SMILES for Epoxide hydrolase 1

CC(C)(C)C1CCC(CC1)NC(=O)NC1CCCCC1 |(5.66,3.05,;5.26,1.57,;6.35,.48,;6.75,1.96,;3.92,.8,;3.92,-.74,;2.59,-1.51,;1.26,-.74,;1.26,.8,;2.59,1.57,;-.08,-1.51,;-1.41,-.74,;-1.41,.8,;-2.74,-1.51,;-4.08,-.74,;-4.08,.8,;-5.41,1.57,;-6.75,.8,;-6.75,-.74,;-5.41,-1.51,)|

BDBM129233

CC(C)(C)CC(C)(C)NC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:11:12:14:17.16.18,THB:16:17:12:14.15.21,16:15:12:17.19.18,19:17:14:12.20.21,19:20:14:17.16.18,(-6.92,-1.18,;-5.59,-.41,;-5.59,1.13,;-6.92,.36,;-4.25,-1.18,;-2.92,-.41,;-3.69,.92,;-2.15,.92,;-1.59,-1.18,;-.25,-.41,;-.25,1.13,;1.08,-1.18,;2.41,-.41,;3.88,1.06,;4.44,2.49,;5.96,2.72,;6.92,1.52,;6.36,.09,;4.84,-.15,;4.83,-1.38,;3.95,-.32,;4.84,1.91,)|

BDBM50124658

CC(C)(C)CC(C)(C)NC(=O)NC1CCCCC1

BDBM50486935

CC(C)(C)NC(=S)NC(=O)c1ccccc1

BDBM100398

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NC1CCCCC1

BDBM129255

CC(C)(C)OC(=O)NCCNC(=O)NC1CCCCC1

BDBM50551739

CC(C)(C)OC(=O)n1cc(CSC(C2CCCC2)C(N)=O)c2ccccc12

BDBM50551687

CC(C)(C)c1ccc(CSC(C(N)=O)c2ccccc2)cc1

BDBM50551770

CC(C)(C)c1ccc(CS[C@@H](C(N)=O)c2ccccc2)cc1 |r|

BDBM50551769

CC(C)(C)c1ccc(CS[C@H](C(N)=O)c2ccccc2)cc1 |r|

BDBM50551768

CC(C)(C)c1ccc(C[S+]([O-])[C@@H](C(N)=O)c2ccccc2)cc1 |r|

BDBM50551767

CC(C)(C)c1ccc(C[S+]([O-])[C@H](C(N)=O)c2ccccc2)cc1 |r|

BDBM50383483

CC(C)(C)c1ccc(NC(=O)NC2CCCCC2)cc1

BDBM409000

CC(C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1

BDBM408998

CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1

BDBM408999

CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F

BDBM50551753

CC(C)C(SCc1ccc(Br)cc1)C(N)=O

BDBM50551756

CC(C)C(SCc1ccc(Cl)cc1Cl)C(N)=O

BDBM50551755

CC(C)C(SCc1ccc(OC(F)(F)F)cc1)C(N)=O

BDBM50551754

CC(C)C(SCc1ccc(cc1)C(C)(C)C)C(N)=O

BDBM50551752

CC(C)C(SCc1cccc(c1)C(F)(F)F)C(N)=O

BDBM129222

CC(C)C1CCC(C)CC1OC(=O)NC1CCCCC1

BDBM50551750

CC(C)CC(SCc1cccc(c1)C(F)(F)F)C(N)=O

BDBM129254

CC(C)CNC(=O)NC1CCCCC1

BDBM50551699

CC(C)Cc1ccc(cc1)C(C)C(N)=O

BDBM129216

CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)NC1CCCCC1 |r|

BDBM50551700

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(N)=O |r|

BDBM41910

CC(C)c1ccc(NC(=O)NC2CCCCC2)cc1

BDBM50383479

CC(C)c1ccc(NC(=O)NCC2CCCCC2)cc1

BDBM129317

CC(C)c1ccc(NC(=O)NCCc2ccccc2)cc1

BDBM129280

CC(NC(=O)NC1CCCCC1)C1C2CC3CC(C2)CC1C3 |TLB:1:12:14:17.16.18,THB:19:17:14:12.20.21,19:20:14:17.16.18,1:12:17.19.18:14.15.21,16:17:12:14.15.21,16:15:12:17.19.18,(.95,1.54,;.95,,;-.38,-.77,;-1.71,,;-1.71,1.54,;-3.05,-.77,;-4.38,,;-4.38,1.54,;-5.71,2.31,;-7.05,1.54,;-7.05,,;-5.71,-.77,;2.29,-.77,;3.97,.44,;4.75,1.77,;6.29,1.75,;7.05,.42,;6.26,-.91,;4.73,-.9,;4.51,-2.11,;3.82,-.92,;5.05,1.13,)|

