SMILES for Protein kinase C epsilon type

587 SMILES Strings for Protein kinase C epsilon type

Compound Name

SMILES String

BDBM3149

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3150

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3151

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3152

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3153

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3154

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1C2CCC(C2)C1NC(=O)c1ccc(O)cc1 |THB:22:23:25.26:28,30:29:25.26:28|

BDBM3156

CN1[C@@H]2CCC1C(NC(=O)c1ccc(O)cc1)[C@H](C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |r,TLB:19:17:3.4:1,0:1:3.4:6.17.18,THB:7:6:3.4:1|

BDBM3158

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:27.28,(10.28,-8.36,;9.72,-9.8,;10.68,-11,;8.2,-10.03,;7.63,-11.46,;6.11,-11.69,;5.15,-10.49,;5.71,-9.05,;4.23,-8.64,;7.24,-8.82,;7.8,-7.39,;9.32,-7.16,;6.84,-6.18,;5.32,-6.41,;4.75,-7.85,;4.36,-5.21,;4.92,-3.78,;6.44,-3.55,;7.4,-4.75,;8.92,-4.52,;3.96,-2.57,;2.44,-2.8,;4.52,-1.14,;3.56,.06,;2.06,-.28,;.86,.68,;.86,2.22,;2.06,3.18,;2.35,2.03,;2.35,.88,;3.56,2.84,;4.23,1.45,;5.77,1.45,;6.54,2.79,;5.77,4.12,;8.08,2.79,;8.85,4.12,;10.39,4.12,;11.16,2.79,;12.7,2.79,;10.39,1.45,;8.85,1.45,)|

BDBM3159

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1

BDBM3160

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3161

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3162

CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|

BDBM50285250

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCC1NC(=O)c1ccc(O)cc1

BDBM50285251

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CNCC1NC(=O)c1ccc(O)cc1

BDBM50055675

CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|

BDBM3181

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCNC(=O)c1ccc(O)cc1

BDBM3182

c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O

BDBM3183

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1

BDBM3184

Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r|

BDBM3185

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1

BDBM3186

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|

BDBM3187

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|

BDBM3188

CS(=O)(=O)NC(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1

BDBM3189

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2ccccc2c1

BDBM3190

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccccc1

BDBM3191

CN(C)C(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1

BDBM3192

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1

BDBM3193

CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM3194

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccc(O)cc1

BDBM3196

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1

BDBM3197

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(COc1ccc(O)cc1)NS(=O)(=O)c1ccccc1

BDBM3198

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCCc1ccc(O)cc1

BDBM3199

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|

BDBM3200

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@@H]1Cc1ccc(O)cc1 |r|

BDBM3201

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|

BDBM3202

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|

BDBM3203

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|

BDBM3204

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1

BDBM3205

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|

BDBM3206

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|

BDBM3207

OC(=O)c1ccccc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3208

OC(=O)[C@H]1CCCC[C@H]1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3209

OC(=O)[C@@H]1CCCC[C@H]1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3210

OC(=O)c1cccnc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3211

Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1 |r|

BDBM3212

Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1 |r|

BDBM3213

COc1cccc(OC)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3214

OC(=O)c1cccc2oc3cc(cc(O)c3c(=O)c12)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3215

Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r|

BDBM3216

OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3217

OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3218

Cc1cc(cc(C)c1C(=O)c1c(O)cccc1C(O)=O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3219

COc1cc(cc(OC)c1C(=O)c1c(O)cccc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3220

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|

BDBM3221

OC(=O)c1ccccc1NC(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3222

OC(=O)CN(C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1)c1ccccc1 |r|

BDBM3224

OC(=O)c1cccc(O)c1-c1ccc(cc1)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3225

OC(=O)c1cccc(O)c1Cc1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3226

Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C2OC(=O)c3cccc(O)c23)c(O)c1 |r|

