SMILES for Interleukin-1 beta

FC(F)(F)C1CCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC1 |(6.53,3.69,;5.44,4.78,;5.84,6.27,;6.93,5.18,;3.95,4.38,;3.55,2.9,;2.07,2.5,;.98,3.59,;-.51,3.19,;-.91,1.7,;-2.4,1.3,;-3.49,2.39,;-2.8,-.19,;-1.89,-1.43,;-2.8,-2.68,;-2.4,-4.17,;-3.17,-5.5,;-1.83,-6.27,;-1.06,-4.94,;-4.26,-2.2,;-5.59,-2.97,;-6.93,-2.2,;-6.93,-.66,;-5.59,.11,;-5.59,1.65,;-4.26,-.66,;1.38,5.07,;2.86,5.47,)|

BDBM398122

FC(F)(F)C1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1

BDBM398124

OC1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCCC1

BDBM398125

Clc1cccc2n(cc(C(=O)NCC3C[C@@H]4CC[C@H]3C4)c12)C1COC1 |r,THB:12:13:16.17:19|

BDBM398128

CC(NC(=O)c1cn(C2COC2)c2cccc(Cl)c12)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,THB:22:21:23.28.24:27|

BDBM398130

CC1(C)CCCC(O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1

BDBM398131

OC1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCCCC1

BDBM398132

FC1(F)CCC[C@@H](CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 |r|

BDBM398133

FC1(F)CCC[C@H](CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 |r|

BDBM398134

Clc1cccc2n(cc(C(=O)NCC3CCCC4(CC4)C3)c12)C1COC1

BDBM398135

FC1(F)CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1

BDBM398136

Clc1cccc2n(cc(C(=O)NCC(C3CCCC3)c3ccccc3)c12)C1COC1

BDBM398138

Clc1cccc2n(cc(C(=O)NCCOC3CCCC3)c12)C1COC1

BDBM398139

FC(F)(F)CCCNC(=O)c1cn(C2COC2)c2cccc(Cl)c12

BDBM398140

Clc1cccc2n(cc(C(=O)NCC3CCCOC3)c12)C1COC1

BDBM398141

Clc1cccc2n(cc(C(=O)NCC[C@@H]3C[C@H]4C[C@@H]3C=C4)c12)C1COC1 |r,c:20|

BDBM398145

OC1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC1

BDBM398146

Clc1cccc2n(cc(C(=O)NCCC3CCCC3)c12)C1COC1

BDBM398147

CC1CCCC(O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1

BDBM398148

O[C@]1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398149

O[C@@]1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398150

OC1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398151

O[C@@H]1CCCC[C@H]1CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12 |r|

BDBM398152

O[C@@H]1CCCC[C@@H]1CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12 |r|

BDBM398153

CC1CC(F)(F)CC(O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1

BDBM398154

C[C@H]1CCC[C@@](O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 |r|

BDBM398155

FC(F)(F)C1CC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC(F)(F)C1

BDBM398156

OC1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCC(F)(F)CC1

BDBM398157

C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 |r|

BDBM398158

FC1(F)CCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC1

BDBM398159

FC(F)OCCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398161

OC1(CNC(=O)c2cn(C3CCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1

BDBM398163

OC1(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CCCC(C1)C(F)(F)F

BDBM398164

Clc1cccc2n(cc(C(=O)NCC3CCCCC3)c12)C1CCOC1

BDBM398168

Clc1cccc2n(cc(C(=O)NCC3C[C@@H]4CC[C@H]3C4)c12)C1CCOC1 |r,THB:12:13:16.17:19|

BDBM398169

CC1CC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CCC1(F)F

BDBM398170

CC1(C)CCCC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1

BDBM398171

Clc1cccc2n(cc(C(=O)NCCC3CCCC3)c12)C1CCOC1

BDBM398172

CC(NC(=O)c1cn(C2CCOC2)c2cccc(Cl)c12)C1C[C@H]2CC[C@@H]1C2 |r,TLB:1:20:26:24.23|

BDBM398175

FC(F)(F)C1CCCC(CNC(=O)c2cn(C3CCCO3)c3cccc(Cl)c23)C1

BDBM398176

C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1 |r|

BDBM398177

FC1(F)CCC(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CC1

BDBM398178

OC1(CNC(=O)c2cn(CC3CCO3)c3cccc(Cl)c23)CCC(F)(F)CC1

BDBM398179

FC1(F)CCC(CNC(=O)c2cn(CC3CCO3)c3cccc(Cl)c23)CC1

BDBM398180

FC1(F)CCC(CNC(=O)c2cn(CC3(CC3)OC(=O)c3ccccc3)c3cccc(Cl)c23)CC1

BDBM398181

CC(C)(C)OC(=O)N1CC(C1)n1cc(C(=O)NCC2(O)CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398182

CC(C)(C)OC(=O)N1CC(C1)n1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398183

