SMILES for Androgen receptor

Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)|

BDBM18163

Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc(C#N)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;21.55,-7.96,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)|

BDBM18164

Oc1c2CCCn2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |(-3.62,5.53,;-3.62,3.99,;-4.86,3.09,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-2.85,1.62,;-1.94,.38,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,)|

BDBM18165

O[C@@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wD:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)|

BDBM18166

O[C@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wU:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)|

BDBM18167

OC1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|

BDBM18168

O[C@@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|

BDBM18169

O[C@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|

BDBM18170

OC1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|

BDBM18171

O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|

BDBM18172

O[C@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|

BDBM18173

Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |r,wU:12.13,(.01,.36,;.81,1.67,;2.35,1.63,;3.09,.28,;3.16,2.94,;2.42,4.3,;.88,4.34,;.08,3.02,;-1.46,3.02,;-1.94,4.49,;-1.03,5.73,;-3.48,4.49,;-4.72,5.39,;-4.72,6.93,;-5.97,4.49,;-5.5,3.02,;-3.95,3.02,;-2.71,2.12,;-2.71,.58,;4.7,2.9,;6.24,2.9,)|

BDBM18174

[H][C@]12CN(C(=O)N1CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r|

BDBM18175

[H][C@]12CN(C(=O)[C@@]1([H])CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r|

BDBM18176

[H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|

BDBM18177

[H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r|

BDBM18178

[H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|

BDBM18179

[H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2C)c1ccc(C#N)c(Cl)c1C |r|

BDBM18180

[H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2CC)c1ccc(C#N)c(Cl)c1C |r|

BDBM18181

[H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|

BDBM18182

[H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|

BDBM18183

[H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r|

BDBM18184

[H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|

BDBM18185

[H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2CC)c1ccc(C#N)c(Cl)c1C |r|

BDBM18186

[H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|

BDBM18187

[H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2C(C)C)c1ccc(C#N)c(Cl)c1C |r|

BDBM18188

[H][C@@]12[C@@H](O)CCN1C(=O)C(=C2C)c1ccc(C#N)c(Cl)c1C |r,c:10|

BDBM18189

[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:20|

BDBM18190

CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM18191

FC(F)(F)c1cc(=O)[nH]c2cc3OCCNc3cc12

BDBM18192

CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM18193

CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM18194

CCCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM18195

CC(C)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM18196

CC(C)(C)N1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM18197

FC(F)(F)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM18198

FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(CC4CC4)c3cc12

BDBM18199

FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(Cc4ccccc4)c3cc12

BDBM18200

CC1CN(C)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F

BDBM18201

CC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F

BDBM18202

CCC1CN(C)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F

BDBM18203

CCC1CN(CC)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F

BDBM18204

CCC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F

BDBM18205

C[C@H]1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F |r|

BDBM18206

C[C@@H]1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F |r|

BDBM18208

CC1COc2cc3[nH]c(=O)cc(c3cc2N1)C(F)(F)F

BDBM18209

CCN1C(C)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM18210

CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC)C(F)(F)F

BDBM18211

CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F

BDBM18212

CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F

BDBM18213

CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM18214

CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM18215

C[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|

BDBM18216

C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|

BDBM18217

CC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|

BDBM18218

CC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|

BDBM18219

CC(C)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|

BDBM18220

CC(C)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|

BDBM18221

FC(F)(F)c1cc(=O)[nH]c2cc3OC[C@H]4CCCN4c3cc12 |r|

BDBM18222

FC(F)(F)c1cc(=O)[nH]c2cc3OCC4CCCCN4c3cc12

BDBM18516

FC(F)(F)c1cc(=O)[nH]c2ccc(cc12)N1CCCC1

BDBM18517

CC1CCCN1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18518

C[C@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|

BDBM18519

C[C@@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|

BDBM18520

C[C@@H]1CC[C@H](CO)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|

BDBM18521

C[C@@H]1CC[C@H](CCl)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|

BDBM18522

C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|

BDBM18523

C[C@@H]1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|

BDBM18524

c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F

BDBM18526

Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18527

CCCNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18528

CC(C)Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18529

CN(C)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18530

CCN(CC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18531

CCCN(CCC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18532

CCCCN(CCCC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18533

CCN(C(C)C)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18534

FC(F)(F)c1cc(=O)[nH]c2ccc(cc12)N(CC1CC1)CC1CC1

BDBM18535

CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18536

FC(F)(F)CN(CC1CC1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18537

CC1(C)Nc2cc3[nH]c(=O)cc(c3cc2C=C1)C(F)(F)F |c:17|

BDBM18538

CCC1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM18539

CCCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18540

Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18541

CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18542

CCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18543

CCCCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18544

CC(C)Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18545

CC(C)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18546

CC(C)(C)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18547

CCC(C)(C)Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18548

CC(C)(Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F)C=C

BDBM18549

FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCC3)ccc12

BDBM18550

FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCC3)ccc12

BDBM18551

FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCCC3)ccc12

BDBM18552

FC(F)(F)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18553

FC(F)(F)c1cc(=O)[nH]c2cc(NCC(F)(F)C(F)(F)F)ccc12

BDBM18554

FC(F)(F)c1cc(=O)[nH]c2cc(NCc3ccccc3)ccc12

BDBM18555

CN(C)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18556

CCN(CC)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18557

CCN(CC(F)(F)F)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18558

CCCN(CC(F)(F)F)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F

BDBM18559

Cc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F

BDBM18560

CCc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F

BDBM18561

CCCc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F

BDBM18562

CCC(C)c1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F

BDBM18563

CCCNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F

BDBM18564

CC(C)CNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F

BDBM18565

CCc1cc2c(cc(=O)[nH]c2cc1NC)C(F)(F)F

BDBM18566

CCc1cc2c(cc(=O)[nH]c2cc1NCC(F)(F)F)C(F)(F)F

BDBM18567

FC(F)(F)CNc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM18568

FC(F)(F)CN(CC(F)(F)F)c1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM18570

CCNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18571

FC(F)(F)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18572

FC(F)(F)c1cc(=O)[nH]c2ccc(NCC(F)(F)C(F)(F)F)cc12

BDBM18573

FC(F)(F)c1cc(=O)[nH]c2ccc(NC3CCCC3)cc12

BDBM18574

CC(C)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18575

CC(C)(C)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18578

FC(F)CN(CC(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18579

FC(F)CN(CC(F)(F)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18580

CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18582

CCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18583

CCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18584

CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18585

CC(C)(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18586

CC(C)(C)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18587

CCC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18588

FC(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18589

FC(F)(F)CN(CCCl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18590

FC(F)(F)CN(CC(Cl)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18591

FC(F)(F)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18592

FC(F)(F)CN(CC(F)(F)C(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18593

OCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18594

FC(F)(F)CN(Cc1ccccc1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18595

FC(F)(F)CN(Cc1cccs1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18596

CCOC(=O)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18597

FC(F)(F)CN(C(=O)C(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18598

CCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18599

CCN(C(C)C(C)=O)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

BDBM18600

FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)ccc2c1

BDBM18601

Cc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F

BDBM18602

CCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F

BDBM18603

CCCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F

BDBM18604

CC(C)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F

BDBM18605

FC(F)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F

BDBM18606

FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Cl)c2c1

BDBM18607

FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Br)c2c1

BDBM18608

COc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F

BDBM18609

Oc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F

BDBM18610

C[C@@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F |r|

BDBM18611

C[C@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F |r|

BDBM18612

C[C@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|

BDBM18613

C[C@@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|

BDBM18614

CC(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C)c2c1

BDBM18616

COc1c(O)ccc2O\C(=C/c3sccc3CO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:28|

BDBM18617

COCc1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:30|

BDBM18628

COc1c(O)ccc2O\C(=C/c3sccc3C(O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:32|

BDBM18632

COc1c(O)ccc2O\C(=C/c3sccc3C(C)O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|

BDBM18622

COc1c(O)ccc2OC(=Cc3sccc3C(C)N=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |w:10.10,t:30|

BDBM18623

CO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32|

BDBM18626

CC\C=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32|

BDBM18634

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(F)cc1F)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18635

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccccn1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18636

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18637

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncc1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18638

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ncccn1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18639

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncn1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18640

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncnc1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18641

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc[n+]([O-])c1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18642

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1C)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18643

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cnccc1C)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18644

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncc(C)c1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18645

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(C)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18646

COc1ncccc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18647

COc1ccncc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18648

COc1cncc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM18649

COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|

BDBM18650

CSc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|

BDBM18651

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(Cl)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18652

COC(=O)c1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|

BDBM18653

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(C)=O)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18654

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C#N)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18655

CC1CN(C(C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F

BDBM18656

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18657

C[C@H]1CN([C@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18658

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(=O)[nH]c1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18659

C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(N)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18661

CC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM18663

C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18664

C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18665

CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM18666

CC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM18667

CCC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM18668

C[C@](O)(COc1ccc(Cl)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18669

C[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18670

C[C@](O)(COc1ccc(I)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18671

Cc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM18672

COc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM18673

CC(C)(C)OC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM18674

C[C@](O)(COc1ccc(cc1)-c1ccc2[nH]ccc2c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18675

CC(O)(COc1ccc([N-]C#[S+])cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM18676

C[C@](O)(CNc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18677

CC(=O)Nc1ccc(NC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM18678

C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18679

C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18680

C[C@](O)(CSc1cccc(N)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18681

C[C@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18682

C[C@](O)(CSc1cccc(c1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18683

C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18684

C[C@](O)(CS(=O)(=O)c1cccc(c1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18685

C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18686

C[C@](O)(CSc1cccc(NC(=O)CCl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18687

C[C@](O)(CSc1ccc(NC(=O)CBr)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18688

C[C@](O)(CSc1cccc(NC(=O)CBr)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18689

C[C@](O)(CS(=O)(=O)c1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18690

C[C@](O)(CS(=O)(=O)c1cccc(NC(=O)CCl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18691

C[C@](O)(CS(=O)(=O)c1ccc(NC(=O)CBr)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18692

C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O

BDBM18693

C[C@@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18694

C[C@@](O)(CSc1cccc(N)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18695

C[C@@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18696

C[C@@](O)(CSc1cccc(c1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18697

C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18698

C[C@](O)(CBr)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18699

C[C@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18700

C[C@](O)(CI)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM18701

C[C@](O)(CI)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM18627

CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|

BDBM19233

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20|

BDBM19234

Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1

BDBM19237

Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1

BDBM19238

Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F

BDBM19239

C[C@@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM19240

C[C@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM19241

C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM19242

C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM19243

C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM19244

C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM19245

C[C@](O)(COc1ccc(cc1F)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM19246

C[C@](O)(COc1ccc(cc1Cl)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM19247

CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM19248

C[C@](O)(CNc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM19249

CN(C[C@](C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)c1ccc(cc1)N=C=S |r|

BDBM19250

C[C@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM19251

C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM25428

CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM25430

Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM25431

COc1cc(ccc1C#N)-c1ccccc1O

BDBM25432

C[C@@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |r|

BDBM25433

O[C@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM25434

OC1CCCCC1c1ccc(C#N)c(c1)C(F)(F)F

BDBM25435

O[C@H]1CCCC[C@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM25436

O[C@@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM25437

FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r|

BDBM26259

C[C@](O)(COc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM26260

C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(I)c1 |r|

BDBM26261

C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM26262

C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|

BDBM391730

FC(F)(F)c1cc(ccc1C#N)N1CCc2c(C1)ncnc2Nc1ncns1

BDBM391748

CC(C)Oc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM391749

COc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM391750

FC(F)(F)c1cc(ccc1C#N)N1CCc2c(C1)ncnc2Nc1cccc(c1)-c1ccccc1

BDBM391751

CC(C)(O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1F

BDBM391752

CC(C)(O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Cl)c2)nn1

BDBM391753

CC(C)(O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM391754

CC(C)(O)c1sc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1C(F)(F)F

BDBM391755

CC(C)(O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Cl)c2)nc1

BDBM391758

CC(C)(O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nn1

BDBM391759

FC(F)(F)CNC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM391760

OC1(CC1)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM391761

CC(C)Oc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cn1

BDBM391762

Cn1nccc1CCOc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM391763

FC(F)(F)c1cc(ccc1C#N)N1CCc2c(C1)ncnc2Nc1ccc(OCCn2ccnn2)nc1

BDBM391764

CC(C)(COc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cn1)n1cnnn1

BDBM391765

CC(C)(COc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1)n1cnnn1

BDBM391766

CS(=O)(=O)N1CCN(CCCOc2ccc(Nc3ncnc4CN(CCc34)c3ccc(C#N)c(c3)C(F)(F)F)cc2)CC1

BDBM391767

FC(F)(F)c1cc(ccc1C#N)N1CCc2c(C1)ncnc2Nc1ccc(cn1)S(=O)(=O)NC1CC1

BDBM391768

FC(F)(F)c1cc(ccc1C#N)N1CCc2c(C1)ncnc2Nc1ncc(s1)S(=O)(=O)N1CCCOCC1

BDBM391769

FC(F)(F)COC(=O)Nc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM391770

FC(F)(F)CNC(=O)Cc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM391771

FC(F)(F)CC(=O)Nc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM391772

FC(F)(F)CNC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nn1

BDBM391773

FC(F)(F)CNC(=O)c1cnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nn1

BDBM391774

FC(F)(F)CNC(=O)c1sc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1C(F)(F)F

BDBM391775

FC(F)CNC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM391776

FC(F)CNC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nn1

BDBM391777

O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Cl)c2)nn1 |r,wU:4.7,wD:1.0,(12.05,5.77,;10.71,5,;9.38,5.77,;8.05,5,;8.05,3.46,;9.38,2.69,;10.71,3.46,;6.71,2.69,;5.38,3.46,;5.38,5,;4.05,2.69,;2.71,3.46,;1.38,2.69,;1.38,1.15,;.04,.39,;-1.29,1.15,;-1.29,2.69,;-2.62,3.46,;-3.96,2.69,;-3.96,1.15,;-5.29,.39,;-5.29,-1.15,;-3.96,-1.92,;-2.62,-1.15,;-2.62,.39,;-6.62,-1.92,;-7.96,-1.15,;-9.29,-1.92,;-9.34,-3.49,;-10.67,-4.26,;-12.01,-5.03,;-7.96,-4.23,;-7.96,-5.77,;-6.62,-3.46,;2.71,.39,;4.05,1.15,)|

BDBM391778

FC(F)(F)CNC(=O)c1ccnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)c1

BDBM391779

CC(C)(O)CNC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nn1

BDBM391780

CC(C)(O)CNC(=O)c1cnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cn1

BDBM391781

CC(C)(O)CNC(=O)c1cnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM391782

Cn1nccc1CCNC(=O)c1nnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)s1

BDBM391783

FC(F)(F)c1csc(CNC(=O)c2ccc(Nc3ncnc4CN(CCc34)c3ccc(C#N)c(c3)C(F)(F)F)nc2)n1

BDBM391784

C[C@@H](NC(=O)c1sc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1C(F)(F)F)c1nnco1 |r|

BDBM391785

C[C@@H](NC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1)c1nnco1 |r|

BDBM391786

C[C@@H](NC(=O)c1nnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)s1)c1nnco1 |r|

BDBM391787

C[C@@H](NC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)nc1)c1nnc(o1)C(F)(F)F |r|

BDBM391788

CC(C)(O)C1CCN(CC1)C(=O)c1coc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)n1

BDBM391789

CC(C)(O)C1CCN(CC1)C(=O)c1cnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)o1

BDBM391791

CC(C)(O)C1CCN(CC1)C(=O)c1nnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)o1

BDBM391792

CC(C)(O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Br)c2)nc1

BDBM391793

CC(C)(O)c1cnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Cl)c2)cc1F

BDBM391794

CC(C)(O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Cl)c2)nc1F

BDBM391795

CC(C)(O)c1cnc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cc1F

BDBM391796

FC(F)CNC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cn1

BDBM391797

FC(F)(F)CNC(=O)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Cl)c2)nn1

BDBM391798

CC(C)(COc1ncc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cc1F)n1cnnn1

BDBM391799

CC(C)(COc1ncc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cc1F)n1ccnn1

BDBM391800

CC(C)(COc1ncc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(c2)C(F)(F)F)cc1Cl)n1cnnn1

BDBM391802

CC(C)(COc1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Cl)c2)nc1)n1cnnn1

BDBM391803

OC1(CCC1)c1ccc(Nc2ncnc3CN(CCc23)c2ccc(C#N)c(Cl)c2)nc1F

BDBM29318

[H][C@]12CO\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r|

BDBM29319

[H][C@]12CO\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@@H]2O |r|

BDBM29320

Cc1c(Cl)c(ccc1\N=C1/O[C@H]([C@@H]2[C@@H](O)CCN12)C(F)(F)F)C#N

BDBM29321

[H][C@@]12[C@@H](O)CCN1\C(O[C@@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|

BDBM29322

[H][C@@]12[C@H](O)CCN1\C(O[C@@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|

BDBM29323

[H][C@@]12[C@H](O)CCN1\C(O[C@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|

BDBM29324

[H][C@@]12[C@H](O)CCN1\C(O[C@@H]2C(C)C)=N\c1ccc(C#N)c(Cl)c1C |r|

BDBM29325

[H][C@]12CN=C(Nc3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r,t:3|

BDBM29326

[H][C@]12CN(C)\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r|

BDBM29327

[H][C@]12CN(C(N)=O)C(=Nc3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r,w:8.8|

BDBM29328

[H][C@@]12[C@@H](O)CCN1\C(=N/C#N)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|

BDBM35885

OC(=O)c1ccc(c2c1[nH]c1ccccc1c2=O)C(F)(F)F

BDBM35886

OC(=O)c1cccc2Sc3ccc(cc3Nc12)C(F)(F)F

BDBM35887

OC(=O)c1ccccc1Nc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1

BDBM35888

OC(=O)c1ccccc1Nc1ccc(Sc2ccccc2)cc1

BDBM35889

OC(=O)c1ccccc1Nc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1

BDBM35890

CCCCCCOc1ccc(Nc2ccccc2C(O)=O)cc1

BDBM35891

CCCCCCc1ccc(Nc2ccccc2C(O)=O)cc1

BDBM35892

Cc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2)cc1

BDBM35893

OC(=O)c1ccccc1Nc1ccc(Cc2ccccc2)cc1

BDBM35894

OC(=O)c1ccccc1Nc1ccc(Oc2ccc(F)cc2)cc1

BDBM35895

CCCCCOC(=O)c1ccc(Nc2ccccc2C(O)=O)cc1

BDBM35896

OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)cc1

BDBM35897

OC(=O)c1ccccc1Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM35898

OC(=O)c1ccccc1Nc1ccccc1[N+]([O-])=O

BDBM35899

OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)c(c1)C(F)(F)F

BDBM35900

OC(=O)c1ccccc1Nc1ccc(Oc2cccnc2)cc1

BDBM35901

OC(=O)c1ccccc1Nc1ccc(cc1)[N+]([O-])=O

BDBM35902

OC(=O)c1ccccc1Nc1ccc(SC(F)(F)F)cc1

BDBM35903

OC(=O)c1ccccc1Nc1ccccc1Sc1ccccc1

BDBM35904

OC(=O)c1ccccc1Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1

BDBM35905

Cc1c(cccc1Cl)Nc2ccccc2C(=O)O

BDBM35906

COc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2C(F)(F)F)cc1

BDBM35907

OC(=O)c1ccccc1Nc1cccc(c1)-c1ccccc1

BDBM35908

OC(=O)c1ccccc1Nc1ccccc1OCc1ccccc1

BDBM35910

OC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1

BDBM35911

OC(=O)c1ccccc1Nc1ccc(cc1)C(F)(F)F

BDBM35912

OC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1

BDBM35913

OC(=O)c1ccccc1Nc1ccccc1Oc1ccccc1

BDBM35914

OC(=O)c1ccccc1Nc1cccc(Cc2ccccc2)c1

BDBM35916

CC(C)(C)c1ccc(Nc2ccccc2C(O)=O)cc1

BDBM35917

OC(=O)c1ccccc1Nc1ccc2ccccc2c1

BDBM35918

COc1ccccc1Oc1ccc(Nc2ccccc2C(O)=O)cc1C(F)(F)F

BDBM35919

OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1

BDBM17636

c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F

BDBM86679

CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22|

BDBM86680

CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28|

BDBM50025452

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C

BDBM104026

CC1(C)N(Cc2ccc(cc2)-c2cn(CCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104027

CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104028

CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104029

CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104030

CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104031

CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104032

CC1(C)N(CCCCc2cn(CCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104033

CC1(C)N(CCCCc2cn(CCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104034

CC1(C)N(CCCCc2cn(CCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104035

CC1(C)N(CCCCc2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104036

CC1(C)N(CCCCc2cn(CCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM104037

CC1(C)N(CCCCc2cn(CCCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50135908

CC1(C)NC(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM112791

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccccc1 |r|

BDBM112792

COc1ccc(cc1)-c1nnc(o1)[C@H](Nc1ccc([N+]#[C-])c(Cl)c1C)[C@H](C)O |r|

BDBM112793

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccccc1 |r|

BDBM112794

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(Cl)cc1 |r|

BDBM112795

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)cc1 |r|

BDBM112796

COc1cccc(c1)-c1nnc(o1)[C@H](Nc1ccc([N+]#[C-])c(Cl)c1C)[C@H](C)O |r|

BDBM112797

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1cccc(O)c1 |r|

BDBM112798

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(O)cc1 |r|

BDBM112799

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1cccc(O)c1 |r|

BDBM112800

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(O)cc1 |r|

BDBM112801

CCc1c(N[C@H]([C@H](C)O)c2nnc(o2)-c2ccccc2)ccc([N+]#[C-])c1Cl |r|

BDBM112802

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1)c1nnc(o1)-c1ccccc1 |r|

BDBM112803

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c2ccccc12)c1nnc(o1)-c1ccccc1 |r|

BDBM112804

Cc1c(N[C@@H](c2nnc(o2)-c2ccccc2)C(C)(C)O)ccc([N+]#[C-])c1Cl |r|

BDBM112805

Cc1c(N[C@@H](c2nnc(o2)-c2ccc(Cl)cc2)C(C)(C)O)ccc([N+]#[C-])c1Cl |r|

BDBM112806

C[C@H](O)[C@@H](Nc1ccc(C#N)c(c1)C(F)(F)F)c1nnc(o1)-c1ccccc1 |r|

BDBM112807

Cc1c(N[C@H](CO)c2nnc(o2)-c2ccccc2)ccc([N+]#[C-])c1Cl |r|

BDBM112884

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nc(no1)-c1ccccc1 |r|

BDBM112808

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)cc1 |r|

BDBM112809

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(Cl)cc1 |r|

BDBM112810

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1cccc(Cl)c1 |r|

BDBM112811

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112812

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112813

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)S(C)(=O)=O |r|

BDBM112814

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)S(C)(=O)=O |r|

BDBM112815

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(s1)-c1ccccc1 |r|

BDBM112816

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(s1)-c1ccccc1 |r|

BDBM112817

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(s1)-c1ccc(F)cc1 |r|

BDBM112818

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(O)c(F)c1 |r|

BDBM112819

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(O)c(Cl)c1 |r|

BDBM112820

C[C@@H](O)[C@@H](Nc1ccc(C#N)c(c1C)C(F)(F)F)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112821

C[C@@H](O)C(Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(Cl)c(Cl)c1 |r|

BDBM112822

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(o1)-c1ccccc1 |r|

BDBM112823

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(o1)-c1ccc(Cl)cc1 |r|

BDBM112824

C[C@@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(F)cc1F |r|

BDBM112825

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1ncc(o1)-c1ccccc1 |r|

BDBM112826

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(O)c(Cl)c1 |r|

BDBM112827

Cc1c(NC(C(O)c2ccccc2)c2nnc(o2)-c2ccccc2)ccc([N+]#[C-])c1Cl

BDBM112828

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)c(F)c1 |r|

BDBM112829

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)c(O)c1 |r|

BDBM112830

C[C@@H](O)C(Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)c(O)c1 |r|

BDBM112831

C[C@H](O)[C@@H](Nc1ccc(C#N)c(c1C)C(F)(F)F)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112832

C[C@H](O)C(Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(C)o1 |r|

BDBM112833

C[C@@H](O)[C@@H](Nc1ccc(C#N)c(c1)C(F)(F)F)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112834

C[C@H](O)[C@@H](Nc1ccc(C#N)c(c1)C(F)(F)F)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112835

C[C@@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112836

CCc1c(N[C@H]([C@H](C)O)C2=NOC(O2)c2ccc(cc2)C#N)ccc(C#N)c1Cl |r,t:9|

BDBM112837

C[C@H](O)C(Nc1ccc(C#N)c(Cl)c1)c1nnc(o1)-c1ccc(cc1)S(C)(=O)=O |r|

BDBM112885

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(CO)cc1 |r|

BDBM112838

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112839

C[C@@H](O)[C@@H](Nc1ccc(C#N)c2ccccc12)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112840

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c2ccccc12)c1nnc(o1)-c1ccccc1 |r|

BDBM112841

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)-n1cccn1 |r|

BDBM112842

CCc1c(N[C@H]([C@@H](C)O)c2nnc(o2)-c2ccc(cc2)[N+]#[C-])ccc([N+]#[C-])c1Cl |r|

BDBM112843

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(Cl)c(Cl)c1 |r|

BDBM112844

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(Br)cc1 |r|

BDBM112845

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(I)cc1 |r|

BDBM112846

Cc1c(N[C@H](CO)c2nnc(o2)-c2ccc(cc2)[N+]#[C-])ccc([N+]#[C-])c1Cl |r|

BDBM112847

C[C@@H](O)[C@@H](Nc1ccc(C#N)c(c1)C(F)(F)F)c1nnc(o1)-c1ccc(cc1)S(C)(=O)=O |r|

BDBM112848

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112849

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112850

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccc(F)cc1 |r|

BDBM112851

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccccc1 |r|

BDBM112852

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccc(F)cc1 |r|

BDBM112853

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccccc1 |r|

BDBM112854

CCCC(=O)O[C@H](C)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)c(OC(=O)CCC)c1 |r|

BDBM112855

CCCC(=O)O[C@@H](C)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(OC(=O)CCC)c(Cl)c1 |r|

BDBM112856

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C(F)(F)F |r|

BDBM112857

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(NC(=O)c2ccccc2)cc1 |r|

BDBM112858

C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(NC(C)=O)cc1 |r|

BDBM112859

CCCC(=O)Nc1ccc(cc1)-c1nnc(o1)[C@H](Nc1ccc([N+]#[C-])c(Cl)c1C)[C@@H](C)O |r|

BDBM112860

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(OS([O-])(=O)=O)cc1 |r|

BDBM112861

C[C@H](OC(C)=O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(OC(C)=O)cc1 |r|

BDBM112862

CCCC(=O)O[C@@H](C)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(OC(=O)CCC)cc1 |r|

BDBM112863

C[C@H](OC(=O)c1ccccc1)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(OC(=O)c2ccccc2)cc1 |r|

BDBM112886

C[C@H](OC(C)=O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccccc1 |r|

BDBM112864

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(NC(=O)c2ccccc2)cc1 |r|

BDBM112865

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(NC(C)=O)cc1 |r|

BDBM112866

Cc1c(N[C@H](CCO)c2nnc(o2)-c2ccc(cc2)[N+]#[C-])ccc([N+]#[C-])c1Cl |r|

BDBM112867

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C=C)c1nnc(o1)-c1ccc(cc1)[N+]#[C-] |r|

BDBM112868

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1cccc(F)c1 |r|

BDBM112869

CCCC(=O)O[C@@H](C)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccccc1 |r|

BDBM112870

C[C@H](OC(=O)c1ccccc1)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccccc1 |r|

BDBM112871

CCC(=O)O[C@@H](C)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccccc1 |r|

BDBM112872

CCCC(=O)O[C@@H](C)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112873

CCC(=O)O[C@@H](C)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112874

C[C@H](OC(=O)c1ccccc1)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112875

C[C@H](OC(C)=O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112877

C[C@H](OS(N)(=O)=O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccccc1 |r|

BDBM112880

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(NS(O)(=O)=O)cc1 |r|

BDBM112881

C[C@@H](OS(N)(=O)=O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(NS(O)(=O)=O)cc1 |r|

BDBM112882

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c2scc(Cl)c12)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM112883

C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc2[nH]ccc2c1 |r|

BDBM142632

[H][C@@]12C3CC3C3=CC(=O)CC[C@]3(C)C1CC[C@@]1(C)C2C2CC2[C@@]11CCC(=O)C1 |r,t:6|

BDBM142633

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:6,26,t:8|

BDBM142634

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:24,t:3|

BDBM142635

CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:25,t:4|

BDBM142636

C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,28|

BDBM142637

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OC(=O)C=C1 |r,c:29,t:8|

BDBM142638

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:27,t:9|

BDBM142639

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,14,27|

BDBM142640

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,28|

BDBM142641

CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:26,t:4|

BDBM142643

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,29|

BDBM142644

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,31|

BDBM142645

C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,30|

BDBM142646

CC[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:9,28|

BDBM142647

C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:8,27|

BDBM142648

CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|

BDBM142649

CC[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:30,t:12|

BDBM142650

C[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:28,t:10|

BDBM142651

C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|

BDBM145862

CCCCCC(O)[C@@H]1C2CC3=C(COC(\C=C\C)=C3)C(=O)[C@]2(C)OC1=O |r,c:17,t:10|

BDBM150275

C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |r,t:10|

BDBM150276

C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:8|

BDBM150277

CC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:3|

BDBM150278

CCC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:4|

BDBM150279

C[C@]12CCC3C4CCC(=O)C=C4CC(C=C)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|

BDBM150280

C[C@]12CCC3C4CCC(=O)C=C4CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|

BDBM150281

C[C@]12CCC3C(C[C@@H](CO)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:10|

BDBM150282

C[C@]12CCC3C(CC4(CC4)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:11|

BDBM150283

C[C@]12CCC3C4CCC(=O)C=C4[C@@H]4C[C@@H]4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|

BDBM150284

C[C@]12CCC3C4CCC(=O)C=C4C4CC4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|

BDBM50331705

CC1(O)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21

BDBM50331706

CC1(O)CCCc2c1[nH]c1ccc(cc21)C#N

BDBM50331708

OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F

BDBM50331707

OC1(CCCc2c1[nH]c1ccc(cc21)C#N)C(F)(F)F

BDBM50331709

OC1(CCCc2c1[nH]c1ccc(Cl)c(Cl)c21)C(F)(F)F

BDBM50331710

OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)C(F)(F)F

BDBM50331711

OC1(CCCc2c1[nH]c1ccc(cc21)C#N)C(F)(F)C(F)(F)F

BDBM50331701

OC1(CCCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F

BDBM151587

O[C@]1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F

BDBM151588

O[C@@]1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F

BDBM151589

O[C@@]1(CCCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F

BDBM50331703

OC1(CCCCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F

BDBM151590

OC1(C(F)CCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F

BDBM50331702

OC1(CCCc2c1[nH]c1c(Cl)ccc(Cl)c21)C(F)(F)F

BDBM151591

OC1(CCCc2c1[nH]c1ccc(F)c(Cl)c21)C(F)(F)F

BDBM151592

OC1C(F)CC(c2c1[nH]c1ccc(Cl)c(Cl)c21)C(F)(F)F

BDBM151593

OC1(CCCc2c1[nH]c1cc(Cl)c(F)cc21)C(F)(F)F

BDBM50331704

OC1(CCCc2c1[nH]c1c(Cl)cc(F)cc21)C(F)(F)F

BDBM151594

OC1(C(CCc2c1[nH]c1c(Cl)cc(F)cc21)C(F)(F)F)C(F)(F)F

BDBM151595

OC1(c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1(F)F)C(F)(F)F

BDBM50331712

OC1(c2[nH]c3c(Cl)cc(Cl)cc3c2CCC1(F)F)C(F)(F)F

BDBM151596

OC1(CCCc2c1[nH]c1c(Cl)cc(Cl)c(Cl)c21)C(F)(F)F

BDBM50331713

OC1(CCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F

BDBM151597

CC1CCc2c([nH]c3ccc(Cl)c(Cl)c23)C1(O)C(F)(F)F

BDBM151598

OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)c(Cl)c21)C(F)(F)F

BDBM151599

OC1(CCCc2c1[nH]c1c(Cl)c(Cl)ccc21)C(F)(F)F

BDBM151600

CC1CC(c2c([nH]c3cc(Cl)c(Cl)cc23)C1O)C(F)(F)F

BDBM151601

OC1(CCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F

BDBM151602

OC1(CCCc2c1[nH]c1c(F)cc(Cl)cc21)C(F)(F)F

BDBM151603

OC1(CCc2c1[nH]c1ccc(Cl)c(Cl)c21)C(F)(F)F

BDBM151604

OC1(CCCc2c1[nH]c1c(cc(cc21)C#N)C(F)(F)F)C(F)(F)F

BDBM50331695

Oc1cccc2c3cc(Br)ccc3[nH]c12

BDBM50331696

Oc1cccc2c3cc(ccc3[nH]c12)C#N

BDBM50331698

Oc1cccc2c1[nH]c1ccc(Cl)c(Cl)c21

BDBM50331697

Oc1c(Br)ccc2c1[nH]c1cc(Cl)c(Cl)cc21

BDBM50331700

Oc1c(Cc2ccccc2)ccc2c1[nH]c1ccc(Cl)c(Cl)c21

BDBM50331699

Oc1c(Cc2ccccc2)ccc2c1[nH]c1cc(Cl)c(Cl)cc21

BDBM158513

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:25,t:8|

BDBM158514

C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:10,13,25|

BDBM158515

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:23,t:3|

BDBM158516

CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:24,t:4|

BDBM158517

C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:10,27|

BDBM158518

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OCC=C1 |r,c:28,t:8|

BDBM158520

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,14,26|

BDBM158521

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,27|

BDBM158522

CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:25,t:4|

BDBM158523

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,28|

BDBM158524

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,30|

BDBM158525

CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:28,t:11|

BDBM158519

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:26,t:9|

BDBM179165

CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccccc1

BDBM179163

Cc1ccc(cc1)N1C(=S)N(C(=O)C1(C)C)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179164

CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(O)cc1

BDBM179227

CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(N)cc1

BDBM179196

CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(OC(=O)CCl)cc1

BDBM179166

Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179168

Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179197

Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179198

Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCCCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179200

CN1CCC2(CC1)N(C(=S)N(C2=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(C)cc1

BDBM179201

FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)C#N)C2(CCCC2)C1=O

BDBM179202

[O-][N+](=O)c1ccc(cc1)N1C(=S)N(C(=O)C11CCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179169

FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)-c2ccccc2)C2(CCC2)C1=O

BDBM179170

Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179240

CC1(C)N(C(=S)N(C1=S)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(O)cc1

BDBM179241

CC1(C)N(C(=O)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(O)cc1

BDBM179253

CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccccc1C(O)=O

BDBM179204

CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(cc1)C(F)(F)F

BDBM179242

Cc1ccc(cc1)N1C(=S)N(C(=O)C1(CCl)CCl)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179205

Cc1ccc(cc1)N1C(=S)N(C(=O)C1(C)CF)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179206

Cc1ccccc1N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179243

CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccccn1

BDBM179244

Cc1ccnc(c1)N1C(=S)N(C(=O)C1(C)C)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179254

Cc1cc([nH]n1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179255

FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc3ccccc3c2)C2(CCC2)C1=O

BDBM179171

CN=C1N(C(=S)N(c2ccc(C)cc2)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F |w:1.0|

BDBM179172

CCNC(=S)N=C1N(C(=S)N(c2ccc(C)cc2)C1(C)C)c1ccc([N+]#[C-])c(c1)C(F)(F)F |w:5.4|

BDBM179173

Cc1ccc(cc1)N1C(=S)N(C(=NC(=S)Nc2ccccc2)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F |w:12.13|

BDBM179174

Cc1ccc(cc1)N1C(=S)N(C(=NC(=S)Nc2ccc(C#N)c(c2)C(F)(F)F)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F |w:12.13|

BDBM179209

OCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179213

NC(=O)CCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179214

CNC(=O)CCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179224

OCCNC(=O)CCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179223

COC(=O)CCCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179183

NC(=O)CCCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179184

CNC(=O)CCCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM179225

FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)N2CCNCC2)C2(CCC2)C1=O

BDBM179215

CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F

BDBM180872

O[C@@H]([C@H]1CCC(=O)N1c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM180873

O[C@H]([C@H]1CCC(=O)N1c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM180874

Cc1c(ccc(C#N)c1C(F)(F)F)N1[C@H](CCC1=O)[C@H](O)C(F)(F)F

BDBM180875

Cc1c(ccc(C#N)c1C(F)(F)F)N1[C@H](CCC1=O)[C@@H](O)C(F)(F)F

BDBM180876

O[C@@H]([C@H]1CCC(=O)N1c1ccc2nnsc2c1)C(F)(F)F

BDBM180878

O[C@@H]([C@H]1COC(=O)N1c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM180879

O[C@H]([C@H]1COC(=O)N1c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM180880

O[C@@H]([C@@H]1COC(=O)N1c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM180881

O[C@H]([C@@H]1COC(=O)N1c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM180882

Cc1c(Cl)c(ccc1N1[C@H](COC1=O)[C@H](O)C(F)(F)F)C#N

BDBM180883

Cc1c(Cl)c(ccc1N1[C@H](COC1=O)[C@@H](O)C(F)(F)F)C#N

BDBM180884

Cc1c(ccc(C#N)c1C(F)(F)F)N1[C@H](COC1=O)[C@H](O)C(F)(F)F

BDBM180885

Cc1c(ccc(C#N)c1C(F)(F)F)N1[C@H](COC1=O)[C@@H](O)C(F)(F)F

BDBM180886

C[C@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(Cl)c1C

BDBM180887

C[C@H]1OC(=O)N([C@H]1[C@@H](O)C(F)(F)F)c1ccc(C#N)c(Cl)c1C

BDBM180888

C[C@@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(Cl)c1C

BDBM180889

C[C@@H]1OC(=O)N([C@H]1[C@@H](O)C(F)(F)F)c1ccc(C#N)c(Cl)c1C

BDBM180890

C[C@@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F

BDBM180891

C[C@@H]1OC(=O)N([C@H]1[C@@H](O)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F

BDBM180892

C[C@@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(Cl)c1

BDBM180893

C[C@@H]1OC(=O)N([C@H]1[C@@H](O)C(F)(F)F)c1ccc(C#N)c(Cl)c1

BDBM180894

C[C@@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(c1C)C(F)(F)F

BDBM180895

C[C@@H]1OC(=O)N([C@H]1[C@@H](O)C(F)(F)F)c1ccc(C#N)c(c1C)C(F)(F)F

BDBM180896

CN1C[C@H]([C@H](O)C(F)(F)F)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM180897

CN1C[C@H]([C@@H](O)C(F)(F)F)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM180898

O[C@@H]([C@H]1CCC(=O)N1c1ccc(Cl)c(Cl)c1)C(F)(F)F

BDBM180899

O[C@H]([C@H]1CCC(=O)N1c1ccc(Cl)c(Cl)c1)C(F)(F)F

BDBM180900

Cc1c(Cl)c(ccc1N1[C@H](CCC1=O)[C@H](O)C(F)(F)F)C#N

BDBM180901

Cc1c(Cl)c(ccc1N1[C@H](CCC1=O)[C@@H](O)C(F)(F)F)C#N

BDBM180902

OC([C@H]1CCC(=O)N1c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM180903

O[C@H]([C@H]1CCC(=O)N1c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM180904

C[C@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(c1C)C(F)(F)F

BDBM180905

C[C@H]1OC(=O)N([C@H]1[C@@H](O)C(F)(F)F)c1ccc(C#N)c(c1C)C(F)(F)F

BDBM180906

C[C@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F

BDBM180907

C[C@H]1OC(=O)N([C@H]1[C@@H](O)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F

BDBM180908

C[C@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(Cl)c1

BDBM180909

C[C@H]1OC(=O)N([C@H]1[C@@H](O)C(F)(F)F)c1ccc(C#N)c(Cl)c1

BDBM245145

Fc1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:14.18,wD:11.11,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;4.67,3.08,;6,3.85,;7.34,3.08,;3.33,3.85,;3.33,5.39,;2,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-4.67,-3.85,;-6,-3.08,;-7.34,-3.85,;-7.34,-5.39,;-8.67,-3.08,;-8.67,-1.54,;-7.34,-.77,;-6,-1.54,)|

BDBM245146

Cc1cc(no1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:12.16,wD:9.9,(6.38,7.45,;5.61,6.12,;4.15,5.64,;4.15,4.1,;5.61,3.62,;6.52,4.87,;2.82,3.33,;1.48,4.1,;2.82,1.79,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;.15,-1.29,;1.48,-.52,;-2.52,-1.29,;-2.52,-2.83,;-1.18,-3.6,;-1.18,-5.14,;-2.52,-5.91,;-3.85,-5.14,;-5.19,-5.91,;-5.19,-7.45,;-6.52,-5.14,;-6.52,-3.6,;-5.19,-2.83,;-3.85,-3.6,)|

BDBM245147

Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8,5,;6.67,4.23,;5.33,5,;4,4.23,;4,2.69,;5.33,1.93,;6.67,2.69,;8,1.93,;2.67,1.93,;2.67,.39,;1.33,2.69,;,1.93,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;-4,-5,;-5.33,-4.23,;-6.67,-5,;-8,-4.23,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,)|

BDBM245148

Cc1nocc1C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:13.17,wD:10.10,(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;.15,3.08,;-1.18,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,.77,;.15,1.54,;-3.85,.77,;-3.85,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-6.52,-5.39,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,)|

BDBM245149

Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccno4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|

BDBM245150

Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|

BDBM245151

Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:13.17,wD:10.10,(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;4.71,1.54,;6.18,1.06,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;-.62,3.08,;-1.95,3.85,;-3.29,3.08,;-3.29,1.54,;-1.95,.77,;-.62,1.54,;-4.62,.77,;-4.62,-.77,;-3.29,-1.54,;-3.29,-3.08,;-4.62,-3.85,;-5.96,-3.08,;-7.29,-3.85,;-7.29,-5.39,;-8.62,-3.08,;-8.62,-1.54,;-7.29,-.77,;-5.96,-1.54,)|

BDBM245152

Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4cc[nH]n4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|

BDBM245153

Fc1ccc(cc1F)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:15.19,wD:12.12,(8.67,,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;7.34,2.31,;8.67,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|

BDBM245154

Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8.67,3.08,;7.34,2.31,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|

BDBM245155

Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:13.17,wD:10.10,(8.62,1.54,;7.08,1.54,;6.18,2.79,;4.71,2.31,;4.71,.77,;6.18,.29,;3.38,3.08,;3.38,4.62,;2.05,2.31,;.71,3.08,;-.62,2.31,;-1.95,3.08,;-3.29,2.31,;-3.29,.77,;-1.95,,;-.62,.77,;-4.62,,;-4.62,-1.54,;-3.29,-2.31,;-3.29,-3.85,;-4.62,-4.62,;-5.96,-3.85,;-7.29,-4.62,;-8.62,-3.85,;-8.62,-2.31,;-7.29,-1.54,;-5.96,-2.31,)|

BDBM245156

Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(5.33,7.7,;5.33,6.16,;6.67,5.39,;6.67,3.85,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.39,;-2.67,-6.16,;-4,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-5.39,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,)|