BDBM3227

OC(=O)c1ccc2ccccc2c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3228

Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc23)c(O)c1 |r|

BDBM3229

Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r|

BDBM3230

Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|

BDBM3231

COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3232

Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C#N)c(O)c1 |r|

BDBM3233

NCCOc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3234

OC(=O)COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3235

Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|

BDBM3239

Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[nH]2)c(O)c1 |r|

BDBM3240

Cn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3241

Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3242

Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(c(O)c1)-c1n[nH]c(=O)c2cccc(O)c12 |r,wU:14.16,wD:10.10,(17.01,-18.03,;15.69,-18.03,;14.92,-16.69,;13.38,-16.69,;12.61,-18.03,;13.38,-19.36,;14.92,-19.36,;11.01,-18.04,;10.33,-19.36,;10.22,-16.71,;8.89,-16.04,;7.43,-16.52,;6.52,-15.27,;7.43,-14.03,;8.89,-14.5,;10,-13.77,;11.63,-13.78,;12.2,-14.92,;12.37,-12.54,;11.6,-11.2,;12.37,-9.87,;11.69,-8.45,;13.91,-9.87,;14.68,-11.2,;16.15,-11.21,;13.91,-12.54,;14.58,-8.54,;13.25,-7.77,;13.25,-6.23,;14.58,-5.46,;14.58,-4.03,;15.91,-6.23,;17.25,-5.46,;18.58,-6.23,;18.58,-7.77,;17.25,-8.54,;17.23,-9.96,;15.91,-7.77,)|

BDBM3243

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3244

CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3245

CCCCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3246

CC(C)COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3247

Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)OCC2CCCCC2)c(O)c1 |r|

BDBM3248

CC(C)(C)C(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3249

CC(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3250

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1

BDBM3251

COC(=O)c1cccc(O)c1Oc1c(O)cc(cc1O)C(=O)O[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3252

COC(=O)c1cccc(O)c1Oc1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3253

CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3254

CC(C)OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM50285231

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1

BDBM2683

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|

BDBM33964

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12 |t:9|

BDBM33965

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12 |t:9|

BDBM33966

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12 |t:9|

BDBM33967

CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|

BDBM33968

CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:9|

BDBM33969

CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:15|

BDBM33970

CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:11|

BDBM33971

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|

BDBM33972

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1 |c:5|

BDBM31099

CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM17055

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

BDBM31094

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

BDBM31096

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

BDBM50092014

CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |r,c:23,t:12|

BDBM50258529

CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC |r,t:43|

BDBM102423

COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(C)=O)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(=C/C(=O)OC)[C@H](OC(C)=O)[C@@](O)(O3)C(C)(C)\C=C\[C@@H](C1)O2)[C@@H](C)O |t:52|

BDBM511480

CC1(C)O[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)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11|

BDBM511481

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)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|

BDBM511482

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)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|

BDBM511483

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)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|

BDBM511484

CC1(C)O[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)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10|

BDBM511485

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)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|

BDBM511486

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:13,t:9|

BDBM50241846

Cc1ccc(cc1)C#Cc1ccc(\C=C2/CC(CO)(COC(=O)c3cn(C)c4ccccc34)OC2=O)cc1

BDBM50241849

CC(C)C(C\C=C1\CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)C(C)C

BDBM50241850

CCCC(CCC)\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O

BDBM50241851

CCCCCCCCC\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O

BDBM50241854

[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2cn(-[#6])c3ccccc23)[#8]-[#6]-1=O

BDBM50241856

Cc1ccc(cc1)C#Cc1ccc(C=C2CC(CO)(COC(=O)c3cn(C)c4ccccc34)OC2=O)cc1

BDBM50241855

CC(C)C(C\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)C(C)C

BDBM50244449

CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1

BDBM50280745

Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCCCC3)OC2=O)c2ccccc12

BDBM50280746

Cn1cc(\C=C2\CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12

BDBM50280747

CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1

BDBM50280751

COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1

BDBM50280756

CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1

BDBM50280752

Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCC(CC3)C(C)(C)C)OC2=O)c2ccccc12 |(33.76,-11.61,;33.34,-10.13,;34.29,-8.91,;33.42,-7.64,;34.21,-6.31,;33.45,-4.98,;31.91,-4.98,;31.43,-3.51,;30.09,-4.27,;30.08,-5.81,;30.1,-2.73,;28.76,-3.49,;27.43,-2.71,;27.44,-1.17,;26.09,-3.48,;24.75,-2.69,;23.41,-3.45,;23.4,-5,;24.73,-5.78,;26.08,-5.02,;22.06,-5.75,;20.74,-4.98,;22.05,-7.29,;20.73,-6.51,;32.68,-2.6,;33.93,-3.51,;35.39,-3.04,;31.95,-8.07,;30.66,-7.25,;29.3,-7.97,;29.25,-9.51,;30.54,-10.31,;31.89,-9.6,)|