OC1(CNC(=O)c2cn(C3CCNC3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398184

CC(C)(C)OC(=O)N1CCC(C1)n1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398185

CC(C)(C)OC(=O)N1CC[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r|

BDBM398186

FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCN3)c3cccc(Cl)c23)CC1 |r|

BDBM398187

OC1(CNC(=O)c2cn(CC3CCN3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398188

OC1(CNC(=O)c2cn(CC3CNC3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398189

FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)c3cccc(Cl)c23)CC1 |r|

BDBM398190

FC1(F)CC(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3c(Cl)cccc23)C1

BDBM398191

CC(C)OCCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398192

O[C@]1(CNC(=O)c2cn(C[C@@H]3CCCO3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398193

O[C@@]1(CNC(=O)c2cn(C[C@@H]3CCCO3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398194

OC1(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1 |r|

BDBM398195

FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CC1 |r|

BDBM398196

OC1(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398197

OC1(CNC(=O)c2cn(C[C@@H]3CCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1 |r|

BDBM398198

FC1(F)CCC(CNC(=O)c2cn(C[C@@H]3CCCO3)c3cccc(Cl)c23)CC1 |r|

BDBM398200

CCC1CCCC(O)(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1

BDBM398201

CC1CC(F)(F)CC(O)(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1

BDBM398202

OC1(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398203

C[C@H]1CCC[C@@](O)(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1 |r|

BDBM398204

FC(F)(F)C1CC(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)CC(F)(F)C1

BDBM398205

OC1(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1

BDBM398206

C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1 |r|

BDBM398207

FC1(F)CCC(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)CC1

BDBM398208

OC1(CNC(=O)c2cn(CC3CCOC3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398209

OC1(CNC(=O)c2cn(CC3CCOC3)c3cccc(Cl)c23)CCC(F)(F)CC1

BDBM398211

FC1(F)CCC(CNC(=O)c2cn(CCOC3CC3)c3cccc(Cl)c23)CC1

BDBM398212

FC1(F)CCC(CNC(=O)c2cn(CC3COCCO3)c3cccc(Cl)c23)CC1

BDBM398213

CN1CC[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r|

BDBM398214

CC1(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3c(Cl)cccc23)CCN1

BDBM398215

CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r|

BDBM398216

FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCCN3)c3cccc(Cl)c23)CC1 |r|

BDBM398217

OC1(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398218

FC1(F)CCCC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)C1

BDBM398219

CC1CC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CC(F)(F)C1

BDBM398220

CC(C)(C)OC(=O)N1CCCC1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398221

OC1(CNC(=O)c2cn(CC3CCNC3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398222

FC1(F)CCC(CNC(=O)c2cn(CC3CCNC3)c3cccc(Cl)c23)CC1

BDBM398223

FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCC(=O)N3)c3cccc(Cl)c23)CC1 |r|

BDBM398224

CCN(C)C(=O)Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398225

CC(C)(C)OC(=O)N1CCOCC1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398226

OC1(CNC(=O)c2cn(CC3CCCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1

BDBM398227

FC1(F)CCC(CNC(=O)c2cn(CC3CCCCO3)c3cccc(Cl)c23)CC1

BDBM398228

FC1(F)CCC(CNC(=O)c2cn(CC3CCOCC3)c3cccc(Cl)c23)CC1

BDBM398229

CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(C(=O)NCC2(O)CCC(F)(F)CC2)c2c(Cl)cccc12 |r|

BDBM398230

CN1CCCC1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398231

FC1(F)CCC(CNC(=O)c2cn(C3CN(C3)C3CC3)c3cccc(Cl)c23)CC1

BDBM398233

FC1(F)CCC(CNC(=O)c2cn(CC3CCCCN3)c3cccc(Cl)c23)CC1

BDBM398234

FC1(F)CCC(CNC(=O)c2cn(CC3CCCNC3)c3cccc(Cl)c23)CC1

BDBM398235

FC1(F)CCC(CNC(=O)c2cn(CC3CCNCC3)c3cccc(Cl)c23)CC1

BDBM398236

O[C@]1(CNC(=O)c2cn(CCN3CCCC3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398237

O[C@@]1(CNC(=O)c2cn(CCN3CCCC3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398238

OC1(CNC(=O)c2cn(CCN3CCCC3)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398239

FC1(F)CCC(CNC(=O)c2cn(CCN3CCCC3)c3cccc(Cl)c23)CC1

BDBM398240

CN1CC(F)(F)C[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r|

BDBM398241

CC(=O)N1CC[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r|

BDBM398242

CN1[C@@H](Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3c(Cl)cccc23)CCC1=O |r|

BDBM398243

CN1CCOC(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3c(Cl)cccc23)C1

BDBM398244

CN1CCOCC1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398245

FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCCC3)c3cccc(Cl)c23)CC1

BDBM398246

O[C@]1(CNC(=O)c2cn(CCN3CCCC3=O)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398247