BDBM245157

Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.16,;6,5.39,;6,3.85,;4.67,3.08,;3.33,3.85,;3.33,5.39,;4.67,6.16,;4.67,7.7,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-6,-7.7,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|

BDBM245158

Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.16,;6,5.39,;6,3.85,;4.67,3.08,;3.33,3.85,;3.33,5.39,;4.67,6.16,;4.67,7.7,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-6,-7.7,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|

BDBM245159

Brc1cccc2c(O[C@H]3CC[C@@H](CC3)NC(=O)c3ccc(cc3)C#N)ccnc12 |r,wU:8.7,wD:11.14,(-6.67,-7.31,;-6.67,-5.78,;-8,-5,;-8,-3.47,;-6.67,-2.69,;-5.33,-3.47,;-4,-2.69,;-4,-1.15,;-2.67,-.38,;-2.67,1.15,;-1.33,1.93,;,1.15,;,-.38,;-1.33,-1.15,;1.33,1.93,;1.33,3.47,;,4.23,;2.67,4.23,;4,3.47,;5.33,4.23,;5.38,5.8,;4,6.54,;2.67,5.78,;6.72,6.57,;8.05,7.34,;-2.67,-3.47,;-2.67,-5,;-4,-5.78,;-5.33,-5,)|

BDBM245160

Fc1cc(ccc1C(F)(F)F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:17.21,wD:14.14,(4,7.7,;4,6.16,;2.67,5.39,;2.67,3.85,;4,3.08,;5.33,3.85,;5.38,5.42,;6.72,6.19,;8.05,6.96,;7.49,4.85,;5.95,7.52,;1.33,3.08,;,3.85,;1.33,1.54,;,.77,;-1.33,1.54,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.7,;-8,-5.39,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,)|

BDBM245161

Fc1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-6,-6.93,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,)|

BDBM245162

Fc1ccc(cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;4.67,6.93,;3.33,6.16,;3.33,4.62,;4.67,3.85,;6,4.62,;7.34,3.85,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-6,-6.93,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,)|

BDBM245163

Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:13.17,wD:10.10,(7.34,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;3.33,3.85,;4.67,3.08,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|

BDBM245164

Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;4.71,1.54,;6.18,1.06,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;-.62,3.08,;-1.95,3.85,;-3.29,3.08,;-3.29,1.54,;-1.95,.77,;-.62,1.54,;-4.62,.77,;-4.62,-.77,;-3.29,-1.54,;-3.29,-3.08,;-4.62,-3.85,;-5.96,-3.08,;-7.29,-3.85,;-7.29,-5.39,;-8.62,-3.08,;-8.62,-1.54,;-7.29,-.77,;-5.96,-1.54,)|

BDBM245165

Brc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|

BDBM245166

O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12)c1ccc(cc1)C#N |r,wU:7.10,wD:4.3,(2.67,4.62,;2.67,3.08,;1.33,2.31,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-5.33,-4.62,;-6.67,-3.85,;-8,-4.62,;-9.34,-3.85,;-9.34,-2.31,;-8,-1.54,;-6.67,-2.31,;4,2.31,;4,.77,;5.33,,;6.72,.74,;6.67,2.31,;5.33,3.08,;8.05,-.03,;9.38,-.8,)|

BDBM245167

Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(5.33,8.47,;5.33,6.93,;6.67,6.16,;6.67,4.62,;5.33,3.85,;4,4.62,;4,6.16,;2.67,3.85,;1.33,4.62,;2.67,2.31,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;-2.67,-.77,;-2.67,-2.31,;-1.33,-3.08,;-1.33,-4.62,;-2.67,-5.39,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-5.33,-6.93,;-5.33,-8.47,)|

BDBM245168

Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|

BDBM245169

Fc1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(7.34,7.7,;6,6.93,;6,5.39,;4.67,4.62,;3.33,5.39,;3.33,6.93,;4.67,7.7,;2,4.62,;.67,5.39,;2,3.08,;.67,2.31,;-.67,3.08,;-2,2.31,;-2,.77,;-.67,,;.67,.77,;-3.33,,;-3.33,-1.54,;-2,-2.31,;-2,-3.85,;-3.33,-4.62,;-4.67,-3.85,;-6,-4.62,;-7.34,-3.85,;-7.34,-2.31,;-6,-1.54,;-4.67,-2.31,;-6,-6.16,;-6,-7.7,)|

BDBM245170

Cc1cc(no1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:12.16,wD:9.9,(6.38,8.22,;5.61,6.89,;4.15,6.41,;4.15,4.87,;5.61,4.39,;6.52,5.64,;2.82,4.1,;1.48,4.87,;2.82,2.56,;1.48,1.79,;.15,2.56,;-1.18,1.79,;-1.18,.25,;.15,-.52,;1.48,.25,;-2.52,-.52,;-2.52,-2.06,;-1.18,-2.83,;-1.18,-4.37,;-2.52,-5.14,;-3.85,-4.37,;-5.19,-5.14,;-6.52,-4.37,;-6.52,-2.83,;-5.19,-2.06,;-3.85,-2.83,;-5.19,-6.68,;-5.19,-8.22,)|

BDBM245171

Fc1ccc(cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|

BDBM245172

Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|

BDBM245173

Fc1cc(ccc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(4.67,8.47,;4.67,6.93,;3.33,6.16,;3.33,4.62,;4.67,3.85,;6,4.62,;6,6.16,;7.34,6.93,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|

BDBM245174

Fc1cc(F)cc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(4.67,8.47,;4.67,6.93,;6,6.16,;6,4.62,;7.34,3.85,;4.67,3.85,;3.33,4.62,;3.33,6.16,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|

BDBM245175

O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N)c1ccon1 |r,wU:7.10,wD:4.3,(4.15,6.16,;4.15,4.62,;2.82,3.85,;1.48,4.62,;.15,3.85,;-1.18,4.62,;-2.52,3.85,;-2.52,2.31,;-1.18,1.54,;.15,2.31,;-3.85,1.54,;-3.85,,;-2.52,-.77,;-2.52,-2.31,;-3.85,-3.08,;-5.19,-2.31,;-6.52,-3.08,;-7.85,-2.31,;-7.85,-.77,;-6.52,,;-5.19,-.77,;-6.52,-4.62,;-6.52,-6.16,;5.48,3.85,;6.95,4.33,;7.85,3.08,;6.95,1.83,;5.48,2.31,)|

BDBM245176

Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(8.62,3.08,;7.08,3.08,;6.18,4.33,;4.71,3.85,;4.71,2.31,;6.18,1.83,;3.38,4.62,;3.38,6.16,;2.05,3.85,;.71,4.62,;-.62,3.85,;-1.95,4.62,;-3.29,3.85,;-3.29,2.31,;-1.95,1.54,;-.62,2.31,;-4.62,1.54,;-4.62,,;-3.29,-.77,;-3.29,-2.31,;-4.62,-3.08,;-5.96,-2.31,;-7.29,-3.08,;-8.62,-2.31,;-8.62,-.77,;-7.29,,;-5.96,-.77,;-7.29,-4.62,;-7.29,-6.16,)|

BDBM36974

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C

BDBM426773

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1ccccc1

BDBM426774

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1ccccc1C

BDBM426775

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1

BDBM426776

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1ccc(C)cc1

BDBM426777

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1ccccc1C#N

BDBM426778

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1ccccc1F

BDBM426779

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc2ccccc12

BDBM426780

COc1ccccc1N1CCN(CC1)C(=O)CSCc1c(C)noc1C

BDBM426781

CN(CCN(C)c1ccccc1C)C(=O)CSCc1c(C)noc1C

BDBM426783

Cc1noc(C)c1CSCC(=O)N1CCCN(CC1)c1ccccc1C

BDBM426784

C[C@H]1CN(C[C@@H](C)N1C(=O)CSCc1c(C)noc1C)c1ccccc1C |r|

BDBM426785

C[C@H]1CN(C[C@@H](C)N1c1ccccc1)C(=O)CSCc1c(C)noc1C |r|

BDBM426786

C[C@H]1CN(C[C@@H](C)N1c1cccc(C)c1)C(=O)CSCc1c(C)noc1C |r|

BDBM426790

Cc1noc(C)c1CSCCN1CCN(CC1)c1ccccc1C

BDBM426791

Cc1ccccc1N1CCN(CC1)C(=O)CSCc1ccccc1

BDBM426792

Cc1ccccc1N1CCN(CC1)C(=O)CCCc1ccccc1

BDBM426793

Cc1ccccc1N1CCN(CC1)C(=O)CSc1ccccc1

BDBM426794

Cc1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1

BDBM426795

Cc1ccccc1N1CCN(CC1)C(=O)\C=C\c1ccccc1

BDBM426796

Cc1noc(C)c1CS(=O)CC(=O)N1CCN(CC1)c1ccccc1C

BDBM426797

Cc1noc(C)c1CS(=O)(=O)CC(=O)N1CCN(CC1)c1ccccc1C

BDBM426798

Cc1ccccc1N1CCN(CC1)C(=O)\C=C/c1ccccc1

BDBM426799

Cc1ccccc1N1CCN(CC1)C(=O)C1CC1c1ccccc1

BDBM426800

Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1C[C@@H]1c1ccccc1 |r|

BDBM426801

Cc1noc(C)c1COCC(=O)N1CCN(CC1)c1ccccc1C

BDBM426802

CN(CC(=O)N1CCN(CC1)c1ccccc1C)Cc1ccccc1

BDBM426803

Cc1noc(C)c1CSCS(=O)(=O)N1CCN(CC1)c1ccccc1C

BDBM426804

Cc1noc(C)c1CSCNC(=O)N1CCN(CC1)c1ccccc1C

BDBM426805

Cc1noc(C)c1CSCNC(=O)OC1CCN(CC1)c1ccccc1C

BDBM426806

Cc1noc(C)c1CCCC(=O)N1C2CCC1CC(C2)c1ccccc1C |THB:20:18:12:14.15|

BDBM426808

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1CC1c1ccc(F)cc1

BDBM426809

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 |r|

BDBM426810

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 |r|

BDBM426811

CNC(=O)c1ccc(cc1F)N1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM444986

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)cc1 |r,c:15,t:11|

BDBM444988

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(N)cc2)cc1 |r,c:15,t:11|

BDBM444998

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:15,t:11|

BDBM445000

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:15,t:11|

BDBM445001

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:15,t:11|

BDBM445004

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(N)c(Cl)c2)cc1 |r,c:15,t:11|

BDBM445005

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|

BDBM445006

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|

BDBM445011

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|

BDBM445012

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2cccc(N)c2)cc1 |r,c:15,t:11|

BDBM445015

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)cc2)cc1 |r,c:15,t:11|

BDBM445016

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|

BDBM445024

COc1cc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)ccc1N |r,c:26,t:22|

BDBM445027

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(NCc2ccc(N)cc2)nc1 |r,c:14,t:10|

BDBM445028

C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|

BDBM445029

C[C@@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18|

BDBM445030

C[C@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18|

BDBM445031

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(NC2(CC2)c2ccc(N)cc2)nc1 |r,c:14,t:10|

BDBM445032

C[C@H](c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|

BDBM445033

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)c5ccc(cc5)Cc6cccc(c6)N)C(=O)CO)CCC7=CC(=O)C=C[C@]37C)O

BDBM445034

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10|

BDBM445035

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)SCF)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|

BDBM445036

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(O)=O)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|

BDBM445040

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:14,t:10|

BDBM445041

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|

BDBM445043

C[C@@H](c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|

BDBM445044

C[C@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|

BDBM445045

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:13,t:9|

BDBM50529668

C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM468302

CC(=O)Nc1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50529647

CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1 |r|

BDBM468304

C[C@](O)(CN1CCc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529667

C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468321

C[C@](O)(Cn1ccc(c1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468322

C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468323

C[C@](O)(Cn1cc(cn1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468324

C[C@](O)(Cn1ccc(c1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468325

C[C@](O)(Cn1cncc1Br)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468326

C[C@](O)(Cn1cnc(Br)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468327

C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM468328

C[C@](O)(Cn1ccnc1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM468329

C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468330

C[C@](O)(Cn1ccc(n1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468331

C[C@](O)(Cn1ccc(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468332

C[C@](O)(Cn1cccn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468333

C[C@](O)(Cn1ccc(n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468334

C[C@](O)(Cn1ccc(n1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468335

C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468336

C[C@](O)(Cn1cc(cn1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468337

C[C@](O)(Cn1cncn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468338

C[C@](O)(Cn1cnc(n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468339

C[C@@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468340

C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468341

C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM468342

CC(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM468343

C[C@](O)(Cn1cc(cn1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468344

CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM468345

C[C@](O)(Cn1cc(N)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468346

Fc1cnn(CCC(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1

BDBM468347

CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2cnc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM468348

C[C@@](Cn1cc(N)cn1)(OC(=O)CCl)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468349

COC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM468350

CC(=O)c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM468351

C[C@](O)(Cn1cc(cn1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468352

C[C@](O)(CBr)C(=O)Nc1ccc(nc1)C#N |r|

BDBM468353

C[C@](O)(CBr)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM468354

C[C@](O)(CBr)C(=O)Nc1ccc2ncncc2c1 |r|

BDBM468355

C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccnc(Cl)c1 |r|

BDBM468356

C[C@](O)(Cn1cc(cn1)C(F)(F)F)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM468357

C[C@](O)(Cn1nncc1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468358

C[C@](O)(Cn1cc(nn1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468359

C[C@](O)(Cn1cc(Br)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468360

C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cc(c(cc1I)C#N)C(F)(F)F |r|

BDBM468361

Cc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM468362

C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468363

C[C@](O)(Cn1cc(c(F)n1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM468364

C[C@](O)(Cn1cc(nn1)-c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM493530

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O

BDBM508515

Clc1cccc(-c2ccc(CNC(=O)c3cc(n[nH]3)C(=O)N3CCOCC3)o2)c1Cl

BDBM508519

C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(CCO)n[nH]1 |r|

BDBM508521

C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(no1)-c1cccnc1 |r|

BDBM508523

C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(C)no1 |r|

BDBM508524

C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1noc(CCO)n1 |r|

BDBM508526

C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(CCO)n1 |r|

BDBM508530

C[C@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(F)c1)NC(=O)c1csc(CC#N)n1 |r|

BDBM508534

C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1n[nH]c2CCOCc12 |r|

BDBM546517

Cn1ccnc1C(=O)NCc1ccc(cc1F)N1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546521

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2nccs2)c(F)c1

BDBM546528

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2ncc[nH]2)c(F)c1

BDBM546530

Cn1ccnc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546535

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cncs2)c(F)c1

BDBM546539

CC(C)(C)C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546543

CC(C)C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546550

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2ccccn2)c(F)c1

BDBM546564

Cc1ncsc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546565

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)C2CC2)c(F)c1

BDBM546570

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cccnc2)c(F)c1

BDBM546598

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cncnc2)c(F)c1

BDBM546606

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cncs2)cc1

BDBM546607

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2ncccn2)cc1

BDBM546655

CC(C)C(=O)NCc1ccc(cc1F)N1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546661

CC1(C)N(C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2ccccn2)c(F)c1

BDBM546662

CC1(C)N(C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)C2CC2)c(F)c1

BDBM546663

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cncs2)c(Cl)c1

BDBM546687

CC1(C)N(C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cncs2)cc1

BDBM546689

CC1(C)N(C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cccnc2)c(F)c1

BDBM546692

CC1(C)N(C(=S)N(C1=O)c1cnc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2ncccn2)c(Cl)c1

BDBM546701

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2ncccn2)c(Cl)c1

BDBM546703

Cc1ncsc1C(=O)NCc1ccc(cc1Cl)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546706

CC1(C)N(C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2ncccn2)cc1

BDBM546707

CC1(C)N(C(=S)N(C1=O)c1cnc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cncs2)c(Cl)c1

BDBM546709

Cc1ncsc1C(=O)NCc1ccc(cc1Cl)N1C(=S)N(C(=O)C1(C)C)c1cnc(C#N)c(c1)C(F)(F)F

BDBM546710

Cc1ncsc1C(=O)NCc1ccc(cc1)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546711

Cn1nccc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546712

Cn1cncc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546713

Cc1ncc(s1)C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546714

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(CNC(=O)c2cnco2)c(F)c1

BDBM546715

Cc1ncsc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546716

Cc1ncsc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(F)c1

BDBM546717

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(F)c1)c1ccc(CNC(=O)c2ccccn2)c(F)c1

BDBM546718

Cc1ccccc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(F)c1

BDBM546719

Cn1nccc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM546720

Cc1ncsc1C(=O)NCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1cccc(c1)C(F)(F)F

BDBM332052

CCC(C(=O)OC)n1c(C)cc2c(c(ccc12)C#N)C(F)(F)F

BDBM332400

CC(CO)n1c(C)cc2c(c(ccc12)C#N)C(F)(F)F

BDBM332401

CCCc1cc2c(c(ccc2n1CC(C)(C)O)C#N)C(F)(F)F

BDBM332402

CSCC(C)n1c(cc2c(C#N)c(ccc12)C#N)C(F)F

BDBM332403

CC(n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O

BDBM332404

C[C@@H](n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O |r|

BDBM332405

C[C@H](CS(C)(=O)=O)n1ccc2c(c(ccc12)C#N)C(F)(F)F |r|

BDBM332406

C[C@H](n1ccc2c(Cl)c(ccc12)C#N)C(C)(C)O |r|

BDBM332407

CC(C)(O)C(C)(C)n1ccc2c(C#N)c(ccc12)C#N

BDBM332408

C[C@@H](n1ccc2c(Cl)c(ccc12)C#N)[C@](C)(O)C(F)(F)F |r|

BDBM607600

CC(C)(NC(=O)c1cccs1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM607601

Cc1ccc(s1)C(=O)NC(C)(C)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM607592

CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1

BDBM607593

CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1

BDBM607594

CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1

BDBM607595

CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1

BDBM607596

CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1

BDBM627321

CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627322

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627323

CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C1(C)C)c1cnc(C#N)c(c1)C(F)(F)F

BDBM627324

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C1(C)C)c1cnc(C#N)c(c1)C(F)(F)F

BDBM627325

CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627326

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627327

CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F

BDBM627328

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F

BDBM627330

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627333

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC1CN(C1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627334

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627335

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC1CCN(C1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627337

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC1CCN(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627338

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC1CN(C(=O)C1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627339

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627340

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCCC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM627341

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1F)C(F)(F)F

BDBM627342

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCC1)c1ccc(C#N)c(c1F)C(F)(F)F

BDBM627343

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCOC1)c1ccc(C#N)c(c1F)C(F)(F)F

BDBM627344

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)N1C(=S)N(C(=O)C11CCCC1)c1ccc(C#N)c(c1F)C(F)(F)F

BDBM636718

Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(cc1)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM636722

C[C@](O)(CS(=O)(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM636723

C[C@](O)(COC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM636724

CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM636725

CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM636726

CC1(C)N(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM636842

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2c(F)cc(cc12)-c1ccc(F)cc1

BDBM636843

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2cc(F)c(cc12)-c1ccccc1

BDBM636844

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2cc(F)ccc12

BDBM636845

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2c(F)cccc12

BDBM636846

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2ccc(F)cc12

BDBM636847

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2cc(ccc12)[N+]([O-])=O

BDBM636848

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2cc(Cl)ccc12

BDBM636849

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2cc(ccc12)C(F)(F)F

BDBM636850

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc2cc(ccc12)C#N

BDBM636851

CC(C)(N1CCc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM636852

CC(C)(N1CCc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM636853

CC(C)(C(=O)Nc1ccc(C#N)c(Cl)c1)n1ccc2cc(F)ccc12

BDBM636854

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(c(F)n1)-c1ccc(F)cc1

BDBM636855

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(cn1)-c1ccc(F)cc1

BDBM636856

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(F)cn1

BDBM636857

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1ccc(F)n1

BDBM636858

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(Cl)cn1

BDBM636859

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(cn1)C(F)(F)F

BDBM636860

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(cn1)C#N

BDBM636861

CC(C)(C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F)n1cc(F)cn1

BDBM636862

Fc1cnn(c1)C1(CCC1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM636863

Fc1cnn(c1)C1(CCC1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F

BDBM636864

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(Br)c(F)n1

BDBM636865

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(F)c(F)n1

BDBM636866

Cc1cn(nc1Cl)C(C)(C)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM636867

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(Cl)c(Br)n1

BDBM636868

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(Cl)c(F)n1

BDBM636869

CC(C)(C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)n1cc(C#N)c(Br)n1

BDBM638392

CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCN(C)c3ccc(cc3)[C@H]3C[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]4CCC5=CC(=O)CCC5=C34)cc12 |r,t:74,81|

BDBM638393

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCN(CCCCCCN(C)c6ccc(cc6)[C@H]6C[C@@]7(C)[C@@H](CC[C@]7(OC(C)=O)C(C)=O)[C@@H]7CCC8=CC(=O)CCC8=C67)CC5)c(CN(C)C)c4cc3Cn1c2=O |r,t:60,67|

BDBM638394

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCN(CCCCCCNC(=O)c6ccc(cc6F)N6C(=O)N(C(=O)C6(C)C)c6ccc(C#N)c(c6)C(F)(F)F)CC5)c(CN(C)C)c4cc3Cn1c2=O |r|

BDBM638395

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCCCCCOc5ccc(cc5)C(=O)N[C@H]5CC[C@@H](CC5)Oc5ccc(C#N)c(Cl)c5)c(CN(C)C)c4cc3Cn1c2=O |r,wU:34.35,2.2,wD:37.42,2.1,(19.18,-.74,;17.73,-.23,;17.44,1.28,;16.32,.23,;18.96,1.53,;20.05,.44,;19.51,2.97,;18.53,4.16,;17.01,3.92,;16.46,2.48,;14.94,2.23,;13.97,3.43,;12.43,3.5,;11.35,2.41,;9.86,2.81,;8.77,1.71,;7.28,2.11,;6.88,3.6,;5.37,3.89,;4.28,2.8,;2.78,3.16,;1.68,2.09,;.19,2.48,;-.9,1.4,;-2.39,1.79,;-3.46,.69,;-4.93,1.15,;-6.06,.11,;-5.73,-1.39,;-4.26,-1.86,;-3.12,-.82,;-6.82,-2.48,;-6.44,-3.98,;-8.32,-2.15,;-9.43,-3.22,;-8.99,-4.7,;-10.05,-5.82,;-11.54,-5.46,;-11.98,-3.98,;-10.92,-2.86,;-12.62,-6.56,;-14.1,-6.14,;-14.47,-4.65,;-15.95,-4.23,;-17.06,-5.3,;-18.55,-4.92,;-20.05,-4.54,;-16.69,-6.79,;-17.74,-7.91,;-15.21,-7.21,;7.97,4.69,;7.49,6.15,;5.98,6.45,;4.97,5.29,;5.5,7.91,;9.46,4.29,;10.54,5.38,;12.03,4.99,;13.32,5.83,;14.52,4.86,;16.04,5.11,;16.54,6.57,)|

BDBM638396

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCN(CCCCCCO[C@@H]6CC[C@@H]7[C@H]8CC[C@@H]9CC(=O)CC[C@@]9(C)[C@@H]8CC[C@@]67C)CC5)c(CN(C)C)c4cc3Cn1c2=O |r|

BDBM638397

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC5CCN(CCCCCCN(C)c6ccc(cc6)[C@H]6C[C@@]7(C)C(CC[C@]7(OC(C)=O)C(C)=O)C7CCC8=CC(=O)CCC8=C67)CC5)c(CN(C)C)c4cc3Cn1c2=O |r,t:58,65|

BDBM638398

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC5CCN(CCCCCCCN(C)c6ccc(cc6)[C@H]6C[C@@]7(C)C(CC[C@]7(OC(C)=O)C(C)=O)C7CCC8=CC(=O)CCC8=C67)CC5)c(CN(C)C)c4cc3Cn1c2=O |r,t:59,66|

BDBM638399

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN5CCN(CC6CCN(CC6)c6ccc(nn6)C(=O)N[C@H]6CC[C@@H](CC6)Oc6ccc(C#N)c(Cl)c6)CC5)c4cc3Cn1c2=O |r,wU:2.2,41.43,wD:2.1,44.50,(20.47,-2.15,;18.96,-2.42,;17.96,-1.25,;17.43,-2.69,;19.1,-.21,;20.52,-.81,;18.78,1.29,;17.31,1.77,;16.17,.73,;16.49,-.77,;15.35,-1.81,;13.89,-1.33,;12.55,-2.11,;12.24,-3.62,;10.77,-4.09,;10.46,-5.6,;9,-6.08,;7.85,-5.05,;6.38,-5.5,;8.16,-3.55,;7.01,-2.52,;5.58,-3.08,;4.38,-2.11,;2.94,-2.66,;2.7,-4.18,;1.25,-4.7,;.06,-3.73,;-1.38,-4.28,;-2.58,-3.31,;-2.34,-1.79,;-.9,-1.24,;.3,-2.21,;-3.52,-.81,;-4.96,-1.36,;-6.15,-.39,;-5.91,1.13,;-4.48,1.68,;-3.28,.72,;-7.13,2.08,;-6.92,3.6,;-8.56,1.51,;-9.76,2.48,;-11.2,1.93,;-12.39,2.9,;-12.15,4.42,;-10.72,4.97,;-9.52,4,;-13.4,5.32,;-14.84,4.77,;-15.08,3.25,;-16.52,2.7,;-17.71,3.66,;-19.12,3.04,;-20.52,2.4,;-17.47,5.19,;-18.72,6.08,;-16.03,5.74,;3.9,-5.15,;5.34,-4.6,;9.63,-3.07,;9.94,-1.56,;11.41,-1.08,;12.03,.33,;13.56,.17,;14.7,1.2,;14.38,2.71,)|

BDBM638400

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN5CCN(CC5)C(=O)CCCCCOc5ccc(cc5)C(=O)N[C@H]5CC[C@@H](CC5)Oc5ccc(C#N)c(Cl)c5)c4cc3Cn1c2=O |r,wU:44.46,2.2,wD:47.53,2.1,(20.45,-.97,;18.99,-.47,;18.69,1.04,;17.57,-.02,;20.2,1.31,;21.22,.16,;20.72,2.76,;19.72,3.94,;18.21,3.66,;17.69,2.21,;16.18,1.93,;15.18,3.11,;13.64,3.15,;12.58,2.04,;11.08,2.4,;10.02,1.29,;8.52,1.65,;8.09,3.13,;6.57,3.4,;9.15,4.24,;8.65,5.7,;7.15,6.01,;6.65,7.47,;5.14,7.77,;4.12,6.61,;4.62,5.15,;6.13,4.85,;2.62,6.93,;2.13,8.39,;1.58,5.78,;.04,5.78,;-.73,4.45,;-2.27,4.45,;-3.04,3.12,;-4.58,3.09,;-5.35,1.76,;-6.87,2,;-7.84,.8,;-7.29,-.63,;-5.76,-.88,;-4.79,.32,;-8.24,-1.85,;-7.68,-3.28,;-9.76,-1.62,;-10.73,-2.81,;-10.18,-4.25,;-11.15,-5.45,;-12.67,-5.21,;-13.22,-3.77,;-12.25,-2.57,;-13.6,-6.43,;-15.12,-6.19,;-15.67,-4.75,;-17.19,-4.51,;-18.16,-5.71,;-19.69,-5.53,;-21.22,-5.35,;-17.61,-7.15,;-18.53,-8.39,;-16.09,-7.39,;10.65,3.88,;11.71,4.99,;13.21,4.63,;14.48,5.5,;15.7,4.56,;17.21,4.83,;17.73,6.28,)|

BDBM638402

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN5CCN(CC5)C(=O)C5CCN(CC5)c5ccc(nn5)C(=O)N[C@H]5CC[C@@H](CC5)Oc5ccc(C#N)c(Cl)c5)c4cc3Cn1c2=O |r,wU:44.47,2.2,wD:47.54,2.1,(18.56,-2.18,;17.09,-1.7,;16.78,-.19,;15.66,-1.24,;18.3,.03,;19.31,-1.13,;18.87,1.47,;17.92,2.67,;16.39,2.45,;15.83,1.02,;14.3,.8,;13.35,2.01,;11.81,2.11,;10.71,1.03,;9.23,1.45,;8.12,.37,;6.64,.79,;6.26,2.28,;4.75,2.58,;7.36,3.36,;6.89,4.82,;5.38,5.15,;4.87,6.6,;3.36,6.89,;2.36,5.72,;2.86,4.27,;4.38,3.98,;.85,6.05,;.36,7.51,;-.21,4.93,;.31,3.48,;-.7,2.31,;-2.21,2.59,;-2.72,4.04,;-1.72,5.21,;-3.26,1.47,;-2.74,.02,;-3.73,-1.16,;-5.24,-.89,;-5.77,.56,;-4.78,1.74,;-6.32,-2,;-6.13,-3.53,;-7.84,-1.76,;-8.81,-2.95,;-8.25,-4.39,;-9.22,-5.59,;-10.74,-5.35,;-11.3,-3.91,;-10.33,-2.71,;-11.7,-6.56,;-13.22,-6.32,;-14.19,-7.51,;-15.71,-7.27,;-16.26,-5.83,;-17.79,-5.62,;-19.31,-5.41,;-15.29,-4.64,;-15.88,-3.21,;-13.77,-4.88,;8.85,2.94,;9.95,4.02,;11.43,3.6,;12.73,4.42,;13.92,3.44,;15.44,3.66,;15.97,5.11,)|

BDBM638403

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN5CCC(CC5)N(C)C(=O)CO[C@H]5CC[C@H]6[C@@H]7CC[C@H]8CC(=O)CC[C@]8(C)[C@H]7CC[C@]56C)c4cc3Cn1c2=O |r|

BDBM638404

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCC(CC5)N(C)C(=O)CO[C@H]5CC[C@H]6[C@@H]7CC[C@H]8CC(=O)CC[C@]8(C)[C@H]7CC[C@]56C)c(CN(C)C)c4cc3Cn1c2=O |r|

BDBM638405

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N(C)C5CCN(CC5)C(=O)CO[C@H]5CC[C@H]6[C@@H]7CC[C@H]8CC(=O)CC[C@]8(C)[C@H]7CC[C@]56C)c(CN(C)C)c4cc3Cn1c2=O |r|

BDBM696507

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)c3OCCc23)cc1 |r,c:13,t:9|

BDBM696509

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc3cc[nH]c3c2)cc1 |r,c:13,t:9|

BDBM696511

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc3NCCOc3c2)cc1 |r,c:15,t:11|

BDBM696513

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cc3CCOc3c(N)c2)cc1 |r,c:13,t:9|

BDBM696514

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)c3OCCc23)cc1

BDBM737487

CC1(C)[C@H](NC(=O)c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)c3ccc(Nc4ncc(Br)c(Nc5cccc(F)c5C(N)=O)n4)cc3)cc2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1

BDBM737488

Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCOCCOc1ccc(C(=O)C[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(Cl)c4)C3(C)C)cc1)c1nnc(C)n1-2

BDBM50407398

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CC=C2C1 |r,c:16,29|

BDBM50240230

COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1

BDBM50240229

Fc1ccc(OCCCNC(=N)Nc2ccc(Cl)cc2)cc1

BDBM50006990

NC(Nc1ccc(I)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18|

BDBM50242298

CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(OC)c1 |r|

BDBM50242299

CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1C |r|

BDBM50242300

C[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242301

CC[C@H]1[C@H](O)[C@H](C)N(C1=O)c1ccc(C#N)c(Cl)c1 |r|

BDBM50242302

C[C@H]1[C@@H](O)[C@H](Cc2ccccc2)C(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242303

CC[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242304

C[C@H]1[C@@H](O)C(C)(C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50238125

Cc1c(ccc(c1Cl)C#N)N2CC[C@@H]([C@@H]2C)O

BDBM50238127

Cc1c(ccc(c1F)C#N)N2CC[C@]([C@@H]2C)(C)O

BDBM50242305

C[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242306

C[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1C |r|

BDBM50242307

C[C@@H]1N(C(=O)C[C@]1(C)O)c1ccc(C#N)c(Cl)c1 |r|

BDBM50242308

CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242309

CC[C@H]1[C@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242297

CC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O

BDBM50242310

C[C@@H]1[C@H](O)C(C)(C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242312

C[C@H]1[C@@H](O)C(F)(F)C(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242313

CC(C)C[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1 |r|

BDBM50242314

O[C@H]1CC(=O)N([C@H]1CC#N)c1ccc(C#N)c(Cl)c1 |r|

BDBM50398061

C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r|

BDBM50247538

O=C1COc2ccc(cc2N1)N1CCOC[C@H]1c1ccccc1 |r|

BDBM50354850

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:15,t:11|

BDBM50354849

CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|

BDBM141368

C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r|

BDBM141378

C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r|

BDBM141379

C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r|

BDBM50354851

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF |r,c:12,t:8|

BDBM141372

C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r|

BDBM50250112

C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F

BDBM50257263

Cn1c(ccc1-c1c(F)cc(O)cc1C#N)C#N |(32.18,-19.02,;32.14,-17.48,;30.86,-16.62,;31.29,-15.14,;32.83,-15.09,;33.36,-16.54,;34.83,-16.96,;35.94,-15.9,;35.57,-14.4,;37.42,-16.33,;37.79,-17.83,;39.27,-18.26,;36.67,-18.9,;35.2,-18.46,;34.09,-19.53,;32.97,-20.6,;29.4,-17.14,;27.95,-17.66,)|

BDBM50257266

Cn1c(ccc1-c1ccc(O)cc1S(C)(=O)=O)C#N

BDBM50257268

Cn1c(ccc1-c1ccc(O)cc1[N+]([O-])=O)C#N

BDBM50257269

Cn1c(ccc1-c1ccc(O)cc1C(F)(F)F)C#N

BDBM50257273

Cn1c(ccc1-c1ccc(O)c(F)c1)C#N

BDBM50257319

Cn1c(cc(c1C#N)C(F)(F)F)-c1ccc(O)cc1

BDBM50257320

OC(=O)Cn1c(ccc1-c1ccc(O)cc1F)C#N

BDBM50257275

Cc1cc(ccc1O)-c1ccc(C#N)n1C

BDBM50257276

Cn1c(ccc1-c1ccc(O)cc1)C#N

BDBM50257312

Oc1ccc(-c2ccc(C#N)n2CC#N)c(F)c1

BDBM50257314

CCc1cc(ccc1O)-c1ccc(C#N)n1C

BDBM50257313

Cn1c(ccc1-c1ccc(O)c2CCCc12)C#N

BDBM50257315

Cn1c(ccc1-c1ccc(O)cc1C#N)C#N

BDBM50257270

Cn1c(ccc1-c1ccc(O)cc1Cl)C#N

BDBM50257311

CCn1c(ccc1-c1ccc(O)cc1F)C#N

BDBM50257272

Cn1c(ccc1c2ccc(cc2F)O)C#N

BDBM50257265

Cn1c(ccc1-c1c(F)cc(O)cc1F)C#N |(9.8,-30.9,;9.75,-29.36,;8.48,-28.5,;8.91,-27.02,;10.45,-26.97,;10.97,-28.42,;12.44,-28.84,;13.55,-27.78,;13.18,-26.29,;15.03,-28.2,;15.4,-29.71,;16.88,-30.13,;14.29,-30.77,;12.81,-30.34,;11.7,-31.41,;7.02,-29.02,;5.57,-29.54,)|

BDBM50257324

Cn1c(ccc1-c1cc(F)c(O)cc1F)C#N

BDBM50257264

Cn1c(ccc1-c1ccc(O)c(F)c1F)C#N

BDBM50257278

Cn1c(ccc1-c1c(Cl)cc(O)cc1Cl)C#N |(33.03,-30.55,;32.98,-29.01,;31.71,-28.14,;32.14,-26.67,;33.68,-26.61,;34.2,-28.07,;35.68,-28.49,;36.78,-27.43,;36.41,-25.93,;38.26,-27.85,;38.63,-29.35,;40.11,-29.78,;37.52,-30.42,;36.04,-29.99,;34.93,-31.05,;30.25,-28.67,;28.81,-29.19,)|

BDBM50257274

Cc1cc(O)ccc1-c1ccc(C#N)n1C

BDBM50257310

Cn1c(cc(Br)c1-c1ccc(O)cc1)C#N

BDBM50257321

Cn1c(ccc1-c1ccc(O)c(Cl)c1)C#N

BDBM50257284

Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C

BDBM50257267

COC(=O)c1cc(O)ccc1-c1ccc(C#N)n1C

BDBM50203426

CC[C@@H]1C[C@@]([C@H](c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O

BDBM50259978

CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|

BDBM50259979

CC[C@@H]1C[C@@](O)([C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c12)C(F)(F)F |r|

BDBM50259980

CC1(C)C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|

BDBM50259981

CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r|

BDBM50259977

CC(C)(CC(O)(CNc1cccc2c1cc[nH]c2=O)C(F)(F)F)c1cccc(F)c1O

BDBM50416869

Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1

BDBM50203424

CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F |r|

BDBM50259984

CC(=C)C[C@@](O)([C@@H](Nc1cccc2c1cc[nH]c2=O)c1cc(Br)ccc1O)C(F)(F)F |r|

BDBM50259985

Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1 |r|

BDBM18207

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|

BDBM50259986

C[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|

BDBM50269785

[H][C@@]12CC[C@H](C(=O)Nc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C |r|

BDBM50269786

[H][C@@]12CC[C@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])OC(=O)CC[C@]12C |r|

BDBM50269787

[H][C@@]12CC[C@H](C(=O)Nc3ccc(C)cc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])OC(=O)CC[C@]12C |r|

BDBM50423551

C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C

BDBM50283798

CCOC(=O)Nc1cc2CN3C(Cc2cc1F)C(=O)N(C3=S)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50283799

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2Cc3ccccc3N2C1=S

BDBM50297713

[H][C@@]12CC(=O)c3cc(ccc3[C@@]1(C)CCC[C@]2(C)CNC(=O)c1ccccc1)C(C)C |r|

BDBM50367097

Cc1cc(cc2c1n(C)c(=O)c1cc(F)ccc21)C(O)(C(F)(F)F)C(F)(F)F

BDBM50367063

Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F

BDBM50367121

Cc1cc(cc2c1[nH]c(=O)c1cc(F)ccc21)C(O)(C(F)(F)F)C(F)(F)F

BDBM50118690

CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N

BDBM50368932

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCS(=O)(=O)CC1 |r,c:17,23|

BDBM50368934

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1CCCCC1)C1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:21,27|

BDBM50368935

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(CC)cc1 |r,c:17,23|

BDBM50368961

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](CC)C1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:16,22|

BDBM50368963

[H][C@@]12CC[C@@](O)(CCCC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:15,21|

BDBM50368965

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1cccc(c1)N(C)C |r,c:17,23|

BDBM50368942

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(OC)c1 |r,c:17,23|

BDBM50368924

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C1(C)COC1 |r,c:17,23|

BDBM50368938

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCCC1 |r,c:17,23|

BDBM50368925

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)C |r,c:17,23|

BDBM50368933

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|

BDBM50368957

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCOCC1 |r,c:17,23|

BDBM50368971

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:35|

BDBM50368945

[H][C@@]12CC[C@@](O)(C#CC(C)(C)OC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:36|

BDBM50368936

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccccc1 |r,c:14,20|

BDBM50368926

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1cccc(c1)N(C)C |r,c:14,20|

BDBM50368944

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)C |r,c:14,20|

BDBM50368978

[H][C@@]12CC[C@@](O)(C#CC(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:16,22|

BDBM50368977

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C

BDBM50368948

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(C)cc1 |r,c:17,23|

BDBM50368946

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1cc(F)c(N(C)C)c(F)c1 |r,c:17,23|

BDBM50368966

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1c(F)cc(cc1F)N(C)C |r,c:17,23|

BDBM50368973

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(C)c1 |r,c:17,23|

BDBM50368972

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C(C)C |r,c:17,23|

BDBM50368960

[H][C@@]12CC[C@@](O)(C#CCC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:15,21|

BDBM50368949

[H][C@@]12CC[C@@](O)(C#CC(F)(F)F)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:17,23|

BDBM50368974

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(OC)cc1 |r,c:17,23|

BDBM50450182

CN(C)c1ccc(cc1)C(=O)Nc1cccc(Oc2ccc(O)cc2)c1

BDBM50450183

COc1ccccc1C(=O)Nc1ccc(C)c(Oc2ccc(O)cc2)c1

BDBM50450184

COc1cccc(c1)C(=O)N(C)c1ccc(Oc2ccc(O)cc2)c(C)c1

BDBM50450185

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(Br)c1

BDBM50450186

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1Cl

BDBM50450187

COc1cccc(c1)C(=O)Nc1cc(Cl)c(Oc2ccc(O)cc2)c(Cl)c1

BDBM50442124

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(C)c1

BDBM50450188

COc1cccc(c1)C(=O)Nc1ccc(Oc2cccc(O)c2)cc1

BDBM50450189

CN(C)c1ccc(cc1)C(=O)Nc1ccc(Oc2cccc(O)c2)cc1

BDBM50450190

COc1ccccc1C(=O)Nc1cccc(Oc2ccc(O)cc2)c1

BDBM50450191

COc1ccc(cc1)C(=O)Nc1cccc(Oc2ccc(O)cc2)c1

BDBM50450192

CN(C)c1ccccc1C(=O)Nc1cccc(Oc2ccc(O)cc2)c1

BDBM50450193

COc1ccc(cc1)C(=O)Nc1cc(Oc2ccc(O)cc2)ccc1C

BDBM50450194

COc1ccc(cc1)C(=O)Nc1cccc(Oc2ccc(O)cc2)c1C

BDBM50450195

COc1ccc(cc1)C(=O)Nc1ccc(C)c(Oc2ccc(O)cc2)c1

BDBM50450196

COc1cccc(c1)C(=O)Nc1cccc(Oc2cccc(O)c2)c1

BDBM50450197

COc1ccc(cc1)C(=O)Nc1cccc(Oc2cccc(O)c2)c1

BDBM50450198

CN(C)c1cccc(c1)C(=O)Nc1cccc(Oc2cccc(O)c2)c1

BDBM50450199

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(F)c1

BDBM50450200

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(Cl)c1

BDBM50450201

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(c1)C(F)(F)F

BDBM50450202

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1C

BDBM50450203

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1F

BDBM50450204

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1OC

BDBM50450205

COc1cccc(c1)C(=O)Nc1cc(F)c(Oc2ccc(O)cc2)c(F)c1

BDBM50450206

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(F)c1F

BDBM19190

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O

BDBM332659

CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F

BDBM50459866

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(c2)C(F)(F)F)cc1 |r|

BDBM50459867

COC(=O)c1ccc(Cc2c(C)n[nH]c2C)cc1

BDBM50459868

CC(O)(CS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM50459869

Cc1nn(c(C)c1Cc1ccc(cc1)C(O)=O)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50459870

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(cc1)S(=O)(=O)CC(C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50459871

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(CCc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1 |r|

BDBM50459872

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(cc2Cl)C#N)cc1 |r|

BDBM50459873

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(Cn2c(C)c(C#N)c(c2C)-c2ccc(cc2)C#N)cc1 |r|