BDBM129336

CC(O)C1OC1c1ccc(cc1)N(=O)=O

BDBM50551714

CC(SC(C1CCCC1)C(N)=O)c1cccc(c1)C(F)(F)F

BDBM50551771

CC(SC12CC3CC(CC(C3)C1)C2)C(N)=O |TLB:6:7:5.4.10:11,THB:6:5:7.12.8:11,8:7:4:10.9.11,8:9:6.7.12:4|

BDBM50551774

CC(SCc1ccc(Br)cc1)C(N)=O

BDBM50551772

CC(SCc1cccc(c1)C(F)(F)F)C(N)=O

BDBM50551773

CC(Sc1ccc2ccccc2c1)C(N)=O

BDBM50310800

CC1(CCCN(C1)C(=O)NCCCc1cccnc1)c1ccccc1

BDBM50310799

CC1(CCCN(C1)C(=O)NCCc1ccc(Cl)cc1)c1ccccc1

BDBM50310813

CC1(CCCN(C1)C(=O)NCCc1ccc2nc[nH]c2c1)c1ccccc1

BDBM50310817

CC1(CCCN(C1)C(=O)NCCc1ccc2nccnc2c1)c1ccccc1

BDBM50310798

CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccc2[nH]ccc2c1)c1ccccc1

BDBM50310796

CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1cccc(Cl)c1)c1ccccc1

BDBM50310795

CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccccc1C(F)(F)F)c1ccccc1

BDBM50310797

CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccccn1)c1ccccc1

BDBM50310818

CC1(CCCN(C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|

BDBM50310787

CC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM50310789

CC1(CCCN(C1)C(=O)Nc1ccncc1)c1ccccc1

BDBM50551690

CC1(CO)COC1

BDBM129266

CC1CCC(CC1)NC(=O)NC1CCCCC1 |(6,2.31,;4.67,1.54,;4.67,,;3.33,-.77,;2,,;2,1.54,;3.33,2.31,;.67,-.77,;-.67,,;-.67,1.54,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-6,,;-4.67,-.77,)|

BDBM50551701

CC1CCCCC1C(N)=O

BDBM129267

CC1CCCCC1NC(=O)NC1CCCCC1

BDBM100363

CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:14:17:21.19.20,22:20:17:15.14.23,19:18:15:22.21.20,19:20:15:18.17.23|

BDBM100426

CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,13:14:21:17.18.19|

BDBM409002

CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1

BDBM50327809

CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM409011

CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F

BDBM100370

CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:21:13:16:20.18.19,21:19:16:14.13.22,18:17:14:21.20.19,18:19:14:17.16.22|

BDBM50184990

CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(NC(N)=O)cc2)c(Cl)c1

BDBM50184991

CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(cc2)C(C)=O)c(Cl)c1

BDBM50184989

CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(cc2)C(N)=O)c(Cl)c1

BDBM409030

CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |w:2.2|

BDBM129253

CCC(C)NC(=O)NC1CCCCC1

BDBM100427

CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:24:15:22:18.19.20,THB:24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16,14:15:22:18.19.20|

BDBM100371

CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:22:14:17:21.19.20,22:20:17:15.14.23,19:18:15:22.21.20,19:20:15:18.17.23|