O[C@@]1(CNC(=O)c2cn(CCN3CCCC3=O)c3cccc(Cl)c23)CCCC(F)(F)C1 |r|

BDBM398248

OC1(CNC(=O)c2cn(CCN3CCCC3=O)c3cccc(Cl)c23)CCCC(F)(F)C1

BDBM398249

FC1(F)CCC(CNC(=O)c2cn(CCN3CCCC3=O)c3cccc(Cl)c23)CC1

BDBM398250

FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCOCC3)c3cccc(Cl)c23)CC1

BDBM398251

CC(C)N1CC[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r|

BDBM398253

FC1(F)CCC(CNC(=O)c2cn(CCN3CCCCC3)c3cccc(Cl)c23)CC1

BDBM398254

FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCCCC3)c3cccc(Cl)c23)CC1

BDBM398255

CC(C)N1CCCC1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398256

FC1(F)CCC(CNC(=O)c2cn(CC3CCCN3C3CC3)c3cccc(Cl)c23)CC1

BDBM398257

OCCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(cccc12)C(F)(F)F

BDBM398258

COCCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(cccc12)C(F)(F)F

BDBM398259

CC(C(=O)N(C)C)n1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398260

CC(C)N(C)C(=O)Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398261

CN(C)C(=O)Cn1cc(C(=O)NCC2(O)CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398262

CCN(CC)C(=O)Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM398263

CN(C)C(=O)Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM86694

ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|

BDBM450404

COCCn1cc(C(=O)NC(CO)c2cccc(c2Cl)C(F)(F)F)c2c(Cl)cccc12

BDBM450410

COCCn1cc(C(=O)NCC2(CCOCC2)c2ccc(cc2)C(F)(F)F)c2c(Cl)cccc12

BDBM450481

FC(F)(F)C1CCCC(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1

BDBM450486

OC1(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3c(Cl)cccc23)CC1

BDBM450487

CN1CC(C1)n1cc(C(=O)NCC2(O)CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM450488

CN1CC(C1)n1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

BDBM450490

FC1(F)CCC(CNC(=O)c2cn(C3CCNC3)c3cccc(Cl)c23)CC1

BDBM450491

FC1(F)CCC(CNC(=O)c2cn(C[C@@H]3CCN3)c3cccc(Cl)c23)CC1 |r|

BDBM450516

FC1(F)CCC(CNC(=O)c2cn(CC3CCOC3)c3cccc(Cl)c23)CC1

BDBM450521

FC1(F)CCC(CNC(=O)c2cn(C[C@@H]3CCCN3)c3cccc(Cl)c23)CC1 |r|

BDBM450448

FC1(F)CCC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CC1

BDBM450530

FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCC3)c3cccc(Cl)c23)CC1

BDBM450531

FC1(F)CCC(CNC(=O)c2cn(CC3COCCN3)c3cccc(Cl)c23)CC1

BDBM450532

OC1(CNC(=O)c2cn(CC3COCCN3)c3cccc(Cl)c23)CCC(F)(F)CC1

BDBM450535

CN1CCC[C@H]1Cn1cc(C(=O)NCC2(O)CCC(F)(F)CC2)c2c(Cl)cccc12 |r|

BDBM531220

CCN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531221

Cc1cc(cc(O)c1-c1ccc(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F |r,wU:15.16,wD:13.13,15.17,(-1.69,2.69,;-3.02,1.93,;-4.35,2.69,;-5.69,1.93,;-5.69,.38,;-4.35,-.38,;-4.35,-1.93,;-3.02,.38,;-1.69,-.38,;-.35,.38,;.98,-.38,;.98,-1.93,;2.31,-2.69,;3.65,-1.93,;5.14,-2.32,;5.53,-.84,;7.02,-1.23,;6.3,.5,;4.05,-.44,;-.35,-2.69,;-1.69,-1.93,;-7.02,2.69,;-7.02,4.23,;-8.35,1.92,;-8.36,3.46,)|

BDBM531222

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCC[C@H](O)C2)nn1)C(F)(F)F |r|

BDBM531223

CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(cc1O)C(F)(F)F |r|

BDBM531224

CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531230

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CCO)C2)nn1)C(F)(F)F |r|

BDBM531232

CC(C)N1CCCC(C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531237

CCN1CCC[C@H]1CNc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531249

Cc1cc(cc(O)c1-c1ccc(NC2CNCC(F)(F)C2)nn1)C(F)(F)F

BDBM531250

Cc1cc(cc(O)c1-c1ccc(NCC(O)(C(F)(F)F)C(F)(F)F)nn1)C(F)(F)F

BDBM531252

CCN1CCC[C@H](C1)Nc1nnc(cc1C#N)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531253

CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531254

Cc1cc(nnc1N[C@@H]1CCCN(CCO)C1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531255