BDBM50459874

Cc1c(C#N)c(c(C)n1Cc1ccc(cc1)C(O)=O)-c1ccc(cc1)C#N

BDBM50459875

Cc1nn(c(C)c1CCc1ccc(cc1)C(O)=O)-c1ccc(C#N)c(Cl)c1

BDBM50367916

C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9|

BDBM50469092

Oc1ccccc1C1CC(=O)c2cc(Cl)ccc2O1

BDBM50469093

COc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1OC

BDBM150758

Oc1ccccc1-c1cc(=O)c2ccccc2o1

BDBM50469094

Oc1ccccc1\C=C\C(=O)c1cc(I)ccc1O

BDBM50469095

COc1ccccc1\C=C\C(=O)c1cc(F)ccc1O

BDBM50469096

Oc1ccccc1C1CC(=O)c2cc(Br)ccc2O1

BDBM50469097

Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1O

BDBM50469098

Oc1ccc2C(=O)CC(Oc2c1)c1ccccc1O

BDBM50469099

COc1ccc2C(=O)CC(Oc2c1)c1ccccc1O

BDBM50469100

CC(C)Oc1ccccc1\C=C\C(=O)c1cc(Br)ccc1O

BDBM50469101

COc1ccccc1\C=C\C(=O)c1cc(I)ccc1O

BDBM50469102

Oc1ccc2OC(CC(=O)c2c1)c1ccccc1O

BDBM50469103

COc1ccccc1\C=C\C(=O)c1cc(Br)ccc1O

BDBM50051340

Oc1ccccc1C1CC(=O)c2ccccc2O1

BDBM50469104

Oc1ccccc1\C=C\C(=O)c1cc(Br)cc(Br)c1O

BDBM50469105

CCOc1ccccc1\C=C\C(=O)c1cc(Br)ccc1O

BDBM50469106

Oc1ccccc1\C=C\C(=O)c1cc(Br)ccc1O

BDBM50469107

Oc1ccc(Cl)cc1C(=O)\C=C\c1ccc2OCOc2c1

BDBM50469108

COc1ccccc1\C=C\C(=O)c1cc(Cl)ccc1O

BDBM86010

Oc1ccc(Cl)cc1C(=O)\C=C\c1ccccc1

BDBM50469109

COCOc1ccccc1\C=C\C(=O)c1cc(F)ccc1O

BDBM50469110

Oc1ccccc1\C=C\C(=O)c1cc(F)ccc1O

BDBM50469111

COc1ccc2oc(cc(=O)c2c1)-c1ccccc1OC

BDBM50469112

Oc1ccccc1C1CC(=O)c2cc(I)ccc2O1

BDBM50469113

COc1cc(\C=C\C(=O)c2cc(Cl)ccc2O)ccc1O

BDBM50469114

COc1ccc2OC(CC(=O)c2c1)c1ccccc1OC

BDBM50469115

Oc1ccccc1\C=C\C(=O)c1cc(Cl)ccc1O

BDBM50469116

CCCOc1ccccc1\C=C\C(=O)c1cc(Br)ccc1O

BDBM50469117

COc1ccc(\C=C\C(=O)c2cc(Cl)ccc2O)cc1OC

BDBM50469118

COc1ccccc1\C=C\C(=O)c1ccccc1O

BDBM50469119

Oc1ccccc1C1CC(=O)c2cc(Br)cc(Br)c2O1

BDBM50469120

Oc1ccc(\C=C\C(=O)c2cc(Cl)ccc2O)cc1

BDBM50469121

[#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)cc1-[#8]

BDBM50469122

[#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1

BDBM50469123

[#6]-[#8]-c1cccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)c1-[#8]

BDBM50469124

[#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8])c1

BDBM50469125

[#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)c(-[#8]-[#6])c1-[#8]

BDBM50469126

[#6]-[#8]-c1cc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)cc(-[#8]-[#6])c1-[#8]

BDBM50475258

CC(=O)Nc1ccc(cc1)S(=O)(=O)C[C@@](C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50475259

C[C@](O)(CBr)C(=O)Nc1ccc(cc1)[N+]([O-])=O

BDBM50475260

CCC(=O)N(C(=O)CC)c1ccc(SC[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50098983

CC1(C)N(CCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475261

C[C@](O)(CS(=O)(=O)c1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50475262

CCC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50475263

C[C@@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50098986

CC1(C)N(CCCc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475264

CC(=O)N(C(C)=O)c1ccc(SC[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50475265

C[C@@](O)(CBr)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50475266

C[C@](O)(CS(=O)(=O)c1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM50098988

CC1(C)N(CCCc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475267

C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50475268

C[C@](O)(CBr)C(=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM50475269

C[C@](O)(CSc1ccc(NC(=O)C(F)(F)F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM26258

[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20|

BDBM50098982

COCCN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50099680

C[C@](O)(CBr)C(=O)Nc1ccc(N)c(c1)C(F)(F)F

BDBM50098978

CC1(C)N(CCCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475270

CC(=O)Nc1ccc(cc1)S(=O)(=O)C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM50475271

C[C@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50475272

C[C@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50475273

C[C@](O)(CS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50475274

C[C@](O)(CS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50475275

C[C@](O)(CBr)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50098984

CC1(C)N(CCc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475276

C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50475277

C[C@@](O)(CS(=O)(=O)c1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50098981

CC1(C)N(Cc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50098985

CC1(C)N(Cc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475278

CC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)cc1 |r|

BDBM50475279

C[C@](O)(CSc1ccccc1)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50098979

CC1(C)N(CCCCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475280

C[C@](O)(CBr)C(=O)Nc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O

BDBM50475281

Cc1cc(=O)oc2cc(NC(=O)[C@@](C)(O)CSc3ccc(F)cc3)ccc12

BDBM50475282

CC(=O)Nc1ccc(SC[C@@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50475283

C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50475284

C[C@](O)(CSc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50475285

CC(=O)Nc1ccc(SC[C@@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1

BDBM50091401

CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(I)c1

BDBM50098987

CN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475286

Cc1cc(=O)oc2cc(NC(=O)[C@@](C)(O)CBr)ccc12

BDBM50475287

CC(=O)Nc1ccc(cc1)S(=O)(=O)C[C@](C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50098977

CC1(C)N(CCc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50091400

CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50475288

C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50497976

Clc1ncn(c1Cl)-c1csc(n1)N1CCOCC1

BDBM93830

c1sc(nc1-c1ccccc1)-c1ccncc1

BDBM50497977

C1CN(CCO1)c1nc(cs1)-c1ccncc1

BDBM50497978

Clc1ccc(-c2csc(n2)N2CCOCC2)c(Cl)c1

BDBM50497979

C1CCN(CC1)c1nc(cs1)-c1ccccc1

BDBM50497980

Cc1scc(c1C)-c1csc(n1)N1CCOCC1

BDBM50497981

Oc1cc(F)ccc1-c1csc(n1)N1CCOCC1

BDBM50497982

Clc1cn(cn1)-c1csc(n1)N1CCOCC1

BDBM50497983

Clc1ncn(-c2csc(n2)N2CCOCC2)c1Br

BDBM50497984

COc1cc(F)ccc1-c1csc(n1)N1CCOCC1

BDBM50497985

C1CN(CCO1)c1nc(cs1)-c1ccsc1

BDBM50497986

Oc1ccc(cc1)-c1nc(cs1)-c1c[nH]c2ccccc12

BDBM50497987

OCc1sc(nc1-c1ccccc1)N1CCOCC1

BDBM50497988

FC(F)(F)[C@H]1CN(CCO1)c1nc(cs1)-c1ccccc1 |r|

BDBM50497989

Fc1ccc(cc1)-c1csc(n1)N1CCSCC1

BDBM50497990

N#Cc1ccc(cc1)-c1ccc(s1)N1CCOCC1

BDBM93810

Fc1ccc(cc1)-c1csc(n1)-c1ccncc1

BDBM50497991

FC(F)(F)c1cccc(c1)-c1csc(n1)N1CCOCC1

BDBM50497992

C1CN(CCS1)c1nc(cs1)-c1ccccc1

BDBM50497993

C1CN(CCO1)c1nc(cs1)-c1ccccc1

BDBM50497994

Oc1ccc(cc1)-c1ccc2ccccc2n1

BDBM50497995

CNc1nc(cs1)-c1ccc2ccccc2c1

BDBM50497996

Cc1ncn(c1C)-c1csc(n1)N1CCOCC1

BDBM50497997

Ic1ncn(c1I)-c1csc(n1)N1CCOCC1

BDBM50497998

COc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1

BDBM50497999

Brc1ncn(c1Br)-c1csc(n1)N1CCOCC1

BDBM50498000

C1CN(CCO1)c1csc(c1)-c1ccccc1

BDBM50498001

Fc1ccc(cc1)-c1csc(n1)N1CCOCC1

BDBM50498002

C1CN(CCO1)c1ccc(s1)-c1ccccc1

BDBM50498003

Oc1ccc2nc(sc2c1)N1CCOCC1

BDBM50498004

Cc1sc(nc1-c1ccccc1)N1CCOCC1

BDBM50498005

CS(=O)(=O)c1c(F)cccc1-c1csc(n1)N1CCOCC1

BDBM50498006

Clc1ncn(-c2csc(n2)N2CCOCC2)c1I

BDBM50498007

C1CN(CCO1)c1nc(cs1)-c1ccccn1

BDBM50498008

Oc1c(F)cccc1-c1csc(n1)N1CCOCC1

BDBM50498009

CCc1sc(nc1-c1ccccc1)N1CCOCC1

BDBM50498010

Clc1ccc(cc1Cl)-c1csc(n1)N1CCOCC1

BDBM50498011

Nc1ccccc1-c1csc(n1)N1CCOCC1

BDBM50498012

c1ccc2nc(ccc2c1)-c1ccncc1

BDBM50498013

Clc1c(Br)ncn1-c1csc(n1)N1CCOCC1

BDBM50498014

Cc1ccc(C)c(c1)-c1csc(n1)N1CCOCC1

BDBM49900

Nc1nc(cs1)-c1ccc2ccccc2c1

BDBM78435

OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C([O-])=O)c1O

BDBM50498015

Brc1cn(cn1)-c1csc(n1)N1CCOCC1

BDBM50498016

Oc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1

BDBM50498017

COc1c(F)cc(O)cc1-c1csc(n1)N1CCOCC1

BDBM50500349

Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|

BDBM50503732

FC(F)(F)c1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1

BDBM50503733

Cc1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1

BDBM50503734

[O-][N+](=O)c1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1

BDBM50503735

N#Cc1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1

BDBM50503736

COc1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1

BDBM50062407

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Br)c4)c3c12 |t:1|

BDBM50062411

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)cc4)c3c12 |t:1|

BDBM50062406

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Cl)c4)c3c12 |t:1|

BDBM50062405

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(c4)C(F)(F)F)c3c12 |t:1|

BDBM50067678

C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|

BDBM50062409

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12 |t:1|

BDBM50062423

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(Cl)c4)c3c12 |t:1|

BDBM50062414

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1|

BDBM50062416

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)c(F)c4)c3c12 |t:1|

BDBM50062415

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(F)c4)c3c12 |t:1|

BDBM8903

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:10|

BDBM50062421

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(Cl)cc(Cl)c4)c3c12 |t:1|

BDBM50062417

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|

BDBM50062413

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(C)cc(Br)c4)c3c12 |t:1|

BDBM50062410

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccccc4)c3c12 |t:1|

BDBM50512135

Cc1noc(C)c1-c1ccc(C)c(Nc2ccc(C#N)c(Cl)c2)c1

BDBM50067684

CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1|

BDBM50067671

CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cc(F)ccc4F)c3c12 |t:1|

BDBM50067686

CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(F)c(F)c4)c3c12 |t:1|

BDBM50067668

CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1|

BDBM50067670

CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1|

BDBM50513640

[H][C@@]12Cc3c(c(C)nc4[nH]c5ccccc5c34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(C)=O |r,t:31|

BDBM50069076

C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C1(C)C)C(F)(F)F

BDBM50069059

C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F

BDBM50069072

C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F

BDBM50069077

C[C@H]1N(C)c2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F

BDBM50069071

FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12

BDBM50069073

CC1(C)CCC[C@H]2[C@@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F

BDBM50069060

CCCN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F

BDBM50069084

CCn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F

BDBM50069081

CN1[C@H]2[C@H](CCCC2(C)C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F

BDBM50069082

FC(F)(F)c1cc(=O)[nH]c2cc3NCCc3cc12

BDBM50069078

CN1CCc2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F

BDBM50069070

CN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F

BDBM50069068

C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50069061

C[C@H]1CC[C@@H]2[C@H](C1)c1cc3c(cc(=O)n(C)c3cc1N2C)C(F)(F)F

BDBM50069074

C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2[C@H]1C)C(F)(F)F

BDBM50069062

C[C@]12CCCC[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F

BDBM50069083

Cn1c2cc3N[C@@H]4CCCC[C@]4(C)c3cc2c(cc1=O)C(F)(F)F

BDBM50069075

C[C@H]1CC[C@H]2Nc3cc4[nH]c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F

BDBM50069080

CC1(C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50069079

C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50069069

Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F

BDBM50069064

Cn1c2cc3NCCc3cc2c(cc1=O)C(F)(F)F

BDBM50069065

C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F

BDBM50069067

C[C@H]1CC[C@H]2Nc3cc4n(C)c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F

BDBM50069066

C[C@@H]1Cc2cc3c(cc(=O)n(C)c3cc2N1)C(F)(F)F

BDBM50069085

CN1[C@@H]2CCCC[C@]2(C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F

BDBM50516235

FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1

BDBM50516763

C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O

BDBM50516764

CC(O)(COc1cccc(c1)S(F)(F)(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50516765

CC(O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F

BDBM50517881

CC1(C)CCc2cc3C(=CC(F)Nc3cc2N1)C(F)(F)F |c:8|

BDBM50063127

CC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50517899

CC1(C)CCc2cc3C(=CC(Nc3cc2N1)C#N)C(F)(F)F |c:8|

BDBM50076694

FC(F)(F)c1cc(=O)oc2cc3NCCC(c3cc12)C(F)(F)C(F)(F)F

BDBM50403728

CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|

BDBM50403730

CC[C@H]1CNc2cc3oc(=O)cc(c3cc2[C@@H]1CC)C(F)(F)F |r|

BDBM50403731

CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|

BDBM50403727

CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|

BDBM50076697

FC(F)(F)c1cc(=O)oc2cc3NCCCc3cc12

BDBM50076689

CCC1CCN(C)c2cc3oc(=O)cc(c3cc12)C(F)(F)F

BDBM50076685

CCC1Nc2cc3oc(=O)cc(c3cc2CC1C)C(F)(F)F

BDBM50076687

CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F

BDBM50076696

CCC1CC(CC)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F

BDBM50403729

CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|

BDBM50076699

CCC1CC(C)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F

BDBM50076693

CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F

BDBM50076691

CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F

BDBM50076692

CCCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F

BDBM50076688

CCC1CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F

BDBM50076684

FC(F)(F)C1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F

BDBM50076712

CCC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F

BDBM50076709

C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F

BDBM50076703

CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C[C@H]1C)C(F)(F)F

BDBM50076704

CC[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50403732

CC(C)(O)C(=O)Nc1ccc(c(c1O)C(F)(F)F)[N+]([O-])=O

BDBM50076717

C[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50076707

CC[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50076713

CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F

BDBM50076716

C[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F

BDBM50076718

CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(CC)CC)C(F)(F)F

BDBM50076714

CC(C)[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50076705

CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F

BDBM50076702

CCC[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50076700

C[C@@H]1C[C@H](C)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50076715

CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F

BDBM50076711

CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C[C@@H]1C)C(F)(F)F

BDBM50076710

CC[C@@H]1C[C@H](C)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50076708

CC[C@@H]1C[C@H](CC)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50076706

CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F

BDBM50076701

C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F

BDBM50076720

CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F

BDBM50525850

Fc1ccccc1N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50525851

O=c1cc(N2CCN(CC2)c2ccccn2)c2ccc3ccccc3c2o1

BDBM50525852

Cc1ccccc1N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50525853

COc1ccc(cc1)N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50525854

CCOc1ccccc1N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50525855

Clc1ccccc1N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50525856

FC(F)(F)c1ccccc1N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50525857

COc1ccccc1N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50525858

Fc1ccc(cc1)C(N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21)c1ccc(F)cc1

BDBM50525859

O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccc3ccccc3c2o1

BDBM50525860

O=c1cc(N2CCN(CC2)c2ccccc2)c2ccc3ccccc3c2o1

BDBM50525861

Cc1ccc(cc1)N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50525862

Clc1ccc(cc1)N1CCN(CC1)c1cc(=O)oc2c1ccc1ccccc21

BDBM50527021

Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(O)=O)c2COc3ccc(Cl)cc3-c12

BDBM50528387

[H][C@@]12CC[C@@](O)(C#CCOC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:33|

BDBM50528388

[H][C@@]12CC[C@@](O)(C#CC3CC3)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|

BDBM50528398

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N1CCOCC1)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:39|

BDBM50528395

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:43|

BDBM50528399

[H][C@@]12CC[C@@](O)(C#CC(C)(C)CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:36|

BDBM50528400

[H][C@@]12CC[C@@](O)(C#CC(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:33|

BDBM50528401

[H][C@@]12CC[C@@](O)(C#CCC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:32|

BDBM50528391

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:31|

BDBM50528394

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:33|

BDBM50528393

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)CCOC)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|

BDBM50528389

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCc1ccc(Cl)cc1)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:31|

BDBM50528390

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N1CCN(C)CC1)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:40|

BDBM50528396

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|

BDBM50528402

[H][C@@]12CC[C@@](O)(C#CC(F)(F)F)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|

BDBM50528403

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(OC)cc1)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:30|

BDBM50528392

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)-n1cccc1)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|

BDBM50528404

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N1CCCC1)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|

BDBM50528397

[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(CC)CC)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|

BDBM50529643

C[C@](O)(CN1CCc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529644

C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529645

C[C@](O)(Cn1ccc2cc(I)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529646

C[C@](O)(Cn1ccc2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529648

C[C@](O)(Cn1ccc2c(F)cccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529649

C[C@](O)(Cn1ccc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529650

C[C@](O)(CN1CCc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529651

C[C@](O)(CN1CCc2c1cccc2F)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529652

C[C@](O)(CN1CCc2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529653

C[C@](O)(Cn1ccc2c(F)c(ccc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529654

C[C@](O)(Cn1ccc2ccc(cc12)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529655

C[C@](O)(CN1CCc2c1cccc2F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529656

C[C@](O)(Cn1cc(-c2ccccc2)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529657

C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529658

C[C@](O)(Cn1cc(F)c2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529659

C[C@](O)(Cn1ccc2c(F)cc(cc12)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529660

C[C@](O)(Cn1ccc2c(cccc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529661

C[C@](O)(Cn1ccc2nc(ccc12)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529662

CCOC(=O)c1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c2ccccc12 |r|

BDBM50529663

Cc1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c2ccc(F)cc12 |r|

BDBM50529664

C[C@](O)(Cn1ccc2cc(ccc12)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529665

C[C@](O)(Cn1ccc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529666

C[C@](O)(Cn1ccc2c(F)cccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529669

C[C@](O)(CN1CCc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529670

C[C@](O)(CN1CCc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529671

C[C@](O)(CN1CCc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529672

C[C@](O)(CN1CCc2cc(Cl)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529673

C[C@](O)(Cn1ccc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529674

C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529675

C[C@](O)(CN1CCc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529676

C[C@](O)(CN1CCc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529677

C[C@](O)(Cn1cc(C(O)=O)c2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529678

C[C@@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50529679

C[C@](O)(Cn1ccc2cccc(F)c12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50529680

CC(O)(CCc1ccc(N)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50086520

CCCCSc1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F

BDBM50086531

CN1c2cc3nc(Cl)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F |c:16|

BDBM50086511

CC1(C)CCc2cc3c(cc(Br)nc3cc2N1)C(F)(F)F

BDBM50086508

CN(C)c1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F

BDBM50086509

CN1c2cc3nc(cc(c3cc2CCC1(C)C)C(F)(F)F)C#N

BDBM50086528

CC1(C)CCc2cc3c(cc(nc3cc2N1)S(C)(=O)=O)C(F)(F)F

BDBM50086517

CC1(C)CCc2cc3c(cc(SCC(F)(F)F)nc3cc2N1)C(F)(F)F

BDBM50086518

CC1(C)CCc2cc3c(cc(nc3cc2N1)C(F)(F)F)C(F)(F)F

BDBM50086507

CS(=O)c1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F

BDBM50086522

COc1ccc(CNc2cc(c3cc4CCC(C)(C)Nc4cc3n2)C(F)(F)F)cc1

BDBM50086534

CCCCS(=O)c1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F

BDBM50086510

CC1CC(C)(C)Nc2c(C)c3nc(Cl)cc(c3cc12)C(F)(F)F

BDBM50086512

CC1(C)CCc2cc3c(cc(NS(C)(=O)=O)nc3cc2N1)C(F)(F)F

BDBM50086514

CC1(C)CCc2cc3c(cc(nc3cc2N1)C#N)C(F)(F)F

BDBM50086527

CC1=CC(C)(C)Nc2cc3nc(Cl)cc(c3cc12)C(F)(F)F |t:1|

BDBM50086532

CC1(C)CCc2cc3c(cc(Cl)nc3cc2N1)C(F)(F)F

BDBM50086530

CC1=CC(C)(C)Nc2cc3nc(F)cc(c3cc12)C(F)(F)F |t:1|

BDBM50086516

CC1CC(C)(C)Nc2c(C)c3nccc(c3cc12)C(F)(F)F

BDBM50086524

CNc1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F

BDBM50086515

CC1CC(C)(C)Nc2c(C)c3nc(F)cc(c3cc12)C(F)(F)F

BDBM50086506

CC1(C)CCc2cc3c(cc(nc3cc2N1)N(S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F

BDBM50086533

CN1c2cc3nccc(c3cc2CCC1(C)C)C(F)(F)F

BDBM50086526

CSc1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F

BDBM50086519

CC1(C)CCc2cc3c(cc(F)nc3cc2N1)C(F)(F)F

BDBM50086521

CC1CC(C)(C)Nc2c(C)c3nc(Br)cc(c3cc12)C(F)(F)F

BDBM50086525

CC1(C)CCc2cc3c(ccnc3cc2N1)C(F)(F)F

BDBM50086529

CN1c2cc3nc(Cl)cc(c3cc2CCC1(C)C)C(F)(F)F

BDBM50086535

CN1c2cc3nc(F)cc(c3cc2CCC1(C)C)C(F)(F)F

BDBM50086523

CC1(C)CCc2cc3c(cc(N)nc3cc2N1)C(F)(F)F

BDBM50086513

CN1c2cc3nc(Br)cc(c3cc2CCC1(C)C)C(F)(F)F

BDBM50535048

Cc1noc(C)c1CSCC(=O)N1C2CCC1CC(C2)c1ccccc1C |TLB:10:12:18.19.17:14.15,THB:20:18:12:14.15|

BDBM50535049

Cc1noc(C)c1C[S+]([O-])CC(=O)N1CCN(CC1)c1ccccc1C

BDBM50535050

Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccccc1 |r|

BDBM50535823

CC(O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM50535824

CC(O)(COc1ccc(C#N)c(F)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535825

OC(CSc1ccccc1C(F)(F)F)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F

BDBM50535826

CC(O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535827

CC(O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1C(F)(F)F)[N+]([O-])=O

BDBM50535828

CC(O)(COc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535829

CC(O)(COc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535830

CC(O)(COc1ccc(cc1C(F)(F)F)C#N)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535831

CC(O)(COc1ccc(cc1C(F)(F)F)C#N)C(=O)Nc1ccc(cc1C(F)(F)F)C#N

BDBM50535832

C[C@](O)(CS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50535833

C[C@](O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50535834

CC1(C)N(C(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1C(F)(F)F)[N+]([O-])=O

BDBM50535835

CC1(C)N(C(=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)[N+]([O-])=O

BDBM50535836

[H][C@@]12C[C@]1([H])[C@]1(C)C3CC[C@@]4(C)[C@@]([H])(CC[C@]4(OC(C)=O)C(C)=O)[C@]3([H])C=C(Cl)C1=CC2=O |r,c:33,t:29|

BDBM50535837

CC(O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535838

C[C@](O)(CSc1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50535839

CC1(C)N(C(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535840

CC1(C)N(C(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1C(F)(F)F)C#N

BDBM50535841

CC1(C)N(C(=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F

BDBM50535842

CC(O)(CSc1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535843

CC(O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535844

CC(O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50535845

CC(O)(CS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50536418

[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)n1ccnc1 |r,t:3,27|

BDBM50536420

[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=S)n1ccnc1 |r,t:3,27|

BDBM50536421

[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCc1ccncc1 |r,t:3,27|

BDBM50536422

[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](n2ccnc2)C23CC2CC[C@]13C |r,t:3|

BDBM50536785

C1C(Nc2ccccc12)c1c[nH]c2ccccc12

BDBM50099679

C[C@@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50382163

c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O

BDBM50543396

CCc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1

BDBM50543397

[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC

BDBM50543398

CCc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N

BDBM50543399

[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C

BDBM50543400

Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12

BDBM50543401

Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12

BDBM50543402

Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12

BDBM50543403

Oc1cccc2cc(C(=O)Nc3ccccc3F)c(=N)oc12

BDBM50062433

CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccccc4)c3c12 |t:1|

BDBM50103251

COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|

BDBM50103247

COc1cccc2OC(c3cccc(c3)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|

BDBM50103254

COc1cccc2OC(c3cccc(OC(=O)N(C)C)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:31|

BDBM50103249

COc1cccc2OC(c3cccc(OCSC)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|

BDBM50103246

COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|

BDBM50148387

CCOC(=O)c1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCc3ccccc23)s1

BDBM50432188

CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24|

BDBM50509767

COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1

BDBM50509750

Oc1ccc2c(O)ncc(-c3cc(F)c(F)c(F)c3)c2c1

BDBM50548626

C[C@](O)(Cn1cc(cn1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548627

C[C@@]1(Cn2cc(F)cn2)OC(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548628

C[C@](O)(Cn1cc(c(n1)C#N)-c1ccccc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50548629

C[C@](O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50548630

C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50548631

C[C@](O)(Cn1cc(Cl)c(Br)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548632

Cc1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)nc1Cl |r|

BDBM50548633

C[C@](O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548634

C[C@](O)(Cn1cc(cn1)C#N)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM10884

CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C

BDBM50548635

Fc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM50548636

COC(=O)Nc1ccc(cc1)-c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM50548637

CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM50548638

C[C@](O)(Cn1cc(cn1)-c1ccc(cc1)C#C)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548639

C[C@](O)(Cn1cc(I)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548640

C[C@](O)(Cn1cc(Cl)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548641

C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc2ncncc2c1 |r|

BDBM50548642

C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(nc1)C(N)=O |r|

BDBM50548643

C[C@](O)(Cn1cc(cn1)-c1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548644

CC(=O)Nc1ccc(cc1)-c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|

BDBM50548645

C[C@](O)(Cn1cc(cn1)-c1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50548646

C[C@](O)(Cn1cc(cn1)-c1ccc(cc1)C#CCCO)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50135912

CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50550347

CC(C)(NC(=O)Nc1ccc(F)c(c1)C(F)(F)F)C(O)=O

BDBM50550348

CC1(C)CNC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50550349

CC1(C)CC(=O)N(C(=O)N1)c1ccc(F)c(c1)C(F)(F)F

BDBM50550350

CC1(C)N(C(=O)NC1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50550351

CC1(C)CN(C(=O)N1)c1ccc(F)c(c1)C(F)(F)F

BDBM50550352

CC1(C)NC(=O)C(C1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50550353

CC1(C)OC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50550354

CC1(C)CC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50550355

Fc1ccc(cc1C(F)(F)F)N1C(=O)C2CCCN2C1=O

BDBM50550356

Fc1ccc(cc1C(F)(F)F)N1C(=O)NC2(CCCCC2)C1=O

BDBM50550357

Fc1ccc(cc1C(F)(F)F)N1C(=O)NC2(CCCC2)C1=O

BDBM50550358

CC1(CO)NC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50550359

FC(F)c1cc(ccc1F)N1C(=O)N[C@@H](C1=O)c1ccccc1 |r|

BDBM50550360

CC1NC(=O)N(C1=O)c1ccc(F)c(c1)C(F)F

BDBM50550361

Fc1ccc(cc1C(F)(F)F)N1C(=O)CNC1=O

BDBM50550362

CC1(C)NC(=O)N(Cc2ccc(F)c(c2)C(F)(F)F)C1=O

BDBM50550363

CC1(C)NC(=O)N(C1=O)c1cnccn1

BDBM50550364

CC1(C)NC(=O)N(C1=O)c1ccc(nc1)C(F)(F)F

BDBM50550365

CC1(C)NC(=O)N(C1=O)c1cccnc1

BDBM50550366

CC1(C)NC(=O)N(C1=O)c1ccnc2ccccc12

BDBM50550367

CC1(C)NC(=O)N(C1=O)c1ccnc(c1)C(F)(F)F

BDBM50550368

CC1(C)NC(=O)N(C1=O)c1ccncc1

BDBM50550369

CN(C)C(=O)c1cc(ccc1F)N1C(=O)NC(C)(C)C1=O

BDBM50550370

CC1(C)NC(=O)N(C1=O)c1ccc(F)c(c1)C#N

BDBM50550371

Cc1ccc(cc1C(F)(F)F)N1C(=O)NC(C)(C)C1=O

BDBM50550372

CC1(C)NC(=O)N(C1=O)c1ccc(Cl)c(c1)C(F)(F)F

BDBM50550373

CC1(C)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F

BDBM50550374

CC1(C)N(C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1

BDBM50550375

CC1(C)N(C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F)S(C)(=O)=O

BDBM50550376

CC1(C)N(CCc2ccccc2)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50550377

CC1(C)N(CC#N)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50550378

CCN1C(=O)N(C(=O)C1(C)C)c1ccc(F)c(c1)C(F)(F)F

BDBM50550379

CN1C(=O)N(C(=O)C1(C)C)c1ccc(F)c(c1)C(F)(F)F

BDBM50550380

CC1(C)NC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F

BDBM50551467

Clc1ccccc1C1Nc2ccc3ccccc3c2C2C=CCC12 |c:23|

BDBM50551468

Fc1ccccc1C1Nc2ccc3ccccc3c2C2C=CCC12 |c:23|

BDBM50551469

Brc1ccc(cc1)C1Nc2ccc3ccccc3c2C2C=CCC12 |c:23|

BDBM50551470

CCOC(=O)C1Nc2ccc3ccccc3c2C2C=CCC12 |c:20|

BDBM50551471

Clc1ccc(cc1)C1Nc2ccc3ccccc3c2C2C=CCC12 |c:23|

BDBM50551472

Clc1ccc(C2Nc3ccc4ccccc4c3C3OCCCC23)c(Cl)c1

BDBM50551473

C1CC2CC1C1C2c2c(NC1c1ccccc1)ccc1ccccc21

BDBM50551474

Clc1ccc(cc1)C1Nc2ccc3ccccc3c2C2C3CCC(C3)C12

BDBM50551592

CCOC(=O)Nc1cc2CN3C(Cc2cc1F)C(=O)N(C3=S)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50552505

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(Br)ccc3N2C1=S

BDBM50552506

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CNc3cc(Br)ccc3N2C1=S

BDBM50552507

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CSc3cc(Br)ccc3N2C1=S

BDBM50552508

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3ccccc3N2C1=S

BDBM50552509

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1ccccc1

BDBM50552510

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1cccnc1

BDBM50552511

FC(F)(F)c1ccc(cn1)-c1ccc2N3C(CCc2c1)C(=O)N(C3=S)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50552512

FC(F)(F)c1ccc(cc1)-c1ccc2N3C(CCc2c1)C(=O)N(C3=S)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50552513

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1cnc2ccccc2c1

BDBM50552514

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1cnc(Cl)nc1

BDBM50552515

Cc1noc(C)c1-c1ccc2N3C(CCc2c1)C(=O)N(C3=S)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50552516

FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1ccn(n1)C1CC1

BDBM50552517

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc2C(=O)OCc2c1

BDBM50552518

CN1Cc2cc(ccc2C1=O)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50552519

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc2C(=O)OCCc2c1

BDBM50552520

CC1(C)N(C(=S)N(C1=O)c1cnc(C#N)c(c1)C(F)(F)F)c1ccc2C(=O)OCc2c1

BDBM50552521

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cnc2C(=O)OCc2c1

BDBM50552522

FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCC2)C1=O

BDBM50552523

FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCCC2)C1=O

BDBM50552524

FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCCCC2)C1=O

BDBM50552525

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(COC2)C1=O

BDBM50552526

FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCOC2)C1=O

BDBM50552527

FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCCOC2)C1=O

BDBM50552528

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2cnc3C(=O)OCc3c2)C2(CCCC2)C1=O

BDBM50552529

FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCCc3c2)C2(CCCC2)C1=O

BDBM50552530

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCOC2)C1=O

BDBM50552531

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCCC2)C1=O

BDBM50552532

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCCCC2)C1=O

BDBM50552533

FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CC2)C1=O

BDBM50556205

C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)C(C)O |r|

BDBM50539514

C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|

BDBM50559923

CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CCl)cc1

BDBM50561722

CC(C)(c1ccc(OCc2ccnc(NS(C)(=O)=O)n2)cc1)c1cc(Cl)c(OCCCl)c(Cl)c1

BDBM50561723

CC(C)(c1ccc(OCc2cnc(Cl)o2)cc1)c1cc(Cl)c(OCCCl)c(c1)C#N

BDBM50561724

CSc1nc(C)c(COc2ccc(cc2)C(C)(C)c2cc(Cl)c(OCCCl)c(c2)C#N)o1

BDBM50561725

Cc1cnc(NS(C)(=O)=O)nc1COc1ccc(cc1)C(C)(C)c1cc(Cl)c(OCCCl)c(c1)C#N

BDBM50561726

Cc1nc(NS(C)(=O)=O)nc(COc2ccc(cc2)C(C)(C)c2cc(Cl)c(OCCCl)c(c2)C#N)c1C

BDBM50561727

CC(C)S(=O)(=O)c1nc(COc2ccc(cc2)C(C)(C)c2cc(Cl)c(OCCCl)c(c2)C#N)co1

BDBM50561728

CC(C)S(=O)(=O)Nc1nc(COc2ccc(cc2)C(C)(C)c2cc(Cl)c(OCCCl)c(c2)C#N)co1

BDBM50561729

CC(C)(c1ccc(OCc2cnc(NS(C)(=O)=O)o2)cc1)c1cc(Cl)c(OCCCl)c(c1)C#N

BDBM50561730

CC(C)(c1ccc(OCc2ncc(NS(C)(=O)=O)s2)cc1)c1cc(Cl)c(OCCCl)c(c1)C#N

BDBM50561731

CC(C)(c1ccc(OCc2nc(NS(C)(=O)=O)cs2)cc1)c1cc(Cl)c(OCCCl)c(c1)C#N

BDBM50561732

CC(C)(c1ccc(OCc2cnc(NS(C)(=O)=O)nc2)cc1)c1cc(Cl)c(OCCCl)c(c1)C#N

BDBM50561733

CC(C)(c1ccc(OCc2ccnc(NS(C)(=O)=O)n2)cc1)c1cc(F)c(OCCCl)c(Cl)c1

BDBM50124597

CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(OC(F)F)c-34)c12 |t:1|

BDBM50124600

CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#N)c-34)c12 |t:1|

BDBM50124594

CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12 |t:1|

BDBM50124611

CNc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|

BDBM50072707

CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|

BDBM50124596

CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12 |t:1|

BDBM50107347

COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|

BDBM50124606

CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1|

BDBM50124593

CSc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|

BDBM50124615

CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#C)c-34)c12 |t:1|

BDBM50126158

Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N

BDBM50131268

CCCCN(CCCC)c1ccc(\C=C2/C(=O)ON=C2c2ccccc2)cc1 |c:18|

BDBM50131271

Oc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8|

BDBM50131270

CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50131269

Fc1ccccc1C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8|

BDBM50131272

Fc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8|

BDBM50566807

C[C@](O)(CN1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50566808

C[C@](O)(CNc1nc[nH]n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50566809

C[C@](O)(CNc1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50566810

C[C@](O)(CCc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50566811

C[C@](O)(CCc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50566812

C[C@](O)(CN(c1ccccc1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50133133

CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4C)c3c12 |t:1|

BDBM50133135

CSc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|

BDBM50133131

CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C)c3c12 |t:1|

BDBM50133146

CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4)c3c12 |t:1|

BDBM50133141

CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ncccc4C)c3c12 |t:1|

BDBM50133144

COc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|

BDBM50133132

CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccco4)c3c12 |t:1|

BDBM50133152

CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4)c3c12 |t:1|

BDBM50133140

CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccsc4)c3c12 |t:1|

BDBM50133153

CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4C)c3c12 |t:1|

BDBM50133151

CN(C)c1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29|

BDBM50133136

CCc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|

BDBM50569840

CCC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1[C@@H](C[C@H](C)C(Cl)Cl)C(OC)=CC1=O |r,c:25|

BDBM50569841

COC1=CC(=O)N([C@@H]1CCC(Cl)(Cl)Cl)C(=O)[C@@H](CCC(Cl)(Cl)Cl)NC(=O)C(C)(C)C |r,t:2|

BDBM50569842

COC1=CC(=O)N([C@@H]1CCC(Cl)Cl)C(=O)[C@@H](CCC(Cl)(Cl)Cl)NC(=O)C(C)(C)C |r,t:2|

BDBM50570254

CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50570255

COc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCN(C)CC3)cc2)C2(CCC2)C1=O

BDBM50570256

COc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCN(C)CC3)nc2)C2(CCC2)C1=O

BDBM50570257

Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)cc2)C2(CCC2)C1=O

BDBM50570258

CN1CCC(CC1)Oc1ccc(cn1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50570259

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)cc2)C2(CCC2)C1=O

BDBM50570260

CN1CCC(CC1)Oc1ncc(cn1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50570261

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2cnc(OC3CCNCC3)nc2)C2(CCC2)C1=O

BDBM50570262

Cc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O

BDBM50570263

Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O

BDBM50570264

FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(CN3CCNCC3)cc2)C2(CCC2)C1=O

BDBM50570265

Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50570266

Oc1ccc(cn1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50572221

OC(=O)c1cc(c2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1)C(F)(F)F |c:20,(46.96,-23.25,;46.47,-24.71,;47.49,-25.87,;44.96,-25.01,;44.46,-26.48,;42.95,-26.78,;41.94,-25.62,;40.43,-25.91,;39.43,-24.74,;39.93,-23.29,;41.43,-22.99,;42.44,-24.16,;43.95,-23.86,;37.92,-25.03,;37.41,-26.48,;35.91,-26.76,;34.9,-25.6,;33.89,-24.44,;32.72,-25.45,;33.74,-26.62,;31.19,-25.35,;30.71,-23.88,;29.16,-23.89,;28.69,-25.36,;29.95,-26.26,;29.96,-27.8,;28.63,-28.57,;27.29,-27.8,;28.63,-30.11,;29.96,-30.88,;31.3,-30.11,;31.29,-28.56,;32.62,-27.79,;31.6,-22.64,;33.01,-22.01,;31.76,-21.1,;35.4,-24.15,;36.91,-23.86,;42.45,-28.23,;43.47,-29.39,;40.97,-27.83,;41.68,-29.57,)|

BDBM50573389

Clc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1

BDBM50573390

Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2ccccc2n1

BDBM50573391

Cc1cc(F)cc2c(c[nH]c12)-c1ccc2ccccc2n1

BDBM50573392

Fc1ccc2c(c[nH]c2c1F)-c1ccc2ccccc2n1

BDBM50573393

Cc1c(F)ccc2c(c[nH]c12)-c1ccc2ccccc2n1

BDBM50573394

Fc1cc(Cl)cc2c(c[nH]c12)-c1ccc2ccccc2n1

BDBM50573395

Fc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1

BDBM50573396

Clc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1

BDBM50573397

Fc1ccc2c(c[nH]c2c1Cl)-c1ccc2ccccc2n1

BDBM50573398

Fc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1

BDBM50573399

Cc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1

BDBM50573400

Cc1cc(C)c2[nH]cc(-c3ccc4ccccc4n3)c2c1

BDBM50573401

Cc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1

BDBM50573402

Cc1ccc2c(c[nH]c2c1F)-c1ccc2ccccc2n1

BDBM50573403

Cc1cccc2c(c[nH]c12)-c1ccc2c(cccc2n1)C(F)(F)F

BDBM50573404

CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(C)cccc12

BDBM50573405

Cc1cccc2c(c[nH]c12)-c1ccc2ccc(F)cc2n1

BDBM50573406

Cc1cccc2c(c[nH]c12)-c1ccc2ccc(Cl)cc2n1

BDBM50573407

Cc1cccc2c(c[nH]c12)-c1ccc2cccc(C)c2n1

BDBM50573408

Cc1cccc2c(c[nH]c12)-c1ccc2cccc(F)c2n1

BDBM50573409

Cc1cccc2c(c[nH]c12)-c1ccc2cccc(Cl)c2n1

BDBM50573410

Cc1cccc2c(c[nH]c12)-c1ccc2cccc(Br)c2n1

BDBM50573411

FC(F)CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12

BDBM50573412

Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(=O)NC1CC1

BDBM50573413

Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)-c1cncs1

BDBM50573414

CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12

BDBM50573415

Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(=O)NCC1CC1

BDBM50573416

CC(C)NC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12

BDBM50573417

Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)-c1nccs1

BDBM50573418

Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(F)(F)F

BDBM50573419

CC(C)(C)NC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12

BDBM50573420

OC(c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12)C(F)(F)F

BDBM50573421

CC(C)NC(=O)c1cccc2nc(ccc12)-c1cn(COP([O-])([O-])=O)c2c(F)c(F)c(F)cc12

BDBM50576791

CNC(=O)c1ccc2CC3(Cc2c1)NC(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576792

CNC(=O)c1ccc2CC3(Cc2c1)NC(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50576793

CNC(=O)c1ccc2CC3(Cc2c1)N(C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576794

CNC(=O)c1ccc2CC3(Cc2c1)N(C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50576795

CNC(=O)c1cc2CC3(Cc2cc1F)N(C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576796

CNC(=O)c1cc2CC3(Cc2cc1F)N(C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50576797

CNC(=O)c1ccc2CC3(Cc2c1)N(C)C(=O)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50576798

CN1C(=S)N(C(=O)C11Cc2ccc(OC3CCNCC3)cc2C1)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576799

CNC(=O)c1cc2CC3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576800

CNC(=O)c1cc2CC3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50576801

CNC(=O)c1cc2CC3(Cc2cc1F)N(CC(C)C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576802

CNC(=O)c1cc2CC3(Cc2cc1F)N(CC(C)C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50576803

CNC(=O)c1cc2CC3(Cc2cc1F)N(C1CC1)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576804

CNC(=O)c1cc2CC3(Cc2cc1F)N(C1CCC1)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576805

CNC(=O)c1cc2CC3(Cc2cc1F)N(C1CCCC1)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576806

CNC(=O)c1cc2CC3(Cc2cc1F)N(C1CCCCC1)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F