BDBM50551758

CCCC(SCc1cccc(c1)C(F)(F)F)C(N)=O

BDBM50551757

CCCCC(SCc1cccc(c1)C(F)(F)F)C(N)=O

CCCCCC1COC1

CCCCCCC1CCO1

CCCCCCCCC1(C)COC1

CCCCCCCCCCCCCC(=O)NC1CCCCC1

BDBM129264

CCCCCCCCCCCCCCNC(=O)NC1CCCCC1

BDBM129263

CCCCCCCCCCCCCNC(=O)NC1CCCCC1

CCCCCCCCCCCCN

CCCCCCCCCCCCN(C)C=O

CCCCCCCCCCCCNC

CCCCCCCCCCCCNC(=O)C(F)(F)F

BDBM50551703

CCCCCCCCCCCCNC(=O)C1CC1

BDBM50551705

CCCCCCCCCCCCNC(=O)CC

BDBM129226

CCCCCCCCCCCCNC(=O)CC1CCCCC1

BDBM50551704

CCCCCCCCCCCCNC(=O)CCC

BDBM50551702

CCCCCCCCCCCCNC(=O)CCCC

BDBM129250

CCCCCCCCCCCCNC(=O)NC(C)(C)CC

BDBM129252

CCCCCCCCCCCCNC(=O)NC1CCC1

BDBM129261

CCCCCCCCCCCCNC(=O)NC1CCCCC1

BDBM100397

CCCCCCCCCCCCNC(=O)NC1CCNCC1

BDBM129249

CCCCCCCCCCCCNC(=O)NCC(C)C

BDBM129251

CCCCCCCCCCCCNC(=O)NCCCC

BDBM100399

CCCCCCCCCCCCNC(=O)Nc1ccc2[nH]ccc2c1

BDBM100409

CCCCCCCCCCCCNC(=O)Nc1ccc2nc[nH]c2c1

BDBM50551706

CCCCCCCCCCCCNC(C)=O

BDBM50551712

CCCCCCCCCCCCNC=O

BDBM50551707

CCCCCCCCCCCCNS(=O)(=O)C(F)(F)F

BDBM50551708

CCCCCCCCCCCCNS(C)(=O)=O

BDBM129248

CCCCCCCCCCCNC(=O)NCCCC

BDBM50143925

CCCCCCCCCCNC(=O)NC1CCCCC1

BDBM129247

CCCCCCCCCCNC(=O)Nc1cccc(Cl)c1

BDBM129246

CCCCCCCCCCNC(=O)Nc1ccccc1

BDBM129213

CCCCCCCCCCOC(=O)NC

BDBM129260

CCCCCCCCCNC(=O)NC1CCCCC1

BDBM50184992

CCCCCCCCCSC(C)C(N)=O

BDBM129239

CCCCCCCCNC(=O)NC(C)C

BDBM129241

CCCCCCCCNC(=O)NC1CCC1

BDBM129242

CCCCCCCCNC(=O)NC1CCCCC1

BDBM129237

CCCCCCCCNC(=O)NCCC

BDBM129238

CCCCCCCCNC(=O)NCCCCC

BDBM129240

CCCCCCCCNC(=O)NCCCCCC

BDBM129244

CCCCCCCCNC(=O)Nc1cccc(Cl)c1

BDBM129243

CCCCCCCCNC(=O)Nc1ccccc1

BDBM129212

CCCCCCCCNC(=O)OC

BDBM129259

CCCCCCCNC(=O)NC1CCCCC1

BDBM129257

CCCCCCNC(=O)NC1CCCCC1

BDBM129318

CCCCCCNC(=O)Nc1ccc(cc1)C(C)C

BDBM129235

CCCCCCNC(=O)Nc1ccc2ccccc2c1

BDBM129236

CCCCCCNC(=O)Nc1cccc(Cl)c1

BDBM129234

CCCCCCNC(=O)Nc1ccccc1

BDBM50383505

CCCCCCc1ccc(NC(=O)NC2CCCCC2)cc1

BDBM129256

CCCCCNC(=O)NC1CCCCC1

BDBM100356

CCCCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:14:17:21.19.20,22:20:17:15.14.23,19:18:15:22.21.20,19:20:15:18.17.23|

BDBM100360

CCCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:21:13:16:20.18.19,21:19:16:14.13.22,18:17:14:21.20.19,18:19:14:17.16.22|

BDBM100355

CCCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:21:13:16:20.18.19,21:19:16:14.13.22,18:17:14:21.20.19,18:19:14:17.16.22|

BDBM100359

CCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:20:12:15:19.17.18,20:18:15:13.12.21,17:16:13:20.19.18,17:18:13:16.15.21|

BDBM129232

CCCNC(=O)NC1CCCCCCCCCCC1

BDBM129320

CCCNC(=O)Nc1cccc2ccccc12

BDBM2202

CCN1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|

BDBM50191874

CCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17|

BDBM100358

CCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:19:11:14:18.16.17,19:17:14:12.11.20,16:15:12:19.18.17,16:17:12:15.14.20|

BDBM129225

CCNC(=O)OC1CCCCC1

BDBM409020

CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1

BDBM409021

CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F

BDBM129319

CCOC(CCCNC(=O)Nc1cccc(Cl)c1)OCC

BDBM129316

CCOC(CNC(=O)Nc1ccc(cc1)C(C)C)OCC

BDBM25738

CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|

BDBM50486930

CCOc1ccc(OCC)c(NC(=S)NC(=O)c2ccccc2)c1

BDBM50486924

CCOc1ccc(OCC)c(NC(=S)NC(C)=O)c1

BDBM409029

CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1 |r|

BDBM409025

CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 |r|

BDBM409024

CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 |r|

BDBM409005

CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r|

BDBM409027

CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(OC(F)(F)F)c1 |r|

BDBM409026

CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(c1)C(F)(F)F |r|

BDBM409014

CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F |r|

BDBM409022

CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(nc1)C(F)(F)F |r|

BDBM50310802

CN(C)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM129307

CN(C)c1ccc(NC(=O)NC2CCCCC2)cc1

BDBM50327856

CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM50310805

CNC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM410785

CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wU:9.8,TLB:28:19:26:22.23.24,THB:28:23:26:19.27.20,27:19:22:26.25.24,27:25:22:19.28.20,18:19:26:22.23.24,(10.42,-.77,;9.08,,;7.75,-.77,;7.75,-2.31,;6.42,,;5.08,-.77,;3.75,,;3.75,1.54,;2.41,2.31,;1.08,1.54,;1.08,,;-.25,-.77,;-1.59,,;-1.59,1.54,;-.25,2.31,;-2.92,-.77,;-4.25,,;-4.25,1.54,;-5.59,-.77,;-6.92,,;-8.25,-.77,;-9.58,,;-9.58,1.54,;-8.25,2.31,;-9,1.14,;-9.02,-1.26,;-10.42,-1.9,;-7.82,-1.93,;-6.92,1.54,;5.08,2.31,;6.42,1.54,)|

BDBM158487

CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:9.8,(11.34,-.77,;10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-8.67,,;-7.34,-.77,;-10,-.77,;-11.34,,;-10,-2.31,;-11.34,-1.54,;6,2.31,;7.34,1.54,)|

BDBM158485

CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,(10.67,-.77,;9.34,,;8,-.77,;8,-2.31,;6.67,,;5.33,-.77,;4,,;4,1.54,;2.67,2.31,;1.33,1.54,;1.33,,;,-.77,;-1.33,,;-1.33,1.54,;,2.31,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-10.67,5.39,;-9.34,4.62,;-12,4.62,;-9.34,,;-8,-.77,;5.33,2.31,;6.67,1.54,)|