Cc1cc(cc(O)c1-c1ccc(NC[C@H]2CCCN2)nn1)C(F)(F)F |r|

BDBM531256

Cc1cc(cc(O)c1-c1ccc(NCC(C)(C)O)nn1)C(F)(F)F

BDBM531257

CN(C)C(C)(C)CNc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531258

CN1CC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531259

CN1CC[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531260

Cc1cc(cc(O)c1-c1ccc(OCC(C)(C)O)nn1)C(F)(F)F

BDBM531261

Cc1cc(cc(O)c1-c1ccc(NC[C@H]2CCCCN2)nn1)C(F)(F)F |r|

BDBM531262

Cc1cc(cc(O)c1-c1ccc(NC[C@@H]2CCCCN2)nn1)C(F)(F)F |r|

BDBM531263

Cc1cc(cc(O)c1-c1ccc(NC[C@@H]2CC(F)(F)CN2)nn1)C(F)(F)F |r|

BDBM531264

Cc1cc(cc(O)c1-c1ccc(NC[C@H]2CC(F)(F)CN2)nn1)C(F)(F)F |r|

BDBM531265

Cc1cc(cc(O)c1-c1ccc(NC2CCCC2O)nn1)C(F)(F)F

BDBM531266

OCCNc1ccc(nn1)-c1c(O)cc(Cl)cc1Cl

BDBM531267

Cc1cc(cc(O)c1-c1cc(c(NCCO)nn1)C(F)(F)F)C(F)(F)F

BDBM531268

Oc1cc(Cl)cc(Cl)c1-c1ccc(NCC(F)(F)F)nn1

BDBM531269

Cc1cc(cc(O)c1-c1ccc(NCc2ccccn2)nn1)C(F)(F)F

BDBM531270

Cc1cc(cc(O)c1-c1ccc(NCC(C)(C)N)nn1)C(F)(F)F

BDBM531271

CC(C)(O)CNc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F

BDBM531272

O[C@H]1C[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F |r,wU:3.5,1.0,(6.94,-.07,;5.61,-.84,;5.21,-2.32,;3.72,-1.93,;4.12,-.44,;2.39,-2.69,;1.06,-1.93,;1.06,-.38,;-.28,.38,;-1.61,-.38,;-1.61,-1.93,;-.28,-2.69,;-2.94,.38,;-4.28,-.38,;-4.28,-1.93,;-5.61,.38,;-5.61,1.93,;-4.28,2.69,;-2.94,1.93,;-1.61,2.69,;-6.94,2.69,;-6.94,4.23,;-8.28,1.92,;-8.28,3.46,)|

BDBM531273

O[C@H]1C[C@@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F |r,wU:3.5,wD:1.0,(6.94,-.07,;5.61,-.84,;4.12,-.44,;3.72,-1.93,;5.21,-2.32,;2.39,-2.69,;1.06,-1.93,;1.06,-.38,;-.28,.38,;-1.61,-.38,;-1.61,-1.93,;-.28,-2.69,;-2.94,.38,;-4.28,-.38,;-4.28,-1.93,;-5.61,.38,;-5.61,1.93,;-4.28,2.69,;-2.94,1.93,;-1.61,2.69,;-6.94,2.69,;-6.94,4.23,;-8.28,1.92,;-8.28,3.46,)|

BDBM531274

Cc1cc(cc(O)c1-c1ccc(N[C@H]2CCCNC2)nn1)C(F)(F)F |r|

BDBM531275

Cc1ncccc1CNc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F

BDBM531276

Cc1ncccc1CNc1ccc(nn1)-c1c(O)cc(Cl)cc1C(F)(F)F

BDBM531277

CN1CCC[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531278

OCCNc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F

BDBM531279

CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1C(F)(F)F)C(F)(F)F |r|

BDBM531280

CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1c(C)cc(cc1O)C(F)(F)F |r,wD:5.7,(8,-3.36,;6.67,-2.59,;6.67,-1.05,;5.33,-.28,;4,-1.05,;4,-2.59,;5.33,-3.36,;2.67,-3.36,;1.33,-2.59,;,-3.36,;-1.33,-2.59,;-1.33,-1.05,;,-.28,;,1.26,;1.33,-1.05,;2.67,-.28,;-2.67,-.28,;-2.67,1.26,;-1.33,2.03,;-4,2.03,;-5.38,1.29,;-5.33,-.28,;-4,-1.05,;-4,-2.59,;-6.72,2.06,;-8.05,2.83,;-5.95,3.39,;-7.49,.72,)|