BDBM50576807

CNC(=O)c1cc2C[C@@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50576808

CNC(=O)c1cc2C[C@@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50576809

CNC(=O)c1cc2C[C@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50576810

CNC(=O)c1cc2C[C@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50144457

Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1

BDBM50144467

Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F

BDBM50584670

CN(C)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50094569

CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|

BDBM50584671

O=S(=O)(Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1

BDBM50584672

Clc1ccc(CS(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1

BDBM50584673

COc1ccc(CS(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1

BDBM50584674

[O-][N+](=O)c1ccc(CS(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1

BDBM50584675

COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584676

CC1NC(=O)NC(=O)C1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584677

Fc1ccc(cc1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584678

Clc1ccc(cc1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584679

Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584680

[O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584681

O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1

BDBM50584682

Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584683

Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584684

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584685

CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584686

CC1Cc2cc(Br)c(cc2N1C(C)=O)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584687

CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584688

Brc1ccc(cc1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584689

FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584690

CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584691

CCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584692

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584693

O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(cc1)C#N

BDBM50584694

[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584695

CCCCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50584696

CC(C)CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM50155875

COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5C[C@H](NCNC(=O)c6cc(COCC#CCN7C(=O)N(C(=O)C7(C)C)c7ccc(C#N)c(c7)C(F)(F)F)ccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

BDBM50135915

CC1(C)N(CCOCCN2CCN(CCOCc3ccc(O)c(c3)C(N)=O)CC2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50135909

CC1(C)N(CCCCN2CCN(CCOCc3ccc(O)c(c3)C(N)=O)CC2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50155877

CCCC(=O)Oc1ccc(COCC#CCN2C(=O)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1C(=O)NCN[C@H]1CC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O

BDBM50410196

CC1(C)N(OCCOCCOCCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50410197

CC1(C)N(OCCOCCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50410198

CC1(C)N(OCC#CCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50156504

Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50156505

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21

BDBM50156507

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1c1c(O)n(-c3ccc(cc3)[N+]([O-])=O)c(=O)n21

BDBM50156508

Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c2ccccc12 |wU:3.3,5.4,(1.88,1.65,;1.41,.18,;-.06,-.29,;-1.39,.48,;-.62,-.85,;-1.39,-2.6,;-2.7,-1.83,;-2.7,-.29,;-4.06,.48,;-4.06,2.03,;-5.39,-.29,;-6.73,.48,;-8.06,-.29,;-9.39,.46,;-9.41,2.03,;-10.59,2.63,;-8.06,2.8,;-6.73,2.03,;-.06,-1.83,;1.41,-2.3,;1.88,-3.77,;2.3,-1.06,;3.84,-1.06,;4.61,-2.42,;6.16,-2.42,;6.93,-1.08,;8.47,-1.06,;10.02,-1.06,;6.16,.27,;6.91,1.61,;6.13,2.94,;4.59,2.91,;3.84,1.58,;4.61,.27,)|

BDBM50156506

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21

BDBM50156509

Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50156510

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21

BDBM50156511

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n21 |wU:11.10,9.9,(-9.25,-.05,;-7.93,.7,;-7.93,2.25,;-9.25,1.48,;-6.58,-.05,;-5.24,.72,;-5.25,2.25,;-3.91,-.05,;-3.91,-1.6,;-2.58,-2.36,;-1.81,-.61,;-2.58,.72,;-1.24,-.05,;.22,.44,;.7,1.89,;1.13,-.83,;2.66,-.83,;3.45,-2.16,;4.99,-2.17,;5.74,-.83,;7.31,-.83,;8.09,-2.17,;8.09,.52,;4.98,.52,;5.73,1.85,;4.96,3.16,;3.41,3.16,;2.66,1.82,;3.44,.51,;.22,-2.07,;.7,-3.53,;-1.24,-1.6,)|

BDBM50156512

CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21

BDBM50156513

Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |wU:3.3,5.4,(1.62,1.68,;1.15,.21,;-.3,-.27,;-1.63,.51,;-.88,-.83,;-1.63,-2.57,;-2.96,-1.81,;-2.96,-.27,;-4.29,.51,;-4.29,2.05,;-5.63,-.27,;-6.96,.51,;-8.29,-.27,;-9.63,.49,;-9.65,2.05,;-10.86,2.66,;-8.29,2.82,;-6.96,2.05,;-.3,-1.81,;1.15,-2.28,;1.62,-3.74,;2.04,-1.04,;3.61,-1.04,;4.37,-2.38,;5.9,-2.38,;6.69,-1.05,;8.24,-1.05,;9.01,-2.38,;9.01,.3,;5.9,.3,;6.67,1.63,;5.9,2.96,;4.36,2.94,;3.61,1.61,;4.37,.3,)|

BDBM50156514

CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)[N+]([O-])=O)c(=O)n21

BDBM50156515

Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50156516

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n21 |wU:11.10,9.9,(-9.25,-.05,;-7.91,.7,;-7.93,2.25,;-9.27,1.48,;-6.58,-.05,;-5.25,.72,;-5.25,2.25,;-3.91,-.05,;-3.91,-1.6,;-2.58,-2.36,;-1.82,-.61,;-2.58,.72,;-1.24,-.05,;.22,.44,;.69,1.89,;1.13,-.83,;2.66,-.83,;3.44,-2.16,;4.99,-2.17,;5.76,-.83,;7.31,-.83,;8.09,-2.17,;8.09,.52,;4.96,.52,;5.74,1.85,;4.96,3.16,;3.41,3.16,;2.66,1.82,;3.44,.51,;.22,-2.07,;.69,-3.53,;-1.24,-1.6,)|

BDBM50156517

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@]1(C)N2C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50156518

CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21

BDBM50156521

Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(cc1)[N+]([O-])=O

BDBM50587506

Oc1ccccc1\C=N\c1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50259603

FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12

BDBM50587507

Cc1cccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)c1

BDBM50587508

Fc1ccccc1COc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50587509

Fc1cccc(Cl)c1COc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50587510

FC(F)(F)c1cc(=O)oc2cc(OCc3ccccc3Cl)ccc12

BDBM50587511

FC(F)(F)c1cc(=O)oc2cc(OCc3cc4OCOc4cc3Cl)ccc12

BDBM50587512

COc1ccc(cc1COc1ccc2c(cc(=O)oc2c1)C(F)(F)F)[N+]([O-])=O

BDBM50587513

CCOC(=O)C(CC)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50587514

COC(=O)C(CC(C)C)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50587515

FC(F)(F)c1cc(=O)oc2cc(OC(=O)C3CCCCC3)ccc12

BDBM50587516

Cn1cc(cn1)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50587517

FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3)ccc12

BDBM50587518

Cc1cccc(c1)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50587519

FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3cccc(Cl)c3)ccc12

BDBM50587520

FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3Cl)ccc12

BDBM50587521

Fc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F

BDBM50587522

CCn1cc(C(=O)Nc2ccc3c(cc(=O)oc3c2)C(F)(F)F)c(C)n1

BDBM50587523

Cn1cc(C(=O)Nc2ccc3c(cc(=O)oc3c2)C(F)(F)F)c(Br)n1

BDBM50587524

Cn1cc(C(=O)Nc2ccc3c(cc(=O)oc3c2)C(F)(F)F)c(I)n1

BDBM50587525

FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3nc4ncccn4n3)ccc12

BDBM50587526

Cc1ccc(OC(=O)Nc2ccc3c(cc(=O)oc3c2)C(F)(F)F)c(C)c1

BDBM50587527

C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F |r|

BDBM50587528

Oc1ccccc1\C=N\c1ccc(Cl)c(Cl)c1

BDBM50587529

Cc1ccc(cc1Br)\N=C\c1ccccc1O

BDBM50587530

Oc1ccccc1\C=N\c1ccc(cc1)C(=O)c1ccccc1

BDBM50587531

Oc1ccccc1\C=N\c1cccc(c1)C#N

BDBM50587532

Oc1ccccc1\C=N\c1ccc2oc(nc2c1)-c1ccccc1

BDBM50587533

FC(F)(F)c1cc(=O)oc2cc(OCc3ccccc3Br)ccc12

BDBM50587534

FC(F)(F)c1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12

BDBM50587535

Fc1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587536

FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12

BDBM21150

FC(F)(F)c1cc(=O)oc2cc(OCc3ccccc3)ccc12

BDBM50587537

Cc1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587538

FC(F)(F)c1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587539

COc1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587540

FC(F)(F)Oc1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587541

CC(C)c1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587542

FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12

BDBM50587543

COC(=O)c1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587544

NC(=O)c1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587545

[O-][N+](=O)c1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587546

CC(=O)c1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1

BDBM50587547

FC(F)(F)c1cc(=O)oc2cc(OCc3ccc4OCOc4c3)ccc12

BDBM50587548

FC(F)(F)c1cc(=O)oc2cc(OCc3ccc4ccccc4c3)ccc12

BDBM50587549

FC(F)(F)c1cc(=O)oc2cc(OCc3ccncc3)ccc12

BDBM50587550

FC(F)(F)c1cc(=O)oc2cc(OCc3cccnc3)ccc12

BDBM50587551

FC(F)(F)c1cc(=O)oc2cc(OCc3ccccn3)ccc12

BDBM50157816

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:6,THB:9:8:6.7:4|

BDBM50157817

Oc1c2C3CCC(CCC3)c2c(O)n1-c1cccc(c1)C(F)(F)F |TLB:1:2:4.5:8.9.7|

BDBM50157818

Cc1cc(ccc1Br)-n1c(O)c2C3C=CC([C@H](O)[C@@H]3O)c2c1O |c:14,TLB:9:11:16.18:14.13,19:18:20.11:14.13,THB:17:16:20.11:14.13|

BDBM50157819

CN1C2C=CC(c3c(O)n(c(O)c23)-c2ccc([N+]([O-])=O)c3ccccc23)C1=O |c:3,TLB:7:6:1.26:3.4,27:26:12.6:3.4,THB:0:1:12.6:3.4,(-3.5,5.13,;-3.76,3.62,;-3.34,2.04,;-4.85,1.74,;-5.8,.53,;-4.29,.83,;-2.78,.32,;-1.87,-.94,;-2.36,-2.4,;-.43,-.45,;-.43,1.08,;.82,1.99,;-1.87,1.55,;.91,-1.22,;.91,-2.77,;2.24,-3.52,;3.56,-2.77,;4.89,-3.52,;4.89,-5.08,;6.21,-2.77,;3.56,-1.24,;4.89,-.45,;4.89,1.08,;3.54,1.85,;2.22,1.08,;2.22,-.45,;-4.59,2.34,;-6.11,2.64,)|

BDBM50157821

Oc1c2C3C=CC([C@@H]4C[C@H]34)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:4,TLB:11:10:7.9:5.4,8:7:2.10:5.4,8:9:2.10:5.4|

BDBM50157820

Oc1c2C3CCC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:7,THB:10:9:7.8:5.4|

BDBM50157823

Cc1cc(ccc1Br)-n1c(O)c2C3CCC(C=C3)c2c1O |c:17,THB:9:11:16.17:13.14|

BDBM50157822

Oc1c2C3CCC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:7,THB:1:2:8.7:5.4|

BDBM50157824

Oc1c2C3C=CC([C@@H]4C[C@H]34)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |wD:7.7,9.8,c:4,TLB:11:10:7.9:5.4,8:7:2.10:5.4,8:9:2.10:5.4,(.68,2.16,;-.56,1.25,;-2.02,1.72,;-3.49,2.21,;-5.01,1.88,;-5.95,.69,;-4.45,1,;-4.75,2.51,;-5.9,3.54,;-3.99,3.84,;-2.93,.48,;-2.02,-.78,;-2.5,-2.25,;-.56,-.29,;.78,-1.06,;.78,-2.62,;2.11,-3.39,;3.44,-2.62,;4.77,-3.39,;4.77,-4.93,;6.11,-2.62,;3.44,-1.08,;4.77,-.29,;4.77,1.25,;3.43,2.02,;2.1,1.25,;2.11,-.29,)|

BDBM50157825

Oc1c2C3CCC(C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |TLB:9:8:7:4.5,THB:1:2:7:4.5|

BDBM50157827

Oc1c2C3CCCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:8,THB:11:10:9.8:5.4.6,(.68,2.16,;-.58,1.25,;-2.03,1.74,;-3.5,2.21,;-3.83,3.73,;-5.9,3.54,;-4.76,2.51,;-4.46,1,;-5.97,.69,;-5.02,1.91,;-2.94,.48,;-2.03,-.75,;-2.51,-2.22,;-.58,-.29,;.77,-1.06,;.77,-2.6,;2.1,-3.37,;3.43,-2.6,;4.78,-3.39,;4.77,-4.93,;6.11,-2.62,;3.43,-1.06,;4.76,-.29,;4.76,1.25,;3.41,2.02,;2.08,1.25,;2.1,-.29,)|

BDBM50157826

Oc1c2C3CCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:7,THB:10:9:7.8:4.5,(.45,2.28,;-.79,1.39,;-2.24,1.86,;-3.71,2.32,;-4.12,3.9,;-4.98,2.62,;-4.64,1.11,;-6.17,.83,;-5.2,2.02,;-3.15,.6,;-2.24,-.63,;-2.72,-2.1,;-.79,-.16,;.54,-.93,;.54,-2.47,;1.86,-3.23,;3.19,-2.47,;4.53,-3.23,;4.53,-4.76,;5.83,-2.48,;3.19,-.93,;4.53,-.16,;4.53,1.39,;3.17,2.14,;1.86,1.39,;1.86,-.16,)|

BDBM50158065

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2ccccc2c1 |c:6,THB:1:2:6.7:4|

BDBM50158066

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(O)c2ncccc12 |c:6,TLB:9:8:6.7:4,THB:1:2:6.7:4,(-2.27,-2.4,;-1.96,-.9,;-2.98,.26,;-4.24,.89,;-4.12,3.53,;-3.84,2.13,;-4.94,1.35,;-5.57,.23,;-2.22,1.59,;-.7,1.28,;.45,2.31,;-.54,-.26,;.8,-1.03,;.8,-2.59,;2.13,-3.35,;3.48,-2.59,;4.81,-3.35,;3.48,-1.03,;4.81,-.26,;4.79,1.28,;3.45,2.06,;2.12,1.28,;2.13,-.27,)|

BDBM50158068

Cc1cc(ccc1Br)-n1c(O)c2C3CC(C=C3)c2c1O |c:16,THB:9:11:15.16:13|

BDBM50158069

Oc1c2C3CCC(C3)c2c(O)n1-c1ccc2ccccc2c1 |TLB:1:2:7:5.4|

BDBM50158070

Oc1c2C3CC(C=C3)c2c(O)n1-c1cc(Cl)cc(Cl)c1 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4|

BDBM50158072

Cc1ccc(cc1C)-n1c(O)c2C3CC(C=C3)c2c1O |c:16,THB:9:11:15.16:13|

BDBM50158071

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |c:6,TLB:1:2:6.7:4,THB:9:8:6.7:4|

BDBM50158073

Oc1c2C3CCC(C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |TLB:1:2:7:5.4,THB:9:8:7:5.4|

BDBM50158067

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4|

BDBM50158064

Oc1c2C3CC(C=C3)c2c(O)n1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:6,THB:1:2:6.7:4|

BDBM50158074

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(cc1)[N+]([O-])=O |c:6,THB:9:8:7.6:4|

BDBM50158075

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4,(.02,2.61,;-1.14,1.58,;-2.64,1.89,;-4.27,2.42,;-4.54,3.83,;-4.67,1.18,;-5.99,.53,;-5.37,1.65,;-3.41,.55,;-2.38,-.59,;-2.7,-2.09,;-.97,.04,;.36,-.73,;.36,-2.28,;1.69,-3.05,;3.02,-2.28,;4.36,-3.05,;4.36,-4.59,;5.71,-2.28,;3.02,-.73,;4.36,.04,;4.36,1.58,;3.02,2.33,;1.69,1.57,;1.69,.04,)|

BDBM50158076

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1 |c:6,THB:9:8:6.7:4|

BDBM50158077

Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:6,THB:1:2:7.6:4|

BDBM50158078

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Br)c(c1)C(F)(F)F |c:6,THB:9:8:6.7:4|

BDBM50589168

[H][C@]12CC[C@@](C)(CC1C=C[C@@]1([H])[C@H](CO)CC(=O)C[C@]21C)C=C |r,c:9|

BDBM50589924

Fc1ccc(NC(=O)Nc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50589925

Fc1ccc(cc1)C(=O)Nc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589926

Fc1ccc(NC(=O)NCc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50589927

Fc1ccc(cc1)S(=O)(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589928

Fc1ccc(cc1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589929

FC(F)(F)c1cc(ccc1C#N)-n1ccc(CNC(=O)c2ccc(Cl)cc2)n1

BDBM50589930

FC(F)(F)c1cc(ccc1C#N)-n1ccc(CNC(=O)c2ccc(cc2)C#N)n1

BDBM50589931

[O-][N+](=O)c1ccc(cc1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589932

FC(F)(F)c1ccc(cc1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589933

CC(C)(O)c1ccc(cc1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589934

CNC(=O)c1ccc(cc1F)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589935

CC(O)c1cc(n[nH]1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589936

Fc1ccc(nc1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589937

Fc1ccc(cn1)C(=O)NCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589938

Cc1cn(nc1CNC(=O)c1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589939

Cc1cn(nc1CNC(=O)c1ccc(cc1)C#N)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589940

Cc1cn(nc1CNC(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589941

Fc1ccc(cc1)C(=O)NCc1nn(cc1-c1ccccc1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589942

Fc1ccc(cc1)C(=O)NCc1nn(cc1C(F)(F)F)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589943

Fc1ccc(cc1)C(=O)NCCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589944

FC(F)(F)c1cc(ccc1C#N)-n1ccc(CCNC(=O)c2ccc(cc2)C#N)n1

BDBM50589945

[O-][N+](=O)c1ccc(cc1)C(=O)NCCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589946

Fc1ccc(cc1)C(=O)NCCCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589947

FC(F)(F)c1cc(ccc1C#N)-n1ccc(CCCNC(=O)c2ccc(cc2)C#N)n1

BDBM50589948

[O-][N+](=O)c1ccc(cc1)C(=O)NCCCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50589949

Fc1ccc(NC(=O)c2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50589950

FC(F)(F)c1cc(ccc1C#N)-n1ccc(n1)C(=O)Nc1ccc(cc1)C#N

BDBM50589951

FC(F)(F)c1cc(ccc1C#N)-n1ccc(n1)C(=O)Nc1ccncc1

BDBM50589952

Fc1ccc(NC(=O)c2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM50589953

Fc1ccc(NC(=O)c2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cn1

BDBM50589954

Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50589955

FC(F)(F)c1cc(ccc1C#N)-n1ccc(CC(=O)Nc2ccc(cc2)C#N)n1

BDBM50589956

[O-][N+](=O)c1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50589957

FC(F)(F)c1cc(ccc1C#N)-n1ccc(CC(=O)Nc2ccncc2)n1

BDBM50589958

Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)nc1

BDBM50589959

Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cn1

BDBM50589960

Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1C#N

BDBM50589961

Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1F

BDBM50589962

Cc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50589963

COc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50589964

Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(Cl)c2)cn1

BDBM50589965

[O-][N+](=O)c1ccc(cc1C(F)(F)F)-n1ccc(CC(=O)Nc2ccc(F)cc2)n1

BDBM50589966

[O-][N+](=O)c1ccc(cc1C(F)(F)F)-n1ccc(CC(=O)Nc2ccc(F)cn2)n1

BDBM50589967

[O-][N+](=O)c1ccc(cc1C(F)(F)F)-n1ccc(CC(=O)Nc2ccc(F)nc2)n1

BDBM50589968

Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(Cl)c2)cc1

BDBM50589969

Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(Cl)c2)nc1

BDBM50589970

C[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)C(C)O |r|

BDBM50593088

[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccncc1 |r,t:3,27|

BDBM50593089

[H][C@@]12CC=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,27|

BDBM50593090

[H][C@@]12CC=C(c3cncc(OC)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,25|

BDBM50593091

[H][C@@]12CC=C(c3cncc(C)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,24|

BDBM50593092

[H][C@@]12CC=C(n3cnc(C)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1cccnc1 |r,t:3,23|

BDBM50593093

[H][C@@]12CC=C(n3ccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccncc1 |r,t:3,22|

BDBM50593084

[H][C@@]12CC=C(n3ccnn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,22|

BDBM50593085

[H][C@@]12CC=C(n3cnc(C)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,23|

BDBM50593094

[H][C@@]12CC=C(n3ccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccnnc1 |r,t:3,22|

BDBM50593087

[H][C@@]12CC=C(n3cnc(C)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccncc1 |r,t:3,23|

BDBM50435990

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O

BDBM50594907

CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12CC |r,c:17,20,t:10|

BDBM50594908

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |r,c:19|

BDBM50594909

[H][C@@]12CC[C@H](OC(=O)CCCCCCCC)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |r,c:30|

BDBM50594910

[H][C@@]12CC[C@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |r,c:35|

BDBM50398195

C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O

BDBM50594911

C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O

BDBM50594912

CN1C(=O)N(C(=O)[C@@]1(O)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50594913

Cc1c(Cl)c(ccc1N1C(=O)C2[C@H](O)CCN2C1=O)C#N |r|

BDBM50377411

FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F

BDBM50594914

Cc1cc(O)nc2ccc(cc12)S(=O)(=O)Nc1ccc(O)cc1

BDBM50180833

Cc1c(ccc(C#N)c1C(F)(F)F)C(C)(C)C(O)C(F)(F)F

BDBM50180832

Cc1c(ccc(C#N)c1C(F)(F)F)C(C)(O)C(F)(F)F

BDBM50180794

OC(c1cocn1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50594915

[H][C@@]12CC[C@H](C(=O)NCc3nc4cccnc4[nH]3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C(F)=C[C@]12C |r,c:39|

BDBM50594916

C[C@@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(I)c1 |r|

BDBM50594917

CC(=O)Nc1ccc(OC[C@@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|

BDBM50594918

C[C@@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM50594919

[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C

BDBM50594920

[H][C@@]12CCC(C(=O)Nc3ccccc3C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C=C[C@]12C |r,c:37|

BDBM50594921

COc1ccc(CC2(CCC(=O)NCCn3ccc4ccccc34)CCC(=O)N2)c2ccccc12

BDBM50594922

CCc1c(C)c2c(ccc3[nH]c(=O)cc(Cl)c23)n1CC(F)(F)F

BDBM50594923

CC(C)N1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO

BDBM50594924

CC(C)(CO)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O |c:15|

BDBM50594925

Cc1cc(Cl)cc2C(NC(=O)COc12)C(=O)Nc1ccc(cc1)[N+]([O-])=O

BDBM50594926

FC(F)(F)c1ccc(NC(=O)C2NC(=O)COc3c(Cl)cc(Cl)cc23)cc1

BDBM50170576

CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50170573

CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1

BDBM50170578

CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50170582

CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1

BDBM36720

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50410420

CCC(CC)(c1ccc(O)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1

BDBM50410421

CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1

BDBM50329704

CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1

BDBM50410422

CCC(CC)(c1ccc(NCC(O)C(C)(C)C)c(C)c1)c1ccc(NCC(O)C(C)(C)C)c(C)c1

BDBM50410423

CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50004519

CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1

BDBM50228080

CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|

BDBM50318300

C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC

BDBM50598586

CC(C)(C)OC(=O)c1cccc2oc(=O)c3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)c12

BDBM50068097

C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50238124

C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1C |r|

BDBM50073104

Cc1c(Cl)c(ccc1N1C2CCC1CC(C)(O)C2)C#N |TLB:16:14:8:10.11,THB:15:14:8:10.11|

BDBM50598587

[H][C@@]1(CCCN1c1ccc(C#N)c(c1)C(F)(F)F)[C@@H](O)C(F)(F)F |r|

BDBM50057651

Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O

BDBM50278226

Cc1ccccc1Oc1ccc(C#N)c(Cl)c1

BDBM50319611

CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50598588

CC(N(C)c1ccc(C#N)c(n1)C(F)(F)F)c1ccccc1

BDBM50248506

Cc1ccccc1Sc1ccc(cc1Cl)C#N

BDBM50598589

[H][C@@]12C\C(=C/c3cncnc3)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C(F)=C[C@]12C |r,c:33|

BDBM50185197

Cn1c-2c(CCc3ncccc-23)c2cc(O)ccc12

BDBM50598590

OC1(CCCC2C1Nc1cc(Cl)c(Cl)cc21)C(F)(F)F

BDBM50598591

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1ccc(o1)-c1ccc(cc1)C#N |r|

BDBM50598592

Cc1c(N[C@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl |r|

BDBM50338693

CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O |r,c:15|

BDBM50355936

CN(C)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|

BDBM50598593

C[C@](O)(CCOc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50598594

OC(CC#N)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F

BDBM50317662

CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1

BDBM50194342

CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50598595

CC(O)(C[S+]([O-])c1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50598596

FC(F)(F)c1nnc2ccc(nn12)N1CCN(Cc2ccc(cc2)C#N)CC1

BDBM50215713

Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N |r|

BDBM50598597

Cc1c(ccc(c1Cl)C#N)N2C(=O)[C@@H]3[C@@H](CCN3C2=O)O

BDBM50598598

[H][C@@]12CN(C(=O)Oc3ccc(CCCC)cc3)[C@@]([H])(C1)[C@@]1([H])N2C(=O)N(C1=O)c1ccc([N+]([O-])=O)c2ccccc12 |r|

BDBM50598599

[H][C@@]12C(=O)N(C(=O)[C@]1([H])[C@]1(C)O[C@@]2(C)C[C@H]1O)c1ccc(C#N)c(I)c1 |r,TLB:2:1:14.15:11,16:15:1.7:11|

BDBM50598600

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)CN(C[C@@]2(C)O1)C(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r,THB:5:7:16:11.13.12,17:12:7.1:16|

BDBM50598601

[H][C@]12C[C@H](F)[C@]([H])(C1)[C@@]1(C(=O)NC)C(=O)N(C(=O)[C@@]21[H])c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50122650

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50598602

OC[C@]1(NC(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1 |r|

BDBM50598603

C[C@]1(NC(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(O)cc1 |r|

BDBM50598604

Oc1ccc(-c2ccc([nH]2)C#N)c(F)c1

BDBM50598605

CCCN(CC(F)(F)F)c1cc(Br)c(s1)C#N

BDBM50363354

CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50363360

CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(Cl)c1 |r|

BDBM50598606

Cc1c(C#N)c(c(C)n1-c1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N

BDBM50366221

Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1

BDBM50598607

Cc1nn(c(C)c1Oc1ccc(cn1)C(=O)NC(C)(C)C)-c1ccc(C#N)c(Cl)c1

BDBM50428551

CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r|

BDBM50252176

Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50598608

[H][C@]12CCCC[C@@]1([H])C(=NO2)c1ccc(C#N)c(c1)C(F)(F)F |r,c:9|

BDBM50425733

NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12

BDBM50598609

CC(=O)OC[C@H](COc1ccc(cc1)C(C)(C)c1ccc(OC[C@@H](CCl)OC(C)=O)cc1)OC(C)=O

BDBM50420540

COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O

BDBM50598610

CC(C)C(NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccco1

BDBM50436483

CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(Cl)c(Cl)c1

BDBM50587736

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

BDBM19410

Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1

BDBM50599533

CC1(C)N(CCCC(=O)NO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50599534

CC1(C)N(CCCCC(=O)NO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50599535

CC1(C)N(CCCCCC(=O)NO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50599536

CC1(C)N(CCCCCCC(=O)NO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50599537

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(cc1)C(=O)Nc1ccccc1N

BDBM50599538

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(cn1)C(=O)Nc1ccccc1N

BDBM50599539

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(nc1)C(=O)Nc1ccccc1N

BDBM50599540

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1

BDBM50599541

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1

BDBM50599542

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccccc1

BDBM50599543

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1

BDBM50599544

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1cccs1

BDBM50199113

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)Nc2ccccc2N)c(F)c1

BDBM50599545

CC1(C)N(Cc2ccc(cc2)C(=O)Nc2ccccc2N)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50599546

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)C12CC(CC(=O)Nc3ccccc3N)(C1)C2

BDBM50600998

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)CC[C@]12C |t:19|

BDBM50602177

CC(Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)C(C)O

BDBM50404395

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(cc1)C(C)(C)C

BDBM50404396

COC(=O)c1ccc(cc1)-c1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1

BDBM50404397

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCc1c(C=O)c(O)c(O)c(C)c1-c1ccccc1 |r,t:17|

BDBM50404398

CC(C)CCSCc1c(C=O)c(O)c(O)c(C)c1-c1ccccc1

BDBM50404399

CCc1cc(COCc2ccccc2)c(C=O)c(O)c1O

BDBM50404400

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCc1cc(C)c(O)c(O)c1C=O |r,t:17|

BDBM50404401

Cc1cc(COCc2ccccc2)c(C=O)c(O)c1O

BDBM50404402

COc1ccc(COCc2c(CC=C)c(C)c(O)c(O)c2C=O)cc1

BDBM50404403

Cc1c2C(CCc2c(C=O)c(O)c1O)C#Cc1ccc(Br)cc1

BDBM50404404

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)c1ccc(cc1)[C@H]1CCc2c1c(C)c(O)c(O)c2C=O)[C@H](C)CCCC(C)C |r,t:9|

BDBM50404405

Cc1c(O)c(O)c(C=O)c(COCc2cccc3ccccc23)c1-c1ccccc1

BDBM50404406

Cc1c(O)c(O)c(C=O)c(COCC#C)c1-c1ccccc1

BDBM50404407

Cc1c2c(CCC22c3ccccc3-c3ccccc23)c(C=O)c(O)c1O

BDBM50404408

Cc1ccc(cc1)-c1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1

BDBM50404409

COc1ccc(COCc2cc(C)c(O)c(O)c2C=O)cc1

BDBM50404410

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-c1cc(-[#6])c(-[#8])c(-[#8])c1-[#6]=O

BDBM50404411

CC(C)c1cc(COCc2ccccc2)c(C=O)c(O)c1O

BDBM50404412

Cc1c(C)c(COCc2ccccc2)c(C=O)c(O)c1O

BDBM50404413

CCc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccccc1

BDBM50404414

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1CC=C

BDBM50404415

Cc2c(O)c(O)c(C=O)c(COCc1ccccc1)c2CO[Si](C)(C)C

BDBM50404416

CC(=C)Cc1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1

BDBM50404417

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1cccc2ccccc12 |(-2.01,5.39,;-2.01,3.85,;-3.34,3.08,;-4.67,3.85,;-3.34,1.54,;-4.67,.77,;-2.01,.77,;-2.01,-.77,;-3.34,-1.54,;-.67,1.54,;.66,.77,;.66,-.77,;2,-1.54,;2,-3.08,;.66,-3.85,;.66,-5.39,;2,-6.16,;3.33,-5.39,;3.34,-3.85,;-.67,3.08,;.66,3.85,;.66,5.39,;1.99,6.16,;3.33,5.39,;3.33,3.85,;4.66,3.09,;4.67,1.55,;3.35,.78,;2.01,1.53,;2,3.08,)|

BDBM50404418

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1cccs1

BDBM50404419

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccccc1

BDBM50404420

COc1ccc(cc1)-c1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1

BDBM50404421

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(F)cc1

BDBM50404422

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Br)cc1

BDBM50404423

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Cl)cc1

BDBM50404424

Cc1cccc(c1)-c1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1

BDBM50404425

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccccc1Cl |(-1.34,5.39,;-1.34,3.85,;-2.67,3.08,;-4,3.85,;-2.67,1.54,;-4,.77,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-0,1.54,;1.33,.77,;1.33,-.77,;2.66,-1.54,;2.66,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;4,-5.4,;4,-3.86,;-0,3.08,;1.33,3.85,;2.67,3.08,;4,3.85,;4,5.39,;2.66,6.16,;1.33,5.39,;-0,6.16,)|

BDBM50404426

Cc1ccccc1-c1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1 |(-0,6.16,;1.33,5.39,;2.66,6.16,;4,5.39,;4,3.85,;2.67,3.08,;1.33,3.85,;-0,3.08,;-1.34,3.85,;-1.34,5.39,;-2.67,3.08,;-4,3.85,;-2.67,1.54,;-4,.77,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-0,1.54,;1.33,.77,;1.33,-.77,;2.66,-1.54,;2.66,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;4,-5.4,;4,-3.86,)|

BDBM50404427

COc1ccccc1-c1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1 |(-0,6.93,;-0,5.39,;1.33,4.62,;2.66,5.39,;4,4.62,;4,3.08,;2.67,2.3,;1.33,3.08,;-0,2.31,;-1.34,3.08,;-1.34,4.62,;-2.67,2.31,;-4,3.08,;-2.67,.77,;-4,-0,;-1.34,-0,;-1.34,-1.54,;-2.67,-2.31,;-0,.77,;1.33,-0,;1.33,-1.54,;2.66,-2.31,;2.66,-3.85,;1.33,-4.62,;1.33,-6.16,;2.67,-6.93,;4,-6.17,;4,-4.63,)|

BDBM50404428

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccccc1Br |(-1.34,5.39,;-1.34,3.85,;-2.67,3.08,;-4,3.85,;-2.67,1.54,;-4,.77,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-0,1.54,;1.33,.77,;1.33,-.77,;2.66,-1.54,;2.66,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;4,-5.4,;4,-3.86,;-0,3.08,;1.33,3.85,;2.67,3.08,;4,3.85,;4,5.39,;2.66,6.16,;1.33,5.39,;-0,6.16,)|

BDBM50404429

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50404430

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccccc1C#N |(-1.34,5,;-1.34,3.46,;-2.67,2.69,;-4,3.46,;-2.67,1.15,;-4,.38,;-1.34,.38,;-1.34,-1.16,;-2.67,-1.93,;-0,1.15,;1.33,.38,;1.33,-1.16,;2.66,-1.93,;2.66,-3.47,;1.33,-4.24,;1.33,-5.77,;2.67,-6.54,;4,-5.78,;4,-4.24,;-0,2.69,;1.33,3.46,;2.67,2.69,;4,3.47,;4,5,;2.66,5.77,;1.33,5,;-0,5.77,;-1.34,6.54,)|

BDBM50404431

Cc1c(O)c(O)c(C=O)c(COCc2ccc(cc2)C(F)(F)F)c1-c1ccccc1

BDBM50404432

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(cc1)C(F)(F)F

BDBM50404433

Cc1c(O)c(O)c(C=O)c(COCc2cccc(c2)C(F)(F)F)c1-c1ccccc1

BDBM50404434

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(cc1)-c1ccccc1

BDBM50404435

Cc1c(O)c(O)c(C=O)c(COCc2ccc(F)cc2)c1-c1ccccc1

BDBM50404436

Cc1c(O)c(O)c(C=O)c(COCc2cccc(F)c2)c1-c1ccccc1

BDBM50404437

Cc1cccc(COCc2c(C=O)c(O)c(O)c(C)c2-c2ccccc2)c1

BDBM50404438

Cc1ccc(COCc2c(C=O)c(O)c(O)c(C)c2-c2ccccc2)cc1

BDBM50404439

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(OC(F)(F)F)cc1

BDBM50404440

COc1cccc(COCc2c(C=O)c(O)c(O)c(C)c2-c2ccccc2)c1

BDBM50404441

COc1ccccc1COCc1c(C=O)c(O)c(O)c(C)c1-c1ccccc1

BDBM50404442

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccccc1C(F)(F)F |(-1.34,4.62,;-1.34,3.08,;-2.67,2.31,;-4,3.08,;-2.67,.77,;-4,-0,;-1.34,-0,;-1.34,-1.54,;-2.67,-2.31,;-0,.77,;1.33,-0,;1.33,-1.54,;2.66,-2.31,;2.66,-3.85,;1.33,-4.62,;1.33,-6.16,;2.67,-6.93,;4,-6.17,;4,-4.63,;-0,2.31,;1.33,3.08,;2.67,2.3,;4,3.08,;4,4.62,;2.66,5.39,;1.33,4.62,;-0,5.39,;-0,6.93,;-1.54,5.39,;-1.09,6.48,)|

BDBM50404443

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccccc1OC(F)(F)F |(-1.34,3.85,;-1.34,2.31,;-2.67,1.54,;-4,2.31,;-2.67,-0,;-4,-.77,;-1.34,-.77,;-1.34,-2.31,;-2.67,-3.08,;-0,-0,;1.33,-.77,;1.33,-2.31,;2.66,-3.08,;2.66,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.94,;4,-5.4,;-0,1.54,;1.33,2.31,;2.67,1.53,;4,2.31,;4,3.84,;2.66,4.62,;1.33,3.85,;-0,4.62,;-0,6.16,;-1.34,6.93,;1.33,6.93,;-0,7.7,)|

BDBM50404444

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2F)c1-c1ccccc1

BDBM50404445

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2C(F)(F)F)c1-c1ccccc1

BDBM50404446

Cc1c(O)c(O)c(C=O)c(COCc2ccc(OC(F)(F)F)cc2)c1-c1ccccc1

BDBM50404447

Cc1c(O)c(O)c(C=O)c(COCc2ccc(F)cc2)c1-c1ccc(F)cc1

BDBM50404448

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2F)c1-c1ccc(F)cc1

BDBM50404449

Cc1c(O)c(O)c(C=O)c(COCc2ccc(F)cc2)c1-c1ccc(cc1)C(F)(F)F

BDBM50404450

Cc1c(O)c(O)c(C=O)c(COCc2cccc(F)c2)c1-c1ccc(cc1)C(F)(F)F

BDBM50404451

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2F)c1-c1ccc(cc1)C(F)(F)F

BDBM50404452

Cc1c(O)c(O)c(C=O)c(COCc2ccc(F)cc2)c1-c1cccc(F)c1

BDBM50404453

Cc1c(O)c(O)c(C=O)c(COCc2cccc(F)c2)c1-c1cccc(F)c1

BDBM50404454

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2F)c1-c1cccc(F)c1

BDBM50404455

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2C(F)(F)F)c1-c1cccc(F)c1

BDBM50404461

Cc1c(O)c(O)c(C=O)c(COCc2cccc(Cl)c2Cl)c1-c1ccccc1

BDBM50404464

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(cc1Br)C(F)(F)F |(-2.67,4.62,;-2.67,3.08,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;-2.67,,;-2.67,-1.54,;-4,-2.31,;-1.33,.77,;0,,;0,-1.54,;1.33,-2.31,;1.33,-3.85,;0,-4.62,;0,-6.16,;1.34,-6.93,;2.67,-6.16,;2.67,-4.62,;-1.33,2.31,;0,3.08,;1.34,2.31,;2.67,3.08,;2.67,4.62,;1.33,5.39,;0,4.62,;-1.33,5.39,;4,5.39,;4,6.93,;5.33,4.62,;5.33,6.16,)|

BDBM50404465

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Br)cc1F |(-2,5.39,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-3.33,1.54,;-4.67,.77,;-2,.77,;-2,-.77,;-3.33,-1.54,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;3.33,-5.4,;3.34,-3.86,;-.67,3.08,;.67,3.85,;2.01,3.08,;3.34,3.85,;3.33,5.39,;4.67,6.16,;2,6.16,;.67,5.39,;-.67,6.16,)|

BDBM50404466

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(cc1Cl)C(F)(F)F |(-2.67,4.62,;-2.67,3.08,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,0,;-2.67,0,;-2.67,-1.54,;-4,-2.31,;-1.33,.77,;0,0,;0,-1.54,;1.33,-2.31,;1.33,-3.85,;0,-4.62,;0,-6.16,;1.34,-6.93,;2.67,-6.16,;2.67,-4.62,;-1.33,2.31,;0,3.08,;1.34,2.31,;2.67,3.08,;2.67,4.62,;1.33,5.39,;0,4.62,;-1.33,5.39,;4,5.39,;4,6.93,;5.33,4.62,;5.33,6.16,)|

BDBM50404467

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(F)cc1F |(-2,5.39,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-3.33,1.54,;-4.67,.77,;-2,.77,;-2,-.77,;-3.33,-1.54,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;3.33,-5.4,;3.34,-3.86,;-.67,3.08,;.67,3.85,;2.01,3.08,;3.34,3.85,;3.33,5.39,;4.67,6.16,;2,6.16,;.67,5.39,;-.67,6.16,)|

BDBM50404468

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1cccc(Br)c1F |(-1.34,4.62,;-1.34,3.08,;-2.67,2.31,;-4,3.08,;-2.67,.77,;-4,,;-1.34,,;-1.34,-1.54,;-2.67,-2.31,;-0,.77,;1.33,,;1.33,-1.54,;2.66,-2.31,;2.66,-3.85,;1.33,-4.62,;1.33,-6.16,;2.67,-6.93,;4,-6.16,;4,-4.62,;-0,2.31,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;2.66,5.39,;2.66,6.93,;1.33,4.62,;-0,5.39,)|

BDBM50404469

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(F)c(F)c1

BDBM50404470

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Br)c(F)c1

BDBM50404471

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Cl)cc1Br |(-2,5.39,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-3.33,1.54,;-4.67,.77,;-2,.77,;-2,-.77,;-3.33,-1.54,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;3.33,-5.4,;3.34,-3.86,;-.67,3.08,;.67,3.85,;2.01,3.08,;3.34,3.85,;3.33,5.39,;4.67,6.16,;2,6.16,;.67,5.39,;-.67,6.16,)|

BDBM50404472

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50404824

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(Cl)cc1C(F)(F)F |(-2,4.62,;-2,3.08,;-3.33,2.31,;-4.67,3.08,;-3.33,.77,;-4.67,-0,;-2,-0,;-2,-1.54,;-3.33,-2.31,;-.67,.77,;.67,-0,;.67,-1.54,;2,-2.31,;2,-3.85,;.67,-4.62,;.67,-6.16,;2,-6.93,;3.33,-6.17,;3.34,-4.63,;-.67,2.31,;.67,3.08,;2.01,2.3,;3.34,3.08,;3.33,4.62,;4.67,5.39,;2,5.39,;.67,4.62,;-.67,5.39,;-.67,6.93,;-2.21,5.39,;-1.76,6.48,)|

BDBM50404826

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(F)cc1Cl |(-2,5.39,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-3.33,1.54,;-4.67,.77,;-2,.77,;-2,-.77,;-3.33,-1.54,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;3.33,-5.4,;3.34,-3.86,;-.67,3.08,;.67,3.85,;2.01,3.08,;3.34,3.85,;3.33,5.39,;4.67,6.16,;2,6.16,;.67,5.39,;-.67,6.16,)|

BDBM50404827

Cc1ccc(F)cc1-c1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1 |(-.67,6.16,;.67,5.39,;2,6.16,;3.33,5.39,;3.33,3.85,;4.67,3.08,;2.01,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-2,5.39,;-3.34,3.08,;-4.67,3.85,;-3.34,1.54,;-4.67,.77,;-2,.77,;-2,-.77,;-3.34,-1.54,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;3.33,-5.4,;3.34,-3.86,)|

BDBM50404828

Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1cc(F)ccc1F |(-2,5.39,;-2,3.85,;-3.33,3.08,;-4.67,3.85,;-3.33,1.54,;-4.67,.77,;-2,.77,;-2,-.77,;-3.33,-1.54,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;3.33,-5.4,;3.34,-3.86,;-.67,3.08,;.67,3.85,;2.01,3.07,;3.33,3.85,;4.67,3.08,;3.33,5.39,;2,6.16,;.67,5.39,;-.67,6.16,)|

