SMILES for Cytochrome P450 4F2

OC(=O)C1CC(CCOc2ccc(nc2)-c2ccn[nH]2)C1 |(-8.16,-.61,;-6.83,.16,;-6.83,1.7,;-5.5,-.61,;-4.01,-.21,;-3.61,-1.7,;-2.28,-2.47,;-.94,-1.7,;.39,-2.47,;1.72,-1.7,;3.06,-2.47,;4.39,-1.7,;4.39,-.16,;3.06,.61,;1.72,-.16,;5.73,.61,;7.13,-.01,;8.16,1.13,;7.39,2.47,;5.89,2.15,;-5.1,-2.09,)|

BDBM558122

OC(=O)C1CC1CCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558124

OC(=O)C1CCCC(CCCOc2ccc(nc2)-c2ccn[nH]2)C1

BDBM558125

OC(=O)C12CCC(CCCOc3ccc(nc3)-c3ccn[nH]3)(CC1)CC2

BDBM558126

CC(C)(CC(=O)N1CCC(CCCOc2ccc(nc2)-c2ccn[nH]2)CC1)C(O)=O

BDBM558127

CC(C)(CC(=O)N1CCCC(CCCOc2ccc(nc2)-c2ccn[nH]2)C1)C(O)=O

BDBM558128

OC(=O)C1(CCCCOc2ccc(nc2)-c2ccn[nH]2)CCC1

BDBM558129

OC(=O)C1(CCCCOc2ccc(nc2)-c2ccn[nH]2)CCCC1

BDBM558130

OC(=O)C1(CCCCOc2ccc(nc2)-c2ccn[nH]2)CCCCC1

BDBM558131

CC(C)(Oc1cccc(CCCCOc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558132

OC(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|

BDBM558133

CC(C)(CCc1cc(COc2ccc(nc2)-c2ccn[nH]2)ccn1)C(O)=O

BDBM558134

CC(C)(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)n1)C(O)=O

BDBM558135

OC(=O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccn1

BDBM558136

OC(=O)c1cc(COc2ccc(nc2)-c2n[nH]cc2Cl)ccn1

BDBM558137

OC(=O)C1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1 |(-7.89,-2.08,;-6.55,-2.85,;-6.55,-4.39,;-5.22,-2.08,;-3.89,-2.85,;-2.55,-2.08,;-2.55,-.54,;-1.22,.23,;.11,-.54,;1.45,.23,;2.78,-.54,;4.12,.23,;4.12,1.77,;2.78,2.54,;1.45,1.77,;5.45,2.54,;6.86,1.91,;7.89,3.06,;7.12,4.39,;5.61,4.07,;-3.89,.23,;-5.22,-.54,)|

BDBM558138

CC(C)(CCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558139

OC(=O)C1(CCCCCCOc2ccc(nc2)-c2ccn[nH]2)CCCCC1

BDBM558140

OC(=O)C1(CCCCCCCOc2ccc(nc2)-c2ccn[nH]2)CCCC1

BDBM558141

OC(=O)C1(CCCCCCOc2ccc(nc2)-c2ccn[nH]2)CCCC1

BDBM558142

OC(=O)CCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558143

OC(=O)CCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558145

OC(=O)[C@@H]1CC[C@H](COc2ccc(nc2)-c2ccn[nH]2)CC1 |r,wD:6.6,3.2,(-7.89,-2.08,;-6.55,-2.85,;-6.55,-4.39,;-5.22,-2.08,;-5.22,-.54,;-3.89,.23,;-2.55,-.54,;-1.22,.23,;.11,-.54,;1.45,.23,;2.78,-.54,;4.12,.23,;4.12,1.77,;2.78,2.54,;1.45,1.77,;5.45,2.54,;6.86,1.91,;7.89,3.06,;7.12,4.39,;5.61,4.07,;-2.55,-2.08,;-3.89,-2.85,)|

BDBM558146

OC(=O)CCCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558147

OC(=O)CCCCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558148

OC(=O)C12CC(CCCCCCOc3ccc(nc3)-c3ccn[nH]3)(C1)C2

BDBM558149

OC(=O)C1CCCC(COc2ccc(nc2)-c2ccn[nH]2)C1

BDBM558150

OC(=O)C12CC(CCCOc3ccc(nc3)-c3ccn[nH]3)(C1)CCC2 |(-9.22,-1.31,;-7.89,-.54,;-7.89,1,;-6.55,-1.31,;-5.22,-.54,;-3.89,-1.31,;-2.55,-.54,;-1.22,-1.31,;.11,-.54,;1.45,-1.31,;2.78,-.54,;4.12,-1.31,;5.45,-.54,;5.45,1,;4.12,1.77,;2.78,1,;6.78,1.77,;8.19,1.14,;9.22,2.29,;8.45,3.62,;6.94,3.3,;-5.22,-2.08,;-3.89,-2.85,;-5.22,-3.62,;-6.55,-2.85,)|

BDBM558151

OC(=O)C1CCc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2C1

BDBM558152

CC(C)(COCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558153

OC(=O)Cn1ccc(cc1=O)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558154

CC(C)(CCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558155

CC(C)(CCCOc1ccc(nc1)-c1ccn[nH]1)CC(O)=O

BDBM558156

CC(C)(CCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558157

CC(C)(CCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558158

CC(C)(CCCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558159

CCC(CC)(CCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558160

COc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1C(O)=O

BDBM558161

CC(C)(Oc1cccc(COc2ccc(nc2)-c2ccn[nH]2)n1)C(O)=O

BDBM558162

CC(C)(OCCOCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558163

OC(=O)C1COc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2C1

BDBM558164

OC(=O)C1CCc2cc(COc3ccc(nc3)-c3ccn[nH]3)ccc2O1

BDBM558165

OC(=O)C1CCc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2O1

BDBM558166

OC(=O)[C@@]12CC3C[C@@H](C1)[C@@H](COc1ccc(nc1)-c1ccn[nH]1)[C@H](C3)C2 |r,TLB:8:3:9.7.6:24,4:3:9:6.24.5,THB:1:3:9:6.24.5,1:3:9.7.6:24|