BDBM531282

Cc1cc(cc(O)c1-c1ccc(NC2CCC(NC2)C(O)=O)nn1)C(F)(F)F

BDBM531283

CN1CCC[C@H](C1)Oc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531284

Cc1cc(cc(O)c1-c1ccc(Nc2cncnc2)nn1)C(F)(F)F

BDBM531285

Oc1cc(Cl)cc(Cl)c1-c1ccc(NC2CC2)nn1

BDBM531286

CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1Cl |r|

BDBM531287

Cc1cc(cc(O)c1-c1ccc(Nc2cccnc2)nn1)C(F)(F)F

BDBM531288

CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(C)cc1O |r|

BDBM531289

CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1ccc(cc1O)C(F)(F)F |r|

BDBM531291

CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F |r|

BDBM531292

CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(C)cc1O)C(F)(F)F |r|

BDBM531293

CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1C(F)(F)F |r|

BDBM531294

CN1CCCC(C)(C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531296

CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F |r|

BDBM531299

Cc1cc(nnc1N[C@H]1C[C@@](C)(O)C1)-c1c(C)cc(cc1O)C(F)(F)F |r,wU:10.11,wD:8.8,10.12,(3.06,-.28,;1.72,-1.05,;.39,-.28,;-.94,-1.05,;-.94,-2.59,;.39,-3.36,;1.72,-2.59,;3.06,-3.36,;4.39,-2.59,;5.88,-2.99,;6.28,-1.5,;6.08,.02,;7.61,-.73,;4.79,-1.1,;-2.28,-.28,;-2.28,1.26,;-.94,2.03,;-3.61,2.03,;-4.99,1.29,;-4.94,-.28,;-3.61,-1.05,;-3.61,-2.59,;-6.33,2.06,;-7.66,2.83,;-5.56,3.39,;-7.1,.72,)|

BDBM531300

Cc1cc(N[C@H]2C[C@@](C)(O)C2)nnc1-c1ccc(cc1O)C(F)(F)F |r,wU:7.7,wD:5.4,7.8,(.39,1.26,;.39,-.28,;1.72,-1.05,;1.72,-2.59,;3.06,-3.36,;4.39,-2.59,;5.88,-2.99,;6.28,-1.5,;6.08,.02,;7.61,-.73,;4.79,-1.1,;.39,-3.36,;-.94,-2.59,;-.94,-1.05,;-2.28,-.28,;-2.28,1.26,;-3.61,2.03,;-4.99,1.29,;-4.94,-.28,;-3.61,-1.05,;-3.61,-2.59,;-6.33,2.06,;-7.66,2.83,;-5.56,3.39,;-7.1,.72,)|

BDBM531302

Cc1cc(cc(O)c1-c1cc(c(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F)C(F)(F)F |r,wU:15.16,wD:13.13,15.17,(-1.13,2.03,;-2.46,1.26,;-3.8,2.03,;-5.18,1.29,;-5.13,-.28,;-3.8,-1.05,;-3.8,-2.59,;-2.46,-.28,;-1.13,-1.05,;.2,-.28,;1.63,-1.03,;1.54,-2.59,;2.87,-3.36,;4.21,-2.59,;5.54,-3.36,;6.31,-2.03,;6.51,-.5,;7.8,-1.63,;4.98,-1.26,;.2,-3.36,;-1.13,-2.59,;2.98,-.28,;4.32,.48,;2.22,1.06,;3.73,-1.62,;-6.51,2.06,;-7.84,2.83,;-5.74,3.39,;-7.28,.72,)|

BDBM531303

Cc1cc(cc(O)c1-c1ccc(N[C@H]2CCC[C@H](O)C2)nn1)C(F)(F)F |r|

BDBM531304

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCC[C@@H](O)C2)nn1)C(F)(F)F |r|

BDBM531305

CN1CCC[C@@H](Nc2ccc(nn2)-c2c(C)cc(cc2O)C(F)(F)F)C1=O |r|

BDBM531306

Cc1cc(cc(O)c1-c1ccc(NC[C@@H](F)C(C)(C)O)nn1)C(F)(F)F |r|

BDBM531307

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCC(=O)NC2)nn1)C(F)(F)F |r|

BDBM531308

Cc1cc(cc(O)c1-c1ccc(NC2CCC(NC2)C(F)(F)F)nn1)C(F)(F)F

BDBM531309

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CC(F)(F)F)C2)nn1)C(F)(F)F |r|

BDBM531310

CN1CCC[C@H](C1)Nc1nnc(cc1C(F)(F)F)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531311

CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1ccc(cc1O)C(F)(F)F |r|

BDBM531312

C[C@@]1(O)C[C@@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F |r,wU:1.0,wD:4.6,1.1,(6.08,.02,;6.28,-1.5,;7.61,-.73,;5.88,-2.99,;4.39,-2.59,;4.79,-1.1,;3.06,-3.36,;1.72,-2.59,;1.72,-1.05,;.35,-.19,;-.94,-1.05,;-.94,-2.59,;.39,-3.36,;-2.28,-.28,;-2.28,1.26,;-3.61,2.03,;-4.99,1.29,;-4.94,-.28,;-3.61,-1.05,;-3.61,-2.59,;-6.33,2.06,;-7.66,2.83,;-5.56,3.39,;-7.1,.72,;.33,1.35,;.31,2.89,;1.87,1.37,;-1.21,1.33,)|