BDBM50280762

Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(ccc12)[N+]([O-])=O

BDBM50280760

Cn1cc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc12

BDBM50244481

COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1

BDBM50244974

CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1

BDBM50244975

COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1

BDBM50244473

CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1

BDBM50280759

CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1

BDBM50244643

CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1

BDBM50280768

COc1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1

BDBM50244798

COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1

BDBM50280750

CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1

BDBM50280758

OCC1(COC(=O)c2ccc(Cl)cc2)C\C(=C/c2ccc(Cl)cc2)C(=O)O1

BDBM50280754

CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1

BDBM50280769

CCCCCCC(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1

BDBM50280743

Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccc3)OC2=O)c2ccccc12

BDBM50280770

Cn1cc(\C=C\C(=O)OCC2(CO)C\C(=C/c3cn(C)c4ccccc34)C(=O)O2)c2ccccc12

BDBM50280771

CCCCn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12

BDBM50280763

CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2cn(CC3CC3)c3ccccc23)C(=O)O1

BDBM50280764

COc1ccc2n(C)cc(\C=C3/CC(CO)(COC(=O)C(C)(C)C)OC3=O)c2c1

BDBM50280766

CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2coc3ccccc23)C(=O)O1

BDBM50280755

CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2csc3ccccc23)C(=O)O1

BDBM50280767

Cn1nc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12

BDBM50244451

CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1

BDBM50280765

Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12

BDBM50280744

Cn1cc(\C=C2\CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(ccc12)[N+]([O-])=O

BDBM50280749

Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12

BDBM50280761

OCC1(COC(=O)c2ccc(Cl)cc2)C\C(=C/c2ccccn2)C(=O)O1

BDBM50244644

COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)N(C)C)C(=O)O1

BDBM50244856

COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(OC)cc3)OC2=O)cc1

BDBM50280757

COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1

BDBM50280753

CC(C)Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12

BDBM50280772

CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2coc3ccccc23)C(=O)O1

BDBM50280773

CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2csc3ccccc23)C(=O)O1

BDBM50280748

Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccn3)OC2=O)c2ccccc12

BDBM50455563

COc1ccc2CN(C(=O)c2c1)c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12

BDBM50455589

COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12

BDBM50455594

COc1cc2CNCc2cc1-n1cnc2ccc(nc12)-c1ccnc2[nH]ccc12

BDBM50455566

COc1cc2CNCc2cc1-n1cnc2cnc(cc12)-c1ccnc2[nH]ccc12

BDBM50455610

COc1cc2CNCc2cc1-c1cnn2ccc(nc12)-c1ccnc2[nH]ccc12

BDBM50455590

COc1cc2CNCc2cc1-c1cnc2ccc(cn12)-c1ccnc2[nH]ccc12

BDBM50455569

COc1cc2CCNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12

BDBM50455593

COc1cc2CC(C)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12

BDBM50455611

COc1cc2CC(CF)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12

BDBM50455570

COc1cc2CNCc2cc1-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12

BDBM50455592

COc1cc2CN(C)Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12

BDBM50455591

COc1cc2CN(Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12)C(C)=O

BDBM50455602

COc1cc2CNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12

BDBM50462709

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

BDBM50462710

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50128285

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

BDBM50463483

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

BDBM50463479

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

BDBM50463484

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

BDBM50469246

[H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5OC(F)(F)F)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3NCCO |r,TLB:5:3:34:6.31.30,THB:2:1:35.3.5:31,2:3:31:1.34.30,36:35:34:6.31.30,36:35:31:1.34.30,36:35:5.6.31:1.34.2,5:6:34:35.3.2|