BDBM558167

OC(=O)[C@@]12CC3C[C@@H](C1)[C@H](COc1ccc(nc1)-c1ccn[nH]1)[C@H](C3)C2 |r,TLB:8:3:9.7.6:24,4:3:9:6.24.5,THB:1:3:9:6.24.5,1:3:9.7.6:24|

BDBM558168

OC(=O)C1(CCCC1)OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558169

OC(=O)C1(CCCC1)OCCOCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558170

OC(=O)CCc1ccccc1CCOc1ccc(nc1)-c1ccn[nH]1

BDBM558171

OC(=O)CCC1CCCC(COc2ccc(nc2)-c2ccn[nH]2)C1

BDBM558172

OC(=O)CCC12CCC(COc3ccc(nc3)-c3ccn[nH]3)(CC1)CC2

BDBM558173

OC(=O)C1(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)CCOCC1

BDBM558174

OC(=O)C1(CCCC(=O)N2CCC[C@@H](COc3ccc(nc3)-c3ccn[nH]3)C2)CCCC1 |r|

BDBM558175

OC(=O)C1(CCC(=O)N2CCC(CCOc3ccc(nc3)-c3ccn[nH]3)CC2)CCCC1

BDBM558176

OC(=O)C1(CCC(=O)N2CCCC(CCOc3ccc(nc3)-c3ccn[nH]3)C2)CCCC1

BDBM558177

CC(=O)N1CCC(CCCCCCOc2ccc(nc2)-c2ccn[nH]2)(CC1)C(O)=O

BDBM558178

CC(=O)N1CCC(CCCCCCOc2ccc(nc2)-c2ccn[nH]2)(C1)C(O)=O

BDBM558179

OC(=O)C1(CCCCCCOc2ccc(nc2)-c2ccn[nH]2)CCS(=O)(=O)CC1

BDBM558180

CC(=O)N1CCC(CCCCCCCOc2ccc(nc2)-c2ccn[nH]2)(CC1)C(O)=O

BDBM558181

OC(=O)C1(CCCC1)C(=O)NCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558182

CN(CCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(=O)C1(CCCC1)C(O)=O

BDBM558183

OCCS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558184

OC(=O)CCCc1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558185

C(Oc1ccc(nc1)-c1ccnn1C1CCCCO1)[C@@H]1CCCNC1 |r|

BDBM558186

OC(=O)c1ccc2CCC(COc3ccc(nc3)-c3ccn[nH]3)Cc2c1

BDBM558187

OC(=O)c1ccc2CCCC(CCOc3ccc(nc3)-c3ccn[nH]3)c2c1

BDBM558188

CC(=O)N1CCC(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)(CC1)C(O)=O

BDBM558189

CC(C)(CCOc1ccc(nc1)-c1ccn[nH]1)CCC(O)=O

BDBM558190

OC(=O)[C@H]1CC[C@H](CC1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r,wU:6.9,3.2,(-9.89,1,;-8.55,1.77,;-8.55,3.31,;-7.22,1,;-5.89,1.77,;-4.55,1,;-4.55,-.54,;-5.89,-1.31,;-7.22,-.54,;-3.22,-1.31,;-3.22,-2.85,;-1.89,-3.62,;-.55,-2.85,;-.55,-1.31,;.78,-.54,;2.12,-1.31,;3.45,-.54,;4.78,-1.31,;6.12,-.54,;6.12,1,;4.78,1.77,;3.45,1,;7.45,1.77,;8.86,1.14,;9.89,2.29,;9.12,3.62,;7.61,3.3,;-1.89,-.54,)|

BDBM558191

OC(=O)[C@H]1CC[C@@H](CC1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r,wU:6.9,wD:3.2,(-9.89,1,;-8.55,1.77,;-8.55,3.31,;-7.22,1,;-7.22,-.54,;-5.89,-1.31,;-4.55,-.54,;-4.55,1,;-5.89,1.77,;-3.22,-1.31,;-3.22,-2.85,;-1.89,-3.62,;-.55,-2.85,;-.55,-1.31,;.78,-.54,;2.12,-1.31,;3.45,-.54,;4.78,-1.31,;6.12,-.54,;6.12,1,;4.78,1.77,;3.45,1,;7.45,1.77,;8.86,1.14,;9.89,2.29,;9.12,3.62,;7.61,3.3,;-1.89,-.54,)|

BDBM558192

Ic1cccc(COc2ccc(nc2)-c2ccnn2C2CCCCO2)c1

BDBM558193

OC(=O)c1ccccc1-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558194

CC(C)(C(O)=O)c1cccc(c1)S(=O)(=O)CCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558195