BDBM50404831

Cc1cc(C)cc(c1)-c1c(C)c(O)c(O)c(C=O)c1COCc1ccccc1

BDBM23223

CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|

BDBM50404832

Cc1c(O)c(O)c(C=O)c(COCc2cccc(F)c2)c1-c1ccc(F)cc1

BDBM50608976

COC(=O)c1ccc(cc1F)C1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50609682

CC1(C)N(CCCC(=O)NCCOCCOC(=O)CC23CC4CC(CC(C4)C2)C3)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F |TLB:18:19:22.21.26:24,THB:27:19:22:26.25.24,27:25:22:19.28.20,20:19:22.21.26:24,20:21:19.28.27:24|

BDBM50609683

CC1(C)N(CCCC(=O)NCCOCCOCCOCCOC23CC4CC(CC(C4)C2)C3)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F |TLB:25:26:23.24.29:30,THB:27:26:23:29.28.30,27:28:23:31.25.26,25:24:30:31.26.27|

BDBM50609684

Clc1ccc(cc1)-c1cnc2CCCn12

BDBM50611383

CC1(CC1)C1CC(n2nc(cc2N1)C(O)=O)C(F)(F)F

BDBM50611384

OC(=O)c1nn2C(CC(Nc2c1Cl)c1ccccc1)C(F)(F)F

BDBM50611385

COc1ccc(cc1OC)C1CC(n2nc(cc2N1)-c1ccc(cc1)C(O)=O)C(F)(F)F

BDBM50611386

Cc1ccc(cc1)C1CC(n2nc(cc2N1)C(N)=O)C(F)(F)F

BDBM50611941

C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)=C1CC[C@@H]2c1ccc(=O)oc1 |r,c:17|

BDBM50611942

C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2c1ccc(=O)oc1 |r,c:19|

BDBM50584761

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O

BDBM50199965

BrCC(Br)C1CCC(Br)C(Br)C1

BDBM50201771

CCSCC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:4.4|

BDBM50201772

CC(C)C(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:3.3|

BDBM50201773

OC(C=C)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:1.0|

BDBM50205096

O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(Cl)c1)c2=O

BDBM50205097

CCc1cc(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(4.34,-4.72,;3.58,-3.37,;4.36,-2.05,;5.9,-2.06,;6.68,-.73,;5.91,.61,;4.37,.62,;3.6,-.71,;2.06,-.7,;1.16,.55,;1.65,2.01,;-.3,.08,;-1.76,.57,;-2.23,2.04,;-2.68,-.68,;-1.77,-1.93,;-.31,-1.46,;1.15,-1.94,;1.62,-3.41,;8.22,-.73,;9.76,-.74,)|

BDBM50205098

Cc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:14.15,(1.66,-40.91,;.9,-39.57,;-.64,-39.56,;-1.42,-40.88,;-1.4,-38.22,;-.62,-36.89,;.91,-36.9,;1.68,-38.24,;3.22,-38.24,;4.76,-38.25,;-2.94,-38.21,;-3.83,-36.96,;-3.35,-35.5,;-5.3,-37.43,;-6.76,-36.94,;-7.23,-35.47,;-7.68,-38.19,;-6.77,-39.44,;-5.31,-38.97,;-3.85,-39.45,;-3.38,-40.92,)|

BDBM50205099

COc1c(C)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:13.14,(-2.46,-47.7,;-3.22,-46.35,;-2.44,-45.03,;-.9,-45.04,;-.14,-46.38,;-.12,-43.71,;-.89,-42.37,;-2.42,-42.36,;-3.2,-43.69,;-4.74,-43.68,;-5.63,-42.44,;-5.15,-40.97,;-7.1,-42.9,;-8.56,-42.41,;-9.03,-40.94,;-9.47,-43.66,;-8.57,-44.91,;-7.11,-44.44,;-5.65,-44.92,;-5.18,-46.39,;1.42,-43.71,;2.97,-43.72,)|

BDBM50205100

Cc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:17.18,(-.05,-49.74,;.73,-48.41,;-.03,-47.07,;.75,-45.75,;2.28,-45.75,;3.05,-47.09,;4.59,-47.09,;6.13,-47.1,;2.27,-48.42,;3.03,-49.77,;3.79,-51.1,;1.69,-50.53,;4.38,-49.01,;-1.57,-47.07,;-2.46,-45.82,;-1.98,-44.35,;-3.93,-46.28,;-5.39,-45.8,;-5.86,-44.33,;-6.31,-47.04,;-5.4,-48.29,;-3.94,-47.82,;-2.48,-48.3,;-2.01,-49.77,)|

BDBM50205101

O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)C(F)(F)F)c2=O

BDBM50205102

CCc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:18.19,(4.34,-4.72,;3.58,-3.37,;4.36,-2.05,;3.6,-.71,;4.37,.62,;5.91,.61,;6.68,-.73,;8.22,-.73,;9.76,-.74,;5.9,-2.06,;6.66,-3.4,;7.42,-4.73,;5.32,-4.17,;8,-2.65,;2.06,-.7,;1.16,.55,;1.65,2.01,;-.3,.08,;-1.76,.57,;-2.23,2.04,;-2.68,-.68,;-1.77,-1.93,;-.31,-1.46,;1.15,-1.94,;1.62,-3.41,)|

BDBM50205103

COc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(.83,-2.32,;1.61,-.99,;.85,.35,;-.69,.37,;-1.47,-.96,;-1.45,1.7,;-.68,3.03,;.86,3.03,;1.63,1.68,;3.17,1.68,;4.71,1.67,;-2.99,1.71,;-3.89,2.96,;-3.4,4.42,;-5.35,2.49,;-6.81,2.98,;-7.28,4.45,;-7.73,1.73,;-6.83,.49,;-5.36,.96,;-3.9,.47,;-3.44,-1,)|

BDBM50205104

O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(F)c1F)c2=O |wU:1.0,(16.12,-15.47,;16.59,-16.94,;15.67,-18.19,;16.58,-19.44,;18.04,-18.97,;18.05,-17.43,;19.52,-16.97,;20,-15.5,;20.41,-18.21,;21.95,-18.22,;22.73,-16.89,;24.26,-16.9,;25.03,-18.24,;26.57,-18.24,;28.11,-18.25,;24.25,-19.57,;25.01,-20.91,;22.71,-19.56,;21.93,-20.89,;19.5,-19.45,;19.97,-20.92,)|

BDBM50205105

O[C@@H]1CCn2c1c(O)n(-c1ccc(cc1)C#N)c2=O

BDBM50205106

COc1cc(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O

BDBM50205107

COc1c(Cl)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(1.24,-38.75,;2.02,-37.42,;1.26,-36.08,;-.28,-36.06,;-1.06,-37.39,;-1.04,-34.73,;-.27,-33.4,;1.27,-33.4,;2.04,-34.75,;3.58,-34.75,;5.12,-34.76,;-2.58,-34.72,;-3.48,-33.47,;-2.99,-32.01,;-4.94,-33.94,;-6.4,-33.45,;-6.87,-31.98,;-7.32,-34.7,;-6.42,-35.94,;-4.95,-35.47,;-3.49,-35.96,;-3.02,-37.43,)|

BDBM50205108

O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3cccnc13)c2=O |wU:1.0,(15.06,5.91,;15.52,4.44,;14.61,3.19,;15.51,1.94,;16.98,2.41,;16.99,3.95,;18.45,4.42,;18.94,5.88,;19.35,3.17,;20.89,3.16,;21.66,4.49,;23.2,4.48,;23.97,3.14,;25.51,3.14,;27.05,3.13,;23.19,1.81,;23.96,.47,;23.18,-.86,;21.63,-.85,;20.87,.49,;21.65,1.82,;18.44,1.93,;18.9,.46,)|

BDBM50205110

COc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:18.19,(13.93,-47.01,;13.17,-45.67,;13.95,-44.34,;13.19,-43,;13.96,-41.68,;15.5,-41.68,;16.27,-43.03,;17.81,-43.03,;19.35,-43.03,;15.49,-44.36,;16.25,-45.7,;17.01,-47.03,;14.91,-46.46,;17.6,-44.95,;11.65,-43,;10.76,-41.75,;11.24,-40.29,;9.29,-42.22,;7.83,-41.73,;7.36,-40.26,;6.91,-42.97,;7.82,-44.22,;9.28,-43.75,;10.74,-44.24,;11.21,-45.71,)|

BDBM50205111

Cc1c(Cl)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:14.15,(22.97,-37.01,;22.21,-35.67,;20.67,-35.65,;19.89,-36.98,;19.91,-34.31,;20.69,-32.99,;22.22,-32.99,;22.99,-34.34,;24.53,-34.34,;26.08,-34.34,;18.37,-34.31,;17.48,-33.06,;17.96,-31.6,;16.01,-33.53,;14.55,-33.04,;14.08,-31.57,;13.63,-34.28,;14.54,-35.53,;16,-35.06,;17.46,-35.55,;17.93,-37.02,)|

BDBM50205112

Cc1c(ccc(C#N)c1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(-.55,-20.76,;.23,-19.43,;-.53,-18.1,;.25,-16.77,;1.78,-16.77,;2.56,-18.12,;4.1,-18.12,;5.64,-18.12,;1.77,-19.45,;2.53,-20.79,;3.29,-22.13,;-2.07,-18.09,;-2.96,-16.84,;-2.48,-15.38,;-4.43,-17.31,;-5.89,-16.82,;-6.36,-15.35,;-6.8,-18.07,;-5.9,-19.31,;-4.44,-18.84,;-2.98,-19.33,;-2.51,-20.8,)|

BDBM50205113

O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(Cl)c1F)c2=O |wU:1.0,(-7.12,-24.7,;-6.65,-26.17,;-7.57,-27.42,;-6.66,-28.66,;-5.2,-28.19,;-5.19,-26.66,;-3.72,-26.19,;-3.24,-24.73,;-2.83,-27.44,;-1.29,-27.45,;-.52,-26.12,;1.02,-26.12,;1.79,-27.47,;3.33,-27.47,;4.87,-27.48,;1.01,-28.8,;1.77,-30.14,;-.53,-28.78,;-1.31,-30.11,;-3.74,-28.68,;-3.27,-30.15,)|

BDBM50205109

O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)-c1ccccc1)c2=O

BDBM50205115

Cc1cc(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:11.12,(19.99,-30.33,;20.77,-29,;22.31,-29.02,;23.09,-27.69,;22.32,-26.34,;20.79,-26.34,;20.01,-27.66,;18.47,-27.66,;17.58,-26.41,;18.06,-24.95,;16.11,-26.88,;14.65,-26.39,;14.18,-24.92,;13.73,-27.63,;14.64,-28.88,;16.1,-28.41,;17.56,-28.9,;18.03,-30.37,;24.63,-27.69,;26.18,-27.69,)|

BDBM50205114

Cc1c(F)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(21.37,-1.41,;22.15,-.08,;23.69,-.09,;24.45,-1.43,;24.47,1.24,;23.7,2.58,;22.16,2.59,;21.39,1.26,;19.85,1.27,;18.96,2.52,;19.44,3.98,;17.49,2.05,;16.03,2.54,;15.56,4.01,;15.11,1.29,;16.02,.04,;17.48,.51,;18.94,.03,;19.41,-1.44,;26.01,1.24,;27.55,1.23,)|

BDBM50205117

Cc1c(O)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(19.73,-50.01,;20.51,-48.68,;22.05,-48.7,;22.81,-50.04,;22.83,-47.37,;22.06,-46.02,;20.52,-46.02,;19.75,-47.34,;18.21,-47.34,;17.31,-46.09,;17.8,-44.63,;15.85,-46.55,;14.38,-46.07,;13.92,-44.6,;13.47,-47.31,;14.37,-48.56,;15.84,-48.09,;17.3,-48.58,;17.76,-50.05,;24.37,-47.37,;25.91,-47.37,)|

BDBM50205116

Cc1c(Br)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(21.54,-10.86,;22.32,-9.54,;23.86,-9.55,;24.62,-10.89,;24.64,-8.22,;23.87,-6.88,;22.33,-6.87,;21.56,-8.2,;20.02,-8.19,;19.13,-6.94,;19.61,-5.48,;17.66,-7.41,;16.2,-6.92,;15.73,-5.45,;15.28,-8.17,;16.19,-9.42,;17.65,-8.95,;19.11,-9.43,;19.58,-10.9,;26.18,-8.22,;27.72,-8.23,)|

BDBM50205118

COC(=O)c1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:17.18,(23.96,-42.91,;23.2,-41.57,;23.98,-40.24,;25.52,-40.26,;23.22,-38.9,;21.68,-38.88,;20.9,-40.21,;20.92,-37.55,;21.69,-36.22,;23.23,-36.22,;24,-37.57,;25.54,-37.57,;27.08,-37.58,;19.38,-37.54,;18.49,-36.29,;18.97,-34.83,;17.02,-36.76,;15.56,-36.27,;15.09,-34.8,;14.64,-37.52,;15.55,-38.76,;17.01,-38.3,;18.47,-38.78,;18.94,-40.25,)|

BDBM50620120

Fc1cc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2cc1N1CCN(CC2CCN(CC2)c2ccc(nn2)C(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(C#N)c(Cl)c2)CC1 |r,wU:40.44,wD:43.51,(12.2,2.72,;13.53,3.49,;14.87,2.72,;16.2,3.49,;17.66,3.02,;18.25,1.6,;18.57,4.26,;20.11,4.17,;20.88,5.5,;22.42,5.5,;23.19,4.17,;24.73,4.17,;22.42,2.84,;20.88,2.84,;20.11,1.5,;17.67,5.51,;18.14,6.97,;16.2,5.03,;14.87,5.8,;13.53,5.03,;12.2,5.8,;10.87,5.03,;9.53,5.8,;9.53,7.34,;8.2,8.11,;6.86,7.34,;5.53,8.11,;4.2,7.34,;4.2,5.8,;5.53,5.03,;6.86,5.8,;2.86,5.03,;1.53,5.8,;.2,5.03,;.2,3.49,;1.53,2.72,;2.86,3.49,;-1.14,2.72,;-1.14,1.18,;-2.47,3.49,;-3.81,2.72,;-3.81,1.18,;-5.14,.41,;-6.47,1.18,;-6.47,2.72,;-5.14,3.49,;-7.81,.41,;-9.14,1.18,;-9.14,2.72,;-10.47,3.49,;-11.81,2.72,;-13.14,3.49,;-14.47,4.26,;-11.81,1.18,;-13.14,.41,;-10.47,.41,;10.87,8.11,;12.2,7.34,)|

BDBM50620466

Clc1cc(ccc1C#N)N1CCC2(C1)CCN(CC2)C(=O)c1ccccc1

BDBM50620467

Clc1cc(ccc1C#N)N1CCC2(C1)CCN(CC2)c1ccccc1

BDBM50620468

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCC2(CCN(C2)c2ccc(C#N)c(Cl)c2)CC1

BDBM50620469

CN1CCN(CC1)C(=O)c1ccc(cc1)N1CCC2(CCN(C2)c2ccc(C#N)c(Cl)c2)CC1

BDBM50620470

C[C@H]1CC2(CN1c1ccc(C#N)c(Cl)c1)CCN(CC2)c1ccc(cc1)C(=O)N1CCN(CC1)C1CN(C1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1 |r|

BDBM50620627

Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1 |r,t:7,13|

BDBM50620628

CCc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1 |r,t:8,14|

BDBM50620630

CC(C)c1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1 |r,t:9,15|

BDBM50620632

COc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccnnc1 |r,t:8,14|

BDBM50620635

C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)NC(=O)c3ccnnc3)C1CC=C2n1cnc(c1)[N+]([O-])=O |r,c:30,t:7|

BDBM50620637

Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1F |r,t:7,13|

BDBM50620638

Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(cc1)[N+]([O-])=O |r,t:7,13|

BDBM50620639

Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(cc1)C#N |r,t:7,13|

BDBM50620640

Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(cc1)S(C)(=O)=O |r,t:7,13|

BDBM50620641

Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1 |r,t:7,13|

BDBM50620642

Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1F |r,t:7,13|

BDBM50621584

C[C@](O)(Cn1c2ccccc2c2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50621585

C[C@](O)(Cn1c2ccccc2c2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621586

C[C@](O)(Cn1c2ccccc2c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621587

C[C@](O)(Cn1c2ccccc2c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50621588

C[C@](O)(Cn1c2ccc(F)cc2c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621589

C[C@](O)(Cn1nc2ccc(F)cc2n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621590

C[C@](O)(Cn1nnc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621591

C[C@](O)(Cn1nnc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621592

C[C@](O)(Cn1nc2ccc(cc2n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621593

C[C@](O)(Cn1nnc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621594

C[C@](O)(Cn1nnc2cc(ccc12)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621595

C[C@](O)(Cn1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621596

C[C@](O)(Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621597

C[C@](O)(Cn1cnc2c(F)cccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50621598

C[C@](O)(Cn1cnc2cccc(F)c12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621599

C[C@](O)(Cn1cnc2c(F)cccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621600

C[C@](O)(Cn1cnc2c(cccc12)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621601

C[C@](O)(Cn1cnc2cccc(c12)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621602

C[C@](O)(Cn1cc(F)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621603

C[C@](O)(Cn1cc(Cl)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621604

C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621605

C[C@](O)(Cn1cc(C=O)c2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621606

C[C@](O)(Cn1cc(\C=N/O)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621607

C[C@](O)(Cn1cc(\C=N/O)c2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621608

CC(=O)N\N=C/c1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c2ccc(F)cc12 |r|

BDBM50621609

C[C@](O)(Cn1cc(C#N)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621610

C[C@](O)(Cn1cc(C#N)c2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621611

C[C@](O)(Cn1cc([N+]([O-])=O)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621612

C[C@](O)(Cn1ncc2c(F)cccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621613

C[C@](O)(Cn1cc2c(F)cccc2n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621614

C[C@](O)(Cn1cc2c(cccc2n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621615

C[C@](O)(Cn1nc(F)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621616

C[C@](O)(Cn1nc(F)c2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621617

C[C@](O)(Cn1nc(Cl)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621618

C[C@](O)(Cn1nc(Cl)c2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621619

C[C@](O)(Cn1nc(Br)c2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621620

C[C@](O)(Cn1nc(I)c2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621621

Cc1nn(C[C@](C)(O)C(=O)Nc2cnc(C#N)c(c2)C(F)(F)F)c2ccc(F)cc12 |r|

BDBM50621622

C[C@](O)(Cn1nc(Cl)c2c(cccc12)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621623

C[C@](O)(Cn1nc(Cl)c2c(cccc12)C(F)(F)F)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621624

C[C@](O)(Cn1nc(C=O)c2cc(F)ccc12)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|

BDBM50621625

C[C@](O)(Cn1nc(Cl)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r|

BDBM50621626

C[C@](O)(Cn1cc(F)c2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621627

C[C@](O)(Cn1ncc2c(cccc12)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621628

C[C@](O)(CN1C(=O)C(=O)c2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621629

C[C@](O)(Cn1nnc2cc(ccc12)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50621630

C[C@](O)(Cn1nnc2ccc(cc12)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50206599

CC(O)(CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

BDBM50621751

OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.72,6.29,;-7.62,5.2,;-8.01,3.71,;-6.14,5.59,;-5.04,4.5,;-3.56,4.89,;-2.46,3.79,;-2.85,2.31,;-4.34,1.92,;-5.43,3.01,;-1.76,1.21,;-.27,1.6,;.82,.51,;.43,-.98,;1.52,-2.07,;3.01,-1.6,;4.18,-2.62,;4.03,-4.18,;5.43,-4.81,;6.45,-3.64,;5.67,-2.31,;6.29,-.9,;5.36,.35,;3.87,.2,;5.98,1.76,;7.54,1.92,;8.48,.66,;7.86,-.74,;8.72,-1.99,;2.62,-4.96,;1.92,-6.29,;1.13,-4.96,;-1.06,-1.37,;-2.15,-.27,)|

BDBM50621752

OC(=O)C1(CC1)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.73,1.33,;-7.24,1.73,;-6.15,.64,;-6.84,3.22,;-7.24,4.71,;-8.33,3.62,;-5.35,3.62,;-4.96,5.17,;-3.49,5.56,;-2.4,4.47,;-2.79,2.99,;-4.26,2.53,;-1.7,1.91,;-.22,2.29,;.87,1.21,;.48,-.27,;1.57,-1.36,;3.05,-.89,;4.14,-1.98,;3.98,-3.46,;5.38,-4.08,;6.47,-2.99,;5.69,-1.59,;6.32,-.19,;5.38,1.05,;3.83,.89,;6,2.45,;7.56,2.61,;8.42,1.36,;7.79,-.04,;8.73,-1.28,;2.66,-4.24,;1.88,-5.56,;1.1,-4.24,;-1,-.74,;-2.09,.35,)|

BDBM50623215

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])Cc3nn(c(C)c3C[C@]12C)-c1ccc(F)cc1 |r|

BDBM50628745

CN([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)N1CCN(CC1)C1CN(C1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)c1ccc(C#N)c(Cl)c1 |r,wU:5.8,wD:2.1,(5.36,-26.45,;6.1,-25.1,;7.64,-25.08,;8.44,-26.4,;9.99,-26.38,;10.73,-25.03,;9.94,-23.71,;8.4,-23.73,;12.27,-25,;13.07,-26.32,;12.32,-27.67,;14.61,-26.29,;15.39,-27.62,;16.93,-27.59,;17.68,-26.24,;16.88,-24.91,;15.34,-24.95,;19.22,-26.21,;20.01,-27.54,;21.54,-27.51,;22.3,-26.17,;21.5,-24.84,;19.96,-24.86,;23.84,-26.14,;24.94,-27.22,;26.02,-26.11,;24.91,-25.04,;27.55,-26.09,;28.32,-27.42,;29.86,-27.41,;30.62,-26.07,;32.14,-25.74,;33.28,-26.76,;32.29,-24.2,;33.62,-23.42,;33.6,-21.89,;34.94,-21.12,;36.27,-21.88,;37.6,-21.11,;36.27,-23.42,;34.95,-24.2,;34.95,-25.74,;30.87,-23.58,;30.54,-22.07,;29.84,-24.74,;28.3,-24.75,;5.32,-23.78,;6.07,-22.45,;5.28,-21.12,;3.73,-21.14,;2.95,-19.82,;2.15,-18.5,;2.99,-22.5,;1.45,-22.53,;3.78,-23.81,)|

BDBM50628746

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCC2(CC1)CCN(CC2)c1ccc(C#N)c(Cl)c1

BDBM50628747

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCC2(C1)CCN(CC2)c1ccc(C#N)c(Cl)c1

BDBM50628748

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)c1ccc(C#N)c(Cl)c1

BDBM50628749

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCC2(CCN(C2)c2ccc(C#N)c(Cl)c2)C1

BDBM50628750

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CC2(C1)CCN(C2)c1ccc(C#N)c(Cl)c1

BDBM50628751

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCC2(CN(C2)c2ccc(C#N)c(Cl)c2)CC1

BDBM50628752

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCC2(CN(C2)c2ccc(C#N)c(Cl)c2)C1

BDBM50628753

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CC2(CCN2c2ccc(C#N)c(Cl)c2)C1

BDBM50628754

CN1CCN(CC1)c1ccc(cc1)C(=O)N1CC2(C1)CN(C2)c1ccc(C#N)c(Cl)c1

BDBM50628755

CN([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)N1CCN(C)CC1)c1ccc(C#N)c(Cl)c1 |r,wU:5.8,wD:2.1,(5.9,-27.79,;6.65,-26.44,;8.19,-26.42,;8.98,-27.74,;10.52,-27.72,;11.27,-26.38,;10.49,-25.06,;8.94,-25.07,;12.81,-26.37,;13.6,-27.69,;12.84,-29.03,;15.14,-27.67,;15.91,-29,;17.45,-28.99,;18.21,-27.64,;17.42,-26.31,;15.88,-26.34,;19.75,-27.63,;20.53,-28.95,;22.06,-28.94,;22.82,-27.6,;24.36,-27.59,;22.04,-26.27,;20.5,-26.28,;5.86,-25.12,;6.61,-23.78,;5.83,-22.46,;4.28,-22.47,;3.5,-21.15,;2.72,-19.82,;3.53,-23.81,;1.99,-23.83,;4.31,-25.14,)|

BDBM50628756

CN1CCN(CC1)c1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccc(C#N)c(Cl)c1 |r,wU:16.17,wD:19.24,(11.16,-3.33,;9.62,-3.33,;8.85,-4.66,;7.31,-4.66,;6.54,-3.33,;7.31,-2,;8.85,-2,;5,-3.33,;4.23,-2,;2.69,-2,;1.92,-3.33,;2.69,-4.66,;4.23,-4.66,;.38,-3.33,;-.39,-4.67,;-.39,-2,;-1.93,-2,;-2.7,-3.33,;-4.24,-3.33,;-5.01,-2,;-4.24,-.67,;-2.7,-.67,;-6.55,-2,;-7.32,-.67,;-6.54,.67,;-7.32,2,;-8.85,2,;-9.62,3.33,;-10.39,4.67,;-9.62,.67,;-11.16,.67,;-8.86,-.67,)|

BDBM50628757

CN1CCN(CC1)C(=O)c1ccc(cc1)N1CCC2(CCN(C2)c2ccc(C#N)c(Cl)c2)C1

BDBM50628758

CN1CCN(CC1)C(=O)c1ccc(cc1)N1CCC2(C1)CCN(CC2)c1ccc(C#N)c(Cl)c1

BDBM50630852

CSc1ccc(cc1-c1ccccc1)C(N)=O

BDBM50630853

CSc1ccc(cc1-c1cccs1)C(N)=O

BDBM50630854

CSc1ccc(cc1-c1c(C)noc1C)C(N)=O |(3.22,3.69,;1.88,2.92,;1.88,1.38,;3.21,.61,;3.21,-.93,;1.89,-1.69,;.55,-.93,;.55,.61,;-.78,1.38,;-2.19,.76,;-2.59,-.73,;-3.22,1.9,;-2.45,3.24,;-.95,2.92,;.14,4,;1.89,-3.23,;.55,-4,;3.22,-4,)|

BDBM50630855

CSc1ccc(cc1-c1ccc[nH]1)C(N)=O

BDBM50630856

CSc1ccc(cc1-c1ccc2[nH]ncc2c1)C(N)=O

BDBM50630857

CSc1ccc(cc1-c1ccc2[nH]ccc2c1)C(N)=O

BDBM50630858

CSc1ccc(cc1-c1ccc2cn[nH]c2c1)C(N)=O

BDBM50630859

CSc1ccc(cc1-c1ccc2[nH]cnc2c1)C(N)=O

BDBM50630860

CSc1ccc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630861

CSc1ccc(cc1-c1ccc2n(C)ccc2c1)C(N)=O

BDBM50630862

CSc1ccc(cc1-c1ccc2nccn2c1)C(N)=O

BDBM50630863

CSc1ccc(cc1-c1cccc2NC(=O)Cc12)C(N)=O

BDBM50630864

CSc1ccc(cc1-c1ccc2ncccc2c1)C(N)=O

BDBM50630865

CSc1ccc(cc1-c1ccc2cnccc2c1)C(N)=O

BDBM50630866

CSc1ccc(cc1-c1cccnc1)C(N)=O

BDBM50630867

CSc1ccc(cc1-c1ccncc1)C(N)=O

BDBM50630868

CSc1ccc(cc1-c1cncnc1)C(N)=O

BDBM50630869

CSc1ccc(cc1-c1ccc2occc2c1)C(N)=O

BDBM50630870

CSc1ccc(cc1-c1ccc2ocnc2c1)C(N)=O

BDBM50630871

CSc1ccc(cc1-c1ccc2OCCc2c1)C(N)=O

BDBM50630872

COc1ccc(cc1OC)-c1cc(ccc1SC)C(N)=O

BDBM50630873

COc1ccc(cc1F)-c1cc(ccc1SC)C(N)=O

BDBM50630874

COc1cc(ccc1N)-c1cc(ccc1SC)C(N)=O

BDBM50630875

CSc1ccc(cc1-c1cccc(O)c1F)C(N)=O

BDBM50630876

CSc1ccc(cc1-c1cc(O)cc(F)c1)C(N)=O

BDBM50630877

CSc1ccc(cc1-c1ccc(F)c(O)c1)C(N)=O

BDBM50630878

CSc1ncc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630879

Cn1ncc2cc(ccc12)-c1cc(cnc1SCc1ccccc1)C(N)=O

BDBM50630880

Cn1ncc2cc(ccc12)-c1cncc(c1)C(N)=O

BDBM50630881

COc1ncc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630882

CSc1c(F)cc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630883

CSc1cc(cc(c1)-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630884

Cn1ncc2cc(ccc12)-c1cc(ccc1SCc1ccccc1)C(N)=O

BDBM50630885

Cc1ccc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630886

CCc1ccc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630887

Cn1ncc2cc(ccc12)-c1cccc(c1)C(N)=O

BDBM50630888

Cn1ncc2cc(ccc12)-c1cc(ccc1F)C(N)=O

BDBM50630889

Cn1ncc2cc(ccc12)-c1cc(ccc1C(F)(F)F)C(N)=O

BDBM50630890

COc1ccc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630891

Cn1ncc2cc(ccc12)-c1cc(ccc1OCc1ccccc1)C(N)=O

BDBM50630892

Cn1ncc2cc(ccc12)-c1cc(ccc1OC(F)(F)F)C(N)=O

BDBM50630893

Cn1ncc2cc(ccc12)-c1cc(ccc1O)C(N)=O

BDBM50630894

Cn1ncc2cc(ccc12)-c1cc(ccc1OCC1CC1)C(N)=O

BDBM50630895

CC(C)COc1ccc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630896

Cn1ncc2cc(ccc12)-c1cc(ccc1NCc1ccccc1)C(N)=O

BDBM50630897

Cn1ncc2cc(ccc12)-c1cc(ccc1N1CCOCC1)C(N)=O

BDBM50630898

Cn1ncc2cc(ccc12)-c1cc(ccc1NCCN1CCOCC1)C(N)=O

BDBM50630899

Cn1ncc2cc(ccc12)-c1cc(ccc1NCCN1CCCCC1)C(N)=O

BDBM50630900

Cn1ncc2cc(ccc12)-c1cc(ccc1NCCCN1CCOCC1)C(N)=O

BDBM50630901

CN(C)CCNc1ccc(cc1-c1ccc2n(C)ncc2c1)C(N)=O

BDBM50630902

CSc1ccc(cc1-c1cncnc1)C(O)=O

BDBM50630903

CSc1ccc(cc1-c1cncnc1)C(=O)N1CCCCC1

BDBM50630904

CSc1ccc(cc1-c1cncnc1)C(=O)N1CCOCC1

BDBM50630905

CSc1ccc(cc1-c1ccno1)C(N)=O

BDBM50214922

COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|

BDBM50214923

COc1c(O)ccc2O\C(=C/c3ccc(F)cc3CO)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30|

BDBM50214944

COc1c(O)ccc2O\C(=C/c3cccc(C)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|

BDBM50214929

COCOCc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:27.38,26.28,c:26,35,39|

BDBM50215709

CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:12|

BDBM50215710

CC1[C@@H]2[C@@H](O)CCN2S(=O)(=O)N1c1ccc(C#N)c(Cl)c1C |w:1.0|

BDBM50215711

Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2C[C@H](O)CN2S1(=O)=O)C#N

BDBM50215712

Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@@H](O)CCN2S1(=O)=O)C#N

BDBM50215714

Cc1c(Cl)c(ccc1N1C[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N

BDBM50215716

Cc1c(Cl)c(ccc1N1C(=O)[C@]2(C)[C@H](O)CCN2S1(=O)=O)C#N

BDBM50215715

Cc1c(Cl)c(ccc1NS(=O)(=O)N1CC[C@@H](O)[C@H]1C(O)=O)C#N

BDBM50215717

COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1C

BDBM50215718

COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C

BDBM50215719

Cc1c(Cl)c(ccc1N1C[C@@H]2[C@@H](O)CCN2S1(=O)=O)C#N

BDBM50634842

N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(Cc5ccc(NC6CN(CCCF)C6)cc5)CC4)nn3)CC2)cc1Cl

BDBM50219260

Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N

BDBM50219533

CC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F

BDBM50219534

CC(C)C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F

BDBM50219535

CCN1[C@@H](COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F)C(C)C

BDBM50219536

CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C

BDBM50219537

FC(F)(F)CN1[C@H](Cc2ccccc2)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F

BDBM50219539

CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F |r|

BDBM50219538

CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(C)C

BDBM50219541

CCCN1[C@H](CC)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F

BDBM50219540

C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C

BDBM50219543

C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F

BDBM50219542

CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC

BDBM50219545

FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@H](COc3c12)c1ccccc1

BDBM50219546

C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C

BDBM50219544

FC(F)(F)CN1[C@@H](COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F)c1ccccc1

BDBM50219547

CCCN1[C@H](C)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F

BDBM50219548

CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(C)(C)O

BDBM50219551

FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@@H](COc3c12)c1ccccc1

BDBM50219550

FC(F)(F)c1cc(=O)[nH]c2ccc3NCCOc3c12

BDBM50219549

FC(F)(F)CN1CCOc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F

BDBM50219553

CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C

BDBM50219552

FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)C(COc3c12)c1ccccc1 |w:18.26|

BDBM50219555

CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C

BDBM50219556

CCC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F

BDBM50219557

CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F

BDBM50219554

FC(F)(F)c1cc(=O)[nH]c2ccc3N[C@@H](COc3c12)c1ccccc1

BDBM50219558

CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C

BDBM50219559

C[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F

BDBM50219560

CCN1[C@H](C)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F

BDBM50220375

Cc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220376

COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220377

Oc1cccc(O)c1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220378

OC(=O)COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220379

FC(F)(F)c1cc(ccc1C#N)-c1ccccc1C(F)(F)F

BDBM50220380

Oc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220381

COC(=O)COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220382

Cc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220383

COc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220384

COc1cccc(OC)c1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220385

Oc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220386

Cc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220387

OCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220391

COCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220390

COCCOCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220388

COc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50220389

FC(F)(F)c1cc(ccc1C#N)-c1ccccc1Cl

BDBM50220635

CCCCN(C)c1cc(c(cn1)C#N)C(F)(F)F

BDBM50220636

C[C@@H](Nc1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1

BDBM50220637

C[C@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1

BDBM50220638

FC(F)(F)c1cc(ncc1C#N)N1CCC2CCCCC2C1 |w:15.15,20.22|

BDBM50220639

CC(N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |w:1.0|

BDBM50220640

CC1CCN(CC1)c1cc(c(cn1)C#N)C(F)(F)F

BDBM50220641

FC(F)(F)c1cc(ncc1C#N)N1CCCCC1

BDBM50220642

CCC(C)N(C)c1cc(c(cn1)C#N)C(F)(F)F |w:2.2|

BDBM50220643

CCCN(CC1CC1)c1cc(c(cn1)C#N)C(F)(F)F

BDBM50220644

CCCN(CCC)c1cc(c(cn1)C#N)C(F)(F)F

BDBM50220940

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C

BDBM50220934

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:25|

BDBM50220944

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCCCCCCC(O)=O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:21|

BDBM50220936

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27|

BDBM50220937

CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50220943

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:26|

BDBM50220941

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:28|

BDBM50220939

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:29|

BDBM50220935

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27|

BDBM50220945

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:28|

BDBM50220938

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C

BDBM50220933

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(O)=O)C[C@H]1CC(=O)CC[C@]31C |w:20.21|

BDBM50220942

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27|

BDBM50220947

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:29|

BDBM50220946

C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:26|

BDBM50221435

FC(F)(F)c1cc(O[C@H]2CCCC[C@@H]2C#N)ccc1C#N

BDBM50221436

FC(F)(F)c1cc(OC2CCCCC2C#N)ccc1C#N |w:13.14,8.7|

BDBM50228077

COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2[C@@H]3O[C@@H]3[C@@]3(C)C(CC[C@@]33CCC(=O)O3)C12 |t:6|

BDBM50228079

C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1

BDBM50228078

C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F

BDBM50228081

C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1

BDBM50243394

CC1=C[C@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27|

BDBM50252451

[O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1cccc(c1)C(=O)N1CCCC1

BDBM50252450

[O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1ccc(cc1)C(=O)N1CCCC1

BDBM50252387

Cn1cc(cc1C(=O)N1CCCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252385

CCN(CC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252384

Cn1cc(cc1C(N)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252332

Cn1cc(cc1C(O)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252331

Cn1cc(cc1CO)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252330

CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252329

COC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1

BDBM50252328

CC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1

BDBM50252277

Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C(F)(F)F

BDBM50252276

Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C#N

BDBM50252274

Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccccc1[N+]([O-])=O

BDBM50252218

Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(CO)cc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252216

Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(O)cc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252215

Cc1ccc(CN(c2cc(C(=O)N3CCCC3)n(C)c2)c2ccc(cc2)[N+]([O-])=O)cc1

BDBM50252177

Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252175

Cn1cc(cc1C(=O)N1CCCC1)N(CC1CCCCC1)c1ccc(cc1)[N+]([O-])=O

BDBM50252174

CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O

BDBM50252173

CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O

BDBM50252127

CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O

BDBM50252126

Cc1cc(C)cc(c1)N(Cc1ccc(CO)cc1)c1cc(C(=O)N2CCCC2)n(C)c1

BDBM50252125

Cc1cc(C)cc(c1)N(Cc1ccc(O)cc1)c1cc(C(=O)N2CCCC2)n(C)c1

BDBM50252124

Cc1cc(C)cc(c1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1

BDBM50252123

Cc1cc(C)cc(c1)N(CC1CCCCC1)c1cc(C(=O)N2CCCC2)n(C)c1

BDBM50252080

CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1

BDBM50252079

CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1

BDBM50252078

CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1

BDBM50252077

Cn1cc(Nc2ccc(cc2)[N+]([O-])=O)cc1C(=O)N1CCCC1

BDBM50252076

Cc1cc(C)cc(Nc2cc(C(=O)N3CCCC3)n(C)c2)c1

BDBM50252075

Clc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8|

BDBM50252024

CCN(CC)c1ccc(C=c2c(=C)[nH]oc2=O)cc1 |w:9.8|

BDBM50252217

Cn1cc(cc1C(=O)N1C[C@H](O)[C@@H](O)C1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O |r|

BDBM50252449

Cn1cc(cc1C(=O)N1CCc2ccccc12)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252386

CCCCN(CCCC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50252275

Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50247954

COc1cc(SC(C)C)ccc1C#N

BDBM50247955

COc1cc(SCC2CC2)ccc1C#N

BDBM50247958

CCCSc1ccc(C#N)c(c1)C(F)(F)F

BDBM50247959

CCCCSc1ccc(C#N)c(c1)C(F)(F)F

BDBM50248548

COc1cc(Oc2ccc(C)cc2)ccc1C#N

BDBM50248505

Cc1ccccc1Oc1ccc(cc1Cl)C#N

BDBM50247976

CC(C)Sc1ccc(C#N)c(c1)C(F)(F)F

BDBM50248549

COc1cc(ccc1Oc1ccccc1C)C#N

BDBM50247953

CCCCSc1ccc(C#N)c(OC)c1

BDBM50247952

CCCSc1ccc(C#N)c(OC)c1

BDBM50247951

COc1cc(Sc2c(C)cc(C)cc2C)ccc1C#N

BDBM50248041

FC(F)(F)c1cc(SCC2CCC2)ccc1C#N

BDBM50248595

COc1ccccc1Sc1ccc(C#N)c(c1)C(F)(F)F

BDBM50248044

FC(F)(F)c1cc(SC2CCC2)ccc1C#N

BDBM50248598

COc1ccccc1Sc1ccc(C#N)c(OC)c1

BDBM50248599

COc1cc(Sc2c(C)cccc2C)ccc1C#N

BDBM50248509

COc1cc(Oc2cccc(C)c2)ccc1C#N

BDBM50248040

FC(F)(F)c1cc(SCC2CC2)ccc1C#N

BDBM50248594

Fc1ccccc1Sc1ccc(C#N)c(c1)C(F)(F)F

BDBM50248508

COc1cc(Oc2ccccc2C)ccc1C#N

BDBM50248593

Cc1ccccc1Sc1ccc(C#N)c(c1)C(F)(F)F

BDBM50248043

CC(C)(C)Sc1ccc(C#N)c(c1)C(F)(F)F

BDBM50248550

COc1cc(ccc1Oc1cccc(C)c1)C#N

BDBM50248596

Cc1cccc(C)c1Sc1ccc(C#N)c(c1)C(F)(F)F

BDBM50247956

COc1cc(SCC2CCC2)ccc1C#N

BDBM50248042

CC(C)CCSc1ccc(C#N)c(c1)C(F)(F)F

BDBM50248552

Cc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50248597

Cc1cc(C)c(Sc2ccc(C#N)c(c2)C(F)(F)F)c(C)c1

BDBM50248553

Cc1cccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c1

BDBM50247957

COc1cc(SCCC(C)C)ccc1C#N

BDBM50248551

COc1cc(ccc1Oc1ccc(C)cc1)C#N

BDBM50248554

Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50248507

Cc1ccccc1S(=O)c1ccc(cc1Cl)C#N

BDBM50276168

CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r|

BDBM50276127

CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1 |r|

BDBM50276126

CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r|

BDBM50276473

CC[C@@]12[C@H](O)C[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|

BDBM50276472

CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|

BDBM50276471

CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|

BDBM50276438

CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|

BDBM50276170

CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|

BDBM50278452

COc1ccc(C)cc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278451

COc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278453

COc1ccc(CO)cc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278450

COc1cccc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278285

COc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278354

CCCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278353

CCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278403

Oc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278404

CSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278401

Cc1cccc(C)c1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278402

Cc1cc(C)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c(C)c1

BDBM50278405

CCOc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278498

COc1cccc(F)c1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278406

CCSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278497

Cc1ccc(O)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c1

BDBM50278355

FC(F)(F)c1cc(Oc2ccccc2-c2ccccc2)ccc1C#N

BDBM50278356

CC(C)c1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278283

FC(F)(F)c1cc(Oc2cccc(Cl)c2)ccc1C#N

BDBM50278284

FC(F)(F)c1cc(Oc2ccc(Cl)cc2)ccc1C#N

BDBM50278351

COc1cccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c1

BDBM50278352

COc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1

BDBM50278282

FC(F)(F)c1cc(Oc2ccccc2Cl)ccc1C#N

BDBM50278454

CCOc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50278455

Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c(O)c1

BDBM50241192

C[C@]1(CC(N=N1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r,c:4|

BDBM50258791

OC1CC2CCC(C1)N2c1ccc(C#N)c2ccccc12 |TLB:0:1:8:4.5,9:8:7.1.2:4.5|

BDBM50258752

CN(C)C1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO

BDBM50258751

O[C@](C=C)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |r|

BDBM50296860

COc1ccc2OC(CC(=O)c2c1)c1ccccc1

BDBM50296861

Oc1ccc2OC(CC(=O)c2c1)c1ccccc1

BDBM50051358

O=C1CC(Oc2ccccc12)c1ccccc1

BDBM7462

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

BDBM7458

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

BDBM50296862

COc1cccc2oc(cc(=O)c12)-c1ccccc1

BDBM50049385

Oc1cccc2oc(cc(=O)c12)-c1ccccc1

BDBM50187668

Oc1c(oc2ccccc2c1=O)-c1ccccc1

BDBM50028962

c1ccc(cc1)C2=CC(=O)c3ccccc3O2

BDBM9461

COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O

BDBM19459

c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O

BDBM50296932

CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:21|

BDBM50296933

C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:12|

BDBM50296934

COC[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:14|

BDBM50296935

CN1[C@@H]2CC[C@H]3[C@@H]4C[C@@H](Cc5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|