BDBM50478505

CCCCCCCCCCCCCCCC[C@]1(OC)OO[C@H](CC(=O)OC)C=C1 |r,c:27|

BDBM50493217

[H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r|

BDBM2579

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50052035

O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|

BDBM50052041

CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|

BDBM50052036

O=C1NC(=O)C2=C1c1cn(CCO[C@H](CNS(=O)(=O)c3ccccc3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|

BDBM50052040

O=C1NC(=O)C2=C1c1cn(CCO[C@H](CNCc3ccccc3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|

BDBM50052037

NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|

BDBM50052038

O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|

BDBM50052034

CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|

BDBM50052039

OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|

BDBM50055665

CNC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055667

CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|

BDBM50055666

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|

BDBM50055681

OC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055685

NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055670

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCN(CC2)C[C@H]1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:31.35,(5.05,-.22,;5.83,-1.57,;7.37,-1.57,;4.73,-2.67,;3.19,-2.67,;2.43,-4.01,;3.2,-5.33,;4.73,-5.33,;3.96,-6.66,;5.5,-4.01,;7.05,-4.01,;7.82,-2.67,;7.82,-5.34,;9.36,-5.33,;10.12,-3.98,;10.13,-6.66,;9.36,-8,;7.82,-8,;7.05,-6.67,;5.95,-7.76,;10.13,-9.34,;9.36,-10.69,;11.68,-9.34,;12.44,-10.37,;11.84,-11.54,;13.1,-11.2,;13.44,-12.46,;14.69,-12.12,;13.59,-13.01,;12.38,-12.68,;14.67,-10.97,;13.71,-10.12,;14.36,-8.72,;15.9,-8.71,;16.67,-10.04,;16.66,-7.37,;18.2,-7.37,;18.97,-6.04,;18.19,-4.7,;18.95,-3.35,;16.63,-4.71,;15.88,-6.06,)|

BDBM50055673

CC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055680

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1

BDBM50055669

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCOC[C@H]1NC(=O)c1ccc(O)cc1

BDBM50055676

O[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055672

OC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055679

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F

BDBM50055674

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCSC[C@H]1NC(=O)c1ccc(O)cc1

BDBM50055678

CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055668

N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055684

OC1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055671

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1

BDBM50055677

NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055682

CC(C)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50055683

COC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50505542

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM50057511

CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO

BDBM50057510

CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1

BDBM50057514

CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23

BDBM50057509

CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1

BDBM50519662

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

BDBM50078564

CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|

BDBM50057512

CCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCC)O)C

BDBM50078563

CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|

BDBM50078562

CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|

BDBM50524298

CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1

BDBM50537742

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

BDBM50096601

CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC

BDBM50097750

CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|

BDBM50097751

CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2c1

BDBM50099064

CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1

BDBM50099066

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |r,c:33,t:22|

BDBM50099065

CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1

BDBM50099067

CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1

BDBM50128280

CCN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:12|

BDBM50128287

CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:11|

BDBM50128288

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCNCC3)c3ccccc23)c2ccccc12 |t:4|

BDBM50128289

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

BDBM50128282

CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:11|

BDBM50128283

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)C3)c3ccccc23)c2ccccc12 |t:4|

BDBM50128286

CC(C)N1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:13|

BDBM50128290

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC4CC4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM50128284

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM50128281

CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O

BDBM50132246

CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12

BDBM50132247

CCCCCCCCCCCN1[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2ccccc12

BDBM50132248

CCCCCCCCCCc1ccc2C[C@@H](CO)OC(=O)[C@H](C(C)C)N(C)c2c1

BDBM50132310

CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|

BDBM50132317

CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|

BDBM50132309

CCN1CCOCCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|

BDBM50132315

CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:11|

BDBM50132313

CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:10|

BDBM50132311

CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|

BDBM50133236

CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O

BDBM50107120

CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C

BDBM50580095

CC(C)CC(C\C=C1/CC(CO)(COc2cc(C)on2)OC1=O)CC(C)C

BDBM50185931

CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12

BDBM251460

CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F

BDBM50229772

CCCCCCn1cc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23

BDBM50229773

CCCCCCn1cc2CC[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23

BDBM174948

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

BDBM384357

C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

BDBM50256480

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

BDBM130909

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50269144

CCC(C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)\C=C\OC |r|

BDBM50269148

CO[C@H](C)c1c(O)cc2C(=O)c3cc(O)c(O)c(O)c3C(=O)c2c1O |r|

BDBM50269147

CO[C@H](C)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O |r|

BDBM50269146

C[C@@H](O)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O |r|

BDBM50269145

CCC(C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)\C=C\N(c1ccccc1)c1ccc2ccccc2c1 |r|