BDBM50435764

CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F

BDBM100376

COC(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|

BDBM100381

COC(=O)CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|

BDBM100377

COC(=O)CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|

BDBM100382

COC(=O)CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|

BDBM100436

COC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,13:14:21:17.18.19|

BDBM50551736

COC(=O)c1ccc(CSC(C2CCCC2)C(N)=O)cc1

BDBM100431

COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:22.31.30:27,23:22:25.24.29:27,30:22:25:29.27.28,30:28:25:23.22.31|

BDBM2211

COC(=O)c1ccc(cc1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|

BDBM2210

COC(=O)c1cccc(c1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|

BDBM100378

COC(=O)c1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:30:22:25:29.27.28,30:28:25:23.22.31,27:26:23:30.29.28,27:28:23:26.25.31|

BDBM100383

COC(=O)c1ccccc1C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|

BDBM129332

COC(C1OC1c1ccc(cc1)-c1ccccc1)c1ccccc1

BDBM129327

COC(C1OC1c1ccccc1)c1ccccc1

BDBM50486917

COc1cc(C)ccc1NC(=S)NC(=O)c1ccccc1

BDBM50486913

COc1cc(C)ccc1NC(=S)NC(C)=O

BDBM50486918

COc1cc(ccc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O

BDBM50486932

COc1cc(ccc1NC(=S)NC(C)=O)[N+]([O-])=O

BDBM129297

COc1ccc(CCNC(=O)NC2CCCCC2)cc1OC

BDBM50551764

COc1ccc(CSC(C(N)=O)c2ccccc2)cc1

BDBM50167053

COc1ccc(NC(=O)NC2CCCCC2)cc1

BDBM100435

CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,13:14:21:17.18.19|

BDBM25745

CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM50551731

CS(=O)(=O)c1ccc(CSC(C2CCCC2)C(N)=O)cc1

BDBM50295541

CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1

BDBM50268440

CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)Cc3ccc(Cl)cc3Cl)CCc2c1

BDBM50268326

CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@@H]3CC[C@H](C3)c3ccccc3)CC(=O)c2c1 |r|

BDBM50268321

CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r|

BDBM50268439

CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)CCc2c1

BDBM50268322

CS(=O)(=O)c1ccc2OC3(CCc2c1)CCCN(CC3)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|

BDBM129284

C[C@@H](NC(=O)NC1CCCCC1)c1ccccc1 |r|

BDBM129283

C[C@H](NC(=O)NC1CCCCC1)c1ccccc1 |r|

BDBM100405

Cc1c(COC(=O)NCc2cccnc2)cccc1-c1ccccc1

BDBM100403

Cc1c(COC(=O)NCc2ccncc2)cccc1-c1ccccc1

BDBM50295531

Cc1c(o[nH]c1=O)C1CCN(CC1)C(=O)NC1CC1c1ccccc1

BDBM50551718

Cc1cc(C)cc(CSC(C2CCCC2)C(N)=O)c1

BDBM100407

Cc1cc(OC(=O)N2CCOCC2)ccc1-c1ccccc1

BDBM129296

Cc1ccc(NC(=O)NC2CCCCC2)cc1

BDBM50327850

Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM129281

Cc1cccc(C)c1NC(=O)NC1CCCCC1

BDBM129333

Cc1cccc(c1)C(=O)C1OC1c1ccc(cc1)-c1ccccc1

BDBM129334

Cc1cccc(c1)C(O)C1OC1c1ccc(cc1)-c1ccccc1

BDBM50486912

Cc1ccccc1NC(=S)NC(=O)c1ccccc1

BDBM408986

Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM50295538

Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1

BDBM408985

Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM408992

Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F

BDBM129302

Clc1ccc(CCNC(=O)NC2CCCCC2)cc1

BDBM129301

Clc1ccc(CNC(=O)NC2CCCCC2)cc1

BDBM50443471

Clc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2)c1

BDBM50310791

Clc1ccc(NC(=O)N2CCCC(CCC#N)(C2)c2ccccc2)cc1

BDBM50310804

Clc1ccc(NC(=O)N2CCCC(CCC(=O)NC3=NNNN3)(C2)c2ccccc2)cc1 |t:18|

BDBM50310803

Clc1ccc(NC(=O)N2CCCC(CCC3NN=NN3)(C2)c2ccccc2)cc1 |c:17|

BDBM50124655

Clc1ccc(NC(=O)NC2CCCCC2)cc1

BDBM25730

Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1

BDBM25729

Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl

BDBM50443474

Clc1ccc(NC(=S)NC(=O)c2ccccc2)cc1

BDBM129322

Clc1ccc(cc1)C(=O)NC(=O)NC1CCCCC1

BDBM50167035

Clc1cccc(NC(=O)NC2CCCCC2)c1

BDBM50383480

Clc1cccc(NC(=O)NCC2CCCCC2)c1

BDBM50295552

Cn1cc(nn1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1

BDBM50295528

Cn1cnnc1C1CCN(CC1)C(=O)NC1CC1c1ccccc1

BDBM50268434

Cn1nccc1-c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|

BDBM50268435

Cn1nccc1Nc1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|

BDBM100419

FC(F)(F)C(=O)N1CCC(CC1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:15:22:18.19.20,13:15:18:22.21.20,THB:24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16|