CC(C)(CCN1CCc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2C1=O)C(O)=O

BDBM558196

OC(=O)CCc1ccc(CCCOc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558197

OC(=O)Cc1ccc(CCCOc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558198

OC(=O)COc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558199

OC(=O)c1ccnc(c1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558200

OC(=O)c1cc(ccn1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558201

OC(=O)Cn1cc(CCCCOc2ccc(nc2)-c2ccn[nH]2)cn1

BDBM558202

CC(C)(C(O)=O)n1cc(CCCCOc2ccc(nc2)-c2ccn[nH]2)cn1

BDBM558203

CC(C)(C(O)=O)n1ccc(CCCCOc2ccc(nc2)-c2ccn[nH]2)n1

BDBM558204

OC(=O)Cn1ccc(CCCCOc2ccc(nc2)-c2ccn[nH]2)cc1=O

BDBM558205

OC(=O)Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)n1

BDBM558206

OC(=O)C12CC(COc3ccc(nc3)-c3ccn[nH]3)(C1)C2

BDBM558207

OC(=O)C12CCC(COc3ccc(nc3)-c3ccn[nH]3)(CC1)CC2

BDBM558209

C[Si](C)(C)OC1(CNC1)c1cccc(COc2ccc(nc2)-c2ccnn2C2CCCCO2)c1

BDBM558210

CC(C)(OCCCOCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558211

OC(=O)Cn1cc(cn1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558212

OC(=O)CCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558213

OC(=O)c1cccc(COc2ccc(nc2)-c2ccnn2C2CCCCO2)n1

BDBM558214

Oc1cc(CCCOc2ccc(nc2)-c2ccn[nH]2)cc(F)c1F

BDBM558215

Oc1cccc(CCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558216

CCOC(=O)c1cc(CBr)ccc1Cl

BDBM558217

NS(=O)(=O)CCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558218

Cc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1O

BDBM558219

Oc1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1F

BDBM558220

Oc1cc(F)cc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558221

Oc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558222

Oc1ccccc1CCOc1ccc(nc1)-c1ccn[nH]1

BDBM558223

COC(=O)c1ncc(cn1)-c1cccc(CBr)c1

BDBM558224

OC(=O)CCS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558225

CC(C)(OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558226

COC(=O)Cc1ccc(CCO)cc1

BDBM558227

OC(=O)c1cnn(CCCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558228

OC(=O)Cn1ncc2cc(COc3ccc(nc3)-c3ccn[nH]3)ccc12

BDBM558229

CC(C)(C(O)=O)C(=O)N1CCc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2C1

BDBM558230

OC(=O)c1cccc(n1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558231

OC(=O)c1ccc(nc1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558232

OC(=O)c1cncc(n1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558233

OC(=O)c1cnc(cn1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558234

CC(C)(Oc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558235

OC(=O)c1cccc(OCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558236

CS(=O)(=O)NCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558237

CS(=O)(=O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1O

BDBM558238

COC(=O)c1cccc(CCO)c1

BDBM558239

OC(=O)Cc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558240

OC(=O)Cc1ccccc1COc1ccc(nc1)-c1ccn[nH]1

BDBM558241

OC(=O)C1(CC1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558242

CC(C)(CCNS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558243

CN(CCC(C)(C)C(O)=O)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558244

OC(=O)\C=C\c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558245

OC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558246

OC(=O)Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558247

OC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558248

OC(=O)c1cnc(nc1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558249

OC(=O)c1ccnc(n1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558250

OC(=O)c1ncc(cn1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558251

OC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558252

OC(=O)C1CCCN(C1)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558253

OC(=O)C1CCN(C1)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558254

OC(=O)C1(F)CCN(C1)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558255

OC(=O)C1CN(CCO1)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558256

CC(C)(Oc1cc(COc2ccc(nc2)-c2ccn[nH]2)ccn1)C(O)=O

BDBM558257

CC(C)(COc1cc(COc2ccc(nc2)-c2ccn[nH]2)ccn1)C(O)=O

BDBM558258

OC(=O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1F

BDBM558259

OC(=O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1Cl

BDBM558260

COc1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1C(O)=O

BDBM558261

OC(=O)c1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1F

BDBM558262

OC(=O)Cc1cccc(OCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558263

OC(=O)CCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558264

CNS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558265

CC(=O)Oc1cc(CO)ccc1F

BDBM558266

CC(=O)Oc1cc(F)cc(CO)c1

BDBM558267

OCc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558268

OCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558269

Fc1ccc(NS(=O)(=O)c2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2)cc1

BDBM558270

CC(C(=O)[Na]O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558271

OCCc1cccc(OCc2ccccc2)c1

BDBM558272

CC(C)(C(O)=O)c1cccc(OCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558273

Cc1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1C(O)=O

BDBM558274

OC(=O)C1CC1c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558277

CC(C)(O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558278

CC(O)(c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(F)(F)F

BDBM558279

OC1(CCC1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558280

OC1(CCCC1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558281

CC(C)(O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1F

BDBM558282

OC(=O)[C@H]1C[C@@](O)(C1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r,wD:3.2,5.5,(-9.57,-1.19,;-8.24,-1.96,;-8.24,-3.5,;-6.9,-1.19,;-5.57,-1.96,;-4.8,-.62,;-4.8,.92,;-6.13,.15,;-3.47,-1.39,;-3.47,-2.93,;-2.13,-3.7,;-.8,-2.93,;-.8,-1.39,;.53,-.62,;1.87,-1.39,;3.2,-.62,;4.53,-1.39,;5.87,-.62,;5.87,.92,;4.53,1.69,;3.2,.92,;7.2,1.69,;8.67,1.21,;9.57,2.46,;8.67,3.7,;7.2,3.23,;-2.13,-.62,)|

BDBM558283

OC(=O)[C@H]1C[C@@](O)(C1)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1F |r,wD:5.5,3.2,(-9.46,-1.55,;-8.13,-2.32,;-8.13,-3.86,;-6.8,-1.55,;-5.31,-1.95,;-4.91,-.46,;-4.91,1.08,;-6.4,-.06,;-3.58,-1.23,;-2.24,-.46,;-.91,-1.23,;.43,-.46,;1.76,-1.23,;3.09,-.46,;4.43,-1.23,;5.76,-.46,;5.76,1.08,;4.43,1.85,;3.09,1.08,;7.09,1.85,;8.56,1.37,;9.46,2.62,;8.56,3.86,;7.09,3.39,;-.91,-2.77,;-2.24,-3.54,;-3.58,-2.77,;-4.91,-3.54,)|

BDBM558284

OC(=O)c1cccc(CCCOc2ccc(nc2)-c2ccn[nH]2)n1

BDBM558285

OC(=O)c1ccnc(CCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558286

OC(=O)c1ncc(CCCCOc2ccc(nc2)-c2ccn[nH]2)cn1

BDBM558287

OC(=O)c1ccc(CCCCOc2ccc(nc2)-c2ccn[nH]2)cn1

BDBM558288

OC(=O)c1cccc(CCCCOc2ccc(nc2)-c2ccn[nH]2)n1

BDBM558289

OC(=O)CCCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558290

CC(=O)N1CCC(CCCCCCO)(C1)C(=O)OC(C)(C)C

BDBM558291

OC(=O)CCc1cccc(CCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558292

OC(=O)CCCc1cccc(CCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558293

OC(=O)CCCc1ccc(CCCOc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558294

OC(=O)c1cccc(c1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558295

OC(=O)c1ccc(cc1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558296

OC(=O)c1ccc(cn1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558297

OC(=O)c1cncc(c1)-c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558298

OC(=O)Cc1cccc(CCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558299

CC(C)(C(O)=O)c1cccc(CCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558300