BDBM50296936

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|

BDBM50296937

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cc(F)cc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:31|

BDBM50296938

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|

BDBM50296939

C\C=C1/C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:13|

BDBM50296940

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccn5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|

BDBM50296941

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccncc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|

BDBM50296942

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|

BDBM50296943

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|

BDBM50296944

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(nc5)C5CC5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:33|

BDBM50296945

COc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18|

BDBM50296946

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(C)nc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|

BDBM50296947

CNc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18|

BDBM50296948

CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(nc5)-c5ccccn5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:36|

BDBM50298036

C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N

BDBM50298028

C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N

BDBM50298219

CN1CC[C@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|

BDBM50305316

Oc1ccc2c(c(Cc3ccccc3)c(=O)oc2c1)C(F)(F)F

BDBM50305335

Cc1cccc(SCc2cc(=O)oc3cc(O)ccc23)n1

BDBM50253371

CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1

BDBM50315100

CC(=O)CCc1ccc(cc1)O

BDBM50164168

COc1cc(ccc1O)CC=C

BDBM50304073

COc1cc(CCC(C)=O)ccc1O

BDBM50315101

CC(=O)Cc1ccc(O)cc1

BDBM50318295

CC1=NC(C)=C([C@@H](C1C#N)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C |r,c:4,t:1|

BDBM50318296

CCCC1=C([C@@H](C(C#N)C(C)=N1)c1ccnc2ccccc12)C(=O)OCC |r,c:10,t:3|

BDBM50318298

COC(=O)C1[C@H](C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |r,c:16,t:13|

BDBM50318943

CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N

BDBM50318934

CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1

BDBM50319612

CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r|

BDBM50319613

CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50319614

Fc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c(F)c1

BDBM50323524

CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.01,-37.57,;28.39,-38.98,;26.86,-39.15,;29.3,-40.22,;30.85,-40.22,;31.33,-41.69,;30.08,-42.6,;28.83,-41.7,;27.5,-42.46,;26.16,-41.7,;24.83,-42.47,;23.48,-41.71,;22.16,-42.49,;22.17,-44.02,;20.84,-44.79,;20.84,-46.33,;19.5,-44.03,;18.17,-44.8,;18.18,-46.35,;16.84,-47.12,;15.5,-46.35,;15.51,-44.81,;16.84,-44.04,;14.17,-47.12,;12.84,-46.35,;14.17,-48.66,;23.5,-44.79,;24.83,-44.01,;23.5,-46.33,;22.17,-47.1,;24.84,-47.1,;23.49,-47.86,;30.09,-44.13,;31.42,-44.89,;32.75,-44.11,;31.43,-46.43,;30.1,-47.21,;28.76,-46.45,;28.75,-44.91,;27.42,-44.14,)|

BDBM50323530

CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(21.34,-24.3,;21.34,-22.76,;20,-21.99,;18.67,-22.77,;17.33,-22,;16,-22.77,;16,-24.32,;17.34,-25.09,;18.67,-24.32,;17.34,-26.63,;16,-27.4,;18.67,-27.4,;22.67,-21.98,;22.65,-20.45,;23.98,-19.67,;25.32,-20.44,;26.66,-19.66,;28,-20.43,;29.32,-19.66,;29.79,-18.19,;31.35,-18.19,;31.83,-19.65,;30.58,-20.57,;30.59,-22.1,;31.92,-22.86,;33.25,-22.08,;31.93,-24.4,;30.6,-25.18,;29.26,-24.41,;29.25,-22.87,;27.92,-22.11,;28.88,-16.95,;28.71,-15.42,;27.47,-16.33,;25.33,-21.98,;24,-22.75,;24,-24.29,;22.67,-25.06,;25.34,-25.06,;23.99,-25.83,)|

BDBM50323533

CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)|

BDBM50318666

C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|

BDBM50327040

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1 |r,c:27,t:8|

BDBM50327041

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1 |r,c:27,t:7|

BDBM50327042

C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@]1(C)CC=CC(=O)N1 |r,c:27,t:7|

BDBM50327043

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@]1(C)CC=CC(=O)N1 |r,c:27,t:7|

BDBM50334048

CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |w:1.0|

BDBM50334054

C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|

BDBM50334055

Cc1cc(c(Cl)c2c1NC(C)(C)C(O)C2(C)C)-c1cccc2cc[nH]c12

BDBM50334058

C[C@@H]1[C@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|

BDBM50336929

CC[C@@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|

BDBM50336930

CC[C@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|

BDBM50336931

CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc12

BDBM50336932

COc1cc(ccc1C#N)-c1cn(C(C)C)c2cc(NS(C)(=O)=O)ccc12

BDBM50336933

CC(C)n1cc(-c2ccc(C#N)c(C)c2)c2ccc(NS(C)(=O)=O)cc12

BDBM50336934

CC(C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12

BDBM50336935

CCn1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12

BDBM50336936

Cn1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12

BDBM50228076

C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F

BDBM50336937

COc1ccc(cc1)C(c1c[nH]c2ccccc12)c1ccccc1

BDBM50336997

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|

BDBM50338324

C[C@@H]1[C@@H](O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(14.53,-20.63,;14.54,-22.18,;15.87,-22.97,;17.22,-22.22,;15.85,-24.51,;15.83,-26.05,;17.38,-24.51,;14.5,-25.26,;13.19,-24.48,;11.84,-25.24,;10.52,-24.45,;9.17,-25.2,;10.55,-22.91,;11.88,-22.15,;11.9,-20.61,;13.21,-22.94,;9.22,-22.12,;7.88,-22.87,;6.56,-22.08,;6.58,-20.54,;7.92,-19.79,;8.26,-18.29,;9.79,-18.15,;10.4,-19.56,;9.24,-20.58,)|

BDBM50340660

CCO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(18.93,7.26,;17.6,6.5,;17.59,4.96,;16.25,4.2,;16.24,2.67,;17.57,1.88,;18.91,2.64,;17.56,.34,;18.88,1.12,;18.88,-.43,;16.22,-.42,;14.9,.36,;13.57,-.4,;12.25,.37,;10.91,-.39,;12.25,1.91,;13.58,2.68,;13.58,4.21,;14.91,1.9,;10.93,2.69,;10.93,4.23,;9.59,5.01,;8.26,4.23,;8.25,2.69,;7.1,1.66,;5.77,2.43,;7.73,.25,;9.27,.41,;9.59,1.92,)|

BDBM50340661

CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)|

BDBM50340662

Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OC(C)(C)CO)c2c1F |(21.47,-47.3,;22.8,-48.07,;23.43,-49.48,;24.97,-49.32,;25.29,-47.81,;26.63,-47.04,;26.63,-45.5,;25.29,-44.72,;23.96,-45.5,;23.95,-47.04,;27.95,-47.82,;27.95,-49.35,;26.61,-50.12,;29.27,-50.12,;30.6,-49.37,;31.92,-50.15,;33.26,-49.39,;34.58,-48.61,;34.58,-50.15,;33.28,-47.85,;31.94,-47.06,;31.95,-45.52,;33.29,-44.77,;33.3,-43.23,;31.97,-42.45,;33.29,-41.69,;34.63,-42.47,;35.96,-43.25,;30.61,-47.83,;29.28,-47.05,;29.28,-45.51,)|

BDBM50340663

CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)|

BDBM50340664

CC(C)(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |(33.41,-19.38,;32.08,-20.14,;30.75,-19.36,;32.06,-18.6,;32.07,-21.68,;30.73,-22.44,;30.72,-23.97,;32.06,-24.76,;32.04,-26.3,;33.36,-25.52,;33.36,-27.06,;30.7,-27.06,;29.38,-26.28,;28.05,-27.03,;26.73,-26.26,;25.39,-27.03,;26.73,-24.73,;28.06,-23.96,;28.06,-22.42,;29.39,-24.74,;25.41,-23.95,;25.41,-22.41,;24.07,-21.63,;22.74,-22.41,;22.73,-23.95,;21.58,-24.98,;20.25,-24.21,;22.21,-26.39,;23.75,-26.23,;24.07,-24.72,)|

BDBM50340665

Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OC(C)(C)C)c2c1F |(3.75,-23.11,;5.09,-23.89,;5.72,-25.3,;7.25,-25.14,;7.58,-23.63,;8.91,-22.86,;8.91,-21.31,;7.58,-20.54,;6.25,-21.31,;6.24,-22.85,;10.24,-23.63,;10.23,-25.17,;8.9,-25.94,;11.55,-25.94,;12.88,-25.19,;14.21,-25.96,;15.55,-25.21,;16.87,-24.43,;16.87,-25.97,;15.56,-23.67,;14.23,-22.88,;14.24,-21.34,;15.58,-20.58,;15.58,-19.05,;16.92,-18.29,;14.26,-18.27,;15.57,-17.51,;12.9,-23.64,;11.57,-22.87,;11.57,-21.33,)|

BDBM50345227

C[C@](O)(CS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50345228

C[C@](O)(CS(=O)(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50345229

C[C@](O)(CS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM33070

CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23

BDBM50353033

Oc1ccc(cc1)C1Nc2cccc3cccc(N1)c23

BDBM50353034

COc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23

BDBM50353035

COc1ccc(cc1O)C1Nc2cccc3cccc(N1)c23

BDBM50353036

Oc1ccc(cc1O)C1Nc2cccc3cccc(N1)c23

BDBM50353037

Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(O)=O)c(O)c1 |w:14.16|

BDBM50353536

CCCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353537

CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353538

CC1(C)CN(Cc2cccc(O)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353539

CC1(C)CN(Cc2ccccc2O)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353540

CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353541

CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353542

CCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353543

CC1(C)CN(Cc2noc(n2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353544

CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50353545

CC1(C)CN(Cc2nc3ccccc3s2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353546

CC1(C)CN(Cc2cccc(F)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353547

CC1(C)CN(Cc2nc(no2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353548

CC1(C)CN(Cc2ccncc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353549

COC(=O)c1csc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)n1

BDBM50353550

CC1(C)CNC(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353551

CCOC(=O)c1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1

BDBM50353552

COc1cccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)c1

BDBM50353553

CC1(C)CN(Cc2ccc(F)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353554

CCCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353555

COc1ccccc1CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353556

Cc1nc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cs1

BDBM50353557

CCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353558

CCC(CC)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353559

COC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353560

COCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353561

CC1(C)CN(CCCO)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353562

CCCCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353563

CC1(C)CN(Cc2ccccn2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353564

CC(C)CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353565

CC1(C)CN(Cc2cccnc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F

BDBM50353566

CC1(C)COC(=O)[C@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50353567

CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353568

COCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353569

CSCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353570

COc1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1

BDBM50353571

CCOC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50353572

CCNC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O

BDBM50355216

CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1

BDBM50355239

CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccs1

BDBM50355730

CCN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|

BDBM50355740

CN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|

BDBM50355745

CCCc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|

BDBM50348415

CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1 |r|

BDBM50348401

CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r|

BDBM50355937

CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCCC[C@@H]12)[N+]([O-])=O |r|

BDBM50355938

CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCC[C@@H]12)[N+]([O-])=O |r|

BDBM50355939

CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2NCC[C@@H]12)[N+]([O-])=O |r|

BDBM50355940

CCO[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|

BDBM50355941

CCCN[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|

BDBM50355942

CCCN(CCC)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|

BDBM50355943

CC(C)(CO)[C@@H]1C[C@H](NC=O)c2cc(ccc2N1)[N+]([O-])=O |r|

BDBM50355944

CC(C)(CO)[C@@H]1C[C@H](N)c2cc(ccc2N1)[N+]([O-])=O |r|

BDBM50355945

CC(C)C(=O)N[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|

BDBM50355946

CC(C)NC(=O)N[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|

BDBM50355947

CC(C)N\C([S-])=[NH+]/C1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO

BDBM50355948

CC(C)(CO)[C@@H]1C[C@H](NCc2ccccc2)c2cc(ccc2N1)[N+]([O-])=O |r|

BDBM50355949

CCS[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|

BDBM50355950

CC(C)(CO)[C@@H]1C[C@H](Sc2ccccc2)c2cc(ccc2N1)[N+]([O-])=O |r|

BDBM50355951

CCS(=O)(=O)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|

BDBM50356979

CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(c2)C#N)C1(C)C |r,wU:4.3,wD:8.8,(-1.54,-7.24,;-2.89,-6.5,;-4.21,-7.3,;-2.92,-4.96,;-4.27,-4.22,;-5.81,-4.22,;-6.22,-5.69,;-7.31,-4.6,;-5.81,-2.67,;-7.14,-1.9,;-7.14,-.36,;-8.47,.4,;-8.47,1.94,;-7.13,2.71,;-7.12,4.26,;-7.11,5.79,;-5.79,1.94,;-5.8,.4,;-4.45,2.7,;-3.12,3.47,;-4.27,-2.68,;-3.88,-1.17,;-2.79,-3.06,)|

BDBM50356980

CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:4.3,wD:8.8,(9.36,-7.82,;8.01,-7.08,;6.7,-7.87,;7.98,-5.54,;6.63,-4.79,;5.09,-4.79,;4.68,-6.27,;3.59,-5.18,;5.1,-3.25,;3.77,-2.48,;3.77,-.94,;2.44,-.17,;2.44,1.36,;3.78,2.14,;3.79,3.68,;3.79,5.21,;5.11,1.36,;6.45,2.13,;5.11,-.18,;6.63,-3.25,;7.02,-1.75,;8.11,-3.64,)|

BDBM50356981

CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C)c2)C1(C)C |r,wU:4.3,wD:8.8,(19.82,-7.76,;18.47,-7.01,;17.15,-7.81,;18.44,-5.47,;17.09,-4.73,;15.55,-4.73,;15.14,-6.21,;14.05,-5.12,;15.55,-3.19,;14.22,-2.41,;14.22,-.87,;12.89,-.11,;12.89,1.43,;14.23,2.2,;14.24,3.74,;14.24,5.27,;15.56,1.42,;16.9,2.19,;15.56,-.11,;17.09,-3.19,;17.48,-1.69,;18.57,-3.58,)|

BDBM50356982

CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1(C)C |r,wU:4.3,wD:8.8,(30.13,-7.85,;28.78,-7.11,;27.46,-7.9,;28.75,-5.57,;27.4,-4.82,;25.86,-4.82,;25.45,-6.3,;24.36,-5.21,;25.86,-3.28,;24.53,-2.51,;24.54,-.97,;23.21,-.2,;23.2,1.33,;24.54,2.11,;24.55,3.65,;24.56,5.17,;25.88,1.33,;25.87,-.21,;27.21,2.1,;28.54,1.32,;27.22,3.64,;28.54,2.88,;27.4,-3.28,;27.79,-1.78,;28.88,-3.67,)|

BDBM50356983

CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(cc2Cl)C#N)C1(C)C |r,wU:4.3,wD:8.8,(43.08,-6.9,;41.73,-6.16,;40.41,-6.95,;41.7,-4.62,;40.35,-3.87,;38.81,-3.87,;38.4,-5.35,;37.31,-4.26,;38.82,-2.33,;37.48,-1.56,;37.49,-.02,;38.82,.74,;38.83,2.28,;37.5,3.06,;36.16,2.28,;36.16,.74,;34.83,-.03,;37.51,4.59,;37.51,6.12,;40.35,-2.33,;40.74,-.83,;41.83,-2.72,)|

BDBM50356984

CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C)n2)C1(C)C |r,wU:4.3,wD:8.8,(-3.5,-22.05,;-4.84,-21.31,;-6.16,-22.11,;-4.87,-19.77,;-6.22,-19.03,;-7.76,-19.03,;-8.18,-20.5,;-9.26,-19.41,;-7.76,-17.48,;-9.09,-16.71,;-9.09,-15.17,;-10.42,-14.41,;-10.42,-12.87,;-9.08,-12.1,;-9.07,-10.56,;-9.07,-9.03,;-7.75,-12.87,;-6.41,-12.11,;-7.75,-14.41,;-6.22,-17.49,;-5.83,-15.98,;-4.74,-17.87,)|

BDBM50356985

CC1(C)[C@H](NC(=O)c2cnccn2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:16.18,(2.03,-20.07,;2.44,-18.6,;.94,-18.99,;3.98,-18.6,;5.33,-19.34,;5.36,-20.88,;4.04,-21.68,;6.71,-21.62,;6.73,-23.16,;8.08,-23.91,;9.4,-23.11,;9.36,-21.56,;8.01,-20.83,;3.98,-17.06,;4.37,-15.56,;5.46,-17.45,;2.44,-17.05,;1.11,-16.28,;1.12,-14.74,;-.21,-13.98,;-.21,-12.44,;1.13,-11.67,;1.13,-10.13,;1.14,-8.6,;2.46,-12.44,;3.79,-11.68,;2.45,-13.98,)|

BDBM50356986

CC1(C)[C@H](NC(=O)c2ccn[nH]2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:15.17,(11.11,-20.91,;11.53,-19.43,;10.03,-19.82,;13.07,-19.43,;14.42,-20.17,;14.45,-21.71,;13.13,-22.51,;15.79,-22.46,;15.81,-23.99,;17.28,-24.45,;18.17,-23.2,;17.26,-21.96,;13.07,-17.89,;13.46,-16.39,;14.54,-18.28,;11.53,-17.89,;10.2,-17.11,;10.2,-15.57,;8.87,-14.81,;8.87,-13.27,;10.21,-12.5,;10.22,-10.96,;10.22,-9.43,;11.54,-13.28,;12.88,-12.51,;11.54,-14.81,)|

BDBM50356987

CC1(C)[C@H](NC(=O)c2cn[nH]c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:15.17,(20.6,-21.31,;21.02,-19.83,;19.51,-20.22,;22.56,-19.83,;23.9,-20.58,;23.93,-22.12,;22.62,-22.91,;25.28,-22.86,;25.3,-24.4,;26.77,-24.86,;27.66,-23.6,;26.74,-22.36,;22.56,-18.29,;22.94,-16.79,;24.03,-18.68,;21.02,-18.29,;19.69,-17.52,;19.69,-15.98,;18.36,-15.22,;18.36,-13.68,;19.7,-12.91,;19.71,-11.37,;19.71,-9.84,;21.03,-13.68,;22.37,-12.91,;21.03,-15.22,)|

BDBM50356988

Cn1cc(cn1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:9.9,wD:13.14,(37.34,-24.69,;35.8,-24.71,;34.88,-23.47,;33.42,-23.97,;33.44,-25.5,;34.91,-25.96,;32.07,-23.22,;30.75,-24.02,;32.04,-21.68,;30.69,-20.94,;29.15,-20.94,;28.74,-22.42,;27.65,-21.33,;29.16,-19.4,;27.82,-18.62,;27.83,-17.08,;26.5,-16.32,;26.5,-14.78,;27.84,-14.01,;27.85,-12.47,;27.85,-10.94,;29.17,-14.79,;30.51,-14.02,;29.16,-16.32,;30.69,-19.4,;31.08,-17.9,;32.17,-19.79,)|

BDBM50356989

Cc1cc(nn1C)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:10.10,wD:14.15,(44.07,-26.91,;43.58,-25.45,;42.11,-24.99,;42.09,-23.45,;43.55,-22.96,;44.47,-24.19,;46.01,-24.17,;40.74,-22.71,;39.42,-23.5,;40.71,-21.17,;39.36,-20.42,;37.82,-20.42,;37.41,-21.9,;36.32,-20.81,;37.83,-18.88,;36.49,-18.11,;36.5,-16.57,;35.17,-15.81,;35.17,-14.27,;36.51,-13.5,;36.52,-11.96,;36.52,-10.43,;37.84,-14.27,;39.18,-13.51,;37.83,-15.81,;39.36,-18.88,;39.75,-17.38,;40.84,-19.27,)|

BDBM50356990

Cc1nnc(o1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:9.9,wD:13.14,(2.34,-36.66,;.8,-36.67,;-.09,-37.93,;-1.56,-37.47,;-1.58,-35.94,;-.12,-35.44,;-2.93,-35.19,;-4.25,-35.99,;-2.96,-33.65,;-4.31,-32.91,;-5.85,-32.91,;-6.26,-34.39,;-7.35,-33.3,;-5.85,-31.37,;-7.18,-30.59,;-7.17,-29.05,;-8.5,-28.29,;-8.51,-26.75,;-7.17,-25.98,;-7.16,-24.44,;-7.15,-22.91,;-5.83,-26.75,;-4.5,-25.99,;-5.84,-28.29,;-4.31,-31.37,;-3.92,-29.87,;-2.83,-31.76,)|

BDBM50356991

CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:19.22,(4.89,-35.35,;5.3,-33.87,;3.8,-34.26,;6.84,-33.87,;8.19,-34.61,;8.22,-36.15,;6.91,-36.95,;9.57,-36.9,;9.76,-38.42,;11.28,-38.71,;12.02,-37.36,;13.51,-37.02,;13.97,-35.55,;12.92,-34.42,;11.41,-34.77,;10.97,-36.24,;6.84,-32.33,;7.23,-30.83,;8.32,-32.72,;5.31,-32.33,;3.98,-31.55,;3.98,-30.01,;2.65,-29.25,;2.65,-27.71,;3.99,-26.94,;4,-25.4,;4,-23.87,;5.32,-27.71,;6.66,-26.95,;5.32,-29.25,)|

BDBM50356992

Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:13.14,wD:17.19,(22.86,-40.64,;23.98,-39.59,;25.49,-39.88,;26.24,-38.53,;27.73,-38.19,;28.18,-36.72,;27.13,-35.59,;25.63,-35.94,;25.19,-37.41,;23.79,-38.07,;22.44,-37.32,;21.12,-38.12,;22.41,-35.78,;21.06,-35.04,;19.52,-35.04,;19.11,-36.52,;18.02,-35.43,;19.52,-33.5,;18.19,-32.72,;18.2,-31.18,;16.87,-30.42,;16.87,-28.88,;18.21,-28.11,;18.21,-26.57,;18.22,-25.04,;19.54,-28.89,;20.87,-28.12,;19.53,-30.42,;21.06,-33.5,;21.45,-32,;22.54,-33.89,)|

BDBM50356993

COCCn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:12.12,wD:16.17,(43.88,-41.99,;43.1,-40.67,;41.56,-40.68,;40.78,-39.36,;39.24,-39.37,;38.34,-40.63,;36.87,-40.17,;36.86,-38.63,;38.32,-38.14,;35.51,-37.89,;34.19,-38.69,;35.48,-36.35,;34.13,-35.61,;32.59,-35.61,;32.18,-37.08,;31.09,-36,;32.59,-34.06,;31.26,-33.29,;31.26,-31.75,;29.93,-30.99,;29.93,-29.45,;31.27,-28.68,;31.28,-27.14,;31.28,-25.61,;32.6,-29.45,;33.94,-28.69,;32.6,-30.99,;34.13,-34.07,;34.52,-32.57,;35.61,-34.46,)|

BDBM50356994

CC1(C)[C@H](NC(=O)c2ccn(CCO)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:18.20,(-6.58,-47.2,;-6.17,-45.72,;-7.67,-46.11,;-4.63,-45.72,;-3.28,-46.46,;-3.25,-48,;-4.57,-48.8,;-1.9,-48.75,;-1.88,-50.28,;-.41,-50.74,;.48,-49.48,;2.02,-49.47,;2.8,-50.79,;4.34,-50.78,;-.44,-48.25,;-4.63,-44.18,;-4.24,-42.68,;-3.15,-44.57,;-6.17,-44.18,;-7.5,-43.4,;-7.49,-41.86,;-8.82,-41.1,;-8.82,-39.56,;-7.48,-38.79,;-7.48,-37.25,;-7.47,-35.72,;-6.15,-39.56,;-4.82,-38.8,;-6.16,-41.1,)|

BDBM50356995

CC1(C)[C@H](NC(=O)c2cnn(CCO)c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:18.20,(6.41,-47.96,;6.82,-46.48,;5.32,-46.87,;8.36,-46.48,;9.71,-47.22,;9.74,-48.76,;8.42,-49.56,;11.09,-49.51,;11.11,-51.04,;12.58,-51.5,;13.47,-50.25,;15.01,-50.23,;15.79,-51.56,;17.33,-51.54,;12.55,-49.01,;8.36,-44.94,;8.75,-43.44,;9.84,-45.33,;6.82,-44.94,;5.49,-44.16,;5.5,-42.62,;4.17,-41.86,;4.16,-40.33,;5.5,-39.55,;5.51,-38.01,;5.52,-36.48,;6.84,-40.33,;8.17,-39.56,;6.83,-41.87,)|

BDBM50356996

CC1(C)[C@H](NC(=O)c2ccn(CCC#N)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:19.21,(16.79,-47.6,;17.21,-46.12,;15.7,-46.51,;18.75,-46.12,;20.09,-46.86,;20.12,-48.4,;18.81,-49.2,;21.47,-49.15,;21.49,-50.68,;22.96,-51.14,;23.85,-49.88,;25.39,-49.87,;26.18,-51.19,;27.72,-51.18,;29.25,-51.16,;22.93,-48.65,;18.75,-44.58,;19.13,-43.08,;20.22,-44.97,;17.21,-44.58,;15.88,-43.8,;15.88,-42.26,;14.55,-41.5,;14.55,-39.96,;15.89,-39.19,;15.9,-37.65,;15.9,-36.12,;17.22,-39.96,;18.56,-39.2,;17.22,-41.5,)|

BDBM50356997

CNC(=O)Cn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:13.13,wD:17.18,(4.4,-9.25,;3.62,-7.92,;2.08,-7.94,;1.32,-9.28,;1.3,-6.61,;-.24,-6.63,;-1.14,-7.88,;-2.61,-7.42,;-2.62,-5.89,;-1.16,-5.39,;-3.97,-5.15,;-5.29,-5.94,;-4,-3.61,;-5.35,-2.86,;-6.89,-2.86,;-7.3,-4.34,;-8.39,-3.25,;-6.89,-1.32,;-8.22,-.55,;-8.22,.99,;-9.55,1.76,;-9.55,3.29,;-8.21,4.07,;-8.2,5.61,;-8.2,7.13,;-6.88,3.29,;-5.54,4.06,;-6.88,1.75,;-5.35,-1.32,;-4.96,.18,;-3.87,-1.71,)|

BDBM50356998

CN(C)C(=O)Cn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:14.14,wD:18.19,(20.82,-9.72,;20.04,-8.4,;20.79,-7.05,;18.5,-8.41,;17.74,-9.75,;17.71,-7.09,;16.17,-7.1,;15.28,-8.36,;13.81,-7.9,;13.79,-6.36,;15.26,-5.87,;12.45,-5.62,;11.13,-6.42,;12.42,-4.08,;11.07,-3.34,;9.53,-3.34,;9.12,-4.81,;8.03,-3.73,;9.53,-1.79,;8.2,-1.02,;8.2,.52,;6.87,1.28,;6.87,2.82,;8.21,3.59,;8.22,5.13,;8.22,6.66,;9.54,2.82,;10.88,3.58,;9.54,1.28,;11.07,-1.8,;11.46,-.3,;12.55,-2.19,)|

BDBM50356999

Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N |r,wU:9.9,wD:5.4,(28.73,2.19,;27.4,1.42,;27.39,-.11,;26.05,-.87,;26.05,-2.41,;27.38,-3.19,;27.38,-4.73,;26.97,-6.21,;25.88,-5.12,;28.92,-4.73,;30.27,-5.47,;30.3,-7.01,;28.98,-7.81,;31.65,-7.76,;31.84,-9.28,;33.35,-9.57,;34.09,-8.22,;35.59,-7.88,;36.04,-6.41,;34.99,-5.28,;33.49,-5.63,;33.04,-7.1,;28.92,-3.19,;29.31,-1.69,;30.4,-3.58,;24.72,-.11,;24.72,1.43,;26.06,2.2,;26.07,3.74,;26.08,5.27,)|

BDBM50359004

OC(=O)c1cccc(CSc2ccc(Cl)cc2Cl)c1

BDBM50359005

Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O

BDBM50359006

Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4

BDBM50359007

COC(=O)c1ccc(cc1)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)C(C)=O |r,c:21|

BDBM50359008

CCOC(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@@H]3c2c1)c1ccccc1 |r,c:13|

BDBM50359009

NS(=O)(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(Br)cc1 |r,c:12|

BDBM39612

Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1

BDBM50359011

Cc1cc(\C=C\C(O)=O)c(C)n1-c1ccc2OCOc2c1

BDBM18862

c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O

BDBM18860

N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|

BDBM22372

C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1

BDBM50359653

O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1 |t:13|

BDBM50359640

c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5

BDBM50359641

Fc1ccccc1C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|

BDBM50359642

Fc1cccc(c1)C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|

BDBM50359643

Fc1ccc(cc1)C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|

BDBM50359644

O=C1COc2ccc(cc2N1)C1=Nn2ccnc2SC1c1ccccc1 |t:13|

BDBM50359645

O=C1COc2ccc(cc2N1)C1=Nc2ccccc2SC1c1ccccc1 |t:13|

BDBM50359646

Cc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccccc1

BDBM50359647

Cc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1

BDBM50359648

Cc1ccccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F

BDBM50359649

Cc1cc(F)ccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F

BDBM50359650

Cc1cc(F)ccc1-n1nc(cc1-c1cc(F)c2OCC(=O)Nc2c1)C(F)(F)F

BDBM50359651

Cc1cc(F)ccc1-n1nc(cc1-c1cc(Cl)c2OCC(=O)Nc2c1)C(F)(F)F

BDBM50359652

Cc1cc(cc2NC(=O)COc12)-c1cc(nn1-c1ccc(F)cc1C)C(F)(F)F

BDBM50360426

CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50360427

CCOC(=O)c1c(C)n(C)c(C)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50360428

CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1

BDBM50360429

CCOC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50360430

CCOC(=O)c1c(C)n(CC2CCCCC2)c(C)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50360431

CCOC(=O)c1c(C)n(CCc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50360432

CCOC(=O)c1c(C)n(C(=O)c2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50360433

CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1

BDBM50360434

COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50360435

Cc1c(C(O)=O)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O

BDBM50360436

Cc1c(CO)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O

BDBM50360437

CC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50360438

Cc1cc(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O

BDBM50360439

COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccccc1

BDBM50360440

COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)C#N

BDBM50360441

COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50360442

Cc1c(C#N)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)C#N

BDBM50360443

Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N

BDBM50360444

Cc1c(C#N)c(c(C)n1Cc1ccc(Cl)nc1)-c1ccc(cc1)C#N

BDBM50360445

Cc1c(C#N)c(c(C)n1Cc1cncc(CO)c1)-c1ccc(cc1)C#N

BDBM50360446

Cc1c(C#N)c(c(C)n1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N

BDBM50360447

Cc1c(c(cn1Cc1cnc(Cl)c(CO)c1)C#N)-c1ccc(cc1)C#N

BDBM50360448

Cc1c(C#N)c(cn1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N

BDBM50363349

CC(N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O)c1nnc(o1)-c1cccc(F)c1

BDBM50363350

CC1(C)CN(Cc2nnc(o2)-c2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50363351

Cc1nnc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1 |r|

BDBM50363352

CC1(C)CNC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50363353

CC(=O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|

BDBM50363355

CC1(C)CN(CCO)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50363356

CC(CO)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|

BDBM50363357

CC(C)(CO)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|

BDBM50363358

CC(O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|

BDBM50363359

CC(CO)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|

BDBM50366206

Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(cc1)C#N

BDBM50366207

Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1

BDBM50366208

Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F

BDBM50366209

Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(cc1Cl)C#N

BDBM50366210

Cc1nn(c(C)c1Oc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1

BDBM50366211

Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1

BDBM50366212

Cc1nn(c(C)c1CCc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1

BDBM50366213

Cc1nn(c(C)c1C(O)c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1

BDBM50366214

Cc1nn(c(C)c1Cc1ccccc1C(N)=O)-c1ccc(C#N)c(Cl)c1

BDBM50366215

Cc1nn(c(C)c1Cc1cccc(c1)C(N)=O)-c1ccc(C#N)c(Cl)c1

BDBM50366216

Cc1nn(c(C)c1Cc1ccc(cc1)C(N)=O)-c1ccc(C#N)c(Cl)c1

BDBM50366217

CNC(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1

BDBM50366218

CN(C)C(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1

BDBM50366219

Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NC(C)(C)C)-c1ccc(C#N)c(Cl)c1

BDBM50366220

Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCCO)-c1ccc(C#N)c(Cl)c1

BDBM50366222

Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1

BDBM50366223

Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1

BDBM50366224

Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1

BDBM50366225

CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)nc1

BDBM50366226

Cc1nn(c(C)c1Oc1ccc(NC(=O)C(C)(C)C)cn1)-c1ccc(C#N)c(Cl)c1

BDBM50366227

CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cn1

BDBM50072705

CCCCC1Oc2ccc(C)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|

BDBM50072704

CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|

BDBM50072716

CCCOC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|

BDBM50072714

CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|

BDBM50072701

CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|

BDBM50072709

CC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|

BDBM50072713

CC(C)CCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|

BDBM50072697

CCCCC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|

BDBM50072699

CCCCC1Oc2ccc(OC)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|

BDBM50077100

CC(C)CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077115

C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F

BDBM50403736

CC[C@@H]1[C@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077105

CCC1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077095

C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1CCC(F)(F)F)C(F)(F)F

BDBM50077096

FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@H]4CCCC[C@@H]4c3cc12

BDBM50077113

CCCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50403734

C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2[C@@H]1CCC(F)(F)F)C(F)(F)F

BDBM50403735

CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077102

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077108

CC1(C)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077110

CCC1(CC)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077101

CCC1CCN(C=O)c2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077114

FC(F)(F)c1cc(=O)[nH]c2cc3NCCCc3cc12

BDBM50077094

CCC1CCN(C)c2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F

BDBM50077111

CCC1CCNc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F

BDBM50077112

FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12

BDBM50077107

CCC1CCN(C)c2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077097

CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077109

CC(C)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50077104

FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCCC[C@@H]4c3cc12

BDBM50077099

C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F

BDBM50086537

CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1|

BDBM50086542

CC1(C)Nc2ccc(cc2C(C)(C)C1=O)-c1csc(c1)C#N

BDBM50086544

CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)C#N |t:1|

BDBM50086551

CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N

BDBM50086550

Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N

BDBM50086539

Cc1cc(sc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|

BDBM50066526

CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|

BDBM50366558

CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|

BDBM50086546

CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|

BDBM50098980

CC1(C)N(C\C=C\I)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50129146

CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/Br)c3c12 |t:1|

BDBM50129149

[#6]-[#6]-1=[#6]C([#6])([#6])[#7]-c2ccc3-c4cc(F)ccc4-[#8]\[#6](=[#6]-4/[#16]-[#6]-[#6]-[#6]-[#16]-4)-c3c-12 |t:1|

BDBM50129157

CC\C(C)=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|

BDBM50129152

C[C@H]1CC2[C@@H]3CC[C@](CC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:28|

BDBM50129145

[#6]\[#6](-[#6])=[#6]\[#6]=[#6]-1/[#8]-c2ccc(F)cc2-c2ccc3-[#7]C([#6])([#6])[#6]=[#6](-[#6])-c3c-12 |t:23|

BDBM50129163

CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12 |t:1|

BDBM50129168

CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(cc-34)C#N)c12 |t:1|

BDBM50129165

CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|

BDBM50129166

CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12 |t:1|

BDBM50072702

CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(Cl)cc-34)c12 |t:1|

BDBM50129171

CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Br)cc-34)c12 |t:1|

BDBM50129159

CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(Br)cc-34)c12 |t:1|

BDBM50129167

CC1CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12

BDBM50072715

CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(F)cc-34)c12 |t:1|

BDBM50129173

CC1CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12

BDBM50126111

CC1(C)OC(=S)Nc2ccc(cc12)-c1csc(c1)C#N

BDBM50144153

COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50144155

CCOc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50144169

COc1cccc2OC(c3ccc(F)cc3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50144150

COc1cccc2OC(c3cccs3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50144164

COc1cccc2OC(c3cccc(Cl)c3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50144161

COc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50144149

COc1cccc2OC(c3cccc(F)c3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50144147

COc1cccc2OC(c3ccc(C)cc3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50144173

CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1

BDBM50144159

COc1cccc2OC(c3cccc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12

BDBM50121163

O=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N

BDBM50405304

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)N(C)C3=CC[C@@]21[H] |c:26|

BDBM50421735

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18|

BDBM50421736

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:19|

BDBM50405301

CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50405303

CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50421737

CN1C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O

BDBM50226050

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50226040

[H][C@@]12CC[C@H](C(=O)N(CCCCCCCC)CCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50213061

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50226049

[H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50226046

[H][C@@]12CC[C@H](C(=O)C=[N+]=[N-])[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50226048

[H][C@@]12CC[C@H](C(=O)NCCCCCCCCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50226047

[H][C@@]12CC[C@H](C(=O)NCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50226045

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(CC)C(=O)CC[C@]12C

BDBM50225981

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)\C(CC[C@]12C)=N\O

BDBM50225986

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50216166

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])NC(=O)CC[C@]12C |r|

BDBM50225996

[H][C@@]12CC[C@H](C(N)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50225985

[H][C@@]12CC[C@H](C(=O)NCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50225984

[H][C@@]12CC[C@H](C(=O)NC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50225983

[H][C@@]12CC[C@H](C(=O)NCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025329

[H][C@@]12CC[C@H](C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:20|

BDBM50025333

[H][C@@]12C[C@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025336

[H][C@@]12CC[C@H](C(=O)c3ccc[nH]3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C |r,c:29|

BDBM50025332

[H][C@@]12CC[C@H](C(=O)C(C)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025335

[H][C@@]12CC[C@H](C(=O)CC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025339

[H][C@@]12CC[C@H](C(=O)NC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C |r,t:20|

BDBM50025340

[H][C@@]12CC[C@H](C(N)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:25|

BDBM50025341

[H][C@@]12CC[C@H](C(=O)C(C)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025342

[H][C@@]12CC[C@H](C(=O)Sc3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:32|

BDBM50025344

[H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:26|

BDBM50025345

[H][C@@]12CC[C@H](C(=O)c3ccc[nH]3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025349

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(CC)C(=O)CC[C@]12C

BDBM50025350

[H][C@@]12CC[C@H](C(=O)NCCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025348

[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025347

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025352

[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C

BDBM50025354

[H][C@@]12CC[C@H](C(N)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C[C@H](OC)[C@]12C

BDBM50025351

[H][C@@]12CC[C@H](C(=O)c3ccc[nH]3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:30|

BDBM50025353

[H][C@@]12C[C@@H](C)[C@H](C(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025355

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OC |r|

BDBM50025365

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C(C#N)[C@]12C |r,t:29|

BDBM50025361

[H][C@@]12CC[C@H](C(=O)NCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C=C[C@]12C |r,c:28|

BDBM50025366

[H][C@@]12CC[C@H](C(=O)C(C)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:28|

BDBM50025363

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)CCC[C@]12C

BDBM50025369

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4N(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C(=O)OC |r|

BDBM50025367

[H][C@@]12CC[C@H](C(=O)NCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025360

[H][C@@]12CC[C@H](C(N)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025372

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50025377

[H][C@@]12CC[C@H](C(=O)NCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:33|

BDBM50025378

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50025380

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(N)C(=O)CC[C@]12C |r,t:23|

BDBM50025384

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CCC[C@]12C

BDBM50025373

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(O)C(=O)CC[C@]12C |r,t:23|

BDBM50025381

[H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C=C[C@]12C |c:27|

BDBM50025389

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(=O)CC[C@]12C

BDBM50025375

[H][C@@]12C[C@@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025388

[H][C@@]12CC[C@H](C(C)C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025392

[H][C@@]12CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C |r,c:32|

BDBM50025396

[H][C@@]12CC[C@H](C(=O)NC(C)(C)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025337

[H][C@@]12CC[C@H](C(C)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025387

[H][C@@]12CC[C@H](C(=O)Sc3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C |r,c:31|

BDBM50025395

CCOC(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50025394

[H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:21|

BDBM50025385

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)CC[C@]12C |t:25|

BDBM50025405

C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O |r|

BDBM50025398

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:22|

BDBM50025401

[H][C@@]12CC[C@H](C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025400

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025412

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)N(C)C3CC[C@@]21[H]

BDBM50025411

CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50025404

[H][C@@]12CC[C@H](C(=O)c3ccc[nH]3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025371

[H][C@@]12CC[C@H](C(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025410

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)[C@@H](C[C@]12C)OC

BDBM50367296

CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50025415

[H][C@@]12CC\C(=C/C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025397

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |c:23|

BDBM50025334

[H][C@@]12CC[C@H](NC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025416

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C[C@H](C#N)[C@]12C

BDBM50025418

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:23|

BDBM50025427

[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C

BDBM50025370

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:27|

BDBM50025424

[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC[C@H](C(=O)N(CC)CC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CNC(=O)N2C

BDBM50025425

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(=O)C=C[C@]12C |r,c:22|

BDBM91713

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:8|

BDBM50025417

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C=C[C@]12C |r,c:24|

BDBM50025379

[H][C@@]12CC[C@H](C(=O)NCC(OC)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025429

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C(=O)C[C@]12C

BDBM50025422

[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C

BDBM50025423

[H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C |r,c:30|

BDBM50025433

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C

BDBM50025406

[H][C@@]12CC[C@@H](NC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025434

[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC[C@H](C(=O)N(CC)CC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)N2C

BDBM50334788

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C

BDBM50025442

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025436

[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC[C@H](C(=O)N(CC)CC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)COC(=O)N2C

BDBM50025331

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:24|

BDBM50025430

[H][C@@]12CC[C@H](C(C)C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:28|

BDBM50025438

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:21|

BDBM50025449

[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:29|

BDBM50025338

[H][C@@]12CC[C@H](C(=O)CC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C |r,c:27|

BDBM50025441

[H][C@@]12CC[C@H](C(C)C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C |r,c:27|

BDBM50025444

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025445

[H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C |r,t:25|

BDBM50025399

[H][C@@]12CC[C@H](C(C)CCC([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025443

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C |r,t:17|

BDBM50025368

[H][C@@]12CC[C@H](C(=O)N3CCOCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025451

[H][C@@]12CC[C@H](C(=O)C(C)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C |r,c:27|

BDBM50025419

[H][C@@]12CC[C@H](C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C

BDBM50025448

[H][C@@]12CC[C@H](C(=O)NCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:27|

BDBM50025330

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2N(C)C(=O)CC[C@]12C

BDBM50025359

[H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025447

[H][C@@]12CC[C@H](CC(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025437

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)C=C[C@]12C |r,c:26|

BDBM50025432

[H][C@@]12CC[C@H](C(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025413

[H][C@@]12CC[C@H](C(C)CCC(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025391

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(NC=O)C(=O)CC[C@]12C

BDBM50025456

[H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)C=C[C@]12C |r,c:31,t:25|

BDBM50025439

[H][C@@]12CC[C@H](C(N)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C=C[C@]12C |c:26|

BDBM50025450

[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

BDBM50025454

[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025458

[H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:31|

BDBM50025364

[H][C@@]12CC[C@H](C(C)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|

BDBM50025420

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(C#N)C(=O)CC[C@]12C |r,c:24|