BDBM100420

FC(F)(F)C(=O)N1CCC(CC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:20.19.21,15:16:19:23.22.21,THB:24:22:19:17.25.16,24:16:19:23.22.21,25:20:23:24.17.16|

BDBM100412

FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:16.25.24:21,17:16:19.18.23:21,24:16:19:23.21.22,24:22:19:17.16.25|

BDBM100425

FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:24:16:19:23.21.22,24:22:19:17.16.25,17:18:16.25.24:21,17:16:19.18.23:21|

BDBM100401

FC(F)(F)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:24:15:22:18.19.20,THB:14:15:22:18.19.20,24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16|

BDBM50383484

FC(F)(F)Oc1ccc(NC(=O)NC2CCCCC2)cc1

BDBM50327847

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C(F)(F)F)cc1

BDBM408984

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2=COCC2)cc1 |t:22|

BDBM50327846

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1

BDBM408987

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1

BDBM408996

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1

BDBM408978

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)cc1

BDBM408983

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)cc1 |r|

BDBM408981

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1

BDBM408982

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1

BDBM2197

FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1

BDBM100411

FC(F)(F)Oc1ccc(NC(=O)NC2CCNCC2)cc1

BDBM50454598

FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)|

BDBM50486927

FC(F)(F)c1cc(NC(=S)NC(=O)c2ccccc2)ccc1Br

BDBM409007

FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)cc1

BDBM408991

FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2=COCC2)cc1 |t:21|

BDBM408994

FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1

BDBM408997

FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1

BDBM408988

FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)cc1

BDBM408990

FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)cc1 |r|

BDBM408995

FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1

BDBM408989

FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1

BDBM50268438

FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CC1)CCc1ccccc1O2

BDBM50295540

FC(F)(F)c1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1

BDBM409028

Fc1cc(NC(=O)CC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F

BDBM409016

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1C(F)(F)F

BDBM409009

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1OC(F)(F)F

BDBM409012

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1C(F)(F)F

BDBM409003

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F

BDBM409015

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)ccc1C(F)(F)F

BDBM409006

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)ccc1OC(F)(F)F

BDBM409013

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)ccc1C(F)(F)F

BDBM409017

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)ccc1C(F)(F)F

BDBM409008

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)ccc1OC(F)(F)F

BDBM409019

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)ccc1OC(F)(F)F

BDBM409023

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)N2CCOCC2)ccc1OC(F)(F)F

BDBM409004

Fc1cc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)ccc1OC(F)(F)F |r|

BDBM409018

Fc1cc(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)ccc1OC(F)(F)F

BDBM129300

Fc1ccc(NC(=O)NC2CCCCC2)cc1

BDBM129342

Fc1ccc(cc1)C1OC1C(=O)c1ccccc1

BDBM50268441

Fc1ccc2OC3(CCN(CC3)C(=O)CCc3ccccc3)CCc2c1

BDBM50268320

Fc1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r|

BDBM129304

Ic1ccc(NC(=O)NC2CCCCC2)cc1

BDBM50551744

NC(=O)C(Br)C1CCCC1

BDBM50551746

NC(=O)C(C1CCCCC1)C1CCCCC1

BDBM50551747

NC(=O)C(Cc1ccccc1)c1ccccc1

BDBM50551743

NC(=O)C(S)C1CCCC1

BDBM50551766

NC(=O)C(SC12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:8:9:7.6.12:13,THB:8:7:9.14.10:13,10:9:6:12.11.13,10:11:8.9.14:6|