CC(=O)N1CCC(CC1)(C(O)=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558301

CCOC(=O)C(CC)(CC)CCCCO

BDBM558302

OC(=O)C1CCN(CC1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558303

CCOC(=O)C(C)(C)CCCCCCO

BDBM558304

COC(=O)C1(CCCCCCO)CCCC1

BDBM558305

OC(=O)Cn1cc(CCCOc2ccc(nc2)-c2ccn[nH]2)nn1

BDBM558306

OC(=O)Cn1cc(CCCCOc2ccc(nc2)-c2ccn[nH]2)nn1

BDBM558307

CC(C)(C(O)=O)n1cc(CCCCOc2ccc(nc2)-c2ccn[nH]2)nn1

BDBM558308

CC(C)(O)CS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558309

CC(C)(CCCS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558310

OC(=O)CCc1cccc(COc2cnc(-c3ccn[nH]3)c(F)c2)c1

BDBM558311

CCOC(=O)C(C)(C)OCCCCOCCCCO

BDBM558312

Cc1cn[nH]c1-c1ccc(OCC23CCC(CC2)(CC3)C(O)=O)cn1

BDBM558313

OC(=O)Cc1cccc(COc2ccc(nc2)-c2ccns2)c1

BDBM558314

OC(=O)C12CCC(COc3ccc(nc3)-c3ccns3)(CC1)CC2

BDBM558315

OC(=O)Cc1cccc(COc2ccc(nc2)-c2cnco2)c1

BDBM558316

CC(C)OC(=O)c1ccc(CCO)cc1

BDBM558317

O=C(N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1)c1cccc(c1)S(=O)=O |r|

BDBM558318

COC(=O)C\C=C\c1cccc(CCO)c1

BDBM558319

COC(=O)C\C=C\c1ccc(CCO)cc1

BDBM558320

O=C(N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1)c1cccc(=O)[nH]1 |r|

BDBM558321

CCS(=O)(=O)NCC(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|

BDBM558322

NS(=O)(=O)CCCC(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|

BDBM558323

CNC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558324

CCCNC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558325

OCCNC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558326

CNC(=O)Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558327

CN(C)C(=O)Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558328

CCCNC(=O)Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558329

OCCNC(=O)Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558330

CNC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558331

CN(C)C(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558332

CCCNC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558333

OCCNC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558334

O=C(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)N1CCC1

BDBM558335

O=C(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)N1CCCC1

BDBM558336

O=C(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)N1CCCCC1

BDBM558337

O=C(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)N1CCOCC1

BDBM558338

CN(C)C(=O)\C=C\c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558339

Fc1cc(OCc2cccc(CCC(=O)N3CCC3)c2)cnc1-c1ccn[nH]1

BDBM558340

OCCNC(=O)CCc1cccc(COc2cnc(-c3ccn[nH]3)c(F)c2)c1

BDBM558341

OC1CN(C1)C(=O)CCc1cccc(COc2cnc(-c3ccn[nH]3)c(F)c2)c1

BDBM558342

Fc1cc(OCc2cccc(CCC(=O)NC3COC3)c2)cnc1-c1ccn[nH]1

BDBM558343

CN(C)C(=O)[C@H]1C[C@@](O)(C1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r,wD:7.7,5.4,(-8.83,.07,;-8.83,-1.47,;-10.16,-2.24,;-7.5,-2.24,;-7.5,-3.78,;-6.16,-1.47,;-4.68,-1.87,;-4.28,-.38,;-4.28,1.16,;-5.76,.02,;-2.94,-1.15,;-2.94,-2.69,;-1.61,-3.46,;-.28,-2.69,;-.28,-1.15,;1.06,-.38,;2.39,-1.15,;3.73,-.38,;5.06,-1.15,;6.39,-.38,;6.39,1.16,;5.06,1.93,;3.73,1.16,;7.73,1.93,;9.13,1.3,;10.16,2.45,;9.39,3.78,;7.89,3.46,;-1.61,-.38,)|

BDBM558344

CN(C)C(=O)[C@H]1C[C@@](O)(C1)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccc1F |r,wD:7.7,5.4,(-8.83,.07,;-8.83,-1.47,;-10.16,-2.24,;-7.5,-2.24,;-7.5,-3.78,;-6.16,-1.47,;-4.68,-1.87,;-4.28,-.38,;-4.28,1.16,;-5.76,.02,;-2.94,-1.15,;-1.61,-.38,;-.28,-1.15,;1.06,-.38,;2.39,-1.15,;3.73,-.38,;5.06,-1.15,;6.39,-.38,;6.39,1.16,;5.06,1.93,;3.73,1.16,;7.73,1.93,;9.13,1.3,;10.16,2.45,;9.39,3.78,;7.89,3.46,;-.28,-2.69,;-1.61,-3.46,;-2.94,-2.69,;-4.28,-3.46,)|

BDBM558345

CNC(=O)C(C)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558346

CNC(=O)C(C)(C)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558347

FC1CN(C1)C(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558348

FC1(F)CN(C1)C(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558349

CN(CCO)C(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558350

O=C(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)NC1COC1

BDBM558351

COCCNC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558352

C[C@@H](O)CNC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558353

C[C@@H](CO)NC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558354

C[C@H](CO)NC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558355

C[C@H](O)CNC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558356

OC1CN(C1)C(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558357

O=C(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)NCC(=O)N1CCCC1

BDBM558358

CO[C@H](C)CNC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558359

O=C(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)NC[C@H]1CCCO1 |r|

BDBM558360

O=C(CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)NC[C@@H]1CCCO1 |r|

BDBM558361

CN(C)CCNC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558362

CN(C)C(=O)C1CC1c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558363

CS(=O)(=O)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558364

CCOC(=O)CCc1ccccc1CO

BDBM558365

CS(=O)(=O)NC(=O)Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558366

CCOC(=O)CCCCc1ccccc1CO

BDBM558367

CS(=O)(=O)NC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558368

CCOC(=O)CCc1ccc(CCO)cc1

BDBM558369

NC(=O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccn1

BDBM558370

OC(=O)CCNC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558371

CN(CCC(O)=O)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558372

CC(C)(CNC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558373

OC(=O)C1(CNC(=O)c2cccc(COc3ccc(nc3)-c3ccn[nH]3)c2)CC1

BDBM558374

OC(=O)C1(CNC(=O)c2cccc(COc3ccc(nc3)-c3ccn[nH]3)c2)CCCC1

BDBM558375

OC(=O)C1(CNC(=O)c2cccc(COc3ccc(nc3)-c3ccn[nH]3)c2)CCOCC1

BDBM558376

OC(=O)C[C@H](NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)c1ccccc1 |r|

BDBM558377

OC(=O)C[C@@H](NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)c1ccccc1 |r|