BDBM50229961

CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12

BDBM50059889

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

BDBM50263132

Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12

BDBM50255367

COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50249959

[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O

BDBM50249958

[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O

BDBM50249884

[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O

BDBM50249885

[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O

BDBM50258822

CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

BDBM50282633

CN(C)C[C@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 |t:12|

BDBM50282632

CN1C[C@@H]2Cc3c(C4=C(C(=O)NC4=O)c4cn(C)c5ccccc45)c4ccccc4n3C[C@H]2C1 |r,t:7|

BDBM50284330

NC(=N)SCCCn1c(-c2cc3ccccc3s2)c(C2=CC(=O)NC2=O)c2ccccc12 |t:21|

BDBM50284983

CC(C)(C)C(=O)OCn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1

BDBM3237

Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NC(=O)C(F)(F)F)c(O)c1 |r|

BDBM50284982

CC(C)(C)C(=O)OCn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1

BDBM3236

CS(=O)(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM3238

CC(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

BDBM50450311

CN([C@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1)C(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |r|

BDBM50285087

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1

BDBM50285090

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1

BDBM50285092

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1

BDBM50285088

C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50285089

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1

BDBM50285235

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@@H]1NC(=O)c1ccc(O)cc1

BDBM50285236

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(O)cc1

BDBM50285234

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCSC[C@@H]1NC(=O)c1ccc(O)cc1

BDBM50285232

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1

BDBM50285233

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCOC[C@@H]1NC(=O)c1ccc(O)cc1

BDBM50289211

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1

BDBM50289208

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1

BDBM50289209

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1

BDBM50289210

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@@H]1NC(=O)c1ccc(O)cc1

BDBM50289207

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1

BDBM50103962

CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|

BDBM23207

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

BDBM50292434

COC(=O)COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r|

BDBM50103967

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|

BDBM50292432

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|

BDBM50292435

C\C=C\C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r|

BDBM50292433

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|

BDBM50292431

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|

BDBM50002692

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

BDBM50295902

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|

BDBM50295903

Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|

BDBM50295904

O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|

BDBM50301686

CN1CCN(Cc2ccc(o2)-c2cccc(C#C)c2Cc2ccc3CC=Cc3c2C)CC1 |c:27|

BDBM50302507

CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1

BDBM50311953

CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

BDBM50311954

CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

BDBM50313569

CN1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1

BDBM14029

C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:3.2,1.1,wD:6.9,(3.37,.47,;2.6,-.86,;3.37,-2.2,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,)|

BDBM50319632

Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1

BDBM50319633

NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1

BDBM50319634

CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1

BDBM50319635

Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1

BDBM50319636

CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1

BDBM50319637

Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1

BDBM14027

c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50308060

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

BDBM50300690

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

BDBM13535

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

BDBM16673

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

BDBM4814

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

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM50327943

CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cc(O)ccc1Br |r|

BDBM50327944

CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r|

BDBM50327945

OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|

BDBM50327946

CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2 |r|

BDBM50348877

CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM13530

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

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM50355496

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

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM50306682

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

BDBM27817

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

BDBM26300

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

BDBM31085

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

BDBM25121

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

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM21079

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

BDBM25084

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

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM31093

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

BDBM25013

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

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM50193995

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

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM13216

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

BDBM50309910

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

BDBM50184807

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

BDBM25118

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

BDBM31088

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

BDBM50355500

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

BDBM5931

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

BDBM50132260

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

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM24654

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

BDBM25617

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

BDBM50161957

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

BDBM50355504

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

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM31095

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

BDBM5655

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

BDBM24773

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

BDBM4779

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM36409

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

BDBM50331096

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

BDBM50355494

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

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM50355499

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

BDBM15138

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

BDBM25628

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

BDBM5445

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

BDBM13534

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

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM26474

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

BDBM13533

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

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM25028

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

BDBM32362

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

BDBM13336

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

BDBM50237710

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

BDBM50163748

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O

BDBM50357492

CCCCOc1ccc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n[nH]2)cc1OC |w:10.10,15.15|

