-1.87,;3.57,-3.2,;5.11,-3.2,;5.88,-4.53,;5.11,-5.87,;7.42,-4.53,;2.8,-4.53,;1.26,-4.53,;.49,-5.87,;1.26,-7.2,;.49,-8.53,;2.8,-7.2,;3.57,-5.87,;1.26,.8,)|

BDBM625311

CN1CCc2[nH]c(c(c2C1=O)-c1ccc(F)cc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625316

CN1CCc2[nH]c(c(c2C1=O)-c1ccc(F)cc1)-c1ccnc(NC(=O)Cc2ccc(cc2)C(=O)N2CCNCC2)c1

BDBM625240

CN1CCc2[nH]c(c(c2C1=O)-c1ccc(F)cc1F)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1 |(-9.73,1.99,;-8.4,1.22,;-8.4,-.32,;-7.06,-1.09,;-5.73,-.32,;-4.26,-.8,;-3.36,.45,;-4.26,1.69,;-5.73,1.22,;-7.06,1.99,;-7.06,3.53,;-3.79,3.16,;-4.82,4.3,;-4.34,5.77,;-2.84,6.09,;-2.36,7.55,;-1.81,4.94,;-2.28,3.48,;-1.25,2.34,;-1.82,.45,;-1.05,1.78,;.49,1.78,;1.26,.45,;.49,-.88,;1.26,-2.22,;2.8,-2.22,;3.57,-.88,;3.57,-3.55,;2.8,-4.89,;3.57,-6.22,;2.8,-7.55,;5.11,-6.22,;5.11,-3.55,;5.88,-4.89,;7.42,-4.89,;8.19,-3.55,;9.73,-3.55,;7.42,-2.22,;5.88,-2.22,;-1.05,-.88,)|

BDBM625176

CN1CCc2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625175

CN1CCc2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625183

CN1CCc2[nH]c(c(c2C1=O)-c1cccnc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625186

CN1CCc2[nH]c(c(c2C1=O)-c1cccnc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

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

BDBM25117

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

BDBM600787

CNC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCc1ccccc1

BDBM50059889

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM2579

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

BDBM50260228

CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1

BDBM50426328

COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br

BDBM50426327

COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F

BDBM50426329

COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)N(C)c2c1cccc2Br

BDBM50426309

COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br

BDBM50426308

COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2C(F)(F)F

BDBM50426310

COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12

BDBM50426318

COC(=O)c1ccc2[nH]c(C3C(=O)N(C)c4c3cccc4Br)c(N=O)c2c1

BDBM50426322

COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1

BDBM50426321

COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1

BDBM50426312

COC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1

BDBM50026612

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

BDBM50426317

COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br

BDBM50426339

COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F

BDBM629283

COCC(C(=O)Nc1cc(ccn1)-c1[nH]c2cc(F)cnc2c1-c1ccccn1)c1ccc(F)cc1

BDBM629281

COCC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1)c1ccc(F)cc1

BDBM629282

COCCC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1)c1ccc(F)cc1

BDBM625313

COCCN(C)C(=O)c1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3CCN(C)C(=O)c3c2-c2ccc(F)cc2)cc1

BDBM625315

COCCN(C)C(=O)c1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccn(C)c(=O)c3c2-c2ccc(F)cc2)cc1

BDBM625312

COCCNC(=O)c1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3CCN(C)C(=O)c3c2-c2ccc(F)cc2)cc1

BDBM625314

COCCNC(=O)c1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccn(C)c(=O)c3c2-c2ccc(F)cc2)cc1

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

BDBM629274

COCCc1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1

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

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

BDBM50008516

COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|

BDBM50375651

COc1cc(OC)c(\C=C2/C(=O)Nc3ccccc23)c(OC)c1

BDBM50263829

COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1

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

BDBM50016166

COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1

BDBM50331612

COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1

BDBM32362

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

BDBM12621

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

BDBM50087427

COc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1O

BDBM629270

COc1ccc2[nH]c(c(-c3ccccn3)c2n1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM50025015

COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1

BDBM629269

COc1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1

BDBM50400744

COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400750

COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400753

COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400755

COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400757

COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400745

COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400754

COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400756

COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400749

COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400748

COc1cnc(Nc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400747

COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400746

COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400751

COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400752

COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1

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

BDBM50284506

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

BDBM13336

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

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,)|

BDBM629268

C[C@@H](C(=O)Nc1cc(ccn1)-c1[nH]c2cc(C)c(F)nc2c1-c1ccccn1)c1ccc(F)cc1 |r|

BDBM636458

C[C@@H](C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1Nc1ccccc1)c1ccc(F)cc1 |r|

BDBM50420285

C[C@@H](NC(=O)Nc1ccc(Nc2ncc3c(N)[nH]nc3n2)cc1)c1ccccc1 |r|

BDBM50420282

C[C@@H](NC(=O)Nc1cccc(Nc2ncc3c(N)[nH]nc3n2)c1)c1ccccc1 |r|

BDBM50259376

C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|

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|

BDBM106870

C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|

BDBM50537742

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

BDBM629267

C[C@H](C(=O)Nc1cc(ccn1)-c1[nH]c2cc(C)c(F)nc2c1-c1ccccn1)c1ccc(F)cc1 |r|

BDBM636457

C[C@H](C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1Nc1ccccc1)c1ccc(F)cc1 |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|