BDBM558378

C[C@H](NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O |r|

BDBM558379

C[C@@H](NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O |r|

BDBM558380

OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558381

OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558382

OC(=O)C1(CCOCC1)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558383

CC(C)(CCNC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558384

CC(C)(CCNC(=O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccn1)C(O)=O

BDBM558385

CC(C)(CCNC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)n1)C(O)=O

BDBM558386

CC(C)(CCNC(=O)c1cncc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558387

CN(CCC(C)(C)C(O)=O)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558388

OC(=O)[C@@H]1CC[C@@H](CC1)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r,wU:6.9,3.2,(-11.19,.92,;-9.85,1.69,;-9.85,3.23,;-8.52,.92,;-8.52,-.62,;-7.19,-1.39,;-5.85,-.62,;-5.85,.92,;-7.19,1.69,;-4.52,-1.39,;-3.19,-.62,;-3.19,.92,;-1.85,-1.39,;-1.85,-2.93,;-.52,-3.7,;.82,-2.93,;.82,-1.39,;2.15,-.62,;3.48,-1.39,;4.82,-.62,;6.15,-1.39,;7.48,-.62,;7.48,.92,;6.15,1.69,;4.82,.92,;8.82,1.69,;10.28,1.21,;11.19,2.46,;10.28,3.7,;8.82,3.23,;-.52,-.62,)|

BDBM558389

OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r,wU:3.2,wD:6.9,(-11.19,.92,;-9.85,1.69,;-9.85,3.23,;-8.52,.92,;-7.19,1.69,;-5.85,.92,;-5.85,-.62,;-7.19,-1.39,;-8.52,-.62,;-4.52,-1.39,;-3.19,-.62,;-3.19,.92,;-1.85,-1.39,;-1.85,-2.93,;-.52,-3.7,;.82,-2.93,;.82,-1.39,;2.15,-.62,;3.48,-1.39,;4.82,-.62,;6.15,-1.39,;7.48,-.62,;7.48,.92,;6.15,1.69,;4.82,.92,;8.82,1.69,;10.28,1.21,;11.19,2.46,;10.28,3.7,;8.82,3.23,;-.52,-.62,)|

BDBM558390

OC(=O)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r,wU:5.7,3.2,(-10.8,.47,;-9.46,1.24,;-9.46,2.78,;-8.13,.47,;-7.73,-1.02,;-6.24,-.62,;-6.64,.86,;-4.91,-1.39,;-3.58,-.62,;-3.58,.92,;-2.24,-1.39,;-2.24,-2.93,;-.91,-3.7,;.43,-2.93,;.43,-1.39,;1.76,-.62,;3.09,-1.39,;4.43,-.62,;5.76,-1.39,;7.09,-.62,;7.09,.92,;5.76,1.69,;4.43,.92,;8.43,1.69,;9.89,1.21,;10.8,2.46,;9.89,3.7,;8.43,3.23,;-.91,-.62,)|

BDBM558391

OC(=O)[C@H]1C[C@@H](C1)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r,wU:3.2,wD:5.7,(-10.8,.47,;-9.46,1.24,;-9.46,2.78,;-8.13,.47,;-6.64,.86,;-6.24,-.62,;-7.73,-1.02,;-4.91,-1.39,;-3.58,-.62,;-3.58,.92,;-2.24,-1.39,;-2.24,-2.93,;-.91,-3.7,;.43,-2.93,;.43,-1.39,;1.76,-.62,;3.09,-1.39,;4.43,-.62,;5.76,-1.39,;7.09,-.62,;7.09,.92,;5.76,1.69,;4.43,.92,;8.43,1.69,;9.89,1.21,;10.8,2.46,;9.89,3.7,;8.43,3.23,;-.91,-.62,)|

BDBM558392

OC(=O)C12CC(C1)(C2)NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558393

OC(=O)c1ccc(CNC(=O)c2cccc(COc3ccc(nc3)-c3ccn[nH]3)c2)cc1

BDBM558394

OC(=O)c1cccc(CNC(=O)c2cccc(COc3ccc(nc3)-c3ccn[nH]3)c2)c1

BDBM558395

OC(=O)c1ccccc1CNC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558396

OC(=O)C1CCN(CC1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558397

OC(=O)[C@@H]1CCCN(C1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558398

OC(=O)[C@H]1CCCN(C1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558399

OC(=O)CC1CCN(CC1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558400

OC(=O)CC1CCCN(C1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558401

OC(=O)CC1CCCCN1C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558402

OC(=O)C1CC2CCC(C1)N2C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558403

OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558404

OC(=O)[C@H]1CCCN1C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558405

OC(=O)C1CCN(C1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558406

OC(=O)C1(F)CCN(C1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558407

OC(=O)C1(F)CCN(C1)C(=O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccn1

BDBM558408

OC(=O)C[C@H]1CCN(C1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558409

OC(=O)C[C@@H]1CCN(C1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558410

OC(=O)CC1CN(C1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558411

OC(=O)c1nc2CN(Cc2o1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558412

OC(=O)c1ncc2CN(Cc2n1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558413

OC(=O)c1cnn2CCN(Cc12)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558414

OC(=O)c1cc2CN(CCn2n1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558415

OC(=O)c1nc2CN(CCc2o1)C(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558416