BDBM50163745

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O

BDBM50357493

CCCCOc1ccc(\C=C\c2cc(\C=C\c3ccc(OCCCC)c(OC)c3)on2)cc1OC

BDBM50285237

O[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50285240

N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50285238

OC[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50285241

NC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50366386

O[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50285239

OC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50285242

NC[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

BDBM50092015

CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23

BDBM50153453

CN(C)CCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:10|

BDBM50153455

O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCN2CCCCC2)c2ccccc12 |c:5|

BDBM50153457

CN1CCN(CCCn2cc(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc23)CC1 |c:11|

BDBM50153458

CN(C)CCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:8|

BDBM50153462

OCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:7|

BDBM50153461

O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|

BDBM50153465

NC(=N)SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:10|

BDBM50153450

O=C1NC(=O)C(=C1Nc1ccccc1)c1c[nH]c2ccccc12 |c:5|

BDBM50153451

CN(C)CCCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:11|

BDBM50153452

CN(C)CCCn1cc(C2=C(Nc3cccc(C)c3)C(=O)NC2=O)c2ccccc12 |c:9|

BDBM50153466

O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCN2CCCC2)c2ccccc12 |c:5|

BDBM2583

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|

BDBM50153448

CN(C)CCCn1cc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)c2ccccc12 |c:9|

BDBM50153463

CN(C)CCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:9|

BDBM50192071

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

BDBM50374189

CC(C)[C@@H]1N(C)c2ccc3c(C)nn4cc(C[C@@H](CO)NC1=O)c2c34

BDBM50374190

CC(C)[C@@H]1N(C)c2ccc3cnn4cc(C[C@@H](CO)NC1=O)c2c34

BDBM50374191

CC(C)[C@@H]1N(C)c2ccc3c(nn4cc(C[C@@H](CO)NC1=O)c2c34)C(F)(F)F

BDBM50249319

NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1

BDBM50375647

Cn1cc(C2=C(C(=O)NC2=O)c2ccc3cc4CC(CN)CCn4c3c2)c2ccccc12 |t:4|

BDBM50375658

COCc1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1COC |(-1.31,-4.95,;-1.3,-3.75,;-0,-3,;,-1.5,;-1.3,-.75,;-1.3,.75,;-2.34,1.35,;,1.5,;,2.7,;1.3,.75,;2.34,1.35,;1.3,-.75,;2.6,-1.5,;3.9,-.75,;3.9,.45,;5.2,-1.5,;6.24,-.91,;5.19,-3,;6.23,-3.61,;3.89,-3.75,;2.6,-3,;1.3,-3.75,;1.3,-5.25,;.26,-5.85,)|

BDBM25524

C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5

BDBM50375660

COCc1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1COC |(4.67,-43.17,;3.33,-43.94,;3.33,-45.48,;2.01,-46.25,;.67,-45.48,;-.67,-46.25,;-2,-45.48,;-.67,-47.79,;-2,-48.56,;.67,-48.56,;.67,-50.1,;2.01,-47.79,;3.33,-48.56,;4.67,-47.79,;4.67,-46.25,;6,-48.56,;7.34,-47.79,;6,-50.1,;7.34,-50.87,;4.67,-50.87,;3.33,-50.1,;2.01,-50.87,;2.01,-52.41,;.67,-53.18,)|