BDBM50551722

NC(=O)C(SCC1CCCCC1)C1CCCC1

BDBM50551713

NC(=O)C(SCCc1cccc(c1)C(F)(F)F)C1CCCC1

BDBM50551724

NC(=O)C(SCc1c(F)cccc1F)C1CCCC1

BDBM50551719

NC(=O)C(SCc1cc(Br)cc(Br)c1)C1CCCC1

BDBM50551720

NC(=O)C(SCc1cc(Cl)cc(Cl)c1)C1CCCC1

BDBM50551723

NC(=O)C(SCc1cc(F)cc(F)c1)C1CCCC1

BDBM50551715

NC(=O)C(SCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C1CCCC1

BDBM50551760

NC(=O)C(SCc1ccc(Br)cc1)c1ccccc1

BDBM50551717

NC(=O)C(SCc1ccc(Cl)c(OC(F)(F)F)c1)C1CCCC1

BDBM50551761

NC(=O)C(SCc1ccc(Cl)cc1Cl)c1ccccc1

BDBM50551742

NC(=O)C(SCc1ccc(Cl)nc1)C1CCCC1

BDBM50551716

NC(=O)C(SCc1ccc(F)c(c1)C(F)(F)F)C1CCCC1

BDBM50551763

NC(=O)C(SCc1ccc(F)cc1)c1ccccc1

BDBM50551762

NC(=O)C(SCc1ccc(OC(F)(F)F)cc1)c1ccccc1

BDBM50551728

NC(=O)C(SCc1ccc(cc1)C#N)C1CCCC1

BDBM50551733

NC(=O)C(SCc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C1CCCC1

BDBM50551735

NC(=O)C(SCc1ccc(cc1)C(O)=O)C1CCCC1

BDBM50551727

NC(=O)C(SCc1ccc(cc1)[N+]([O-])=O)C1CCCC1

BDBM50551738

NC(=O)C(SCc1ccc2ccccc2c1)C1CCCC1

BDBM50551721

NC(=O)C(SCc1cccc(OC(F)(F)F)c1)C1CCCC1

BDBM50551737

NC(=O)C(SCc1cccc(c1)B(O)O)C1CCCC1

BDBM50551729

NC(=O)C(SCc1cccc(c1)C#N)C1CCCC1

BDBM50551732

NC(=O)C(SCc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)C1CCCC1

BDBM50551749

NC(=O)C(SCc1cccc(c1)C(F)(F)F)C1CCCC1

BDBM50551748

NC(=O)C(SCc1cccc(c1)C(F)(F)F)C1CCCCC1

BDBM50551751

NC(=O)C(SCc1cccc(c1)C(F)(F)F)SCc1cccc(c1)C(F)(F)F

BDBM50551759

NC(=O)C(SCc1cccc(c1)C(F)(F)F)c1ccccc1

BDBM50551734

NC(=O)C(SCc1cccc(c1)C(O)=O)C1CCCC1

BDBM50551726

NC(=O)C(SCc1cccc(c1)[N+]([O-])=O)C1CCCC1

BDBM50551741

NC(=O)C(SCc1ccnc(Cl)c1)C1CCCC1

BDBM50551740

NC(=O)C(SCc1csc2ccc(Cl)cc12)C1CCCC1

BDBM50551765

NC(=O)C(Sc1cccc(F)c1)c1ccccc1

BDBM50310801

NC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM50028645

NC(Cc1ccccc1)Cc1ccccc1

BDBM50551745

NCC(C1CCCCC1)C1CCCCC1

BDBM129306

Nc1ccc(CNC(=O)NC2CCCCC2)cc1

BDBM129305

Nc1ccc(NC(=O)NC2CCCCC2)cc1

BDBM6120

O=C(C1OC1c1ccc(cc1)-c1ccccc1)c1ccccc1

BDBM6129

O=C(C1OC1c1cccc2ccccc12)c1ccccc1

BDBM129323

O=C(C1OC1c1ccccc1)c1ccccc1

BDBM129228

O=C(CC1CCCCC1)NC1CCCCC1

BDBM2201

O=C(CC1CCC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|

BDBM2199

O=C(CC1CC[NH2+]CC1)NC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|

BDBM129230

O=C(CCCCc1ccccc1)NC1CCCCC1

BDBM50486929

O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:9:10:7.8.13:14,THB:9:8:14:15.10.11,11:10:7:13.12.14,11:12:7:15.9.10|

BDBM50486911

O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1

BDBM50486936

O=C(NC(=S)Nc1ccc(cc1)N1CCOCC1)c1ccccc1

BDBM50443477

O=C(NC(=S)Nc1ccccc1)c1ccccc1

BDBM50486916

O=C(NC(=S)Nc1ccncc1)c1ccccc1

BDBM129311

O=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,13:14:17:21.20.19,13:14:21:17.18.19,12:3:10:6.7.8,THB:23:18:21:14.22.15,2:3:10:6.7.8,22:14:17:21.20.19,22:20:17:14.23.15,12:7:10:3.11.4,11:3:6:10.9.8,11:9:6:3.12.4|

BDBM129310

O=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,13:14:17:21.20.19,2:3:6:10.9.8,12:3:10:6.7.8,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,12:7:10:3.11.4,11:3:6:10.9.8,11:9:6:3.12.4|

BDBM50295548

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1

BDBM50295543

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1

BDBM50295544

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1

BDBM50295545

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1

BDBM50295547

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12

BDBM50295546

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ncccn1

BDBM50295539

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1

BDBM50295537

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1ncon1

BDBM50295536

O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nnco1

BDBM50295530

O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cccn1

BDBM50295551

O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1ccnn1

BDBM50295529

O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cncn1

BDBM129278

O=C(NC1CC2CCC1C2)NC1CCCCC1 |TLB:2:3:7.6:9|

BDBM129265

O=C(NC1CCCC1)NC1CCCCC1

BDBM25732

O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|

BDBM100396

O=C(NC1CCCCC1)NC12CN3CN(CN(C3)C1)C2 |TLB:19:10:17:13.14.15,THB:19:14:17:10.18.11,18:10:13:17.16.15,18:16:13:10.19.11,9:10:17:13.14.15|

BDBM129279

O=C(NC1CCCCC1)NC1C2CC3CC(C2)CC1C3 |TLB:9:10:12:15.14.16,THB:17:15:12:10.18.19,17:18:12:15.14.16,14:15:10:12.13.19,14:13:10:15.17.16,(-.81,.96,;-.81,-.58,;-2.14,-1.35,;-3.48,-.58,;-3.48,.96,;-4.81,1.73,;-6.15,.96,;-6.15,-.58,;-4.81,-1.35,;.52,-1.35,;1.86,-.58,;3.17,1.03,;3.58,2.51,;5.07,2.89,;6.15,1.8,;5.73,.31,;4.25,-.07,;4.35,-1.3,;3.37,-.34,;4.03,1.97,)|