Oc1cc(CNC(=O)c2cccc(COc3ccc(nc3)-c3ccn[nH]3)c2)on1

BDBM558417

CC(C)(CC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1)C(O)=O

BDBM558418

CCOC(=O)c1cccc(CCCO)c1

BDBM558419

COC(=O)c1ccc(CCCO)cc1

BDBM558420

COC(=O)c1cccc(CCCCO)c1

BDBM558421

COC(=O)c1ccc(CCCCO)cc1

BDBM558422

OC(=O)C1(CCCC(=O)N2CCC(COc3ccc(nc3)-c3ccn[nH]3)CC2)CCCC1

BDBM558423

OC(=O)CCC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1

BDBM558424

OC(=O)CCNC(=O)c1cc(COc2ccc(nc2)-c2ccn[nH]2)ccn1

BDBM558425

OC(=O)C1(CCCC1)NC(=O)CCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558426

COC(=O)N1CCC(O)(CC1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558427

CCOC(=O)C(C)(C)n1ccc(CCCCO)n1

BDBM558428

CC(=O)N1CCC(O)(CC1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558429

CC(=O)N1CC(O)(C1)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558430

NC(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558431

NC(=O)c1cc(COc2ccc(nc2)-c2n[nH]cc2Cl)ccn1

BDBM558432

CS(=O)(=O)NC(=O)CCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558433

CC(C)(CCNC(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1)C(O)=O |r|

BDBM558434

CC(C)S(=O)(=O)Nc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558435

Cc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1OS(C)(=O)=O

BDBM558436

CS(=O)(=O)N[C@H]1CC[C@H](CC1)Oc1ccc(nc1)-c1ccn[nH]1 |r,wD:8.11,5.4,(-7.85,.53,;-6.52,-.24,;-7.29,-1.57,;-5.75,-1.57,;-5.19,.53,;-3.85,-.24,;-3.85,-1.78,;-2.52,-2.55,;-1.18,-1.78,;-1.18,-.24,;-2.52,.53,;.15,-2.55,;1.48,-1.78,;2.82,-2.55,;4.15,-1.78,;4.15,-.24,;2.82,.53,;1.48,-.24,;5.48,.53,;6.95,.06,;7.85,1.3,;6.95,2.55,;5.48,2.07,)|

BDBM558437

CN([C@H]1CC[C@@H](CC1)Oc1ccc(nc1)-c1ccn[nH]1)S(C)(=O)=O |r,wU:2.1,wD:5.8,(-5.19,2.07,;-5.19,.53,;-3.85,-.24,;-2.52,.53,;-1.18,-.24,;-1.18,-1.78,;-2.52,-2.55,;-3.85,-1.78,;.15,-2.55,;1.48,-1.78,;2.82,-2.55,;4.15,-1.78,;4.15,-.24,;2.82,.53,;1.48,-.24,;5.48,.53,;6.95,.06,;7.85,1.3,;6.95,2.55,;5.48,2.07,;-6.52,-.24,;-7.85,.53,;-7.29,-1.57,;-5.75,-1.57,)|

BDBM558438

CS(=O)(=O)NCC12CC(COc3ccc(nc3)-c3ccn[nH]3)(C1)C2

BDBM558439

CN(CC12CC(COc3ccc(nc3)-c3ccn[nH]3)(C1)C2)S(C)(=O)=O

BDBM558440

OC(Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(F)(F)F

BDBM558441

OC(Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(F)F

BDBM558442

OC(c1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1)C(F)(F)F

BDBM558443

OC(=O)C(F)(F)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558444

CCOC(=O)C1CCc2cc(CO)ccc2O1

BDBM558445

CS(=O)(=O)NC(=O)NCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558446

O=C1CN(CCCCOc2ccc(nc2)-c2ccn[nH]2)C(=O)N1

BDBM558447

C(CCOc1ccc(nc1)-c1ccn[nH]1)CCc1nnn[nH]1

BDBM558448

O=c1[nH]c(CCCCCOc2ccc(nc2)-c2ccn[nH]2)no1

BDBM558449

O=C1NC(=O)C(CCCCOc2ccc(nc2)-c2ccn[nH]2)O1

BDBM558450

Oc1cc(CCCCOc2ccc(nc2)-c2ccn[nH]2)on1

BDBM558451

FC(F)(F)S(=O)(=O)NCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558452

CS(=O)(=O)c1cc(O)cc(COc2ccc(nc2)-c2[nH]ncc2Cl)c1

BDBM558453

NC(=O)c1cc(COc2ccc(nc2)-c2[nH]ncc2C(F)F)ccn1

BDBM558454

OC(=O)C1(CCOCC1)OCCCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558455

OC(=O)[C@@H]1CCc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2C1 |r|

BDBM558456

OC(=O)[C@H]1CCc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2C1 |r|

BDBM558457

OC(=O)[C@@H]1COc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2C1 |r|

BDBM558458

OC(=O)[C@H]1COc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2C1 |r|

BDBM558459

OC(=O)[C@@H]1CCc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2O1 |r|

BDBM558460

OC(=O)[C@H]1CCc2ccc(COc3ccc(nc3)-c3ccn[nH]3)cc2O1 |r|

BDBM558461

OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558462

OC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1 |r|

BDBM558463

OC(=O)\C=C\c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1F

BDBM558464

OC(=O)CCc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1F

BDBM558465

OC(=O)C1CC1c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1F

BDBM558466

OC(=O)\C=C\c1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558467

OC(=O)\C=C\c1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cc1F

BDBM558468

OC(=O)\C=C\c1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558469

OC(=O)C1CC1c1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558470

OC(=O)C1CC1c1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cc1F

BDBM558471

OC(=O)C1CC1c1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558472

OC(=O)[C@@H]1C[C@@H]1c1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cc1 |r|

BDBM558473

OC(=O)[C@H]1C[C@@H]1c1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cc1 |r|