BDBM50025453

[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C

BDBM50025455

[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|

BDBM50025435

[H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2NC(=O)CC[C@]12C |r,t:25|

BDBM50025390

[H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)[C@H](O)C[C@]12C

BDBM50006102

C[C@]12CCC3C(CC[C@H]4Cc5nc(sc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C

BDBM50006103

C[C@]12CCC3C(CC[C@H]4Cc5sc(cc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C

BDBM50006104

C[C@]12CCC3C(CC[C@H]4Cc5oc(nc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C

BDBM50006105

C[C@]12CCC3C(CC[C@H]4Cc5nc(ncc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C

BDBM50006106

C[C@]12CCC3C(CC[C@H]4Cc5oc(cc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C

BDBM50368314

C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(cc5C[C@]34C)S(C)(=O)=O)[C@@H]1CC[C@@]2(O)C#C

BDBM50006108

C[C@]12CCC3C(CC[C@H]4Cc5cc(oc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C

BDBM50034134

CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034139

CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034146

CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034133

CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034137

CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034154

CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034142

CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O

BDBM50034144

CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034138

CN1[C@@H]2CCC3C4CC[C@H](N(C=O)C5CCCCC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O

BDBM50034147

CCN(CC)C(=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034163

CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034143

CCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034153

CC(C)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50034132

CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

BDBM50408093

CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|

BDBM50049486

CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|

BDBM50049509

COc1cc(C[C@H]2C(=C)CCCC2(C)C)c(O)cc1Br

BDBM50049487

COc1cc(CC2C(C)=CC(=C)CC2(C)C)c(O)cc1Br |c:8|

BDBM50049488

COc1cc(C[C@@H]2C(=C)[C@](C)(O)CCC2(C)C)c(O)cc1Br

BDBM50049496

COc1cc(CC2C3(CC3)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br |t:11|

BDBM50049494

COc1cc(CC2C(=C)C=CCC2(C)C)c(O)cc1Br |c:9|

BDBM50049511

COc1cc(C[C@H]2[C@H](C)CCCC2=C)c(O)cc1Br

BDBM50049503

COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:9|

BDBM50049497

COc1cc(C[C@@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br

BDBM50049506

COc1cc(C[C@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br

BDBM50049502

COc1cc(CC2C(=C)CCC2(C)C)c(O)cc1Br

BDBM50049490

COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br |t:9|

BDBM50049508

COc1cc(C[C@@H]2C(=C)C[C@H](C)CC2(C)C)c(O)cc1Br

BDBM50049505

CC1=CC(=C)C(Cc2ccc(c(C)c2)[N+]([O-])=O)C(C)(C)C1 |t:1|

BDBM50049492

COc1cc(\C=C\CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:11|

BDBM50049489

COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br |c:10|

BDBM50049500

CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|

BDBM50049513

COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br

BDBM50049507

COc1cc(C[C@H]2[C@H](C)C[C@@H](C)CC2=C)c(O)cc1Br

BDBM50049495

CC1=CC(=C)C(Cc2ccc3nonc3c2)C(C)(C)C1 |t:1|

BDBM50049493

COc1cc(CC2C(=C)CCCC2(C)C)c(O)cc1Br

BDBM50049512

COc1cc(C[C@@H]2C(=C)CCCC2(C)C)c(O)cc1Br

BDBM50049515

CC(C)C(C)\C=C\C(C)C1CCC2\C(CCCC12C)=C\C=C1\C[C@@H](O)CCC1=C

BDBM50049510

COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11|

BDBM50049501

COc1cc(C[C@@H]2C(=C)C[C@H](CO)CC2(C)C)c(O)cc1Br

BDBM50063094

CC1CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50063124

CN1c2cc3[nH]c(=O)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F |c:16|

BDBM50063125

CCCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50063097

CN1c2cc3n(C)c(=O)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F |c:17|

BDBM50063128

CCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50063111

Cn1c2cc3NC(C)(C)CCc3cc2c(cc1=O)C(F)(F)F

BDBM50063112

CC1(C)Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F

BDBM50063116

CC1CC(C)(C)Nc2c(C)c3n(C)c(=O)cc(c3cc12)C(F)(F)F

BDBM50063119

CC1=CC(C)(C)Nc2c(C)c3n(C)c(=O)cc(c3cc12)C(F)(F)F |t:1|

BDBM50063123

CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(C)c3cc12 |t:1|

BDBM50063108

CC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50063120

C[C@@H]1[C@H](C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50063102

CC1=C(C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |c:1|

BDBM50063101

CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1)C(F)(F)F

BDBM50063100

FC(F)(F)c1cc(=O)[nH]c2cc3NC4(CCCCC4)CCc3cc12

BDBM50063118

Cn1c2cc3N4CCCC4(C)CCc3cc2c(cc1=O)C(F)(F)F

BDBM50063109

CCC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50063113

CC1CC(C)(C)Nc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F

BDBM50063114

CC(C)C1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50063103

CC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F

BDBM50063110

CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1C)C(F)(F)F

BDBM50063117

CCC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F

BDBM50063096

CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F

BDBM50063106

CC12CCCN1c1cc3[nH]c(=O)cc(c3cc1CC2)C(F)(F)F

BDBM50063115

CC1c2cc3c(cc(=O)[nH]c3cc2NC(C)(C)C1(C)C)C(F)(F)F

BDBM50063104

CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |t:1|

BDBM50063095

CCC1(CC)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F

BDBM50063121

CC1=CC(C)(C)Nc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F |t:1|

BDBM50063126

CC1=CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F |t:1|

BDBM50063107

CCn1c2cc3NC(C)(C)C=C(C)c3cc2c(cc1=O)C(F)(F)F |t:10|

BDBM50063105

C[C@H]1[C@H](C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50073060

C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9|

BDBM50076305

C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12

BDBM50076308

C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(F)c4)c3c12

BDBM50076306

C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(F)c4)c3c12

BDBM50076296

C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(c4)C(F)(F)F)c3c12

BDBM50076298

C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccccc4)c3c12

BDBM50076297

C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12

BDBM50076300

CC1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12

BDBM50076311

CC1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12

BDBM50076302

C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(c4)C(F)(F)F)c3c12

BDBM50076309

C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccccc4)c3c12

BDBM50094566

O=[#6]-1-[#6]-[#6@H]-2-[#6]-[#6@@H]-1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1/[#6]-[#6]-[#6](=O)-[#6]-[#6]-1

BDBM50094567

[#8][C@@]1([#6]-[#6@H]-2-[#6]-[#6@@H]1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1/[#6]-[#6]-[#6](=O)-[#6]-[#6]-1)C(F)(F)F

BDBM50094568

[#8]-[#6@H]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1

BDBM50094575

[#8]-[#6@@H]-1-[#6]-[#6@H]-2-[#6]-[#6@@H]-1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1/[#6]-[#6]-[#6](=O)-[#6]-[#6]-1

BDBM50094571

[#6][C@@]1([#8])[#6]-[#6@H]-2-[#6]-[#6@@H]1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1/[#6]-[#6]-[#6](=O)-[#6]-[#6]-1

BDBM50094570

[#6][C@]1([#8])[#6]-[#6@@H]-2-[#6]-[#6@H]1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1

BDBM50094572

O=[#6]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1

BDBM50094574

[#8][C@]1([#6]-[#6@@H]-2-[#6]-[#6@H]1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1)C(F)(F)F

BDBM50094577

[#8][C@@]1([#6]-[#6@H]-2-[#6]-[#6@@H]1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1)C#C

BDBM50094576

[#8]-[#6@H]-1-[#6]-[#6@H]-2-[#6]-[#6@@H]-1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1/[#6]-[#6]-[#6](=O)-[#6]-[#6]-1

BDBM50094578

[#8]-[#6@@H]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1

BDBM50094579

[#8][C@]1([#6]-[#6@@H]-2-[#6]-[#6@H]1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1)[#6]=[#6]

BDBM50094580

[#8][C@]1([#6]-[#6@@H]-2-[#6]-[#6@H]1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1)C#C

BDBM50094581

[#8][C@@]1([#6]-[#6@H]-2-[#6]-[#6@@H]1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1/[#6]-[#6]-[#6](=O)-[#6]-[#6]-1)[#6]=[#6]

BDBM50113776

COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:9|

BDBM50113779

Oc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:8|

BDBM50113780

CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1

BDBM50113781

Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:8|

BDBM50113782

CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|

BDBM50113778

COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|

BDBM50113783

Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1

BDBM50113777

Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1

BDBM50118688

CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N

BDBM50118691

CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1

BDBM50118694

CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N

BDBM50056900

c1ccc(c(c1)C(=O)N)O

BDBM50135910

CC1(C)N(CCOCCOCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50135911

CC1(C)N(CCOCCOCCOCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50135914

CC1(C)N(CC#CCOCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50409765

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5C[C@H](NCNC(=O)c6cc(COCC#CCN7C(=O)N(C(=O)C7(C)C)c7ccc(C#N)c(c7)C(F)(F)F)ccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

BDBM50153634

CCCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1

BDBM50153635

CCCCN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1

BDBM50153636

CC1(C)N(CCCc2ccccc2)C(=O)N(C1=O)c1ccc(C#N)c(I)c1

BDBM50153637

CC1(C)N(CC=C)C(=O)N(C1=O)c1ccc(C#N)c(I)c1

BDBM50153638

CC1(C)N(Cc2ccccc2)C(=S)N(C1=O)c1ccc(C#N)c(I)c1

BDBM50153640

COCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1

BDBM50153639

CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(I)c1

BDBM50153641

CN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1

BDBM50153642

CC1(C)NC(=O)N(C1=O)c1ccc(C#N)c(I)c1

BDBM50153643

CN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1

BDBM50153644

CC1(C)N(CC#N)C(=O)N(C1=O)c1ccc(C#N)c(I)c1

BDBM50151068

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:60,67|

BDBM50151069

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|

BDBM50151072

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:44,51|

BDBM50151061

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:59,66|

BDBM50151063

C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|

BDBM50151059

C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:65,72|

BDBM50151074

CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|

BDBM50151060

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|

BDBM50151065

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)S(=O)(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:64,71|

BDBM50151070

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|

BDBM50151071

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|

BDBM50151067

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|

BDBM50151066

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|

BDBM50151073

C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43|

BDBM50410188

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|

BDBM50410187

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|

BDBM50154003

CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:25,32|

BDBM50154005

CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:21,28|

BDBM50154007

CC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:15,22|

BDBM50154006

CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:18,25|

BDBM50154004

CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:23,30|

BDBM50154009

CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@]12C)C(C)=O |t:9,12|

BDBM50422635

C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O |c:4,10|

BDBM21725

[H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |w:6.6,t:20|

BDBM50226465

CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |w:1.0,t:10|

BDBM50178316

CC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:9|

BDBM50178315

CC#C[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|

BDBM50178326

CO\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|

BDBM50178319

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Cl)C1CC[C@@H]2O |t:7|

BDBM50178328

C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C=C)C3CC[C@]12C |t:8|

BDBM50178323

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O |t:7|

BDBM50178318

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/F)C1CC[C@@H]2O |t:7|

BDBM50178327

CCC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|

BDBM50178330

C\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|

BDBM50178331

CC\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|

BDBM50178325

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Br)C1CC[C@@H]2O |t:7|

BDBM50178334

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\F)C1CC[C@@H]2O |t:7|

BDBM50178332

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@@H]2O |t:7|

BDBM50178321

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Br)C1CC[C@@H]2O |t:7|

BDBM50178333

C\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|

BDBM50178322

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=O)C1CC[C@@H]2O |t:7|

BDBM50178314

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@H]2O |t:7|

BDBM50178324

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC#C)C1CC[C@@H]2O |t:7|

BDBM50178336

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=C)C1CC[C@@H]2O |t:7|

BDBM50178335

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Cl)C1CC[C@@H]2O |t:7|

BDBM50178317

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C#C)C1CC[C@@H]2O |t:7|

BDBM50178338

CO\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|

BDBM50178320

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CO)C1CC[C@@H]2O |t:7|

BDBM50178337

C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=C)C1CC[C@@H]2O |t:8|

BDBM17292

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

BDBM50178329

C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@]2(O)C#C |t:7|

BDBM50185189

Cn1c-2c(CCSc3ccccc-23)c2ccc(O)cc12

BDBM50185190

Cn1c2-c3ccsc3CCc2c2cc(O)ccc12

BDBM50185191

Cn1c-2c(CSc3ccccc-23)c2ccc(O)cc12

BDBM50185192

CCn1c-2c(CSc3ccccc-23)c2cc(O)ccc12

BDBM50185193

Cn1c-2c(CSc3ccccc-23)c2cc(Cl)ccc12

BDBM50185194

Cn1c-2c(CSc3ncccc-23)c2cc(O)ccc12

BDBM50185195

COc1ccc2-c3c(CSc2c1)c1cc(O)ccc1n3C

BDBM50185198

Cn1c-2c(c3ccc(O)cc13)C(C)(C)Sc1cc(O)ccc-21

BDBM50185200

Cn1c-2c(CSc3cc(F)ccc-23)c2cccc(O)c12

BDBM50185199

Cn1c-2c(CCc3cnccc-23)c2cc(O)ccc12

BDBM50185201

CC(=O)Oc1ccc2n(C)c-3c(CSc4ccccc-34)c2c1

BDBM50185202

Cn1ccc-2c1CCc1c-2n(C)c2ccc(O)cc12

BDBM50185205

Cn1c-2c(CSc3ccccc-23)c2cc(F)ccc12

BDBM50185203

Oc1ccc2[nH]c-3c(CSc4ccccc-34)c2c1

BDBM50185208

Cn1c-2c(CSc3cc(Br)ccc-23)c2cc(O)ccc12

BDBM50185206

Cn1c-2c(CCc3ccccc-23)c2ccc(O)cc12

BDBM50185204

Cn1c-2c(CSc3cc(ccc-23)C(F)(F)F)c2cc(F)ccc12

BDBM50185210

Cn1c-2c(CSc3ccccc-23)c2cc(O)ccc12

BDBM50185211

Cn1c-2c(CSc3cc(O)ccc-23)c2cc(O)ccc12

BDBM50185212

CC(=O)n1c-2c(CSc3ccccc-23)c2cc(O)ccc12

BDBM50185207

Cn1c-2c(CSc3ccc(F)cc-23)c2cc(O)ccc12

BDBM50185209

Cn1c-2c(CSc3cc(F)ccc-23)c2cc(O)ccc12

BDBM50185213

Cn1c-2c(CCCc3ccccc-23)c2ccc(O)cc12

BDBM50194328

CC(O)(CSc1ccc(N)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194326

CC(O)(COC(=O)c1ccccc1Cl)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194327

CC(O)(COC(=O)c1ccccc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F

BDBM50194330

CC(O)(CSc1ccccc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194329

CC(C)(C)c1ccc(cc1)C(=O)OCC(C)(O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194331

CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(NC(=O)C(F)(F)F)c(cc2[nH]1)C(F)(F)F

BDBM50194333

Cc1ccc(cc1)C(=O)OCC(C)(O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194332

CC(O)(CSc1ccc(F)cc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F

BDBM50194334

COc1ccc(cc1)C(=O)OCC(C)(O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194335

CC(O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194336

CC(O)(CS(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194337

CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194338

CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(N)c(cc2[nH]1)C(F)(F)F

BDBM50194339

CC(O)(COC(=O)c1ccc(cc1)-c1ccccc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194341

CC(O)(CSc1ccccc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F

BDBM50194340

CC(O)(COC(=O)c1cccc(Cl)c1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194343

CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F

BDBM50194344

CC(O)(COC(=O)c1ccc(Cl)cc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194345

CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194346

CC(O)(COC(=O)c1ccccc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194348

CC(O)(COC(=O)c1ccc(cc1)[N+]([O-])=O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194347

CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F

BDBM50194350

CC(O)(CSc1ccccc1Cl)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194349

CN(C)c1ccc(cc1)C(=O)OCC(C)(O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O

BDBM50194352

CC(O)(CSc1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194351

CC(O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194353

CC(O)(COC(=O)c1ccccc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F

BDBM50194354

CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1

BDBM50194355

CC(O)(COC(=O)c1ccc(F)cc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F

BDBM50197358

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C

BDBM50197359

CCCCN(C)C(=O)CCCCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197360

CCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197361

CCCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197362

CCCCCCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197363

CN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197364

CCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197366

CN(C)C(=O)CCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197368

CCCCN(C)C(=O)CCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197367

CCCCCCN(CCCCCC)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197369

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C

BDBM50197370

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCOCC1)C[C@H]1CC(=O)CC[C@]31C

BDBM50197371

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C

BDBM50197372

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCC1)C[C@H]1CC(=O)CC[C@]31C

BDBM50197373

CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197375

CCCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197374

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C

BDBM50197376

CCN(CC)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197377

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C

BDBM50197380

CC(C)N(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197381

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(N)=O)C[C@H]1CC(=O)CC[C@]31C

BDBM50197378

CCCCN(C)C(=O)CCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197379

CNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197384

CN(Cc1ccccc1)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197385

CCCCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197383

CCN(CC)C(=O)CCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197382

CCCCN(C)C(=O)CCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197386

CCCCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

BDBM50197387

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCCC1)C[C@H]1CC(=O)CC[C@]31C

BDBM50211103

C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O

BDBM50211105

C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|

BDBM50211106

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|

BDBM50211108

C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7|

BDBM50211104

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CCO5)[C@@H]1CC[C@@H]2O |t:7|

BDBM50211107

C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7|

BDBM50211109

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CC(=O)O5)[C@@H]1CC[C@@H]2O |t:7|

BDBM50211100

CC[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |c:9|

BDBM50211110

C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |t:7|

BDBM50211099

C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7|

BDBM50211112

C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8|

BDBM50211102

C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |c:11,t:7|

BDBM50211111

C\C=C/[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |c:10|

BDBM50211101

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8|

BDBM50223226

CC1=CC2=CC[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|

BDBM50223231

C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C=C)c3ccccc3)[C@@H]1CC[C@@H]2O |c:9,t:7|

BDBM50223233

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8|

BDBM50223236

C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=C)[C@H]3CC[C@]12C |t:8|

BDBM50223229

CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 |t:1,3|

BDBM50223232

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|

BDBM50223235

CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|

BDBM50223228

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@]2(O)C#C |t:7|

BDBM50223234

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:8|

BDBM50223238

CC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|

BDBM50223227

CCC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:2,4|

BDBM50223237

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:7|

BDBM50223230

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|

BDBM50372078

CC12C[C@@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:8.14,THB:12:14:7:2.3,9:8:7:2.3|

BDBM50372079

CC12C[C@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:14.8,THB:9:8:7:3.2,12:14:7:3.2|

BDBM50372080

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc([N+]([O-])=O)c2c(Br)cccc12 |THB:11:13:6:2.3,8:7:6:2.3,(31.1,-48.31,;29.77,-49.09,;30.66,-50.4,;29.75,-51.15,;28.88,-50.05,;28.17,-51.42,;30.11,-47.72,;27.39,-50.08,;26.35,-49.32,;25.12,-49.71,;26.75,-48.09,;28.05,-48.09,;28.69,-46.97,;28.44,-49.33,;25.41,-47.32,;25.4,-45.77,;24.06,-44.99,;22.74,-45.77,;21.39,-45.01,;21.39,-43.46,;20.06,-45.78,;22.74,-47.32,;21.41,-48.09,;20.07,-47.32,;21.41,-49.64,;22.75,-50.4,;24.08,-49.63,;24.07,-48.09,)|

BDBM50372081

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)n2nccc12 |THB:11:13:6:2.3,8:7:6:2.3,(29.8,-48.84,;28.47,-49.62,;29.36,-50.93,;28.45,-51.68,;27.58,-50.57,;26.88,-51.94,;28.81,-48.25,;26.1,-50.61,;25.06,-49.84,;23.83,-50.24,;25.46,-48.62,;26.76,-48.62,;27.39,-47.5,;27.15,-49.85,;24.13,-47.85,;22.79,-48.62,;21.45,-47.85,;21.45,-46.31,;20.12,-45.55,;18.78,-44.79,;22.77,-45.53,;23.1,-44.01,;24.64,-43.86,;25.27,-45.27,;24.11,-46.3,)|

BDBM50372082

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c2nsnc12 |THB:11:13:6:2.3,8:7:6:2.3,(28.74,-48.8,;27.41,-49.58,;28.3,-50.89,;27.39,-51.64,;26.52,-50.54,;25.81,-51.91,;27.75,-48.2,;25.03,-50.57,;23.98,-49.8,;22.75,-50.2,;24.39,-48.57,;25.69,-48.58,;26.33,-47.45,;26.08,-49.81,;23.05,-47.8,;21.7,-48.58,;20.36,-47.8,;20.37,-46.25,;19.03,-45.49,;17.68,-44.73,;21.69,-45.47,;22.02,-43.95,;23.56,-43.79,;24.19,-45.21,;23.04,-46.25,)|

BDBM50372083

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1c(N)ccc2nccn12 |THB:11:13:6:2.3,8:7:6:2.3,(28.01,-48.56,;26.67,-49.34,;27.57,-50.65,;26.65,-51.4,;25.78,-50.29,;25.08,-51.67,;27.02,-47.96,;24.29,-50.33,;23.24,-49.56,;22.24,-49.9,;23.65,-48.33,;24.95,-48.33,;25.59,-47.2,;25.35,-49.57,;22.31,-47.56,;20.96,-48.33,;20.96,-49.88,;19.62,-47.56,;19.62,-46.01,;20.95,-45.22,;21.27,-43.7,;22.82,-43.54,;23.45,-44.96,;22.29,-46,)|

BDBM50372084

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1c(N)ccc2ncsc12 |THB:11:13:6:2.3,8:7:6:2.3,(43.68,-48.16,;42.36,-48.94,;43.25,-50.24,;42.34,-50.99,;41.47,-49.89,;40.77,-51.26,;42.7,-47.56,;39.99,-49.92,;38.94,-49.16,;38.06,-49.55,;39.35,-47.93,;40.64,-47.94,;41.28,-46.81,;41.04,-49.17,;38.01,-47.17,;36.67,-47.94,;36.67,-49.48,;35.34,-47.17,;35.34,-45.62,;36.66,-44.84,;36.98,-43.33,;38.52,-43.17,;39.15,-44.59,;38,-45.62,)|

BDBM50372085

COc1cc(ccc1-c1cnco1)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:14:16:26:23.22,18:17:26:23.22|

BDBM50372086

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cnc(C#N)c(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3|

BDBM50372087

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |THB:11:13:6:2.3,8:7:6:2.3|

BDBM50372088

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cc(Cl)cc(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3|

BDBM50372089

CSc1cc(ccc1C#N)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:11:13:23:20.19,15:14:23:20.19|

BDBM50372090

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |THB:11:13:6:2.3,8:7:6:2.3|

BDBM50372091

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |THB:11:13:6:2.3,8:7:6:2.3|

BDBM50372092

CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cccc(c1)C(F)(F)F |THB:11:13:6:2.3,8:7:6:2.3|

BDBM50372093

CC12CCC(O1)c1c(O)n(c(O)c21)-c1cccc(c1)C(F)(F)F |THB:10:12:5:2.3,7:6:5:2.3|

BDBM50372094

Oc1c2C3CCC(O3)c2c(O)n1-c1cccc(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4|

BDBM50372095

Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(C#N)c(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4|

BDBM50372096

Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4|

BDBM50372097

Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(c1)[N+]([O-])=O |THB:9:8:7:5.4,1:2:7:5.4|

BDBM50372098

Cc1cc(ccc1Cl)-n1c(O)c2C3CCC(O3)c2c1O |THB:18:17:16:14.13,9:11:16:14.13|

BDBM50372099

Cc1ccc(cc1Cl)-n1c(O)c2C3CCC(O3)c2c1O |THB:18:17:16:14.13,9:11:16:14.13|

BDBM50372100

Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |THB:9:8:7:5.4,1:2:7:5.4|

BDBM50372101

Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(I)c(Cl)c1 |THB:9:8:7:5.4,1:2:7:5.4|

BDBM50372102

Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Br)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(-5.34,-18.05,;-4.1,-17.65,;-3.05,-18.42,;-1.56,-18.38,;-.69,-19.49,;.23,-18.74,;-.67,-17.43,;-.32,-16.04,;-2,-17.66,;-2.4,-16.42,;-1.75,-15.29,;-3.7,-16.42,;-5.04,-15.65,;-6.39,-16.42,;-7.73,-15.65,;-7.73,-14.09,;-9.07,-13.32,;-6.39,-13.32,;-6.39,-11.78,;-5.07,-11.01,;-3.72,-11.78,;-3.72,-13.32,;-5.05,-14.09,)|

BDBM50372103

Oc1c2C3CCC(O3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(7.88,-13.23,;8.78,-12.29,;10.06,-12.46,;11.36,-11.72,;12.65,-12.28,;13.1,-11.18,;11.68,-10.45,;11.33,-9.07,;10.63,-11.29,;9.69,-10.39,;9.71,-9.09,;8.54,-11.01,;6.99,-10.97,;6.18,-12.3,;4.63,-12.26,;3.89,-10.89,;2.34,-10.85,;1.6,-9.49,;1.53,-12.17,;4.7,-9.57,;3.96,-8.22,;4.76,-6.91,;6.31,-6.94,;7.04,-8.3,;6.24,-9.61,)|

BDBM50372104

Oc1c2C3CCC(C3)n2c(=O)n1-c1cccc(c1)C(F)(F)F |TLB:9:8:5.4:7,THB:1:2:5.4:7|

BDBM50373224

Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12

BDBM50373225

FC(F)(F)c1cc(=O)[nH]c2ccc-3c(OCc4ccccc-34)c12

BDBM50373226

COc1cccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12

BDBM50373227

Oc1cccc2c1c1ccc3[nH]c(=O)cc(c3c1oc2=O)C(F)(F)F

BDBM50373228

Oc1cccc2OCc3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)-c12

BDBM50373229

COc1cccc2OCc3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)-c12

BDBM50373230

COC1Oc2cccc(OC)c2-c2ccc3[nH]c(=O)cc(C)c3c12 |w:2.1|

BDBM50373231

COc1c(O)ccc2OCc3c(ccc4[nH]c(=O)cc(C)c34)-c12

BDBM50373232

Cc1cc(=O)[nH]c2ccc-3c(COc4cccc(CO)c-34)c12

BDBM50373233

COc1cccc2OCc3c(ccc4[nH]c(=O)cc(C)c34)-c12

BDBM50373234

CCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c2c1OC

BDBM50373235

COc1c(ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12)C(=O)OC(F)(F)F

BDBM50373236

Cc1cc(=O)[nH]c2ccc3c4c(cccc4oc(=O)c3c12)C(=O)OC(C)(C)C

BDBM50373237

COc1cccc2c1c1ccc3[nH]c(=O)cc(c3c1oc2=O)C(F)(F)F

BDBM50373238

COc1cccc2OC(O)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8|

BDBM50373239

COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12

BDBM50373240

COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12

BDBM50373241

COc1cccc2COc3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)-c12

BDBM50373242

COc1cccc2OC(CC=C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8|

BDBM50373243

COc1cccc2OC(C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8|

BDBM50373244

COc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c2c1

BDBM50375423

COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|

BDBM50375827

Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N

BDBM82475

CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1

BDBM50376214

FC(F)(F)c1ccc2Sc3ccccc3N(CC(=O)c3cccc4ccccc34)c2c1

BDBM78433

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

BDBM50346422

OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1

BDBM50376852

COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|

BDBM50377349

COc1ccc2cc[nH]c2c1-c1cc(C)c2NC(C)(C)CC(C)c2c1Cl |w:21.23,(12.35,-42.62,;12.35,-44.16,;11.02,-44.93,;9.69,-44.17,;8.36,-44.94,;8.37,-46.49,;7.24,-47.52,;7.87,-48.91,;9.39,-48.74,;9.7,-47.25,;11.03,-46.48,;12.36,-47.25,;12.36,-48.8,;13.69,-49.57,;13.69,-51.11,;15.02,-48.8,;16.36,-49.58,;17.71,-48.8,;18.1,-50.28,;19.19,-48.4,;17.71,-47.25,;16.37,-46.46,;16.37,-44.92,;15.03,-47.24,;13.68,-46.48,;13.68,-44.94,)|

BDBM50377338

CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(F)c(F)c2cc[nH]c12 |w:1.0|

BDBM50377350

CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1ccc(F)c2cc[nH]c12 |w:1.0|

BDBM50377409

OC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377410

FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F

BDBM50377412

Cc1ccc(cc1)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377413

Cc1cccc(c1)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377414

FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1

BDBM50377415

CSCC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377416

FC(F)(F)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377417

FC(F)C1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:3.2|

BDBM50377418

FC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377419

FC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377420

FC(F)(F)CN1C(CC#N)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |w:6.6|

BDBM50377421

CSCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:3.2|

BDBM50377422

CCCOCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:5.4|

BDBM50377423

CCOCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:4.3|

BDBM50377424

COC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377425

COC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377426

OC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377427

Cc1cccc(c1)[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377428

FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1

BDBM50377429

Cc1ccc(cc1)[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F

BDBM50377430

FC(F)(F)CN1[C@H](Cc2ccccc2)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F

BDBM50270631

Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N

BDBM50270630

CCC1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccco1

BDBM50270575

CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N

BDBM50264310

Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N

BDBM50264311

Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N

BDBM50264351

Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N

BDBM50264352

Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N

BDBM50249193

C[C@]1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.20,TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(7.07,-47.06,;8.41,-47.83,;8.92,-48.6,;8.93,-50.8,;7.06,-51.32,;5.71,-52.09,;4.38,-51.32,;4.38,-49.77,;5.71,-49,;7.02,-49.92,;8.41,-49.25,;9.95,-50.15,;11.22,-49.41,;12.5,-50.14,;12.51,-51.63,;11.23,-52.37,;9.95,-51.63,;9.17,-46.49,;8.38,-45.16,;10.71,-46.47,;11.47,-45.13,;13.01,-44.95,;13.31,-43.44,;11.97,-42.68,;10.83,-43.72,)|

BDBM50249107

Cc1cnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)s1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(10.12,-9.32,;10.3,-10.85,;11.64,-11.6,;11.34,-13.12,;9.8,-13.3,;9.05,-14.64,;7.5,-14.66,;6.72,-13.33,;6.75,-16,;5.41,-15.22,;7.26,-16.77,;7.26,-18.96,;5.4,-19.48,;4.05,-20.25,;2.72,-19.48,;2.72,-17.93,;4.05,-17.16,;5.36,-18.08,;6.75,-17.41,;8.28,-18.31,;9.55,-17.57,;10.83,-18.3,;10.84,-19.79,;9.56,-20.53,;8.28,-19.79,;9.17,-11.89,)|

BDBM50249196

C[C@]1(CC2(C#N)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.22,TLB:0:1:6.11:13.18,10:11:2.1:13.18,14:13:6.11:2.1,THB:19:1:6.11:13.18,(17.34,-30.79,;18.69,-31.57,;19.19,-32.33,;19.2,-34.53,;19.19,-36.06,;19.17,-37.6,;17.33,-35.05,;15.99,-35.82,;14.65,-35.05,;14.65,-33.5,;15.98,-32.73,;17.3,-33.65,;18.69,-32.98,;20.22,-33.88,;21.5,-33.14,;22.78,-33.87,;22.78,-35.36,;21.5,-36.1,;20.22,-35.36,;19.44,-30.22,;18.66,-28.9,;20.99,-30.21,;21.74,-28.86,;23.28,-28.68,;23.59,-27.17,;22.24,-26.41,;21.11,-27.46,)|

BDBM50249150

CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(17.67,-16.57,;19.01,-17.35,;19.52,-18.11,;19.53,-20.31,;19.51,-21.84,;17.66,-20.83,;16.31,-21.6,;14.98,-20.83,;14.98,-19.28,;16.31,-18.51,;17.62,-19.43,;19.01,-18.76,;20.55,-19.66,;21.82,-18.92,;23.1,-19.65,;23.11,-21.14,;21.82,-21.88,;20.54,-21.14,;19.77,-16,;18.98,-14.68,;21.31,-15.99,;22.07,-14.64,;23.61,-14.46,;23.91,-12.95,;22.57,-12.19,;21.43,-13.24,)|

BDBM50249195

CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nncs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(4.76,-30.1,;6.1,-30.88,;6.61,-31.65,;6.62,-33.85,;6.6,-35.38,;4.75,-34.37,;3.4,-35.14,;2.06,-34.37,;2.07,-32.82,;3.4,-32.04,;4.71,-32.97,;6.1,-32.3,;7.64,-33.2,;8.92,-32.46,;10.2,-33.19,;10.2,-34.68,;8.92,-35.42,;7.64,-34.68,;6.86,-29.54,;6.07,-28.21,;8.41,-29.52,;9.16,-28.17,;10.71,-27.99,;11.01,-26.48,;9.66,-25.72,;8.53,-26.77,)|

BDBM50303824

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:7|

BDBM19202

[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|

BDBM19201

[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccc(F)cc1 |r,t:5|

BDBM50303823

CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|

BDBM50303822

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)C(F)(F)F |r,t:7|

BDBM50303821

C[C@@](O)(C1CCOCC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|

BDBM50303820

C[C@@](O)(C1CCCCC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|

BDBM50303819

C[C@@](O)(C1CC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|

BDBM50303818

C[C@@](O)(Cc1ccc(F)cc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|

BDBM50303817

C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|

BDBM50303816

CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|

BDBM50303815

C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10|

BDBM50303814

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1nccs1 |r,t:7|

BDBM50303813

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7|

BDBM50303812

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)s1 |r,t:7|

BDBM50303811

Cc1ccc(s1)[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|

BDBM50303810

Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|

BDBM50303809

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccncc1 |r,t:7|

BDBM50303808

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccnc1 |r,t:7|

BDBM50303807

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccccn1 |r,t:7|

BDBM50303806

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:7|

BDBM50303831

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccc(c1)C#N |r,t:7|

BDBM50303830

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)cc1 |r,t:7|

BDBM50303829

Cc1cccc(c1)[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:15|

BDBM50303828

Cc1ccccc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:15|

BDBM50303827

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccccc1 |r,t:7|

BDBM50303826

C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(F)cc1 |r,t:7|

BDBM50303825

CO[C@@](C)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:8|

BDBM19206

[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CC=C |r,t:5|

BDBM50312005

C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)C(=O)CC[C@]21C |r|

BDBM50312006

C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)[C@H](O)CC[C@]21C |r|

BDBM50317651

CC1(C)N(CCCC(O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317652

CC1(C)N(CCCC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317653

CC1(C)N(CCCNC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317655

CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317656

CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317658

CC1(C)N(CCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317659

CC1(C)N(CCCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317660

Cc1cc(ccc1C#N)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O

BDBM50317654

CC1(C)N(CCCNS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317657

CN(C)S(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317661

COc1cc(ccc1C#N)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O

BDBM50317663

Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O

BDBM50317664

CN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317665

CC1(C)N(CCCc2nnn[nH]2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317666

CC1(C)N(CCCS(O)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50317667

CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(cc1)C#N

BDBM50317668

Cc1cc(C#N)c(cc1N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O)C(F)(F)F

BDBM50321219

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2ccco2)cc1

BDBM50321220

Cc1ccc(cc1)C(=O)C[C@@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r|

BDBM50321221

Cc1ccc(cc1)C(=O)C[C@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r|

BDBM50321176

Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1

BDBM50321201

Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccsc1

BDBM50321202

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C#N)c2ccsc2)cc1

BDBM50321203

Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1

BDBM50321204

COc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccccc2)cc1

BDBM50321205

COc1cc(cc(OC)c1OC)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O

BDBM50321206

COc1cc(cc(OC)c1OC)C(CC(=O)c1cccc(C)c1)Nc1ccc(cc1)[N+]([O-])=O

BDBM50321207

COc1cc(cc(OC)c1OC)C(CC(=O)c1cccc(F)c1)Nc1ccc(cc1)[N+]([O-])=O

BDBM50321208

Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1

BDBM50321209

[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2cccc(F)c2)cc1

BDBM50321177

[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2cccc(F)c2)cc1

BDBM50321210

[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Br)c2)c2cccc(F)c2)cc1

BDBM50321183

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)c2cccc(F)c2)cc1

BDBM50321178

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)c2cccc(F)c2)cc1

BDBM50321184

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1

BDBM50321185

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2cccc(F)c2)cc1

BDBM50321186

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)c2cccc(F)c2)cc1

BDBM50321187

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C2CCCCC2)c2cccc(F)c2)cc1

BDBM50321188

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)N2CCOCC2)c2cccc(F)c2)cc1

BDBM50321189

[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2ccc(F)cc2)cc1

BDBM50321190

[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2ccc(cc2)C(F)(F)F)cc1

BDBM50321191

[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2ccc(cc2)C(F)(F)F)cc1

BDBM50321192

Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F

BDBM50321193

[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(c2)C#N)c2ccc(cc2)C(F)(F)F)cc1

BDBM50321179

COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F

BDBM50321180

COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F

BDBM50321194

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2ccc(cc2)C(F)(F)F)cc1

BDBM50321181

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1

BDBM50321195

Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1

BDBM50321182

COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1

BDBM50321196

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)C2CCCCC2)cc1

BDBM50321197

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1

BDBM50321198

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)C2CCCCC2)cc1

BDBM50321199

[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)C2CCCCC2)cc1

BDBM50321200

COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1

BDBM50321211

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)c(Cl)c2)C2CCCCC2)cc1

BDBM50321212

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)C2CCCCC2)cc1

BDBM50321213

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)C2CCCCC2)cc1

BDBM50321214

[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C2CCCCC2)C2CCCCC2)cc1

BDBM50321215

Cc1ccc(cc1)C(=O)CC(Nc1cccc(c1)[N+]([O-])=O)c1cccc(F)c1

BDBM50321216

Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)C(F)(F)F)c1cccc(F)c1

BDBM50321217

Cc1ccc(cc1)C(=O)CC(Nc1ccc(F)cc1)c1cccc(F)c1

BDBM50321218

Cc1ccc(cc1)C(=O)CC(Nc1ccc(F)c(F)c1)c1cccc(F)c1

BDBM50323011

C[C@@]12CNC[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323012

CN1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|

BDBM50323013

C[C@@]12O[C@@](C)(c3c(O)n(c(O)c13)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(CC1CC1)C2=O |r|

BDBM50323014

CC(C)[N+]1([O-])C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|

BDBM50323015

CC(C)N1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|

BDBM50323016

C[C@@]12CN(O)C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323017

CON1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323018

CCCN1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323019

CCC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323020

CC(C)C(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323021

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)C1CC1 |r|

BDBM50323022

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)c1ccccc1 |r|

BDBM50323023

CCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323024

CCCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323025

CC(C)OC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323026

CCNC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323027

CC(C)NC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323028

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccccc1 |r|

BDBM50323029

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1 |r|

BDBM50323030

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(C)(=O)=O |r|

BDBM50323031

CCS(=O)(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50323032

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1 |r|

BDBM50323033

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|

BDBM50323034

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccccn1 |r|

BDBM50323035

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)C(N)=O |r|

BDBM50323036

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O |r|

BDBM50323037

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|

BDBM50323038

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cc(Cl)ncn1 |r|

BDBM50323039

C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1ncccn1 |r|

BDBM50323590

Cn1c(ccc1-c1ccc(cc1)C(=O)C(C)(C)C)C#N

BDBM50323591

Cn1c(ccc1-c1ccc(cc1)C(N=O)C(C)(C)C)C#N

BDBM50324146

COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:7|

BDBM50324149

CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:10,t:3|

BDBM50324151

CCCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:11,t:4|

BDBM50324157

CCCC1=C(C(C(C#N)C(C)=N1)c1ccc(F)cc1Cl)C(=O)OC |c:10,t:3|

BDBM50324158

COC(=O)C1=C(N=C(C)C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F |t:4,6|

BDBM50324117

COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|

BDBM50324118

COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|

BDBM50324119

COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|

BDBM50324115

COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|

BDBM50324116

COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl |r,c:4,t:13|

BDBM50324160

OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(cc1)C#N |r,t:7|

BDBM50324196

OC(=O)c1ccc(cc1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:10|

BDBM50324199

COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|

BDBM50324201

CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:13|

BDBM50324210

OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|

BDBM50324226

Cc1cc(ccc1C#N)N1N=C2[C@H](OCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:11|

BDBM50324227

OC(=O)c1ccc(cc1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:10|

BDBM50329718

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCCc2ccccc2)c(C)c1 |r|

BDBM50329721

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1 |r|

BDBM50329720

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1 |r|

BDBM50329719

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C23CC4CC(CC(C4)C2)C3)c(C)c1 |r,THB:24:26:29:33.32.31,34:26:29:33.32.31,34:32:26.27.35:29,31:30:27:33.32.34,31:32:27:35.29.30|

BDBM50329717

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)Cc2ccccc2)c(C)c1 |r|

BDBM50329702

CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|

BDBM50329703

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|

BDBM50329705

CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1

BDBM50329706

CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O

BDBM50329707

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1

BDBM50329708

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCc2ccccc2)c(C)c1 |r|

BDBM50329709

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCCc2ccccc2)c(C)c1 |r|

BDBM50329710

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCCCc2ccccc2)c(C)c1 |r|

BDBM50329711

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 |r,TLB:29:30:27.28.33:34,THB:29:28:34:35.30.31,31:30:27:33.32.34,31:32:27:35.29.30|

BDBM50329712

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1 |r|

BDBM50329713

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccccc2)c(C)c1 |r|

BDBM50329714

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCc2ccccc2)c(C)c1 |r|

BDBM50329715

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCc2ccccc2)c(C)c1 |r|

BDBM50329716

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(C[C@@H]2O)C(=O)OCc2ccccc2)c(C)c1 |r|

BDBM50331865

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1

BDBM50331866

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(c1)S(N)(=O)=O

BDBM50331867

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O

BDBM50331868

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(n1)S(N)(=O)=O

BDBM50331869

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(n1)S(N)(=O)=O

BDBM50331870

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccnc(c1)S(N)(=O)=O

BDBM50331871

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cncc(c1)S(N)(=O)=O

BDBM50331872

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cncc(c1)S(N)(=O)=O

BDBM50348411

CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nncs1 |r|

BDBM50348413

Cc1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nncs1 |r|

BDBM50348414

CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r|

BDBM50348405

CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r|

BDBM50348408

CC(C)([C@@H](c1ccccc1)c1ccc(O)c(c1)C#N)C(=O)Nc1nccs1 |r|

BDBM50348407

CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r|

BDBM50379430

COc1ccccc1C(=O)\C=C\c1ccccc1[N+]([O-])=O

BDBM50379771

Clc1cc(ccc1C#N)-n1c2ccccc2n(Cc2nc(no2)-c2ccccn2)c1=O

BDBM50379772

COc1cc(ccc1C#N)N1C(=O)C(C)(C)c2cc(ccc12)-c1cccnc1OC

BDBM50379773

CNC(=O)c1ccc(cc1F)-c1ccc2N(C(=O)C(C)(C)c2c1)c1ccc(C#N)c(OC)c1

BDBM50379774

CNC(=O)c1ccc(cc1F)-c1ccc2N(C(=O)C(C)(C)c2c1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50379775