BDBM50239328

CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM27216

CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

BDBM7478

CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM31090

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

BDBM6866

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM7533

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

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM50302042

CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

BDBM50067040

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|

BDBM50067030

Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O |w:5.4,13.13|

BDBM50307103

CCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC |w:21.21,14.14|

BDBM50307104

CCCCCCCCCCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC |w:22.22,29.29|

BDBM50015677

CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r|

BDBM50307105

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC

BDBM50308861

CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C#N)c2)cc1

BDBM50308862

O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N

BDBM50308897

O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1ccc(cc1)C#N

BDBM50308894

O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1cccc(c1)C#N

BDBM50308866

COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1

BDBM50308900

COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1

BDBM50308871

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1

BDBM50308875

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1

BDBM50308876

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1

BDBM50308872

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1

BDBM50308877

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCNCC1

BDBM50308898

NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1

BDBM50319716

Clc1ccc(cc1)[C@@H]1CNC[C@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|

BDBM50379081

CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|

BDBM50387330

CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|

BDBM50389975

Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16|

BDBM50391386

CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 |r|

BDBM50391387

C[C@@H]1CC(C)(C)[C@@]23C[C@@H](C[C@@H](CCCCc4cccc(O)c4)O2)OC(=O)C[C@H](CO)OC(=O)C[C@@H]1O3 |r|

BDBM50391388

C[C@@H]1[C@@H](CCCCc2cccc(O)c2)O[C@]23C[C@@H]1OC(=O)C[C@H](CO)OC(=O)C[C@@H](CCC2(C)C)O3 |r|

BDBM50324316

NCCNc1nc(cc2cnccc12)-c1ccncc1

BDBM50391892

NCCNc1nc(cc2ccccc12)-c1ccncc1

BDBM50391893

NCCNc1nc(cc2ncccc12)-c1ccncc1

BDBM50391891

NCCNc1nc(cc2ccncc12)-c1ccncc1

BDBM50391894

NCCNc1cc(cc2cnccc12)-c1ccncc1

BDBM50391895

NCCNc1nc(nc2cnccc12)-c1ccncc1

BDBM50391896

NCCOc1nc(cc2cnccc12)-c1ccncc1

BDBM50391897

C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|

BDBM50391898

CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1

BDBM50391899

NC(CNc1nc(cc2cnccc12)-c1ccncc1)Cc1ccccc1

BDBM50391900

CN(CCN)c1nc(cc2cnccc12)-c1ccncc1

BDBM50391901

CNCCNc1nc(cc2cnccc12)-c1ccncc1

BDBM50324319

C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1

BDBM50391902

C1CNCCN(C1)c1nc(cc2cnccc12)-c1ccncc1

BDBM50391903

NC1CCCN(C1)c1nc(cc2cnccc12)-c1ccncc1

BDBM50391904

NCCCNc1nc(cc2cnccc12)-c1ccncc1

BDBM50391905

OCCNc1nc(cc2cnccc12)-c1ccncc1

BDBM50391906

O=C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1

BDBM50391907

CC(C)(N)CNc1nc(cc2cnccc12)-c1cccnc1

BDBM50391908

CC(C)(N)CNc1nc(cc2cnccc12)-c1ccnc(N)c1

BDBM50391909

CC(C)Nc1cc(ccn1)-c1cc2cnccc2c(NCC(C)(C)N)n1

BDBM50391910

CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1F

BDBM50391911

CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1Cl

BDBM50391912

Cc1cnccc1-c1cc2cnccc2c(NCC(C)(C)N)n1

BDBM50393109

Nc1nc2c(nccc2[nH]1)-c1ccccn1

BDBM50393214

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|

BDBM50393215

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc2n1 |t:11|

BDBM50393216

CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6|

BDBM50393217

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c(C)[nH]c3ccccc23)c2ccccc2n1 |t:11|

BDBM50393218

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5|

BDBM50393219

Cn1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCNCC2)c2ccccc12 |t:4|

BDBM50393221

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2n1 |t:11|

BDBM50393222

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Cl)cc23)c2ccccc2n1 |t:11|

BDBM50393223

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3cc(Cl)ccc23)c2ccccc2n1 |t:11|

BDBM50393224

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|

BDBM50393225

CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|

BDBM50393226

CN1CCN(CC1)c1cc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:20|

BDBM50393227

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2c(C)cccc2n1 |t:11|

BDBM50393228

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(F)ccc2n1 |t:11|

BDBM50393229

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(Cl)ccc2n1 |t:11|

BDBM50393230

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(C)ccc2n1 |t:11|

BDBM50393231

CC(C)c1ccc2nc(nc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1)N1CCN(C)CC1 |t:11|