BDBM558474

OC(=O)C1CC1c1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1F

BDBM558475

CCC(OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558476

CC[C@@H](OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O |r|

BDBM558477

CC[C@H](OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O |r|

BDBM558478

OC(=O)COCCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558479

CC(OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558480

OC(=O)C1(CC1)OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558481

OC(=O)C1(COC1)OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558482

OC(=O)C1CCc2cc(CCOc3ccc(nc3)-c3ccn[nH]3)ccc2O1

BDBM558483

OC(=O)[C@@H]1CCc2cc(CCOc3ccc(nc3)-c3ccn[nH]3)ccc2O1 |r|

BDBM558484

OC(=O)[C@H]1CCc2cc(CCOc3ccc(nc3)-c3ccn[nH]3)ccc2O1 |r|

BDBM558485

OC(=O)C1COc2cc(CCOc3ccc(nc3)-c3ccn[nH]3)ccc2C1

BDBM558486

OC(=O)C1COc2ccc(CCOc3ccc(nc3)-c3ccn[nH]3)cc2C1

BDBM558487

OC(=O)C1CCc2c(COc3ccc(nc3)-c3ccn[nH]3)cccc2O1

BDBM558488

OC(=O)C1COc2c(CCOc3ccc(nc3)-c3ccn[nH]3)cccc2C1

BDBM558489

OC(=O)c1ccc(F)c(CCCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558490

OC(=O)c1cccc(CCCCCOc2ccc(nc2)-c2ccn[nH]2)n1

BDBM558491

OC(=O)C1CC1c1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM558492

OC(=O)C1CC1c1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)c(F)c1

BDBM558495

OC(=O)C1CC(C1)c1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)c1 |(-10.16,-1.86,;-8.83,-2.63,;-8.83,-4.17,;-7.5,-1.86,;-7.1,-.37,;-5.61,-.77,;-6.01,-2.25,;-4.28,0,;-4.28,1.54,;-2.94,2.31,;-1.61,1.54,;-1.61,0,;-.28,-.77,;1.06,0,;2.39,-.77,;3.73,0,;5.06,-.77,;6.39,0,;6.39,1.54,;5.06,2.31,;3.73,1.54,;7.73,2.31,;9.13,1.69,;10.16,2.83,;9.39,4.17,;7.89,3.85,;-2.94,-.77,)|

BDBM558496

OC(=O)C1CC(C1)c1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cc1 |(-10.16,.93,;-8.83,1.7,;-8.83,3.24,;-7.5,.93,;-6.01,1.33,;-5.61,-.16,;-7.1,-.56,;-4.28,-.93,;-2.94,-.16,;-1.61,-.93,;-1.61,-2.47,;-.28,-3.24,;1.06,-2.47,;2.39,-3.24,;3.73,-2.47,;5.06,-3.24,;6.39,-2.47,;6.39,-.93,;5.06,-.16,;3.73,-.93,;7.73,-.16,;9.13,-.79,;10.16,.36,;9.39,1.69,;7.89,1.37,;-2.94,-3.24,;-4.28,-2.47,)|