CC(c1nc(no1)-c1ccccn1)n1c2ccccc2n(-c2ccc(C#N)c(Cl)c2)c1=O

BDBM50379776

CC(c1ccccc1)n1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O

BDBM50379777

FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2cccnc2)c1=O

BDBM50379778

FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2ccccn2)c1=O

BDBM50379779

FC(F)(F)c1cc(ccc1C#N)-n1c2cccnc2n(Cc2ccccc2)c1=O

BDBM50379780

FC(F)(F)c1cc(ccc1C#N)-n1c2ncccc2n(Cc2ccccc2)c1=O

BDBM50379781

CCn1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O

BDBM50379782

CC(C)n1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O

BDBM50379783

FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2ccccc2)c1=O

BDBM50393801

Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:12|

BDBM50393802

[O-][N+](=O)c1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:7|

BDBM50393803

[O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:14|

BDBM50393804

FC(F)(F)c1cc(ccc1C1=NOC2CCCCCCC12)C#N |t:11|

BDBM50393805

FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCCC12 |t:13|

BDBM50393806

Fc1ccc(C2=NOC3CCCCCC23)c(c1)C(F)(F)F |t:5|

BDBM50393807

Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:12|

BDBM50393808

[O-][N+](=O)c1ccc(C2=NO[C@H]3CCCCC[C@@H]23)c(c1)C(F)(F)F |r,t:7|

BDBM50393809

[O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)c(c1)C(F)(F)F |r,t:7|

BDBM50393810

[O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:14|

BDBM50393811

FC(F)(F)c1cc(ccc1C1=NOC2CCCCCC12)C#N |t:11|

BDBM50393812

Fc1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:5|

BDBM50393813

FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCC12 |t:13|

BDBM50393814

Fc1ccc(C2=NOC3CCCCC23)c(c1)C(F)(F)F |t:5|

BDBM50393815

Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12 |t:12|

BDBM50393816

[O-][N+](=O)c1ccc(C2=NO[C@H]3CCCC[C@@H]23)c(c1)C(F)(F)F |r,t:7|

BDBM50393817

[O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCC[C@H]23)c(c1)C(F)(F)F |r,t:7|

BDBM50393818

[O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12 |t:14|

BDBM50393819

FC(F)(F)c1c(cccc1C1=NOC2CCCCC12)C#N |t:11|

BDBM50393820

FC(F)(F)c1cc(ccc1C1=NOC2CCCCC12)C#N |t:11|

BDBM50393821

FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCC12 |t:13|

BDBM50393822

Fc1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:5|

BDBM50393823

Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCC12 |t:12|

BDBM50393824

[O-][N+](=O)c1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:7|

BDBM50393825

[O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@@H]2CCC[C@H]12 |r,t:14|

BDBM50393826

[O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@H]2CCC[C@@H]12 |r,t:14|

BDBM50393827

FC(F)(F)c1cc(ccc1C1=NOC2CCCC12)C#N |t:11|

BDBM50393828

FC(F)(F)c1cc(ccc1C#N)C1=NO[C@@H]2CCC[C@H]12 |r,t:13|

BDBM50393829

FC(F)(F)c1cc(ccc1C#N)C1=NO[C@H]2CCC[C@@H]12 |r,t:13|

BDBM50398063

CCOC(=O)C1=C(C)N=C(C)C([C@H]1c1cccc2c1oc(C)cc2=O)C(C)=O |r,c:5,t:8|

BDBM50398065

Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1 |r|

BDBM50401596

CCS(=O)(=O)Nc1cc(F)c(-c2ccc(C#N)n2C)c(F)c1 |(36.99,-28.77,;35.66,-29.54,;34.32,-28.76,;33.54,-27.42,;35.08,-27.42,;32.99,-29.54,;31.65,-28.77,;31.65,-27.22,;30.31,-26.46,;30.31,-24.92,;28.99,-27.23,;27.66,-26.46,;27.69,-24.92,;26.24,-24.41,;25.31,-25.64,;23.77,-25.61,;22.23,-25.57,;26.19,-26.91,;25.68,-28.36,;28.98,-28.77,;27.65,-29.54,;30.32,-29.54,)|

BDBM50409115

CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37|

BDBM50405375

C[C@]12CC[C@H]3[C@@H](CCc4ccccc34)[C@@H]1CC[C@@H]2O

BDBM50410487

COc1cc(\C=C/C)ccc1O

BDBM50250268

C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 |r|

BDBM50410488

Clc1ccc(cc1)-c1ccccc1Cl

BDBM50410489

C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@@H]2O |c:2,4,10|

BDBM50139858

ClC12C(=O)C3(Cl)[C@]4(Cl)C1(Cl)C1(Cl)C2(Cl)[C@@]3(Cl)C4(Cl)C1(Cl)Cl |TLB:1:8:12.14:18,1:12:8.6:18,4:6:12.14:18,4:14:8.6:18,THB:7:6:12.14:18,13:12:8.6:18,9:8:12.14:18,15:14:8.6:18|

BDBM50410490

ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |t:11,TLB:5:4:15:9.11,10:9:15:4.3,THB:2:3:15:9.11,12:11:15:4.3|

BDBM50410491

Oc1ccc(cc1)C(=O)c1ccccc1

BDBM50410492

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O |r,t:8|

BDBM20624

[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

BDBM50177405

COc1cc(ccc1O)C=O

BDBM50149238

Oc1ccc(cc1)-c1ccccc1

BDBM50065941

COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6|

BDBM50410493

Cc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)[C@H](O)C[C@H]4[C@@H]3CCc2c1

BDBM23451

c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O

BDBM50410494

C1OC[C@H]([C@H]1c1ccccc1)c1ccccc1

BDBM50410495

CC(C)(C)c1ccc(O)cc1

BDBM50410496

Oc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1Cl

BDBM50410497

Clc1ccc(cc1)C(c1ccccc1Cl)C(Cl)(Cl)Cl

BDBM18660

[H][C@@]12CC[C@](C)(C(=O)CC)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:15,21|

BDBM50187243

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O

BDBM50410498

Oc1ccc(\C=C\c2ccccc2)cc1

BDBM50410499

Cc1cc(ccc1O)Cl

BDBM50410500

CCC(C)c1ccccc1O

BDBM50410501

Cc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C[C@](C)(O)[C@@H]4O)[C@@H]3CCc2c1

BDBM50410502

CCCCCCCCCc1ccc(OCCOCCO)cc1

BDBM20192

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14|

BDBM50410503

[#6]-[#8]-c1cc(ccc1-[#8])-[#6](=[#6](/Cl)Cl)\c1ccc(-[#8])cc1

BDBM50408345

Clc1ccc(c(Cl)c1)-c1ccc(Cl)cc1Cl

BDBM50410504

[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\Cl)Cl)\c1ccc(-[#8])cc1

BDBM17639

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

BDBM50410505

CCC(C)c1ccc(O)cc1

BDBM50410506

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O

BDBM51223

c1ccc(cc1)C(=O)c2ccc(cc2O)O

BDBM50410507

C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)C#C |c:8|

BDBM50410508

c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl

BDBM50081950

Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1

BDBM74109

CCCCCCCCc1ccc(O)cc1

BDBM70190

CCCOC(=O)c1ccc(cc1)O

BDBM50410509

c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O

BDBM50410510

C\C(=C(\C)c1ccc(O)cc1)c1ccc(O)cc1

BDBM50410511

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2

BDBM50410512

c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl

BDBM50167952

c1cc(cc(c1)Cl)O

BDBM50410513

C[C@]12CC(=O)C3C(CC[C@H]4CC(=O)CC[C@]34C)C1CCC2=O

BDBM22726

c1ccc(cc1)C(=O)c2ccccc2

BDBM50410514

C[C@]12CC[C@H]3[C@@H](CCC4(CC(=O)CC[C@]34C)OC(=O)c3ccccc3)[C@@H]1CC[C@@H]2O

BDBM32019

C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1

BDBM50410515

Cl\[#6](Cl)=[#6](/c1ccc(Cl)cc1)-c1ccccc1Cl

BDBM50262140

C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O

BDBM19214

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O |c:6|

BDBM50410516

O=C1CCC2C1CC(=O)C1C2CCC2CCCCC12

BDBM81212

CCC(C(CC)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

BDBM50410517

CCCCCCCCCCCCc1ccc(O)cc1

BDBM50410518

C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2O

BDBM50410519

c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O

BDBM20625

CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O

BDBM29143

O=C(\C=C\c1ccccc1)c1ccccc1

BDBM50410520

Oc1ccc(OCc2ccccc2)cc1

BDBM50410521

ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |c:2,t:10,TLB:1:5:14:8.10,9:8:14:5.4,THB:3:4:14:8.10,11:10:14:5.4|

BDBM26664

Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1

BDBM55354

CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3

BDBM50410523

C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2

BDBM50042986

Oc1ccc(cc1)C(=O)\C=C\c1ccccc1

BDBM50410524

Oc1ccc(\C=C\c2ccc(O)cc2)cc1

BDBM50410525

Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl |r|

BDBM50410526

C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r,t:8|

BDBM50410527

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2O

BDBM50148732

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34

BDBM50410528

Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1 |r|

BDBM50410529

CCC(C(CC)c1ccc(OC)cc1)c1ccc(O)cc1

BDBM50051350

c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O

BDBM50410530

[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\Cl)Cl)\c1ccc(-[#8]-[#6])cc1

BDBM20608

CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3

BDBM50093445

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|

BDBM29609

CC(C)(c1ccccc1)c2ccc(cc2)O

BDBM13775

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9|

BDBM50209100

COC(=O)c1ccc(cc1)O

BDBM50410531

C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:9|

BDBM20607

CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3

BDBM50410532

CCCCCCCCCc1ccc(O)cc1

BDBM50410533

ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl |c:1,10,TLB:0:1:15:6.12,THB:3:2:15:6.12|

BDBM50341558

CCCCCCCOc1ccc(O)cc1

BDBM50240986

ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl |c:1|

BDBM50410534

Oc1c(Cl)cc(cc1Cl)-c1cc(Cl)c(O)c(Cl)c1

BDBM50410535

COc1ccc(cc1)C(c1ccc(OC)cc1)C(Cl)(Cl)Cl

BDBM50170653

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|

BDBM50410536

CCC(C)(C)c1ccc(O)cc1

BDBM50410537

ClC(Cl)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

BDBM50410538

CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O

BDBM50410539

Cl\C=C(/c1ccc(Cl)cc1)c1ccccc1Cl

BDBM29608

CC(C)(c1ccc(cc1)O)c2ccc(cc2)O

BDBM50410540

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|

BDBM34649

C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O

BDBM50223368

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:7|

BDBM86004

c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O

BDBM50410541

C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O

BDBM25807

c1cc(ccc1C(=O)c2ccc(cc2)O)O

BDBM50410522

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |r,t:9|

BDBM50412519

CCN(C[C@](O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r|

BDBM50415022

Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1

BDBM50415011

Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl

BDBM50415023

Cc1ccccc1C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12

BDBM50415014

Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cccc(Cl)c1Cl

BDBM50415015

Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccc(Cl)cc1Cl

BDBM50415016

Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cc(Cl)ccc1Cl

BDBM50415017

Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1c(F)cccc1Cl

BDBM50415018

Cc1c(C#N)c(N)nc2c3[C@H](CC(=O)Nc3sc12)c1ccccc1Cl |r|

BDBM50415019

Cc1c(C#N)c(N)nc2c3[C@@H](CC(=O)Nc3sc12)c1ccccc1Cl |r|

BDBM50415020

Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl

BDBM50415021

Cc1c(C#N)c(=O)[nH]c2c3C(CC(=O)Nc3sc12)c1ccccc1Cl

BDBM50415086

Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(C)(O)C2)C#N |r,TLB:15:14:8:10.11,7:8:14.17.13:10.11,THB:16:14:8:10.11|

BDBM50415087

N#Cc1ccc(N2[C@@H]3CC[C@@H]2CCC3)c2ccccc12 |r,TLB:5:6:12.13.11:8.9|

BDBM50415088

OC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5|

BDBM50415089

COC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:1:2:9:5.6,10:9:2.3.8:5.6|

BDBM50415090

O=C1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5|

BDBM50415091

Cc1c(C)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)[N+]([O-])=O |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11|

BDBM50415092

Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)C#N |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11|

BDBM50415093

OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C1CC1 |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5|

BDBM50415094

OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C=C |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5|

BDBM50415095

CC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:2:1:9:5.6,10:9:1.3.8:5.6,THB:0:1:9:5.6|

BDBM50415096

CCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:3:2:10:6.7,11:10:2.4.9:6.7,THB:1:2:10:6.7|

BDBM50415097

[O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12

BDBM50415098

N#Cc1ccc(N2CCCC2)c2ccccc12

BDBM50415099

CCCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:2:3:11:7.8|

BDBM50415100

CC(C)C1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:1:3:11:7.8|

BDBM50416075

CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416076

CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416077

CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416078

CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416079

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416080

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416084

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccccc1

BDBM50416085

CC(C)NS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416086

Oc1ccc(cc1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1

BDBM50416087

Oc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1

BDBM50416088

CCOc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1

BDBM50416089

CCOc1ccccc1-c1ccc2n(ncc2c1)-c1ccc(F)cc1

BDBM50416091

Cc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1

BDBM50416094

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1cccc(c1)C#N

BDBM50416096

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1)C(F)(F)F

BDBM50416097

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1cccc(c1)C(F)(F)F

BDBM50416099

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1

BDBM50416104

CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416100

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F

BDBM50416102

CC(C)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416105

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F

BDBM50416101

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccsc2)cc1C(F)(F)F

BDBM50416103

COc1cccc(c1)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416072

CCCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416074

CCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416106

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1C(F)(F)F

BDBM50416082

CCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416083

CC(C)CNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416107

CCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416073

OCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416090

Cc1ccc(cc1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1

BDBM50416092

Cc1ccccc1-c1ccc2n(ncc2c1)-c1ccc(F)cc1

BDBM50416093

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1)C#N

BDBM50416098

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1C(F)(F)F

BDBM50416081

CS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F

BDBM50416071

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F

BDBM50416095

Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1C#N

BDBM50201104

COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F

BDBM50416870

COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(c1)c(C)noc2=O)C(F)(F)F

BDBM50416871

COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ccccc12)C(F)(F)F

BDBM50416867

COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F

BDBM50416868

CC(C)(CC(O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O

BDBM50201099

Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12

BDBM50172022

Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12

BDBM50416872

CC(C)(CC(O)(CNc1cccc2ccccc12)C(F)(F)F)c1cc(F)ccc1O

BDBM50416873

COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(C)ccc12)C(F)(F)F

BDBM50420539

Oc1cc2ccccc2cc1\C=N\NC(=O)c1cc2ccccc2cc1O

BDBM50420541

CCCOc1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc1

BDBM50420542

Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O

BDBM50425734

Cc1cccc(C)c1OCCSc1nc2ccccc2[nH]1

BDBM50425735

Cc1cccc(OCCSc2nc3ccccc3[nH]2)c1

BDBM44830

c1ccc(cc1)OCCSc2[nH]c3ccccc3n2

BDBM50425736

C(CSc1cc2ccccc2[nH]1)Oc1ccccc1

BDBM50425737

NS(=O)(=O)c1ccc(OCCSc2nc3ccccc3[nH]2)cc1

BDBM50425738

Clc1ccc(OCCSc2nc3ccccc3[nH]2)cc1

BDBM50425739

Clc1cccc(OCCSc2nc3ccccc3[nH]2)c1

BDBM50425740

Cc1ccc(OCCSc2nc3ccccc3[nH]2)cc1

BDBM50425741

Cc1ccccc1OCCSc1nc2ccccc2[nH]1

BDBM50425742

C(Cc1ccccc1)Sc1nc2ccccc2[nH]1

BDBM50425743

C(COc1ccccc1)CSc1nc2ccccc2[nH]1

BDBM50425744

C(CSc1nc2ccccc2[nH]1)Nc1ccccc1

BDBM50425745

C(CSc1nc2ccccc2[nH]1)Cc1ccccc1

BDBM50425746

O=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1

BDBM50425747

O=S(CCOc1ccccc1)c1nc2ccccc2[nH]1

BDBM50425748

C(COc1ccccc1)Cc1nc2ccccc2[nH]1

BDBM50425749

C(COc1ccccc1)Nc1nc2ccccc2[nH]1

BDBM62850

C(CSc1nc2ccccc2o1)Oc1ccccc1

BDBM50425750

C=CCn1c(SCCOc2ccccc2)nc2ccccc12

BDBM79905

OC(=O)CCn1c(SCCOc2ccccc2)nc2ccccc12

BDBM50425751

OCCn1c(SCCOc2ccccc2)nc2ccccc12

BDBM50425752

CCn1c(SCCOc2ccccc2)nc2ccccc12

BDBM50425753

CCc1cccc(OCCSc2nc3ccccc3n2CCC(O)=O)c1

BDBM50425754

COC(=O)Cn1c(SCCOc2cccc(CC=C)c2)nc2ccccc12

BDBM50425755

CC(C)(C)c1cccc(OCCSc2nc3ccccc3n2CC(O)=O)c1

BDBM50425756

Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(O)=O)c1

BDBM43281

Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(O)=O)c1

BDBM50425757

CCN(CC)C(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12

BDBM79904

Cc1cccc(OCCSc2nc3ccccc3n2CCC(O)=O)c1

BDBM50425758

Cc1cccc(OCCSc2nc3ccccc3n2CC(O)=O)c1

BDBM50425759

Cc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1C

BDBM50425760

Cc1cccc(OCCSc2nc3ccccc3n2CCOc2ccccc2)c1

BDBM50425761

Cc1ccc(OCCSc2nc3ccccc3n2CCC(O)=O)cc1

BDBM50425762

CCc1cccc(OCCSc2nc3ccccc3n2CC(O)=O)c1

BDBM50425763

CCOC(=O)Cn1c(SCCOc2cc(C)cc(C)c2)nc2ccccc12

BDBM50425764

COC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc12

BDBM50425765

CCc1cccc(OCCSc2nc3ccccc3n2CC(=O)OC)c1

BDBM50425766

Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1

BDBM50425767

Cc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1

BDBM50425768

CCOC(=O)Cn1c(SCCOc2cccc(CC)c2)nc2ccccc12

BDBM50425769

Cc1cccc(OCCSc2nc3ccccc3n2C)c1

BDBM50425770

CCOC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc12

BDBM50425771

CCn1c(SCCOc2cccc(C)c2)nc2ccccc12

BDBM50425772

COC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc12

BDBM50425773

CC(C)OC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc12

BDBM50425774

COCCn1c(SCCOc2cccc(C)c2)nc2ccccc12

BDBM50425775

CCOc1cccc(OCCSc2nc3ccccc3n2CCOc2ccc(C)cc2)c1

BDBM50425776

CCOC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12

BDBM50425777

CC(C)OC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12

BDBM50425778

COCCn1c(SCCOc2ccc(C)cc2)nc2ccccc12

BDBM50425779

CC(C)OC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc12

BDBM17638

Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O

BDBM50427619

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(C)(=O)=O)c(C)c2c1

BDBM50427620

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(O)=O)c(C)c2c1

BDBM50427621

COc1ccc2n(cc(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1)C(=O)c1ccc(Cl)cc1

BDBM50428545

CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(F)c1 |r|

BDBM50428546

CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(cc1)C#N |r|

BDBM50428547

CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(OC)c1 |r|

BDBM50428548

C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)N1CCCC1=O)c1ccc(C#N)c(Cl)c1 |r|

BDBM50428549

CNC(=O)c1ccc(cn1)[C@@]1(O)CCN([C@@H]1C)c1ccc(C#N)c(Cl)c1 |r|

BDBM50428550

C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1 |r|

BDBM50428552

CNC(=O)c1ccc(nc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r|

BDBM50428553

CNC(=O)c1ccc(cc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r|

BDBM50428554

C[C@@H]1N(CC[C@@]1(O)c1ccc(cc1)C(N)=O)c1ccc(C#N)c(Cl)c1 |r|

BDBM50428555

C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r|

BDBM50428556

OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1

BDBM50428557

OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccccc1

BDBM50428558

OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1

BDBM50428559

OC1CCN(C1)c1ccc(C#N)c(Cl)c1

BDBM50430749

CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|

BDBM50430750

CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r|

BDBM50430751

CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|

BDBM50430752

CC[Si](CC)(c1ccc(NC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|

BDBM50430753

CC[Si](CC)(c1ccc(NC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|

BDBM50430754

CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|

BDBM50430755

CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|

BDBM50430756

CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r|

BDBM50430757

CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|

BDBM50200182

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50430758

CC[Si](CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50430759

CC[Si](CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM36721

CCC(CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50430946

COc1ccc2CN(CCc2c1OC)c1ccc(cn1)C(=O)Nc1cccc(C)n1

BDBM50430945

CCOc1ccc2CN(CCc2c1)c1ccc(cn1)C(=O)Nc1cccc(C)n1

BDBM50430944

Cc1cccc(NC(=O)c2ccc(nc2)N2CCc3ccccc3C2)n1

BDBM50434566

Fc1cccc2oc(cc(=O)c12)-c1ccc(Cl)cc1

BDBM50434567

Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)[N+]([O-])=O

BDBM50434568

Oc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1

BDBM50434569

Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C#N

BDBM50434570

Fc1ccc(cc1)-c1cc(=O)c2c(F)cccc2o1

BDBM50434571

Cc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1

BDBM50434572

Oc1cc(oc2cccc(=O)c12)-c1ccc(Cl)cc1

BDBM50434573

Fc1cccc2oc(cc(=O)c12)-c1ccccc1

BDBM50312650

Oc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1

BDBM50434574

CN(C)c1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1

BDBM50434575

CSc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1

BDBM50434576

Fc1cccc2oc(cc(=O)c12)-c1ccc(cc1)C#N

BDBM50434577

Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C(F)(F)F

BDBM50434578

COc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1

BDBM50434579

Nc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1

BDBM50434580

NC(=O)c1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1

BDBM50436484

CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(cc1)C#N

BDBM50436485

CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc2ccccc2c1

BDBM50436486

CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(F)c(Cl)c1

BDBM50436487

CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1cc(Cl)cc(Cl)c1

BDBM50437046

CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1

BDBM50437047

CCCC[Si](CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1

BDBM50437048

CCC(CC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1

BDBM50437049

CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1

BDBM50437050

CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1

BDBM50437564

C[C@@H](N1C(=O)O[C@](Cc2ccc(F)cc2)(C(=O)NCc2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1 |r|

BDBM50437565

COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc34)C2=O)cc(OC)c1 |r|

BDBM50439607

CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|

BDBM50439608

CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|

BDBM50439609

CC1NC(=O)C(=C1c1cc(F)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|

BDBM50439610

CC1NC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|

BDBM50439611

CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:8|

BDBM50439612

CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|

BDBM50439613

CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5|

BDBM50439614

CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|

BDBM50439615

CCC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|

BDBM50439616

CC1(F)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|

BDBM50439617

CC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|

BDBM50439618

CC1(C)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|

BDBM50439619

Cc1cc(F)ccc1C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:9|

BDBM50439620

c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2

BDBM50439606

Fc1ccc(cc1)C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:8|

BDBM50440096

CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|

BDBM50440097

CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|

BDBM50440098

CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|

BDBM50440220

CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|

BDBM50440233

CCCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1

BDBM50440242

CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|

BDBM50440243

CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|

BDBM50441938

Fc1ccc(C(=O)O[C@@H]2[C@H](N(C=CC2=O)C(=O)C=Cc2ccccc2)c2ccccc2)c(c1)C(F)(F)F |r,w:17.17,c:11|

BDBM50442121

COc1cccc(c1)C(=O)Nc1cnc(Oc2ccc(O)cc2)nc1

BDBM50442122

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)nc1

BDBM50442123

COc1cccc(c1)C(=O)Nc1cc(C)c(Oc2ccc(O)cc2)c(C)c1

BDBM50442125

COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1

BDBM50442126

O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1

BDBM50442127

Oc1ccc(Oc2ccc(NC(=O)c3ccncc3)cc2)cc1

BDBM50442128

Oc1ccc(Oc2ccc(NC(=O)c3cccnc3)cc2)cc1

BDBM50442129

Oc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2)cc1

BDBM50442130

CN(C)c1ccc(cc1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1

BDBM50442131

CN(C)c1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1

BDBM50442132

Oc1ccc(Oc2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)cc2)cc1

BDBM50442133

Oc1ccc(Oc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)cc1

BDBM50442134

Oc1ccc(Oc2ccc(NC(=O)c3ccccc3[N+]([O-])=O)cc2)cc1

BDBM50442135

Oc1ccc(Oc2ccc(NC(=O)c3ccccc3O)cc2)cc1

BDBM50442136

COc1ccc(cc1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1

BDBM50442137

COc1ccccc1C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1

BDBM50442138

Oc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)cc1

BDBM50443329

Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1

BDBM50448165

[#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1

BDBM50448166

C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12

BDBM50448167

CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12

BDBM50448168

CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C

BDBM50007584

C[C@](O)(COc1ccc(cc1)C#N)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007585

C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007586

C[C@](O)(COc1ccccc1C#N)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007587

C[C@](O)(COc1ccc(F)cc1C#N)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007588

C[C@](O)(COc1ccc(F)cc1Br)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007589

Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007590

C[C@](O)(COc1ccc(cc1Br)C#N)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007591

C[C@](O)(COc1ccc(cc1F)C#N)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007592

COc1cc(ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N)C#N |r|

BDBM50007593

COc1cc(Cl)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007594

COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(F)c1 |r|

BDBM50007595

COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(Cl)c1 |r|

BDBM50007596

C[C@](O)(COc1ccc(Cl)cc1F)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007597

C[C@](O)(COc1ccc(Cl)cc1Cl)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007598

C[C@](O)(COc1ccc(Br)cc1F)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007599

C[C@](O)(COc1ccccc1)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007600

C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007601

C[C@](O)(COc1cccc(F)c1)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007602

C[C@](O)(COc1ccccc1F)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007603

C[C@](O)(COc1ccc(Cl)cc1)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007604

C[C@](O)(COc1cccc(Cl)c1)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007605

C[C@](O)(COc1ccccc1Cl)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007606

C[C@](O)(COc1ccc(Br)cc1)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007607

C[C@](O)(COc1ccc(cc1)C(F)(F)F)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50007608

COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|

BDBM50007609

COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|

BDBM50007610

C[C@](O)(COc1ccc(cc1)-c1cocn1)C(=O)N1CCc2c1cccc2C#N |r|

BDBM50009583

COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|

BDBM50009584

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r|

BDBM50013153

CC(C)(O)c1cn(nn1)-c1ccc(Cl)c(c1)C(F)(F)F

BDBM50013154

CC(C)(O)c1cn(nn1)-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50013155

CC(C)(O)c1cn(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50013428

COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:16|

BDBM50013429

COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:16|

BDBM50013430

COc1nc(ccc1C(=O)Nc1nnn[nH]1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:18|

BDBM50013413

COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|

BDBM50013414

CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|

BDBM50013412

COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|

BDBM50013416

COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|

BDBM50013417

COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|

BDBM50013418

Cc1nc(ccc1C#N)N1N=C(C[C@@H]1C1CCCC1)c1ccc(cc1)C(O)=O |r,c:11|

BDBM50013419

CCOc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|

BDBM50013420

COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|

BDBM50013422

COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|

BDBM50013423

CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|

BDBM50013424

COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:14|

BDBM50013425

COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|

BDBM50013426

CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:13|

BDBM50013427

COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:14|

BDBM50014432

C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|

BDBM50014433

C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r|

BDBM50024798

Cc1[nH]nc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1

BDBM50024799

Cc1onc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1

BDBM50024800

Cn1ncc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1

BDBM50024801

Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024802

Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1F |(36.03,-29.04,;37.44,-28.41,;38.77,-29.18,;39.91,-28.15,;41.42,-28.47,;39.28,-26.74,;37.76,-26.9,;36.72,-25.76,;37.2,-24.3,;36.17,-23.15,;34.67,-23.47,;33.64,-22.32,;32.13,-22.65,;31.65,-24.11,;30.15,-24.43,;32.68,-25.25,;34.19,-24.94,;35.22,-26.08,;40.05,-25.41,;39.28,-24.07,;40.05,-22.74,;41.59,-22.74,;42.36,-21.41,;42.36,-24.07,;41.59,-25.41,;42.36,-26.74,)|

BDBM50024803

Cc1nn(C)c(c1-c1cc(C)c2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024804

CCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1

BDBM50024805

CCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1

BDBM50024806

Cc1nn(Cc2ccccc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024809

Cc1nn(CCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024827

Cc1nn(CCCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024828

Cc1nn(Cc2ccccn2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024833

Cc1nn(Cc2cccnc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024846

Cc1nn(Cc2ccncc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024847

CCCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1

BDBM50024848

CC(C)Cn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1

BDBM50024849

Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024853

Cc1nn(CCNS(C)(=O)=O)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024855

Cc1nn(CCC#N)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024856

Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024857

Cc1nn(CC(F)(F)CCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024859

Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50024860

Cc1nn(CCC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1

BDBM50035571

[H][C@@]12CC(=O)c3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)c1ccccc1)C(C)C |r|

BDBM50048339

CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|

BDBM50048340

CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|

BDBM50051047

CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(F)ccc2[nH]1

BDBM50051048

CC(C)N(Cc1ccco1)C(=O)c1cc2cc(C)ccc2[nH]1

BDBM50051049

CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(C)ccc2[nH]1

BDBM50051050

CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(C)cc2[nH]1

BDBM50051051

CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccccc2[nH]1

BDBM50051052

CN(Cc1cccs1)C(=O)c1cc2ccc(F)cc2[nH]1

BDBM50051053

CN(Cc1ccc(Br)s1)C(=O)c1cc2ccc(F)cc2[nH]1

BDBM50051054

Fc1ccc2cc([nH]c2c1)C(=O)N(Cc1ccco1)Cc1ccco1

BDBM50051055

CC(C)N(Cc1ccco1)C(=O)c1cc2cc(ccc2[nH]1)C(F)(F)F

BDBM50051056

COCCN(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1

BDBM50051057

O=C(N(CCC#N)Cc1ccccc1)c1cc2ccccc2[nH]1

BDBM50051058

CN(Cc1ccc(C)o1)C(=O)c1cc2cc(F)ccc2[nH]1

BDBM50051059

CN(Cc1ccc(Br)o1)C(=O)c1cc2ccc(F)cc2[nH]1

BDBM50051060

CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1

BDBM50051061

CC(C)N(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1

BDBM50051062

CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(F)cc2[nH]1

BDBM50051063

CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cccc(F)c2[nH]1

BDBM50051064

CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(C)cc2[nH]1

BDBM50057640

[H][C@@]12CC(F)(F)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:9|

BDBM50057641

[H][C@@]12CC(=O)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057642

[H][C@@]12C[C@H](F)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057643

[H][C@@]12C[C@@H](O)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057644

[H][C@@]12[C@H](F)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057645

[H][C@@]12[C@@H](F)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057646

[H][C@@]12[C@H](CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C)OC |r,c:7|

BDBM50057647

[H][C@@]12[C@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057648

[H][C@@]12[C@@H](O)CCN1N=C([C@H]2OCCOC)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057649

[H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC(C)C)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057650

[H][C@@]12[C@@H](O)CCN1N=C([C@H]2OCC)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50057652

[H][C@@]12[C@@H](O)CCN1N=C([C@H]2O)c1ccc(C#N)c(Cl)c1C |r,c:8|

BDBM50068089

CC1(C)CCCN1c1ccc(C#N)c2ccccc12

BDBM50068090

C[C@@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50068091

C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50068092

OC(=O)c1ccc(N2CCCC2)c2ccccc12

BDBM50068093

CC[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50068094

CC(C)[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50068095

NC(=O)[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50068096

N#C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50068098

C[C@H]1[C@H](O)CCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50068099

C[C@@H]1N(CCC1=O)c1ccc(C#N)c2ccccc12 |r|

BDBM50068100

C[C@H]1[C@@H](CO)CCN1c1ccc(C#N)c2ccccc12 |r|

BDBM50068101

C[C@H]1[C@H](CCN1c1ccc(C#N)c2ccccc12)C(C)(C)O |r|

BDBM50068102

COC(=O)[C@H]1CCN([C@H]1C)c1ccc(C#N)c2ccccc12 |r|

BDBM50073105

[H][C@]12CC[C@@]([H])(CC(C1)NS(=O)(=O)CC)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@@:7|

BDBM50073106

[H][C@]12CC[C@@]([H])(CC(C1)NS(C)(=O)=O)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@@:7|

BDBM50073107

[H][C@]12CC[C@@]([H])(CC(C1)NCc1ccccc1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@@:7|

BDBM50073108

FC(F)(F)c1cc(ccc1C#N)N1C2CCC1CC(=O)C2

BDBM50073109

[H][C@]12CC[C@@]([H])(CC(C)(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7,TLB:8:7:11:2.3,THB:9:7:11:2.3|

BDBM50073110

[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7|

BDBM50073111

[H][C@]12CC[C@]([H])(C[C@H](O)C1)N2c1ccc(C#N)c(Cl)c1 |r,TLB:8:7:10:2.3|

BDBM50081069

[H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r|

BDBM50081070

Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12

BDBM50089636

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 |r|

BDBM50089633

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1 |r|

BDBM50089631

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1 |r|

BDBM50089607

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1 |r|

BDBM50089605

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1 |r|

BDBM50089604

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1 |r|

BDBM50089603

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1 |r|

BDBM50089593

C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1 |r|

BDBM50090462

CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl

BDBM50091046

Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.54,-4.54,;3.47,-3.72,;4.98,-4.05,;5.76,-2.71,;4.73,-1.56,;4.98,-.35,;3.33,-2.19,;2.01,-1.4,;.66,-2.12,;-.68,-1.4,;-.68,.15,;-2.01,.93,;-3.37,.15,;-4.42,-.49,;-3.33,1.39,;-3.37,-1.4,;-4.43,-2.04,;-2.01,-2.12,;-.91,-2.7,;-3.09,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.18,1.19,;2.01,.15,)|

BDBM50094957

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)CO)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50094958

CNC(=O)c1ccc(cc1F)N1[C@@H](C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50094959

CNC(=O)c1ccc(cc1F)N1[C@H](C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50094960

CNC(=O)c1ccc(cc1F)N1C(C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50094961

CNC(=O)c1ccc(cc1F)N1CCC(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50094962

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(COC)COC)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50094963

CCOC(=O)CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NC)c(F)c1

BDBM50094964

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)COCc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50094965

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]1(C)COC)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50094966

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@@]1(C)COC)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50094967

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)COC)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50094969

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCOCC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50094970

NC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50094971

COC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50094972

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50094973

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|

BDBM50094974

CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50110730

COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)|

BDBM50110737

COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.03,-2.79,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)|

BDBM50110738

COc1ccc(F)cc1-c1c[nH]c2c(NC(C)=O)cccc12

BDBM50110739

COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1

BDBM50110743

COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1 |(-3.72,2.76,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;.3,-.77,;1.76,-1.24,;2.66,.02,;3.89,.03,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.55,4.52,;3.38,5.55,;1.86,5.34,;1.29,3.91,;-.24,3.69,;-1,4.66,;.3,.77,;-1.03,1.55,)|

BDBM50110750

CS(=O)(=O)Nc1cccc2c1[nH]cc2

BDBM50110731

COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-4.78,.91,;-3.72,2.76,;-4.79,2.14,)|

BDBM50110732

COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;6.54,-3.95,;5,-3.96,;4.22,-2.63,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)|

BDBM50110751

COc1ccc(F)cc1-c1c([nH]c2c(NS(C)(=O)=O)cccc12)-c1ccccc1 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;4.33,4.34,;5.55,4.52,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,)|

BDBM50110733

COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)|

BDBM50110734

COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12

BDBM50110735

CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1

BDBM50110736

COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12

BDBM50110789

CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1ccc(F)cc1

BDBM50114395

[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:26,t:4,23|

BDBM50114397

[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:29,t:4,27|

BDBM50112125

[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:30,t:4,27|

BDBM50114392

[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:25,t:4,23|

BDBM50122635

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@@H]1O)c1ccc(C#N)c(I)c1 |r,TLB:16:15:1.7:11|

BDBM50122636

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1C(O)=O)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122637

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1C(=O)OC(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122638

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1C(=O)N(C)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122639

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1N)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122640

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122641

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)NC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122642

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)NC(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122643

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)ON1CCN(C)CC1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122644

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(C)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122645

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122646

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1ccccc1F)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50122647

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM27660

O=c1[nH]nc(Cc2ccccc2)c2ccccc12

BDBM50122949

Cc1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122950

COc1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122951

Fc1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50183678

Clc1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122952

FC(F)(F)c1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122953

[O-][N+](=O)c1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122954

Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122957

FC(F)(F)C(=O)Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122958

CCN(CC)c1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122959

CCNc1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122960

CN(C)c1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122961

CNc1ccccc1Cc1n[nH]c(=O)c2ccccc12

BDBM50122962

Cc1cccc(C)c1Cc1n[nH]c(=O)c2ccccc12

BDBM50123006

Fc1cccc(F)c1Cc1n[nH]c(=O)c2ccccc12

BDBM50123007

Clc1cccc(Cl)c1Cc1n[nH]c(=O)c2ccccc12

BDBM50123010

Clc1ccc(Cl)c(Cc2n[nH]c(=O)c3ccccc23)c1Cl

BDBM50125086

OCCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1

BDBM50125052

C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F

BDBM50145860

Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl |r|

BDBM50145861

Cc1c(N[C@@H]2CCCC[C@@]2(C)O)ccc(C#N)c1Cl |r|

BDBM50145862

Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl |r|

BDBM50145863

Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O

BDBM50160763

CCOC(=O)C(CC)Oc1ccc2c(C)cc(=O)oc2c1

BDBM50160764

Cc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)ccc12

BDBM50160765

CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1

BDBM50180693

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccc(Cl)o1)C(F)(F)F

BDBM50180694

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccc(Cl)s1)C(F)(F)F

BDBM50180695

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccco1)C(F)(F)F

BDBM50180700

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1cocn1)C(F)(F)F

BDBM50180707

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1cscn1)C(F)(F)F

BDBM50180760

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1nccs1)C(F)(F)F

BDBM50180761

OC(c1ccc(Cl)s1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180762

OC(c1ccc(Cl)o1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180791

OC(c1nccs1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180792

OC(c1cscn1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180793

OC(c1ccco1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180795

Cc1c(Cl)c(ccc1C(O)(C#CC1CC1)C(F)(F)F)C#N

BDBM50180796

Cc1c(Cl)c(ccc1C(O)(C#CC(C)(C)C)C(F)(F)F)C#N

BDBM50180797

Cc1c(Cl)c(ccc1C(O)(CC(C)(C)C)C(F)(F)F)C#N

BDBM50180798

Cc1c(Cl)c(ccc1C(O)(C(C)(C)C)C(F)(F)F)C#N

BDBM50180799

Cc1c(Cl)c(ccc1C(O)(C1CC1)C(F)(F)F)C#N

BDBM50180800

CC(C)C(O)(c1ccc(C#N)c(Cl)c1C)C(F)(F)F

BDBM50180801

CCC(O)(c1ccc(C#N)c(Cl)c1C)C(F)(F)F

BDBM50180802

Cc1c(Cl)c(ccc1C(O)(C(F)(F)F)C(F)(F)F)C#N

BDBM50180803

CC(C)(C)CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F

BDBM50180804

CC(C)CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F

BDBM50180805

OC(C1CCC1)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F

BDBM50180806

OC(C1CC1)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F

BDBM50180807

CC(C)C(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F

BDBM50180808

CCC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F

BDBM50180809

CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F

BDBM50180810

OC(C1CCCC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM50180811

OC(C1CCC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM50180812

OC(C1CC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM50180813

CC(C)(C)C(O)(c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM50180814

CC(C)C(O)(c1ccc(C#N)c(Cl)c1)C(F)(F)F

BDBM50180815

Cc1c(C)c(ccc1C#N)C(O)(CC(C)(C)C)C(F)(F)F

BDBM50180816

Cc1c(C)c(ccc1C#N)C(O)(C1CC1)C(F)(F)F

BDBM50180817

CC(C)C(O)(c1ccc(C#N)c(C)c1C)C(F)(F)F

BDBM50180818

Cc1c(C)c(ccc1C#N)C(C)(O)C(F)(F)F

BDBM50180819

C\C=C(/C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180820

CC(=C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180821

OC(C=C)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180822

OC(C1CCC1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180823

OC(C1CC1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180824

OCC(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180825

CC(C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180826

CCC(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F

BDBM50180827

OC(c1ccc(C#N)c(c1)C(F)(F)F)(C(F)(F)F)C(F)(F)F

BDBM50180828

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C1CCC1)C(F)(F)F

BDBM50180829

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C1CC1)C(F)(F)F

BDBM50180830

CC(C)C(O)(c1ccc(C#N)c(c1C)C(F)(F)F)C(F)(F)F

BDBM50180831

Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F

BDBM50189312

CC(O)(CSc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50189313

CC(O)(CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

BDBM50199114

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCOCCC(=O)NO)c(F)c1

BDBM50199112

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=O)c(F)c1

BDBM50199122

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1

BDBM50199117

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1

BDBM50199124

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCNS(N)(=O)=O)c(F)c1

BDBM50199111

COC(=O)CCCCCCCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F

BDBM50199123

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCNS(N)(=O)=O)c(F)c1

BDBM50199119

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(\C=C\C(=O)Nc2ccccc2N)c(F)c1

BDBM50199121

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCc2ccc(s2)C(=O)C(F)(F)F)c(F)c1

BDBM50199115

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1

BDBM50199118

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1

BDBM50199116

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)c(F)c1

BDBM50199120

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCn2cccc(O)c2=O)c(F)c1

BDBM50199857

[H][C@@]12CCc3c(O)c(ccc3[C@@]1(C)CCC1=C2COC1=O)C(C)C |r,c:17|

BDBM50203153

FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1

BDBM50203419

C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|

BDBM50203417

C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|

BDBM50203420

CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NS(=O)(=O)C1CC1 |r|

BDBM50203421

C[C@H](NC(=O)CO)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |r|

BDBM50203438

C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |r|

BDBM50203422

COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r|

BDBM50203418

C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2ccccc2c1 |r|

BDBM50204240

[H][C@@]12C[C@@H](O)[C@@]([H])(C1)[C@]1([H])CN(c3ccc(C#N)c(c3)C(F)(F)F)S(=O)(=O)[C@]21C |r|

BDBM50204241

[H][C@]12CC[C@]([H])(C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|

BDBM50204242

[H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|

BDBM50204243

[H][C@]12CC[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|

BDBM50204244

[H][C@]12CC[C@]([H])(C1O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10|

BDBM50204245

[H][C@@]12C[C@@]([H])(C=C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5|

BDBM50204246

[H][C@]12CC[C@]([H])(C1)[C@]1(C(N)=O)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|

BDBM50204247

[H][C@]12C[C@H](O)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|

BDBM50204248

[H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5|

BDBM50204249

[H][C@]12CC[C@]([H])(C1=O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10|

BDBM50204250

[H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|

BDBM50204251

[H][C@]12CC[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|

BDBM50235972

CCOc1nccc2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12 |r,t:10|

BDBM50235973

CCOc1ncc(C)c2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12 |r,t:11|

BDBM50238126

C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1 |r|