BDBM531313

Cc1cc(cc(O)c1-c1ccc(N[C@H]2C[C@@](O)(C2)C(F)(F)F)nn1)C(F)(F)F |r,wU:15.19,wD:13.13,15.16,(-1.22,2.03,;-2.55,1.26,;-3.89,2.03,;-5.27,1.29,;-5.22,-.28,;-3.89,-1.05,;-3.89,-2.59,;-2.55,-.28,;-1.22,-1.05,;.11,-.28,;1.45,-1.05,;1.45,-2.59,;2.78,-3.36,;4.12,-2.59,;5.6,-2.99,;6,-1.5,;7.54,-1.5,;4.51,-1.1,;6.4,-.02,;5.31,1.07,;7.89,.38,;6.8,1.47,;.11,-3.36,;-1.22,-2.59,;-6.6,2.06,;-7.94,2.83,;-5.83,3.39,;-7.37,.72,)|

BDBM531314

Cc1cc(N[C@H]2C[C@@](C)(O)C2)nnc1-c1ccc(Cl)cc1O |r,wU:7.7,wD:5.4,7.8,(-.38,1.93,;-.38,.38,;.95,-.38,;.95,-1.93,;2.29,-2.69,;3.62,-1.93,;5.11,-2.32,;5.51,-.84,;5.91,.65,;7.05,-.84,;4.02,-.44,;-.38,-2.69,;-1.71,-1.93,;-1.71,-.38,;-3.05,.38,;-3.05,1.93,;-4.38,2.69,;-5.71,1.93,;-7.05,2.69,;-5.71,.38,;-4.38,-.38,;-4.38,-1.93,)|

BDBM531315

C[C@@]1(O)C[C@@H](C1)Nc1cc(c(nn1)-c1ccc(Cl)cc1O)C(F)(F)F |r,wU:1.0,wD:4.6,1.1,(5.91,.27,;5.51,-1.22,;7.05,-1.22,;5.11,-2.71,;3.62,-2.31,;4.02,-.82,;2.29,-3.08,;.95,-2.31,;.95,-.77,;-.42,.09,;-1.71,-.77,;-1.71,-2.31,;-.38,-3.08,;-3.05,,;-3.05,1.54,;-4.38,2.31,;-5.71,1.54,;-7.05,2.31,;-5.71,,;-4.38,-.77,;-4.38,-2.31,;-.44,1.63,;-.46,3.17,;1.1,1.65,;-1.98,1.61,)|

BDBM531318

CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(Cl)cc1O)C(F)(F)F |r|

BDBM531319

CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(Cl)cc1O |r|

BDBM531320

Cc1cc(nnc1NCC(C)(C)O)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531322

Cc1cc(NCC(C)(C)O)nnc1-c1c(C)cc(cc1O)C(F)(F)F |(,2.59,;,1.05,;1.33,.28,;1.33,-1.26,;2.67,-2.03,;4,-1.26,;5.33,-2.03,;4.56,-3.36,;6.1,-3.36,;6.67,-1.26,;,-2.03,;-1.33,-1.26,;-1.33,.28,;-2.67,1.05,;-2.67,2.59,;-1.33,3.36,;-4,3.36,;-5.33,2.59,;-5.33,1.05,;-4,.28,;-4,-1.26,;-6.67,3.36,;-6.67,4.9,;-8,2.59,;-8,4.13,)|

BDBM531323

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCNC2)nn1)C(F)(F)F |r|

BDBM531324

Cc1cc(cc(O)c1-c1ccc(NC[C@@H]2C[C@H](F)CN2)nn1)C(F)(F)F |r|

BDBM531325

Cc1cc(cc(O)c1-c1ccc(NC[C@@H]2C[C@@H](F)CN2)nn1)C(F)(F)F |r|

BDBM531326

CN1CCOCC1CNc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531327

Cc1cc(cc(O)c1-c1ccc(NC[C@](C)(O)C(F)(F)F)nn1)C(F)(F)F |r|

BDBM531328

Cc1cc(cc(O)c1-c1ccc(NC(C)(C)CO)nn1)C(F)(F)F

BDBM531329

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CC(C)(C)O)C2)nn1)C(F)(F)F |r|

BDBM531330

Cc1cc(N[C@H]2C[C@@](C)(O)C2)nnc1-c1ccc(OC(F)(F)F)cc1O |r,wU:7.7,wD:5.4,7.8,(-.38,1.93,;-.38,.38,;.95,-.38,;.95,-1.93,;2.29,-2.69,;3.62,-1.93,;5.11,-2.32,;5.51,-.84,;5.91,.65,;7.05,-.84,;4.02,-.44,;-.38,-2.69,;-1.71,-1.93,;-1.71,-.38,;-3.05,.38,;-3.05,1.93,;-4.38,2.69,;-5.71,1.93,;-7.05,2.69,;-6.78,4.21,;-6.51,5.73,;-5.33,4.74,;-7.96,5.2,;-5.71,.38,;-4.38,-.38,;-4.38,-1.93,)|