BDBM25731

O=C(NC1CCCCC1)NC1CCCCC1

BDBM129276

O=C(NC1CCCCC1)NC1CCCCCC1

BDBM41921

O=C(NC1CCCCC1)NC1CCCCCCC1

BDBM129277

O=C(NC1CCCCC1)NC1CCCCCCCCCCC1

BDBM129291

O=C(NC1CCCCC1)NC1CCCc2ccccc12

BDBM100413

O=C(NC1CCCCC1)NC1CCNCC1

BDBM129293

O=C(NC1CCCCC1)Nc1c2ccccc2nc2ccccc12

BDBM129295

O=C(NC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1

BDBM129298

O=C(NC1CCCCC1)Nc1ccc(cc1)C#N

BDBM100400

O=C(NC1CCCCC1)Nc1ccc2[nH]ccc2c1

BDBM100410

O=C(NC1CCCCC1)Nc1ccc2nc[nH]c2c1

BDBM129292

O=C(NC1CCCCC1)Nc1cccc2ccccc12

BDBM50167056

O=C(NC1CCCCC1)Nc1ccccc1

BDBM129289

O=C(NC1CCCCC1)Nc1ccncc1

BDBM129272

O=C(NC1CCCCC1)Nc1nnn[nH]1

BDBM129221

O=C(NC1CCCCC1)OC1C2CC3CC(C2)CC1C3 |TLB:9:10:15.17.16:12.13.19,THB:17:15:12:10.18.19,17:18:12:15.14.16,14:15:10:12.13.19,14:13:10:15.17.16,(-1.09,1.54,;-1.09,,;-2.43,-.77,;-3.76,,;-3.76,1.54,;-5.09,2.31,;-6.43,1.54,;-6.43,,;-5.09,-.77,;.24,-.77,;1.57,,;3.37,1.04,;4.28,2.28,;5.81,2.11,;6.43,.7,;5.52,-.54,;3.99,-.37,;3.65,-1.56,;3.08,-.31,;4.51,1.62,)|

BDBM129214

O=C(NC1CCCCC1)OC1CCCCC1

BDBM129217

O=C(NC1CCCCC1)OCCCCC1CCCCC1

BDBM129224

O=C(NC1CCCCC1)OCc1c2ccccc2cc2ccccc12

BDBM129220

O=C(NC1CCCCC1)OCc1ccc(cc1)-c1ccccc1

BDBM129223

O=C(NC1CCCCC1)OCc1cccc2ccccc12

BDBM50128573

O=C(NC1CCCCC1)Oc1ccc2ccccc2c1

BDBM129312

O=C(NC1CCCCCCCCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|

BDBM100428

O=C(NC1CCN(CC1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:27:18:25:21.22.23,THB:27:22:25:18.26.19,26:18:21:25.24.23,26:24:21:18.27.19,17:18:25:21.22.23|

BDBM100415

O=C(NC1CCN(CC1)C(=O)c1ccccc1)NC1CCN(CC1)C(=O)c1ccccc1

BDBM100430

O=C(NC1CCN(CC1)C(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:18.27.26:23,19:18:21.20.25:23,26:18:21:25.23.24,26:24:21:19.18.27|

BDBM100367

O=C(NC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|

BDBM100368

O=C(NC1CCN(CC1)C(=O)c1ccncc1)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|

BDBM100357

O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|

BDBM50191891

O=C(NC1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10,9:10:13:17.16.15|

BDBM100414

O=C(NC1CCNCC1)NC1CCNCC1

BDBM50268324

O=C(NC1CCc2ccccc12)N1CCC2(CC1)CC(=O)c1ccccc1O2

BDBM50295532

O=C(NC1CCc2ccccc2C1)N1CCC(CC1)c1nc(no1)-c1ccccn1

BDBM50268442

O=C(NC1CCc2ccccc2C1)N1CCC2(CC1)CC(=O)c1ccccc1O2

BDBM50295550

O=C(NC1CCc2ccccc2CC1)N1CCC(CC1)c1nc(no1)-c1ccccn1

BDBM50268325

O=C(NC1CCc2ccccc2CC1)N1CCC2(CC1)CC(=O)c1ccccc1O2

BDBM50295533

O=C(NC1Cc2ccccc2C1)N1CCC(CC1)c1nc(no1)-c1ccccn1

BDBM129229

O=C(NCC1CCCCC1)C1CCCCC1

BDBM129285

O=C(NCC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14:18.17.16,20:11:18:14.15.16,THB:19:11:14:18.17.16,19:17:14:11.20.12,20:15:18:11.19.12|

BDBM129268

O=C(NCC1CCCCC1)NC1CCCCC1

BDBM129294

O=C(NCC1CCCCC1)Nc1ccc2ccccc2c1

BDBM129286

O=C(NCC1CCCCC1)Nc1ccccc1

BDBM100372

O=C(NCC1CCN(CC1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|

BDBM100373

O=C(NCC1CCN(CC1)C(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|

BDBM100374

O=C(NCC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|

BDBM100375

O=C(NCC1CCN(CC1)C(=O)c1ccncc1)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|

