SMILES for Alpha-2B adrenergic receptor

C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|

BDBM85092

C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1

BDBM50370624

C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1

BDBM50370662

C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1

BDBM50000214

C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|

BDBM50027060

C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|

BDBM50493430

C(Oc1ccccc1CC1CC1)C1=NCCN1 |t:14|

BDBM50493431

C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14|

BDBM50473229

C([C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)c1ccccc1 |t:11,THB:8:7:6:3.4|

BDBM50473232

C([C@H]1CCCC[C@@H]1NC1=NCCO1)c1ccccc1 |t:9|

BDBM50131360

C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1 |c:17|

BDBM50473226

C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:20,THB:16:15:14:12.11|

BDBM50085678

C1CC(c2cnc[nH]2)c2ccsc2C1

BDBM50417011

C1CC11c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM50070328

C1CC1C(NC1=NCCO1)C1CC1 |t:6|

BDBM50262235

C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|

BDBM50002151

C1CN(CCN1)c1nccn2ccnc12

BDBM50412251

C1CN=C(N1)C(Oc1ccccc1)c1ccccc1 |c:2|

BDBM50412257

C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|

BDBM50419929

C1CN=C(N1)C1COC(CO1)(c1ccccc1)c1ccccc1 |c:2|

BDBM50419930

C1CN=C(N1)C1COCC(O1)(c1ccccc1)c1ccccc1 |c:2|

BDBM50412256

C1CN=C(N1)C1COc2c(O1)cccc2-c1ccccc1 |c:2|

BDBM50412255

C1CN=C(N1)C1COc2cc(ccc2O1)-c1ccccc1 |c:2|

BDBM50412254

C1CN=C(N1)C1COc2ccc(cc2O1)-c1ccccc1 |c:2|

BDBM50412253

C1CN=C(N1)C1COc2cccc(-c3ccccc3)c2O1 |c:2|

BDBM50019848

C1CN=C(N1)C1COc2ccccc2O1 |c:2|

BDBM50476186

C1CN=C(N1)C1OC1c1ccccc1-c1ccccc1 |c:2|

BDBM50419927

C1CN=C(N1)[C@@H]1COC[C@@H](O1)c1ccccc1 |r,c:2|

BDBM50419928

C1CN=C(N1)[C@@H]1COC[C@H](O1)c1ccccc1 |r,c:2|

BDBM50419925

C1CN=C(N1)[C@@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|

BDBM50419926

C1CN=C(N1)[C@@H]1CO[C@H](CO1)c1ccccc1 |r,c:2|

BDBM50419931

C1CN=C(N1)[C@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|

BDBM50086502

C1CN=C(N1)c1cc2ccccc2o1 |c:2|

BDBM50212993

C1CN=C(NC2CCCCCC2)O1 |t:2|

BDBM50212995

C1CN=C(NC2CCCc3ccccc23)O1 |t:2|

BDBM50473225

C1CN=C(N[C@H]2CCCC[C@@H]2c2ccccc2)O1 |t:2|

BDBM50213029

C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|

BDBM50212994

C1CN=C(O1)N1CCOCC1 |c:2|

BDBM50212996

C1COC(NC2CCCc3ccccc23)=NC1 |c:16|

BDBM50085682

C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8|

BDBM50085680

C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|

BDBM50031319

C1NC=NC11CCc2ccccc2C1 |c:2|

BDBM50236732

C1Oc2cc3CCNCc3cc2O1

BDBM50417006

C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

BDBM50140058

C=CCN(CCc1c[nH]c2ccccc12)CC=C

BDBM81805

C=CCN1Cc2ccccc2-c2ccccc2C1

BDBM50193035

C=CCc1ccccc1NCC1=NCCN1 |t:12|

BDBM50473154

C=CCc1ccccc1OCC1=NCCN1 |t:12|

BDBM81806

C=CCn1c(cc2ccccc12)C1=NCCN1 |t:14|

BDBM50370625

CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1

BDBM50471698

CC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:3,8|

BDBM50471690

CC(=O)C1=C(C)NC(C)=C(C1c1ccc2OCOc2c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:3,8|

BDBM50569555

CC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:13|

BDBM50474648

CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

BDBM42323

CC(=O)c1ccc2Sc3ccccc3Nc2c1

BDBM50263671

CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1

BDBM50008735

CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34

BDBM50471705

CC(C)C1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(N1)C(C)C)c1ccc(cc1)[N+]([O-])=O)C(N)=O |c:33,t:3|

BDBM50050094

CC(C)C1C2CCC(C2)C1N |TLB:10:9:8:5.6,THB:1:3:8:5.6|

BDBM81993

CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|

BDBM50417014

CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM50088394

CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1

BDBM50419887

CC(C)Oc1ccccc1OC(C)C1=NCCN1 |t:14|

BDBM50473673

CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 |t:15|

BDBM50196119

CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1

BDBM50419876

CC(C)c1ccccc1OC(C)C1=NCCN1 |t:13|

BDBM85818

CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12

BDBM50017679

CC(COc1ccccc1)N(CCCl)Cc1ccccc1

BDBM86286

CC(N)C(=O)c1ccccc1

BDBM50027502

CC(N)C(O)c1ccc(O)c(O)c1

BDBM50022722

CC(N)C(O)c1ccccc1

BDBM50133229

CC(N)Cc1c[nH]c2ccc3OCCCc3c12

BDBM50473619

CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

BDBM50196117

CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1

BDBM50415135

CC(OC1=NCCN1)c1ccccc1 |t:3|

BDBM50415137

CC(OC1=NCCN1)c1ccccc1C |t:3|

BDBM50415139

CC(OC1=NCCN1)c1ccccc1C1CC1 |t:3|

BDBM50415136

CC(OC1=NCCN1)c1ccccc1CC=C |t:3|

BDBM50419889

CC(Oc1c(C)cccc1C)C1=NCCN1 |t:12|

BDBM50419885

CC(Oc1c(CC=C)cccc1CC=C)C1=NCCN1 |t:16|

BDBM50019646

CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|

BDBM50419873

CC(Oc1c(cccc1-c1ccccc1)-c1ccccc1)C1=NCCN1 |t:24|

BDBM50412260

CC(Oc1ccccc1)C1=NCCN1 |t:10|

BDBM50476175

CC(Oc1ccccc1-c1ccc(C)cc1)C1=NCCN1 |t:18|

BDBM50476174

CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 |t:18|

BDBM50476187

CC(Oc1ccccc1-c1ccc(cc1)[N+]([O-])=O)C1=NCCN1 |t:20|

BDBM50476173

CC(Oc1ccccc1-c1cccc(C)c1)C1=NCCN1 |t:18|

BDBM50002903

CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 |t:18|

BDBM50476185

CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 |t:18|

BDBM50417350

CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|

BDBM50002904

CC(Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|

BDBM50476184

CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 |t:17|

BDBM50412250

CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

BDBM50476172

CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 |t:17|

BDBM50476176

CC(Oc1ccccc1-c1ccccc1)C1=NCCS1 |t:17|

BDBM50476188

CC(Oc1ccccc1-c1ccccc1C)C1=NCCN1 |t:18|

BDBM50476180

CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 |t:18|

BDBM50476177

CC(Oc1ccccc1-c1ccccc1[N+]([O-])=O)C1=NCCN1 |t:20|

BDBM50476179

CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 |t:17|

BDBM50002905

CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|

BDBM50476178

CC(Oc1ccccc1-c1cccs1)C1=NCCN1 |t:16|

BDBM50476181

CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 |t:17|

BDBM50417347

CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 |t:16|

BDBM50419874

CC(Oc1ccccc1Br)C1=NCCN1 |t:11|

BDBM50419877

CC(Oc1ccccc1C(C)=C)C1=NCCN1 |t:13|

BDBM50419888

CC(Oc1ccccc1C(C)=O)C1=NCCN1 |t:13|

BDBM50419875

CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 |t:14|

BDBM50417344

CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14|

BDBM50412244

CC(Oc1ccccc1C1CCCC1)C1=NCCN1 |t:16|

BDBM50412258

CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 |t:17|

BDBM50419883

CC(Oc1ccccc1C=O)C1=NCCN1 |t:12|

BDBM50419878

CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|

BDBM50412245

CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|

BDBM50412249

CC(Oc1ccccc1CN=O)C1=NCCN1 |t:13|

BDBM50419890

CC(Oc1ccccc1Cl)C1=NCCN1 |t:11|

BDBM50419880

CC(Oc1ccccc1OC1CC1)C1=NCCN1 |t:15|

BDBM50419891

CC(Oc1ccccc1OC=C)C1=NCCN1 |t:13|

BDBM50419882

CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 |t:14|

BDBM50412246

CC(Oc1ccccc1\C=N\OCc1ccccc1)C1=NCCN1 |t:21|

BDBM50476182

CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

BDBM50417018

CC1(C)[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

BDBM50471699

CC1=C(C#N)C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc(cc1)[N+]([O-])=O |c:1,t:33|

BDBM50471691

CC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc2OCOc2c1)C(N)=O |t:1,31|

BDBM50471688

CC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc2OCOc2c1)C(O)=O |t:1,31|

BDBM50090335

CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|

BDBM50090338

CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|

BDBM50090332

CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|

BDBM50090339

CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|

BDBM50160146

CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|

BDBM50068828

CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|

BDBM50387827

CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|

BDBM50387826

CC1CCC(N1)=Nc1ccccc1Cl |w:6.7|

BDBM50196132

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1

BDBM50196112

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)ccc(C)c23)cc1

BDBM50196146

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1

BDBM50196148

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1

BDBM50196113

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1

BDBM50418050

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1

BDBM50196120

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1

BDBM50196121

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(C)c23)cc1

BDBM50196138

CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(Cl)c23)cc1

BDBM50196131

CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1

BDBM50196129

CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1

BDBM50196115

CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1

BDBM50196142

CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1

BDBM50213345

CC1CN=C(Nc2ccc3nccnc3c2Br)N1 |t:3|

BDBM50387823

CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|

BDBM50387824

CC1COC(N1)=NC(C1CC1)C1CC1 |w:6.7|

BDBM82520

CC1N(CC2=NCCN2)Cc2ccccc12 |t:4|

BDBM50417007

CCC1(Cc2ccc(F)cc2C1)c1cnc[nH]1

BDBM81807

CCC1(Cc2ccccc2C1)c1cnc[nH]1

BDBM50471694

CCC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O |t:2,32|

BDBM50081817

CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|

BDBM50081821

CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|

BDBM50081828

CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|

BDBM50081823

CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|

BDBM50081818

CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|

BDBM50081824

CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|

BDBM50081819

CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|

BDBM50326219

CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1

BDBM50318484

CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|

BDBM84950

CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1

BDBM50327860

CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1

BDBM50327863

CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1

BDBM50327861

CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1

BDBM50263673

CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1

BDBM50263672

CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1

BDBM81816

CCCCS(=O)(=O)N(C)[C@H]1CCN2CCc3ccccc3[C@H]2C1

BDBM21393

CCCN(CCC)C1CCc2cccc(O)c2C1

BDBM50020680

CCCN(CCC)CCc1cccc2NC(=O)Cc12

BDBM50251208

CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|

BDBM84637

CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|

BDBM50016017

CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12

BDBM86475

CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O

BDBM50028421

CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13

BDBM50017550

CCCNC1CCc2nc(N)sc2C1

BDBM50116766

CCCN[C@H]1CCc2nc(N)sc2C1 |r|

BDBM50236779

CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1 |r|

BDBM50417021

CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM81808

CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1

BDBM50473224

CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|

BDBM50212997

CCC[C@H]1CCCCC1NC1=NCCO1 |t:11|

BDBM50473228

CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|

BDBM50417009

CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

BDBM50417012

CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM50415138

CCCc1ccccc1C(C)OC1=NCCN1 |t:13|

BDBM50415140

CCCc1ccccc1COC1=NCCN1 |t:12|

BDBM50193036

CCCc1ccccc1NCC1=NCCN1 |t:12|

BDBM50493433

CCCc1ccccc1OC(C)C1=NCCN1 |t:13|

BDBM50473179

CCCc1ccccc1OCC1=NCCN1 |t:12|

BDBM50017519

CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1

BDBM22985

CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12

BDBM50196106

CCN(CC)CCNc1ccc(Nc2c(CC)c(C)nc3c(C)cccc23)cc1

BDBM50467780

CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12

BDBM50196122

CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

BDBM50081826

CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|

BDBM86052

CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1

BDBM81803

CCOC1(COc2ccccc2O1)C1=NCCN1 |t:15|

BDBM50417015

CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM50412247

CCO\N=C\c1ccccc1OC(C)C1=NCCN1 |t:15|

BDBM50511341

CCOc1cc(nnc1C(F)(F)F)N1CCC2(CC1)C(=O)Nc1ccc(Br)cc21

BDBM81815

CCOc1ccc(CC(NC(=O)CC2(S)CCCCC2)C(=O)NC(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C=S)C(=O)NC(CCCCN)C(N)=O)cc1

BDBM50419879

CCOc1ccccc1OC(C)C1=NCCN1 |t:13|

BDBM50060964

CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O

BDBM50474632

CCS(=O)(=O)Nc1ccc2CCCC(c3c[nH]cn3)c2c1

BDBM50118705

CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1

BDBM50474633

CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

BDBM50474660

CCS(=O)(=O)Nc1cccc2C(CCc12)c1c[nH]cn1

BDBM50473668

CCS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:14|

BDBM50417010

CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

BDBM50503043

CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|

BDBM50503047

CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|

BDBM50503044

CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|

BDBM50417013

CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM50130290

CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12

BDBM50196143

CCc1c(C)nc2CCCCc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1

BDBM50196147

CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1

BDBM50196136

CCc1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1

BDBM50171290

CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

BDBM50419884

CCc1cccc(CC)c1OC(C)C1=NCCN1 |t:14|

BDBM50419886

CCc1ccccc1OC(C)C1=NCCN1 |t:12|

BDBM50030615

CCc1sc2ccc(Cl)c3CCN(C)Cc1c23

BDBM85234

CCn1ccnc1CC1COc2ccccc2O1

BDBM50471704

CN(C)C(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:5,10|

BDBM50408216

CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1-c1ccccc1

BDBM50408199

CN(C)C(=O)c1cnc2n(C)nc(C)c2c1NCCCN1CCN(CC1)c1ccccc1OCC(F)(F)F

BDBM81812

CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc12

BDBM50001888

CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12

BDBM35255

CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|

BDBM50304075

CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1

BDBM86187

CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|

BDBM50474638

CN(c1cccc2C(CCCc12)c1c[nH]cn1)S(C)(=O)=O

BDBM50090330

CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|

BDBM50090333

CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|

BDBM50090326

CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|

BDBM50090328

CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|

BDBM50019855

CN1C(Cc2cc(F)ccc12)C1=NCCN1 |t:13|

BDBM84994

CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21

BDBM81811

CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O

BDBM50084959

CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1

BDBM50196111

CN1CCCN(C1)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1

BDBM50253157

CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|

BDBM50547397

CN1CCN(CC1(C)C)[C@@H]1C[C@H](c2ccc(Cl)cc12)c1ccccc1 |r|

BDBM50196139

CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1

BDBM50196123

CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1

BDBM50196107

CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1

BDBM50196108

CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1

BDBM50196118

CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1

BDBM22871

CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|

BDBM81802

CN1CCN(CC1)C1=Nc2ccccc2Sc2nccn12 |t:8|

BDBM82479

CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|

BDBM22869

CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|

BDBM50196141

CN1CCN(CC1)c1ccc(Nc2c(C)c(C)nc3ccccc23)cc1

BDBM50196133

CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1

BDBM50196128

CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1

BDBM50196130

CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1

BDBM50196135

CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

BDBM50196137

CN1CCN(CC1)c1ccc(Nc2cc(C)nc3ccccc23)cc1

BDBM50196110

CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1

BDBM50370517

CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1

BDBM79181

CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

BDBM50115644

CN1CCN2C(C1)c1ccccc1Cc1cccnc21

BDBM50094968

CN1CCN=C1Cc1cccnc1 |c:4|

BDBM50030619

CN1CCc2c(Cl)ccc3oc(Br)c(C1)c23

BDBM50030614

CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23

BDBM66983

CN1CCc2cccc(Cl)c2CC1

BDBM50001955

CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|

BDBM81773

CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r|

BDBM50253754

CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1

BDBM50471703

CNC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|

BDBM50471689

CNC(=O)C1=C(C)NC(C)=C(C1c1ccc2OCOc2c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|

BDBM50068818

CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|

BDBM50030613

CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O

CNC(C)C(=O)c1ccccc1

CNC(C)C(O)c1ccccc1

CNC(C)Cc1ccc2OCOc2c1

CNCC(O)c1ccc(O)c(O)c1

BDBM50022784

CNCCC(Oc1ccccc1C)c1ccccc1

BDBM84745

CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|

BDBM50236726

CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r|

BDBM50453799

COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|

BDBM30993

COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|

BDBM50030622

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 |t:4|

BDBM50030612

COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r,t:4|

BDBM50366618

COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|

BDBM50483172

COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

BDBM50026636

COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

BDBM50027058

COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

BDBM50167576

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12

BDBM50013515

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

BDBM50030621

COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O

BDBM50030624

COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O

BDBM50034681

COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|

BDBM50034682

COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|

BDBM50034683

COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|

BDBM50412259

COC1(COc2c(O1)cccc2-c1ccccc1)C1=NCCN1 |t:21|

BDBM50412252

COC1(COc2cccc(-c3ccccc3)c2O1)C1=NCCN1 |t:21|

BDBM50019492

COC1(COc2ccccc2O1)C1=NCCN1 |t:14|

BDBM50122872

COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12

BDBM50065660

COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r|

BDBM50417017

CO[C@@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM50417016

CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM50471702

CO\C(O)=C1\C(C(C(=O)N(C)CCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:37,t:34|

BDBM50471686

CO\C(O)=C1\C(C(C(=O)NCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:37,t:34|

BDBM50471696

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(C)cc1 |c:36,t:33|

BDBM50471687

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)c(Cl)c1 |c:36,t:33|

BDBM50471695

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)cc1 |c:36,t:33|

BDBM50471701

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(OC)cc1 |c:36,t:33|

BDBM50471685

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(c(OC)c1)[N+]([O-])=O |c:36,t:33|

BDBM50471692

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)C#N |c:36,t:33|

BDBM50471697

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2OCOc2c1 |c:36,t:33|

BDBM50471693

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2ccccc2c1 |c:36,t:33|

BDBM50471684

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)c(c1)[N+]([O-])=O |c:29,t:26|

BDBM50471700

CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|

BDBM50471706

CO\C(O)=C1\C(C(C(=O)NCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:35,t:32|

BDBM50412248

CO\N=C\c1ccccc1OC(C)C1=NCCN1 |t:14|

BDBM50055835

COc1c(C)c(Nc2ncc[nH]2)c(C)cc1C(C)(C)C

BDBM50055837

COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C

BDBM50408236

COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1

BDBM84951

COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1

BDBM50212239

COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1

BDBM50034043

COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O

BDBM50114872

COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1

BDBM50132341

COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23

BDBM50160160

COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23

BDBM50203557

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3cccc(c3)C(=O)NCCN(C)C)Cc2cc1OC

BDBM50203555

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3)Cc2cc1OC

BDBM50203563

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3C(F)(F)F)Cc2cc1OC

BDBM50203554

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3F)Cc2cc1OC

BDBM50203556

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccn3)Cc2cc1OC

BDBM50203559

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccco3)Cc2cc1OC

BDBM50203561

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC

BDBM50203558

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)|

BDBM50203553

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC

BDBM50203562

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC

BDBM50203560

COc1cc2CCN(Cc3cnc(N)n4nc(nc34)-c3ccco3)Cc2cc1OC

BDBM50209684

COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|

BDBM50131356

COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC |c:30,t:15|

BDBM50131366

COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC |c:28|

BDBM50131362

COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC |c:27|

BDBM50131353

COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

BDBM50131365

COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

BDBM50209685

COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|

BDBM50131355

COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|

BDBM50131368

COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC |c:30|

BDBM50131354

COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|

BDBM50131367

COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC |c:31|

BDBM50131364

COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC |c:31|

BDBM50131363

COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC |c:26|

BDBM50131361

COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|

BDBM50131352

COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC |c:30|

BDBM50146518

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|

BDBM50131346

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

BDBM50131347

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|

BDBM50131359

COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|

BDBM50131351

COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|

BDBM50403743

COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC

BDBM50033111

COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1

BDBM86731

COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1

BDBM29568

COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1

BDBM85027

COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC

BDBM50055827

COc1ccc(Nc2ncc[nH]2)c(C)c1

BDBM50055834

COc1ccc(Nc2ncc[nH]2)c(C)c1OC

BDBM50118702

COc1ccc(OC)c(c1)C(O)CN

BDBM50473682

COc1ccc(SC)c(NCC2=NCCN2)c1 |t:11|

BDBM50218568

COc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:9|

BDBM82071

COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1

BDBM50131348

COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1 |t:6|

BDBM50031326

COc1ccc2CC3(CNC=N3)CCc2c1 |c:10|

BDBM50031308

COc1ccc2CCC3(CNC=N3)Cc2c1 |c:11|

BDBM50131350

COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1 |c:29|

BDBM50435344

COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

BDBM100152

COc1ccc2c(c1)[nH]c1c(C)nccc21

BDBM50132097

COc1ccc2c3CCNCc3[nH]c2c1

BDBM50180054

COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1

BDBM626015

COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1

BDBM626022

COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2cnco2)c1

BDBM69602

COc1cccc(OC)c1OCCNCC1COc2ccccc2O1

BDBM81444

COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1

BDBM50203565

COc1cccc(c1)-c1cc2c(CN3CCc4cc(OC)c(OC)cc4C3)ccc(OC)c2o1

BDBM50370571

COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1

BDBM50370603

COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1

BDBM50048866

COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12

BDBM50031316

COc1cccc2CC3(CNC=N3)CCc12 |c:11|

BDBM50031330

COc1cccc2CCC3(CNC=N3)Cc12 |c:12|

BDBM50060965

COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12

BDBM50057128

COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12

BDBM625941

COc1ccccc1Cn1cc2c(N)nc(nc2n1)-c1ccc(C)o1

BDBM626170

COc1ccccc1Cn1cc2c(N)nc(nc2n1)-c1ccsn1

BDBM626180

COc1ccccc1Cn1cc2c(N)nc(nc2n1)-c1cnco1

BDBM50040260

COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|

BDBM50263618

COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1

BDBM81772

COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1

BDBM86757

COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1

BDBM50033112

COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1

BDBM50408241

COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1

BDBM50250803

COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1

BDBM86708

COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1

BDBM50040253

COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1

BDBM50099325

COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1

BDBM50099322

COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1

BDBM50455098

COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16|

BDBM50369383

COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16|

BDBM50369382

COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|

BDBM50419881

COc1ccccc1OC(C)C1=NCCN1 |t:12|

BDBM50403745

COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O

BDBM81810

CS(=O)(=O)NCCN(C1CCN2CCc3ccccc3C2C1)S(C)(=O)=O

BDBM50118703

CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|

BDBM50474630

CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)c1c[nH]cn1

BDBM50474671

CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

BDBM50473667

CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 |t:14|

BDBM50473676

CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 |t:14|

BDBM50473664

CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 |t:14|

BDBM50473674

CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 |t:14|

BDBM50473684

CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 |t:14|

BDBM50473680

CS(=O)(=O)c1ccc(cc1NCC1=NCCN1)C(F)(F)F |t:13|

BDBM50473675

CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 |t:14|

BDBM50218593

CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|

BDBM86195

CSCCC(N)C(O)=O

BDBM50473669

CSc1c(F)cccc1NCC1=NCCN1 |t:12|

BDBM50473678

CSc1cc(F)ccc1NCC1=NCCN1 |t:12|

BDBM50473677

CSc1ccc(C)cc1NCC1=NCCN1 |t:12|

BDBM50473665

CSc1ccc(Cl)cc1NCC1=NCCN1 |t:12|

BDBM50473672

CSc1ccc(F)cc1NCC1=NCCN1 |t:12|

BDBM50473683

CSc1ccc(cc1NCC1=NCCN1)C(F)(F)F |t:11|

BDBM50002338

CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1

BDBM50421580

CSc1ccccc1NCC1=NCCN1 |t:11|

BDBM50180256

C[C@@H](N)Cn1ncc2ccc(O)cc12

BDBM85233

C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 |r,t:12|

BDBM50244809

C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|

BDBM50417351

C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |r,t:18|

BDBM50218115

C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|

BDBM50417353

C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

BDBM50417348

C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 |r,t:16|

BDBM50417345

C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|

BDBM50420341

C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|

BDBM50417342

C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|

BDBM50241196

C[C@@H](c1cnc[nH]1)c1cccc(C)c1C

BDBM50158610

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1

BDBM50383117

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|

BDBM50196134

C[C@@H]1CN(CCN1)c1ccc(Nc2c(CO)cnc3ccccc23)cc1

BDBM50196145

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1

BDBM50196125

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1

BDBM50196126

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1

BDBM50196127

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1

BDBM50196116

C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1

BDBM50174702

C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O

BDBM50090647

C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|

BDBM50217942

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM84978

C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

BDBM50133232

C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12

BDBM50180251

C[C@H](N)Cn1ncc2ccc(O)cc12

BDBM50417352

C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |r,t:18|

BDBM50417341

C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|

BDBM50417354

C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|

BDBM50417349

C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 |r,t:16|

BDBM50417346

C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|

BDBM50420342

C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|

BDBM50417343

C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|

BDBM50196124

C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1

BDBM50196140

C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1

BDBM50318666

C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|

BDBM50417019

C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|

BDBM50417020

C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|

BDBM50417008

C[C@]12C[C@]1(Cc1ccccc21)c1cnc[nH]1 |r|

BDBM50025206

C[NH+](C)C1CCc2cc(O)c(O)cc2C1

BDBM50055830

Cc1c(Nc2ncc[nH]2)ccc2OCCNc12

BDBM50055832

Cc1c(Nc2ncc[nH]2)ccc2OCCOc12

BDBM50055829

Cc1c(Nc2ncc[nH]2)ccc2nccnc12

BDBM50403748

Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O

BDBM50333880

Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O

BDBM30712

Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|

BDBM30703

Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|

BDBM626100

Cc1ccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)cc1C(F)(F)F

BDBM626057

Cc1ccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)cc1F

BDBM626028

Cc1ccc(Cn2cc3c(N)nc(nc3n2)-c2cnccn2)cc1

BDBM50473671

Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8|

BDBM31046

Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|

BDBM50031311

Cc1ccc2CCC3(CNC=N3)Cc2c1 |c:10|

BDBM255474

Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|

BDBM50140056

Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

BDBM50403752

Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1

BDBM81813

Cc1cccc(C)c1CCc1cnc[nH]1

BDBM50027069

Cc1cccc(C)c1N=C1NCCCS1 |w:8.8|

BDBM625944

Cc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1

BDBM50415141

Cc1ccccc1COC1=NCCN1 |t:10|

BDBM50193034

Cc1ccccc1NCC1=NCCN1 |t:10|

BDBM50403742

Cc1ccn2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O

BDBM50213351

Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 |t:9|

BDBM50108094

Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|

BDBM50030617

Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O

BDBM50252513

Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

BDBM50001885

Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

BDBM81814

Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1

BDBM50403750

Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

BDBM50403739

Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

BDBM50403746

Cc1nc2c(Cl)cc(cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1)C(F)(F)F

BDBM50403747

Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

BDBM50403740

Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

BDBM50403738

Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

BDBM50403753

Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

BDBM50403755

Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1

BDBM50196114

Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C

BDBM50196109

Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C

BDBM50403737

Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1

BDBM50403754

Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1

BDBM50403741

Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1

BDBM50403744

Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1

BDBM50403749

Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1

BDBM50539742

Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12

BDBM50085676

Cc1sc(C)c2C(CCCc12)c1cnc[nH]1

BDBM50085677

Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|

BDBM50476183

Cl.C1CN=C(N1)C1OC1c1ccccc1-c1ccccc1 |c:2|

BDBM50473663

Cl.CC(C)Sc1ccccc1NCC1=NCCN1 |t:13|

BDBM50473679

Cl.CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:15|

BDBM50473681

Cl.CCSc1ccccc1NCC1=NCCN1 |t:12|

BDBM50473666

Cl.C[S+]([O-])c1ccccc1NCC1=NCCN1 |t:12|

BDBM50401271

Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1

BDBM50148852

Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C

BDBM50076240

Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|

BDBM50031324

Clc1cc(Cl)c2CCC3(CNC=N3)Cc2c1 |c:11|

BDBM50048803

Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12

BDBM85093

Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1

BDBM50083342

Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1

BDBM50140054

Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

BDBM50240671

Clc1ccc2nsnc2c1NC1=NCCN1 |t:13|

BDBM85231

Clc1cccc(Cl)c1N(CC=C)C1=NCCN1 |t:13|

BDBM50055836

Clc1cccc(Cl)c1Nc1ncc[nH]1

BDBM50016897

Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

BDBM50130293

Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl

BDBM81804

Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

BDBM50387825

Clc1ccccc1N=C1CCCN1 |w:7.7|

BDBM50027031

Clc1ccccc1NCC1=NCCN1 |t:10|

BDBM50017452

Clc1cncc(n1)N1CCNCC1

BDBM50213343

Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|

BDBM50213344

Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|

BDBM82272

Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12

BDBM50474673

FC(F)(F)C(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

BDBM50474666

FC(F)(F)CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

BDBM50027067

FC(F)(F)c1ccc(Cl)c(c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1

BDBM50215552

FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

BDBM50240277

Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1

BDBM50319673

Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

BDBM50001786

Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12

BDBM21395

Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1

BDBM50334150

Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1

BDBM26948

Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1

BDBM50131357

Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|

BDBM50140053

Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1

BDBM50497435

Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1

BDBM85232

Fc1cccc(Cl)c1C1CN2CCN=C2C1 |c:14|

BDBM50579346

Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1

BDBM50031301

Fc1cccc2CCC3(CNC=N3)Cc12 |c:11|

BDBM85595

Fc1cccc2OC3CNCC3Oc12

BDBM50497439

Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12

BDBM50027024

Fc1cccnc1N1CCNCC1

BDBM50092139

Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1

BDBM50336843

Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

BDBM50055831

N(c1ncc[nH]1)c1ccc2nc[nH]c2c1

BDBM50055838

N(c1ncc[nH]1)c1ccc2nccnc2c1

BDBM81984

NC(=N)NC(=O)Cc1c(Cl)cccc1Cl

BDBM81483

NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1

BDBM26739

NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1

BDBM50164447

NC(CCS(O)(=O)=O)C(O)=O

NC(CCS)C(O)=O

NC(CS(O)=O)C(O)=O

NC(CS)C(O)=O

NC(CSSCC(N)C(O)=O)C(O)=O

BDBM50031306

NC1=NC2(CO1)CCc1cccc(Cl)c1C2 |t:1|

BDBM85709

NC1=NC2(CO1)CCc1ccccc1C2 |t:1|

BDBM50250521

NC1=N[C@H]2n3c(Br)c(Br)cc3C(=O)N3CCC[C@]23N1 |r,t:1|

BDBM35234

NCC(O)c1ccc(O)c(O)c1

BDBM50456166

NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1

BDBM50029051

NC[C@H](O)c1ccc(O)c(O)c1 |r|

BDBM50220147

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

BDBM86201

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

BDBM86196

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

BDBM86197

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

BDBM86198

N[C@H]1CCSC1=O |r|

BDBM50584888

N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|

BDBM81926

Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 |t:7|

BDBM50474654

Nc1cccc2C(CCCc12)c1c[nH]cn1

BDBM626206

Nc1nc(nc2nn(Cc3cccc(CO)c3)cc12)-c1ccsn1

BDBM626148

Nc1nc(nc2nn(Cc3cccc(Cl)c3)cc12)-c1ccsn1

BDBM86053

Nc1nc2CCN(CC=C)CCc2s1

BDBM50326218

O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

BDBM50033113

O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1

BDBM50263674

O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1

BDBM50263621

O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N

BDBM50263619

O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1

BDBM50263774

O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|

BDBM50263620

O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1

BDBM50370623

O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1

BDBM50020192

O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1

BDBM50473670

O=S1(=O)CCCc2cccc(NCC3=NCCN3)c12 |t:13|

BDBM50403751

O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12

BDBM50483176

OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

BDBM50541996

OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F

BDBM50569559

OC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:18|

BDBM50185473

OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|

BDBM50185474

OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1

BDBM21398

OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

BDBM50026066

OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F

BDBM50352160

OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|

BDBM84979

OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O

BDBM86036

OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O

BDBM50130273

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1

BDBM78433

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

BDBM50095890

OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|

BDBM50090256

OC[C@H](O)c1oc(O)c(O)c1O |r|

BDBM50167573

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(=O)OCc1ccccc1

BDBM50087145

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087151

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087148

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087149

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087152

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087147

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087154

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087146

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087150

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM50087153

O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

BDBM7460

Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

BDBM50200351

Oc1cc2OCC3NCc4ccccc4C3c2cc1O

BDBM81809

Oc1ccc(CCNCC2CCc3ccccc3C2=O)cc1

BDBM50129952

Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|

BDBM60917

Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12

BDBM50325822

Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|

BDBM50019729

Oc1ccc2[C@H](CCCc2c1O)C1=NCCN1 |t:14|

BDBM50002173

Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|

BDBM50471340

Oc1cccc2C(CCCc12)c1c[nH]cn1

BDBM50271255

[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12

BDBM50027056

[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\c1cccc2-[#6]-[#6]-[#6]-[#6]-c12

BDBM50242259

[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|

BDBM85235

[#6]-[#6]-c1cccc(-[#6]-[#6])c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

BDBM50030623

[#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1

BDBM85098

[#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O

BDBM50173162

[#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1

BDBM50050093

[#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

BDBM50052881

[#6]-c1c(ccc2-[#7]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1

BDBM50052882

[#6]-c1c(ccc2-[#8]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1

BDBM50052880

[#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

BDBM50173164

[#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1

BDBM50021812

[#7]-c1cc(Cl)c(\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1

BDBM81979

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|

BDBM50592735

[2H]c1c([2H])c([2H])c([C@@H]2C[C@@H](N3CCNC(C)(C)C3)c3cc(Cl)ccc23)c([2H])c1[2H] |r|

BDBM50474152

[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC

BDBM50204306

[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|

BDBM50503048

[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|

BDBM50503049

[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|

BDBM50584894

[H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(C1)C(=O)N2 |r|

BDBM50584889

[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|

BDBM50584891

[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r|

BDBM22867

[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|

BDBM50213349

[H][C@]12CCCC[C@@]1([H])N=C(Nc1ccc3nccnc3c1Br)N2 |t:9|

BDBM50204312

[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|

BDBM50584884

[H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|

BDBM35256

[H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|

BDBM50584883

[H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r|

BDBM50584885

[H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|

BDBM50569565

[O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#CCN1C(=O)c2ccccc2C1=O |t:3|

BDBM50085681

c1cc2c(cccc2s1)-c1c[nH]cn1

BDBM50159249

c1ccc2ccccc2c1