BDBM531331

CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(OC(F)(F)F)cc1O |r|

BDBM531332

Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCCN3CCC[C@H]23)nn1 |r|

BDBM531333

Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@H]2CCCN3CCC[C@@H]23)nn1 |r|

BDBM531334

Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(NC[C@H]2CCCCN2CO)nn1 |r|

BDBM531335

Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(NC[C@@H]2CCCCN2CO)nn1 |r|

BDBM531336

CN1C2CCC1C(CC2)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |TLB:0:1:8.7.6:3.4,THB:9:6:1:3.4|

BDBM531337

CN1C2CCC1C(CC2)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |TLB:0:1:6.7.8:3.4,THB:9:6:1:3.4|

BDBM531338

Cc1cc(cc(O)c1-c1ccc(NC2CCC3CCC2N3CCO)nn1)C(F)(F)F |TLB:12:13:20:17.18,THB:21:20:15.14.13:17.18|

BDBM531339

Cc1cc(cc(O)c1-c1ccc(NC2CCC3CCC2N3CCO)nn1)C(F)(F)F |TLB:12:13:20:17.18,THB:21:20:13.14.15:17.18|

BDBM531340

CN1C[C@H](CC[C@@H]1CO)Nc1ccc(nn1)-c1c(C)cc(OC(F)(F)F)cc1O

BDBM531341

CN1C[C@@H](CC[C@H]1CO)Nc1ccc(nn1)-c1c(C)cc(OC(F)(F)F)cc1O

BDBM531342

Cc1cc(cc(O)c1-c1ccc(NC[C@](C)(O)CO)nn1)C(F)(F)F

BDBM531343

Cc1cc(cc(O)c1-c1ccc(NC[C@@](C)(O)CO)nn1)C(F)(F)F

BDBM531344

Cc1cc(cc(O)c1-c1ccc(N[C@H]2CC[C@H](O)[C@@H]2O)nn1)C(F)(F)F

BDBM531345

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CC[C@@H](O)[C@H]2O)nn1)C(F)(F)F

BDBM531346

C[C@H](O)C(C)CNc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531347

C[C@@H](O)C(C)CNc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531348

C[C@@H]1NCCC[C@@H]1Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531349

C[C@H]1NCCC[C@H]1Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531350

C[C@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531351

C[C@@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531352

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CNC[C@@H](F)C2)nn1)C(F)(F)F

BDBM531353

Cc1cc(cc(O)c1-c1ccc(N[C@H]2CNC[C@H](F)C2)nn1)C(F)(F)F

BDBM531354

CN1C[C@@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531355

CN1C[C@H](F)C[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531356

CN1C[C@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531357

CN1C[C@@H](F)C[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531358

Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CNC[C@H](F)C2)nn1)C(F)(F)F

BDBM531359

Cc1cc(cc(O)c1-c1ccc(N[C@H]2CNC[C@@H](F)C2)nn1)C(F)(F)F

BDBM531360

CN1C[C@@H](O)C[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531361

Cc1cc(cc(O)c1-c1ccc(NCC2(O)CCCC2)nn1)C(F)(F)F

BDBM531362

CN1CC(CCC1=O)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F

BDBM531363

Cc1cc(nnc1N[C@@H]1CCCNC1)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531364

CCN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM531365

CN1CCC[C@@H](Nc2nnc(cc2C)-c2c(C)cc(cc2O)C(F)(F)F)C1=O |r|

BDBM531366

Cc1cc(C)c(c(O)c1)-c1ccc(NCCc2ccc(cc2)S(N)(=O)=O)nn1

BDBM531367

C[NH+]1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r|

BDBM695514

CCCN1CCC[C@@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695519

CC(=O)N1CCC[C@@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695520

CC(C)(C)OC(=O)N1CCC[C@@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695521

Fc1cccc(c1)S(=O)(=O)N1CCC[C@@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695522

O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\[C@H]1CCCN1C(=O)c1cnccn1

BDBM695523

CCS(=O)(=O)N1CCC[C@@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695524

CS(=O)(=O)CCCN1CCC[C@@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695525

CN1CCC[C@]1(C)\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695526

O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\[C@@H]1CCCN1S(=O)(=O)c1cccnc1

BDBM695527

O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\C1CCOCC1

BDBM695528

CS(=O)(=O)N1CCCC(C1)\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695529

Clc1ccc(s1)S(=O)(=O)N1CCC[C@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695530

O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1

BDBM695531

O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\C1CCCCN1

BDBM695532

C[C@]1(CCCN1)\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695533

CC(C)(C)OC(=O)N1CCC[C@@]1(C)\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695534