BDBM100361

O=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|

BDBM50191866

O=C(NCC1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16|

BDBM129270

O=C(NCCC1=CCCCC1)NC1CCCCC1 |t:5|

BDBM129315

O=C(NCCC1=CCCCC1)NCc1ccccc1 |t:5|

BDBM129269

O=C(NCCC1CCCCC1)NC1CCCCC1

BDBM129288

O=C(NCCCCc1ccccc1)NC1CCCCC1

BDBM129274

O=C(NCCCN1CCOCC1)NC1CCCCC1

BDBM50383476

O=C(NCCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|

BDBM129287

O=C(NCCCc1ccccc1)NC1CCCCC1

BDBM129313

O=C(NCCCc1ccccc1)Nc1ccccc1

BDBM129273

O=C(NCCNc1ccccc1)NC1CCCCC1

BDBM50167058

O=C(NCCc1ccccc1)NC1CCCCC1

BDBM129314

O=C(NCCc1ccccc1)NCc1ccccc1

BDBM129271

O=C(NCCc1cnc[nH]1)NC1CCCCC1

BDBM129282

O=C(NCc1ccccc1)NC1CCCCC1

BDBM100404

O=C(NCc1cccnc1)Oc1cccc(c1)-c1ccccc1

BDBM129290

O=C(NCc1ccncc1)NC1CCCCC1

BDBM100402

O=C(NCc1ccncc1)Oc1cccc(c1)-c1ccccc1

BDBM50295534

O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r|

BDBM50268381

O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r|

BDBM50268380

O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 |r|

BDBM50268382

O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ncccc1O2 |r|

BDBM50268437

O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|

BDBM50268384

O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r|

BDBM25725

O=C(Nc1ccccc1)Nc1ccccc1

BDBM100406

O=C(Oc1cccc(c1)-c1ccccc1)N1CCOCC1

BDBM50551697

O=C1COC1

BDBM50551775

O=C1NC(=S)S\C1=C\c1ccccc1

BDBM50551698

O=CNC(Cc1ccccc1)Cc1ccccc1

BDBM129330

O=NC(C1OC1c1ccc(cc1)-c1ccccc1)c1ccccc1

BDBM129325

O=NC(C1OC1c1ccccc1)c1ccccc1

BDBM129331

O=S(C1OC1c1ccc(cc1)-c1ccccc1)c1ccccc1

BDBM129326

O=S(C1OC1c1ccccc1)c1ccccc1

BDBM409001

OC(=O)CC1(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(cc2)C(F)(F)F)CCCCC1

BDBM50310819

OC(=O)CC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM100386

OC(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|

BDBM100391

OC(=O)CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:24:16:19:23.21.22,24:22:19:17.16.25,21:20:17:24.23.22,21:22:17:20.19.25|

BDBM50310810

OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F

BDBM50310816

OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1cccc(c1)C(F)(F)F

BDBM50310808

OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM50310809

OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F

BDBM50310811

OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccncc1

BDBM100387

OC(=O)CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|

BDBM100392

OC(=O)CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|

BDBM50310820

OC(=O)CCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM50310821

OC(=O)CCCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM25737

OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|

BDBM129262

OC(=O)CCCCCCCCCCCNC(=O)NC1CCCCC1

BDBM129321

OC(=O)CCCCCCCCCCCNC(=O)Nc1ccc2ccccc2c1

BDBM25739

OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|

BDBM25741

OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|

BDBM158481

OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)|

BDBM50295542

OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1

BDBM100390

OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|

BDBM100395

OC(=O)c1ccc(cc1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:28:20:23:27.25.26,28:26:23:21.20.29,25:24:21:28.27.26,25:26:21:24.23.29|

BDBM100389

OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|

BDBM100394

OC(=O)c1cccc(c1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:28:20:23:27.25.26,28:26:23:21.20.29,25:24:21:28.27.26,25:26:21:24.23.29|

BDBM100388

OC(=O)c1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|

BDBM100393

OC(=O)c1ccccc1C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:28:20:23:27.25.26,28:26:23:21.20.29,25:24:21:28.27.26,25:26:21:24.23.29|

BDBM129328

OC(C1OC1c1ccc(F)cc1)c1ccccc1

BDBM129329

OC(C1OC1c1ccc(cc1)-c1ccccc1)c1ccccc1

BDBM129324

OC(C1OC1c1ccccc1)c1ccccc1

BDBM50268383

OC1CC2(CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)Oc2cccnc12 |r|

BDBM50551691

OC1COC1

BDBM129339

OCC1OC1c1ccc(cc1)N(=O)=O

BDBM129337

OCC1OC1c1ccccc1

BDBM50310792

OCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM50310793

OCCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1

BDBM129258

OCCCCCCNC(=O)NC1CCCCC1

BDBM129215

OCc1ccccc1OC(=O)NC1CCCCC1

BDBM50124657

Oc1ccc(NC(=O)NC2CCCCC2)cc1

BDBM50454599

Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)|

BDBM129219

[O-][N+](=O)c1ccc(CCCCOC(=O)NC2CCCCC2)cc1

BDBM129309

[O-][N+](=O)c1ccc(CNC(=O)NC2CCCCC2)cc1

BDBM129308

[O-][N+](=O)c1ccc(NC(=O)NC2CCCCC2)cc1