BDBM173195

Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 |r,c:6|

BDBM629279

Cc1cc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cccnc3c2-c2ccccn2)ccc1F

BDBM629265

Cc1cc2[nH]c(c(-c3ccccn3)c2nc1F)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636462

Cc1cc2[nH]c(c(Nc3ccccc3F)c2c(=O)n1C)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM50242512

Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1

BDBM21079

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

BDBM50390499

Cc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

BDBM625264

Cc1ccc(cc1)-c1c([nH]c2CC(C)(C)NC(=O)c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM13533

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

BDBM50346918

Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO

BDBM625258

Cc1cccc(c1)-c1c([nH]c2CC(C)(C)NC(=O)c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636464

Cc1ccccc1Nc1c([nH]c2c(CC(F)(F)F)cn(C)c(=O)c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636442

Cc1cn(C)c(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636469

Cc1cn(C)c(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625208

Cc1cn(C)c(=O)c2c(c([nH]c12)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1)-c1ccc(F)cc1

BDBM625209

Cc1cn(C)c(=O)c2c(c([nH]c12)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1)-c1ccc(F)cc1

BDBM625210

Cc1cn(C)c(=O)c2c(c([nH]c12)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1)-c1ccc(F)cc1

BDBM625214

Cc1cn(C)c(=O)c2c(c([nH]c12)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1)-c1ccccc1

BDBM50237710

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

BDBM50332294

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

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50235833

Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12

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

BDBM629280

Clc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cccnc3c2-c2ccccn2)cc1

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM24654

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

BDBM357015

Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

BDBM50432004

Clc1nnc(N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)c2ccccc12

BDBM50432003

Clc1nnc(NC(=O)Cc2ccccc2)c2ccccc12

BDBM50432007

Clc1nnc(NC(=O)c2ccccc2)cc1-c1ccccc1

BDBM31088

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

BDBM50191425

Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12 |(16.04,-29.76,;14.79,-28.85,;13.33,-29.34,;12.86,-30.81,;12.42,-28.1,;10.88,-28.11,;9.98,-29.37,;8.5,-28.9,;7.16,-29.67,;5.82,-28.9,;5.82,-27.35,;7.15,-26.58,;8.49,-27.34,;9.97,-26.86,;10.19,-25.33,;8.97,-24.37,;13.32,-26.85,;13,-25.36,;14.13,-24.33,;15.6,-24.8,;15.92,-26.3,;17.39,-26.77,;14.78,-27.32,)|

BDBM50191442

Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Br)c12 |t:5|

BDBM50443871

Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|

BDBM50363167

Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

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|

BDBM625200

Cn1cc(CC(F)(F)F)c2[nH]c(c(-c3ccc(F)cc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625192

Cn1cc(CC(F)(F)F)c2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625193

Cn1cc(CC(F)(F)F)c2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625194

Cn1cc(CC(F)(F)F)c2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625334

Cn1cc(CC(F)(F)F)c2[nH]c(c(-c3ccccn3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636466

Cn1cc(CC(F)(F)F)c2[nH]c(c(Nc3ccccc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636465

Cn1cc(CC(F)(F)F)c2[nH]c(c(Nc3ccccc3)c2c1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625319

Cn1cc(CC(F)F)c2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM636476

Cn1cc(CC(F)F)c2[nH]c(c(Nc3ccccc3)c2c1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625239

Cn1cc(CC2CC2)c2[nH]c(c(-c3ccc(F)cc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625234

Cn1cc(CC2CC2)c2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625230

Cn1cc(CC2CC2)c2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM636463

Cn1cc(CC2CC2)c2[nH]c(c(Nc3ccccc3)c2c1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625251

Cn1cc(Cl)c2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM50390497

Cn1cc(cn1)-c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

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|

BDBM625305

Cn1ccc2[nH]c(c(-c3ccc(Cl)s3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625279

Cn1ccc2[nH]c(c(-c3ccc(F)cc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625280

Cn1ccc2[nH]c(c(-c3ccc(F)cc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625281

Cn1ccc2[nH]c(c(-c3ccc(F)cc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625180

Cn1ccc2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM625179

Cn1ccc2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625318

Cn1ccc2[nH]c(c(-c3ccccn3)c2c1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

BDBM625290

Cn1ccc2[nH]c(c(-c3cccnc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1

BDBM50355497

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

BDBM50553499

Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)|

BDBM50536675

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

BDBM50235817

FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12

BDBM50235820

FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12

BDBM50025019

FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1

BDBM50426306

FC(F)(F)c1cccc2C(C(=O)Nc12)=C1Nc2ccc(cc2C1=O)-c1nnn[nH]1 |w:14.16|

BDBM50426319

FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)-c1nnn[nH]1

BDBM50426320

FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)C#N

BDBM50426324

FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccccc2c1N=O

BDBM50426307

FC(F)(F)c1cccc2\C(C(=O)Nc12)=C1\Nc2ccc(cc2C1=O)C#N

BDBM124350

FC(F)(F)c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

BDBM625328

FC(F)CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCN(C3CC3)C(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM625249

FC(F)CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCNC(=O)c2c1-c1ccccc1)c1ccc(F)cc1

BDBM636452