CC(=O)N1CCC1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695535

C=CCN1CCC[C@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695536

C[C@]1(CCCN1S(=O)(=O)C1CC1)\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695537

CC(C)(C)OC(=O)N1CC2CC(CC2C1)N1CCC[C@@H]1\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695538

O=C(Nc1c2CCCc2cc2CCCc12)[N-]S(=O)(=O)\C=C\[C@H]1CCCN1C1CCSCC1

BDBM695539

CN1CCC[C@@]1(C)\C=C\S(=O)(=O)[N-]C(=O)Nc1c2CCCc2cc2CCCc12

BDBM695540

CC(C)(C)OC(=O)N1CCC1(C)\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695541

CC[C@]1(CCCN1C(=O)OC(C)(C)C)\C=C\S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12

BDBM695542

CN1CCC[C@@]1(C)\C=C\S(=O)(=O)NC(=O)Nc1cc2CCCc2c2CCCc12

BDBM50528363

C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]23C[C@@]1(O)O[C@H]1C[C@@]4(C)[C@@H](CC=C4[C@@](C)(C21)C(=O)C[C@H]3C(C)C)c1ccoc1 |r,c:25|

BDBM50511879

Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC

BDBM50636641

O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(Cl)ccc1O

BDBM50636642

Cc1ccc2c(c1)NC(=O)[C@@]2(c1cn[nH]c1)c1cc(-c2ccc(C(=O)O)cc2C(=O)O)ccc1O

BDBM50636643

CC(C)c1cc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CCC4C(=O)NCCN4CCOCC4)nc23)ccc1C=O

BDBM50636644

CC(C)c1cc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC[C@H]4C(=O)NCCN4CCOCC4)nc23)ccc1C=O

BDBM50636645

CC(C)c1cc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC[C@@H]4C(=O)NCCN4CCOCC4)nc23)ccc1C=O

BDBM50636646

CC(C)c1cccc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CCC4C(=O)NCCN4CCOCC4)nc23)c1

BDBM50636647

CC(C)c1cc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCCN(S(=O)(=O)c5ccccc5)CC4)nc23)ccc1C=O

BDBM50636648

O=Cc1ccc(-c2cc(C(=O)O)cn3cc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC[C@H]4C(=O)NCCN4CCOCC4)nc23)cc1C(F)(F)F

BDBM50636649

NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(N)=O

BDBM50636650

OC(c1ccc(OC(F)F)cc1)(c1cccc(Br)c1)c1cc[nH]n1

BDBM50636651

Cc1cc(O)c(C(c2cc(C)c(C)cc2O)c2ccccc2S(=O)(=O)O)cc1C

BDBM50636652

Cc1cc(O)c(C(c2cc(C)c(C)cc2O)c2c[nH]nc2C(=O)O)cc1C

BDBM50636653

Cc1cc(O)c(C(c2cc(C3CC(C(=O)O)C3)ccc2O)c2c[nH]nc2C(=O)O)cc1C

BDBM50640746

Cc1ccc2ncccc2c1-c1ccc(O)c(C(=O)O)c1

BDBM50640747

O=C(O)c1cc(NCc2ccccc2OCCOCCOCCOc2ccccc2CNc2cc(C(=O)O)cc(-c3ccnc4ccccc34)c2)cc(-c2ccnc3ccccc23)c1

BDBM50643294

CC(C(=O)N[C@H](C=O)CC(=O)O)n1cccc(NC(=O)CCc2ccccc2)c1=O

BDBM50643295

O=C[C@@H](CC(=O)O)NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O

BDBM50290011

OC(=O)C[C@H](NC(=O)Cn1c(ccc(NC(=O)CCc2ccccc2)c1=O)-c1ccccc1)C=O

BDBM50643296

CC(C(=O)N[C@@H](C=O)CC(=O)O)n1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O

BDBM50058526

OC(=O)COc1ccc(cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H](CC(O)=O)C=O

BDBM50058530

OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1F)C=O

BDBM50355787

COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@]13C)C(=O)[C@](C)(O)C2=O |c:22,t:12,THB:6:5:10.24.9:26.31.28|

BDBM50355788

COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]13C)C(=O)[C@](C)(O)C2=O |r,THB:6:5:10.23.9:25.30.27|

BDBM50355789

C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O

BDBM50355790

COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CCC(=O)OC(C)(C)C4=CC[C@]13C)C(=O)[C@](C)(O)C2=O |r,c:22,THB:6:5:10.24.9:26.31.28|

BDBM50355791

COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CCC(=O)OC(C)(C)[C@@H]4CC[C@]13C)C(=O)[C@](C)(O)C2=O |r,THB:6:5:10.24.9:26.31.28|

BDBM50355792

COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@](C)(CCC(O)=O)C(=CC[C@]13C)C(C)=C)C(=O)[C@](C)(O)C2=O |r,c:18,THB:6:5:10.21.9:26.31.28|

BDBM10355

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r|