BDBM50393232

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(ccc2n1)C(C)(C)C |t:11|

BDBM50393233

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccc(F)cc2n1 |t:11|

BDBM50393234

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccc(Cl)cc2n1 |t:11|

BDBM50393220

CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cccc(C)c2n1 |t:11|

BDBM50395892

Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1

BDBM50417843

O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|

BDBM50417844

c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3

BDBM50427363

CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50012919

CC(=O)c1cccc(NC(=O)c2sc3nc4cc5OCCOc5cc4cc3c2N)c1

BDBM50012920

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

BDBM50012921

CCOc1ccc2nc(NC(=O)c3sc4nc5cc(OC)ccc5cc4c3N)sc2c1

BDBM50012930

O=C1NC(=O)\C(=C\c2ccc3OCOc3c2)C(=O)N1Cc1ccccc1

BDBM50012948

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|

BDBM50017889

CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3n(C)ccc23)C(=O)O1

BDBM50017890

CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1

BDBM50017891

CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1

BDBM50017892

CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1

BDBM50046071

OCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046088

CCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046089

FCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046091

FC(F)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046092

COCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046093

CC(=O)OCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046094

NCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046066

CC(=O)NCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046069

CS(=O)(=O)NCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046095

C[C@@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|

BDBM50046096

C[C@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|

BDBM50046097

OC(Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F)C1CC1

BDBM50046098

CCC(O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046099

CC(C)C(O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046100

OC(Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F)C(F)(F)F

BDBM50046101

OC(=O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046102

OCC(O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50046058

OC[C@@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|

BDBM50046059

OC[C@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|

BDBM50046103

COCC(O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F

BDBM50049439

C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|

BDBM50049437

C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|

BDBM50216860

CC(C)C\C=C1\CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O |w:7.9|

BDBM50059676

CC(C)C\C=C1/CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O

BDBM50059677

CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1

BDBM50059713

CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1

BDBM50059716

CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1

BDBM50059760

CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1

BDBM50059675

CCCCC\C=C/C\C=C/CCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O

BDBM50059762

CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1

BDBM50059765

CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1

BDBM50059769

CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1

BDBM50059775

CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1

BDBM50059779

CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1

BDBM50059780

CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1

BDBM50059781

CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1

BDBM50059784

CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1

BDBM50059673

CCCCC\C=C/C\C=C/CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O

BDBM50059671

CCCCCC1CC1CC1CC1CCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O

BDBM50059670

CCCCCC1CC1CC1CC1CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O

BDBM50059669

CCCCCCCCCCCCCCCCC\C=C1/CC(=O)OC1(CO)COC(=O)C(C)(C)C

BDBM50059668

CCCCCCCCCCCCCCCCC\C=C1\CC(=O)OC1(CO)COC(=O)C(C)(C)C

BDBM50135286

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

BDBM50235278

Cn1cc(C2=C(C(=O)NC2=O)c2cccc3ccc(CN)cc23)c2ccccc12 |t:4|

BDBM50235279

Cn1cc(C2=C(C(=O)NC2=O)c2cccc3cc(CN)ccc23)c2ccccc12 |t:4|

BDBM50235280

Cc1ccc2ccc(CN)cc2c1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:15|

BDBM50235281

Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|

BDBM50235282

CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|

BDBM50235283

CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:13|

BDBM50235284

CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c(Cl)ccc2c1 |t:9|

BDBM50235285

COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|

BDBM50235286

CC(C)NCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:14|

BDBM50235287

Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN4CCC4)cc23)c2ccccc12 |t:4|

BDBM50235276

CN(Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1)C(C)=O |t:12|

BDBM50235277

CN(Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1)C1CC1 |t:12|

BDBM50235291

NCc1ccc2cccc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:10|

BDBM50235289

Cc1ccc2ccc(CN)cc2c1C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:15|

BDBM50235292

CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1 |t:9|

BDBM50235288

CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|

BDBM50235290

CN1CCN(Cc2ccc3ccc(Cl)c(C4=C(C(=O)NC4=O)c4cn(C)c5ccccc45)c3c2)CC1 |t:15|