BDBM558497

OC(=O)C1CCc2ccc(CCOc3ccc(nc3)-c3ccn[nH]3)cc2O1

BDBM558498

OC(=O)[C@H]1CCc2ccc(CCOc3ccc(nc3)-c3ccn[nH]3)cc2O1 |r|

BDBM558499

OC(=O)[C@@H]1CCc2ccc(CCOc3ccc(nc3)-c3ccn[nH]3)cc2O1 |r|

BDBM558500

OC(=O)C1COc2cc(COc3ccc(nc3)-c3ccn[nH]3)ccc2C1

BDBM558501

OC(=O)C1CC1c1ccc(COc2ccc(nc2)-c2ccn[nH]2)c(F)c1

BDBM558502

CC(C)(Cc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1)C(O)=O

BDBM558503

OC(=O)C1(Cc2cccc(COc3ccc(nc3)-c3ccn[nH]3)c2F)COC1

BDBM558504

OC(=O)C1(Cc2cccc(CCOc3ccc(nc3)-c3ccn[nH]3)c2F)COC1

BDBM558505

CC(C)(Cc1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cn1)C(O)=O

BDBM558506

OC(=O)c1ccc(CCCCCOc2ccc(nc2)-c2ccn[nH]2)cn1

BDBM558507

CC(C)(Oc1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cc1)C(O)=O

BDBM558508

CC(C)(Oc1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558509

CC(C)(Oc1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cn1)C(O)=O

BDBM558510

CC(C)(COc1ccc(CCOc2ccc(nc2)-c2ccn[nH]2)cn1)C(O)=O

BDBM558511

CC(C)(Oc1cc(CCOc2ccc(nc2)-c2ccn[nH]2)ccn1)C(O)=O

BDBM558512

CC(C)(COc1cc(CCOc2ccc(nc2)-c2ccn[nH]2)ccn1)C(O)=O

BDBM558513

CC(C)(Oc1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)n1)C(O)=O

BDBM558514

CC(C)(COc1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)n1)C(O)=O

BDBM558515

CC(C)(Oc1ccc(CCCOc2ccc(nc2)-c2ccn[nH]2)cn1)C(O)=O

BDBM558516

CC(C)(COc1ccc(CCCOc2ccc(nc2)-c2ccn[nH]2)cn1)C(O)=O

BDBM558517

CC(C)(Oc1cccc(CCCOc2ccc(nc2)-c2ccn[nH]2)n1)C(O)=O

BDBM558518

CC(C)(COc1cccc(CCCOc2ccc(nc2)-c2ccn[nH]2)n1)C(O)=O

BDBM558519

CC(C)(Oc1cc(CCCOc2ccc(nc2)-c2ccn[nH]2)ccn1)C(O)=O

BDBM558520

CC(C)(COc1cc(CCCOc2ccc(nc2)-c2ccn[nH]2)ccn1)C(O)=O

BDBM558521

CC(=O)N1CC(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)(C1)C(O)=O

BDBM558524

CC(C)(OCCCCCCCCOc1ccc(nc1)-c1ccn[nH]1)C(O)=O

BDBM558525

OC(=O)C1(CCC1)OCCCCCCCOc1ccc(nc1)-c1ccn[nH]1

BDBM558526

OC(=O)C1(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)COC1

BDBM558527

OC(=O)C1(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)CCOC1

BDBM558528

OC(=O)C1(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)CCCO1

BDBM558529

OC(=O)C1(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)CCS(=O)(=O)CC1

BDBM558530

OC(=O)C1(Cc2cccc(COc3ccc(nc3)-c3ccn[nH]3)c2F)CC1

BDBM558531

OC(=O)C1(Cc2cccc(CCOc3ccc(nc3)-c3ccn[nH]3)c2F)CC1

BDBM558532

CC(=O)N1CCC(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)(C1)C(O)=O

BDBM558533

OC(=O)C1(CCCCCCCCOc2ccc(nc2)-c2ccn[nH]2)CS(=O)(=O)C1

BDBM558534

OC(=O)C1(Cc2ccc(CCOc3ccc(nc3)-c3ccn[nH]3)cc2)CC1

BDBM558535

OC(=O)C1CC1c1cc(CCOc2ccc(nc2)-c2ccn[nH]2)ccc1F

BDBM558536

OC(=O)C1CC1c1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)c1F

BDBM558537

OC(=O)[C@H]1C[C@@H]1c1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)c1F |r|

BDBM558538

OC(=O)[C@@H]1C[C@H]1c1cccc(CCOc2ccc(nc2)-c2ccn[nH]2)c1F |r|

BDBM558539

OC(=O)C1CC1c1ccc(F)c(CCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558542

OC(=O)C1CC1c1cc(F)cc(CCOc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558545

OC(=O)C1(Cc2ccc(CCOc3ccc(nc3)-c3ccn[nH]3)cc2)COC1

BDBM558546

CC(C)(NS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558547

CN(CC(C)(C)C(O)=O)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558548

CC(C)(CNS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1)C(O)=O

BDBM558549

CN(C(C)(C)C(O)=O)S(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM558550

CC(C)(COc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cn1)C(O)=O

BDBM558551

CC(C)(COc1cccc(COc2ccc(nc2)-c2ccn[nH]2)n1)C(O)=O

BDBM558552

OC(=O)C1CCc2ccc(COc3ccc(nc3)-c3[nH]ncc3Cl)cc2O1

BDBM558554

CC(C)(OCCCCCCCOc1ccc(nc1)-c1cnco1)C(O)=O

BDBM558555

CC(=O)N1CCN(CCOc2ccc(cc2)-c2ccn[nH]2)CC1

BDBM558556

CCOC(=O)N1CCN(CCOc2ccc(cn2)-c2ccn[nH]2)CC1

BDBM50527962

OC(=O)CCCCCNn1nnc2ccccc12

BDBM50527963

OC(=O)CCCCCCCNn1nnc2ccccc12

BDBM50591495

CCOC(=O)N1CCN(CCOc2ccc(cc2)-c2ccn[nH]2)CC1

BDBM50591496

Cc1ncsc1CCOc1ccc(cc1)-c1ccn[nH]1

BDBM50591497

Cc1ncsc1CCOc1ccc(nc1)-c1ccn[nH]1

BDBM50591498

Cc1ncsc1CCOc1cnc(nc1)-c1ccn[nH]1

BDBM50591499

Fc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM50591500

N#Cc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM50591501

N#Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM50591502

CS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM50591503

CS(=O)(=O)c1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1

BDBM50591504

CS(=O)(=O)c1cc(O)cc(COc2ccc(nc2)-c2ccn[nH]2)c1

BDBM50591505

CS(=O)(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|

BDBM50591506

CS(=O)(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|

BDBM50591507

CS(=O)(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1

BDBM50591508

CC(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|

BDBM50591509

CC(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|

BDBM50591510

CC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1

BDBM50591511

CC(=O)N1CCC(CC1)Oc1ccc(nc1)-c1ccn[nH]1

BDBM50591512

CC(=O)N1CCC[C@H](C1)Oc1ccc(nc1)-c1ccn[nH]1 |r|

BDBM50591513

CC(=O)N1CCC[C@@H](C1)Oc1ccc(nc1)-c1ccn[nH]1 |r|

BDBM50591514

CC(=O)N[C@@H]1CC[C@H](COc2ccc(nc2)-c2ccn[nH]2)CC1 |r,wU:7.7,4.3,(-8.55,-3.62,;-7.22,-2.85,;-7.22,-1.31,;-5.88,-3.62,;-4.55,-2.85,;-3.22,-3.62,;-1.89,-2.86,;-1.89,-1.32,;-.55,-.55,;.78,-1.32,;2.12,-.55,;3.45,-1.31,;4.78,-.54,;4.78,1,;3.45,1.77,;2.12,1,;6.11,1.77,;7.52,1.14,;8.55,2.29,;7.78,3.62,;6.27,3.3,;-3.22,-.54,;-4.55,-1.32,)|

BDBM50591515

CC(=O)N[C@H]1CC[C@H](COc2ccc(nc2)-c2ccn[nH]2)CC1 |r,wU:7.7,wD:4.3,(-8.55,-3.62,;-7.22,-2.85,;-7.22,-1.31,;-5.88,-3.62,;-4.55,-2.85,;-3.22,-3.62,;-1.89,-2.86,;-1.89,-1.32,;-.55,-.55,;.78,-1.32,;2.12,-.55,;3.45,-1.31,;4.78,-.54,;4.78,1,;3.45,1.77,;2.12,1,;6.11,1.77,;7.52,1.14,;8.55,2.29,;7.78,3.62,;6.27,3.3,;-3.22,-.54,;-4.55,-1.32,)|

BDBM50591516

O=C(C1CC1)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1

BDBM50591517

COC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1

BDBM50591518

CNC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1

BDBM50591519

CN(C)C(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1

BDBM50591520

CN(C)S(=O)(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|

BDBM50591915

FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1

BDBM50591917

[H][C@]12[C@H](O)C[C@@H](C(C)C)[C@]1(COC(C)=O)CC[C@@]1(C)[C@]3([H])[C@@H](O)C[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]21C |r,c:38|

BDBM8610

CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl