SMILES for Methylosome protein 50/Protein arginine N-methyltransferase 5

CC1(C)CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(cc12)C(=O)N1C2COC3C1COC23 |r,TLB:26:28:30.31:36,30:29:32:34.35,31:32:28.29:34.35,THB:26:28:32:34.35,34:33:30.31:36,35:36:30.31:33.28|

BDBM515324

CC1(C)CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(cc12)C(=O)N1C2COC3C1COC23 |r,TLB:26:28:30.31:36,30:29:32:34.35,31:32:28.29:34.35,THB:26:28:32:34.35,34:33:30.31:36,35:36:30.31:33.28|

BDBM515325

CC1(C)CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(cc12)N1C2CCC(CC2)C1=O |r,wU:6.6,wD:8.7,(-2.1,2.87,;-1.33,1.54,;-.56,2.87,;,.77,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;6.67,-3.08,;5.33,-3.85,;4,-3.08,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-4,1.54,;-2.67,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-9.34,3.08,;-9.34,1.54,;-8.53,2.84,;-7.44,1.75,;-8,.77,;-8,-.77,)|

BDBM515326

OC(CN1CCc2cc(ccc2C1=O)C(=O)N1C2CCC1COC2)[C@@H]1Cc2ccccc2CN1 |r|

BDBM529371

C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529372

CC[C@]1(CCc2ccc3ccc(N)nc3n2)C[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1ccc2c(N)ncnc12 |r|

BDBM529373

Cc1ncnc2n(ccc12)[C@@H]1C[C@](C)(CCc2cc(F)c3cc(Cl)c(N)nc3c2)[C@H]2OC(C)(C)O[C@@H]12 |r|

BDBM529374

C[C@]1(CCc2cc(F)c3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncc(F)c12 |r|

BDBM529375

CC1(C)O[C@H]2[C@@H](C[C@@](CCc3cc(F)c4cc(Cl)c(N)nc4c3)(C=O)[C@H]2O1)n1ccc2c(Cl)ncnc12 |r|

BDBM529376

COC[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529377

Nc1ncnc2n(ccc12)[C@@H]1[C@H]2C[C@@]2([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM529378

Nc1ncnc2n(ccc12)[C@@H]1[C@H]2C[C@@]2([C@@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM529379

Nc1nc2cc(OC[C@@]3(F)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br |r|

BDBM529380

Cc1cc2ccc(OC[C@@]3(C)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc2nc1N |r|

BDBM529381

Nc1nc2cc(OC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br |r|

BDBM529382

C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529383

Nc1ccc2ccc(CC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3ccc4c(N)ncnc34)cc2n1 |r|

BDBM529384

C[C@]1(CCc2ccc3cc(C4CC4)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529385

Nc1nc2cc(CC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3ccc4c(N)ncnc34)ccc2cc1Br |r|

BDBM529386

Cc1cnc2cc(OC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3ccc4c(N)ncnc34)ccn12 |r|

BDBM529387

Nc1nc2cc(OC[C@H]3[C@@H]4CC4([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br |r|

BDBM529388

C[C@]1(COc2ccc3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529389

Nc1nc2cc(CC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3ccc4c(N)ncnc34)ccc2cc1Cl |r|

BDBM529390

CCCCCOC(=O)Nc1ccc2ccc(CC[C@@]3(C)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc2n1 |r|

BDBM529391

CCCCCOC(=O)Nc1ccc2cc(CC[C@@]3(C)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2n1 |r|

BDBM529392

C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncc(F)c12 |r|

BDBM529393

C[C@]1(CCc2ccc3nc(N)ccc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncc(F)c12 |r|

BDBM529394

Nc1ccc2ccc(CC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3ccc4c(N)ncnc34)nc2n1 |r|

BDBM529395

C[C@]1(CCc2ccc3cc(C(F)F)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529396

C[C@]1(CCc2ccc3ccc(N)nc3n2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529397

CC(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)C)[C@]2(CCc3ccc4ccc(N)nc4c3)C[C@@H]2[C@H]1n1ccc2c(N)ncnc12 |r|

BDBM529398

CC(C)C(=O)O[C@H]1[C@@H](C[C@](C)(CCc2ccc3ccc(N)nc3c2)[C@H]1OC(=O)C(C)C)n1ccc2c(N)ncnc12 |r|

BDBM529399

CC(C)C(=O)O[C@H]1[C@@H](C[C@](C)(CCc2ccc3nc(N)ccc3c2)[C@H]1OC(=O)C(C)C)n1ccc2c(N)ncnc12 |r|

BDBM529400

C[C@]1(CCc2ccc3cc(C#N)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529401

C[C@]1(CCc2ccc3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529402

Cn1c(N)nc2cc(CC[C@@]3(C)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2c1=O |r|

BDBM529403

C[C@]5(CCc2cc(F)c1cnc(N)nc1c2)C[C@@H](n4ccc3c(N)ncnc34)[C@H](O)[C@@H]5O

BDBM529404

C[C@]1(CCc2ccc3cc4OCC(=O)Nc4nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529405

Nc1nc2cc(CC[C@@]3(F)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc(F)c2cc1Cl |r|

BDBM529406

C[C@]1(CCc2cc(F)c3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529408

C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529409

Nc1nc2cc(CC[C@@]3(CO)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc(F)c2cc1Cl |r|

BDBM529410

C[C@]1(CCc2cc3nc(N)ccc3c(F)c2F)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529412

C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1cc(F)c2c(N)nccc12 |r|

BDBM529413

Nc1nc2cc(CC[C@@]3(O)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc(F)c2cc1Cl |r|

BDBM529414

CC(=O)[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529415

C[C@]1(CCCCc2ccc(Cl)c(N)n2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529416

C[C@]1(CCCCc2cccc(N)n2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529417

C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|

BDBM529418

C[C@]1(CCc2ccc3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncc(F)c12 |r|

BDBM529419

C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncc(F)c12 |r|

BDBM529420

Nc1nc2cc(CC[C@]3(C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)C=C)cc(F)c2cc1Cl |r|

BDBM529421

Nc1nc2cc(CC[C@]3(C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)C#C)cc(F)c2cc1Cl |r|

BDBM529422

C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)nc(Cl)nc12 |r|

BDBM529423

C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)nc(Cl)nc12 |r|

BDBM529424

CCCCCOC(=O)Nc1ccc2ccc(CC[C@@]3(C)C[C@](O)([C@H](O)[C@@H]3O)c3ccc4c(N)ncnn34)cc2n1 |r|

BDBM529425

C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)c1cnn2c(N)ncnc12 |r|

BDBM529426

C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|

BDBM529427

COC[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM529428

C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C=C([C@H](O)[C@@H]1O)c1ccc2c(ncnn12)N(COCC[Si](C)(C)C)COCC[Si](C)(C)C |r,c:18|

BDBM532164

CSC[C@H]1OC([C@H](O)[C@]1(C)O)n1ccc2c(N)ncnc12 |r|

BDBM511048

CO\N=c1/[nH]cnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3ccc(N)nc3c2)[C@@](C)(O)[C@H]1O |r|

BDBM511056

C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)c1ccc(Cl)cc1)n1ccc2c1nc[nH]\c2=N/O |r|

BDBM532200

Cc1ncnc2n(ccc12)[C@@H]1OC(Cc2ccc(Cl)cc2CO)[C@@](C)(O)[C@H]1O |r|

BDBM511074

C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@@H](O)c1ccc(Cl)c(Cl)c1)n1ccc2c(N)ncnc12 |r|

BDBM452962

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(Cl)ccc12 |r|

BDBM452992

Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@H]1OCc2cc(Cl)ccc12 |r|

BDBM452993

Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC(=O)c2cc(Cl)ccc12 |r|

BDBM452994

Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@H]1OC(=O)c2cc(Cl)ccc12 |r|

BDBM532953

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@H]1OC(=O)c2cc(Cl)ccc12 |r|

BDBM452996

Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(Cl)ccc12 |r|

BDBM452997

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(F)c(F)cc12 |r|

BDBM452998

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r|

BDBM452999

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r|

BDBM453000

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|

BDBM453001

COC1Cc2cc(Cl)ccc2[C@@H](O1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM453002

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC(O)Cc2cc(Cl)ccc12 |r|

BDBM453003

COC1Cc2cc(Cl)ccc2[C@@H](O1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|

BDBM453004

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC(O)Cc2cc(Cl)ccc12 |r|

BDBM453005

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCOCc2cc(Cl)ccc12 |r|

BDBM453006

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|

BDBM453007

CNc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|

BDBM453008

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2ccc(Cl)cc12 |r|

BDBM453009

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2ccc(Cl)cc12 |r|

BDBM453010

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(Cl)cccc12 |r|

BDBM453011

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r|

BDBM453012

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r|

BDBM453013

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(Cl)cccc12 |r|

BDBM453014

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCC(F)(F)c2ccccc12 |r|

BDBM453015

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(F)ccc12 |r|

BDBM453016

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCC(F)(F)c2ccccc12 |r|

BDBM453017

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(F)ccc12 |r|

BDBM453018

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@H]1OCCc2cc(Cl)ccc12 |r|

BDBM532978

Nc1ncnc2n(ccc12)C1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCOCc2cc(Cl)ccc12 |r|

BDBM453020

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC(=O)Cc2cc(Cl)ccc12 |r|

BDBM453021

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(Cl)ccc12 |r|

BDBM453022

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(Cl)ccc12 |r|

BDBM453023

Cc1ncnc2n(cc(F)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|

BDBM453024

Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|

BDBM453025

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)c(Cl)cc12 |r|

BDBM453026

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)c(Cl)cc12 |r|

BDBM453027

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)sc12 |r|

BDBM453028

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)sc12 |r|

BDBM453029

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@H]1OCCc2cc(Cl)sc12 |r|

BDBM453030

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@@H](F)c2cc(Cl)ccc12 |r|

BDBM453031

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@@H](F)c2cc(Cl)ccc12 |r|

BDBM453032

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@H](F)c2cc(Cl)ccc12 |r|

BDBM453033

Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@H](F)c2cc(Cl)ccc12 |r|

BDBM453034

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCOc2c(F)c(F)ccc12 |r|

BDBM453035

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1NCCc2cc(Cl)ccc12 |r|

BDBM453036

Cc1cc2[C@@H](OCCc2cc1Cl)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|

BDBM453037

Cc1cc2[C@@H](OCCc2cc1Cl)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|

BDBM532997

Cc1ncnc2n(ccc12)C1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCCc2cc(Cl)ccc12 |r|

BDBM532998

Nc1ncnc2n(ccc12)C1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCCc2cc(Cl)ccc12 |r|

BDBM533402

N\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533403

CO\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533404

O\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533405

CN\N=c1\nc[nH]c2n(cnc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533406

N\N=c1\nc[nH]c2n(cnc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533407

CO\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r|

BDBM533408

O\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r|

BDBM533409

CN\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533410

O\N=c1\nc[nH]c2n(cnc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533411

CO\N=c1\nc[nH]c2n(cnc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533412

O\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533414

O\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533415

O\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|

BDBM533417

CO\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533419

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533420

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|

BDBM533421

C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cn\c2=N/O)c1ccc(Cl)cc1 |r|

BDBM533422

Cc1n\c(=N/O)c2ccn([C@@H]3O[C@H]([C@H](O)c4ccc(Cl)cc4)[C@@H](O)[C@H]3O)c2[nH]1 |r|

BDBM533424

O\N=c1\nc[nH]c2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533425

N\N=c1\nc[nH]c2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533426

CO\N=c1/nc[nH]c2n(cc(F)c12)[C@@H]1OC([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533428

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H]1O |r|

BDBM533430

N\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H]1O |r|

BDBM533431

Cc1cn([C@@H]2O[C@H]([C@H](O)c3ccc(Cl)cc3)[C@@H](O)[C@H]2O)c2[nH]cn\c(=N/O)c12 |r|

BDBM533433

CO\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(c(F)c2)C(F)(F)F)[C@@H](O)[C@H]1O |r|

BDBM533434

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)c(Cl)c1 |r|

BDBM533436

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1OC([C@@H](O)[C@H]1O)[C@](O)(c1ccc(Cl)cc1)C(F)(F)F |r|

BDBM533438

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)cc1 |r|

BDBM533439

CO\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(C)c2)[C@@H](O)[C@H]1O |r|

BDBM533440

CN\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533442

CCO\N=c1\[nH]cnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533443

CCO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)cc1 |r|

BDBM533445

CO\N=c1/[nH]cnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)c(Cl)c1 |r|

BDBM533447

CCO\N=c1/[nH]cnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)c(Cl)c1 |r|

BDBM533448

CO\N=c1/[nH]cnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)c(C)c1 |r|

BDBM533449

CCO\N=c1/[nH]cnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)c(C)c1 |r|

BDBM533453

CCO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533454

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(c(C)c2)C(F)(F)F)[C@@H](O)[C@H]1O |r|

BDBM533455

CCO\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)c(Cl)c1 |r|

BDBM533457

CO\N=c1/nc[nH]c2n(cc(CCO)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533458

CO\N=c1/nc[nH]c2n(cc(C#C)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533460

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](OC)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r|

BDBM533461

O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cn\c2=N/OCC(F)(F)F)c1ccc(Cl)c(Cl)c1 |r|

BDBM533463

CO\N=c1/nc[nH]c2n(cc(C#C)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533464

C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cn\c2=N\O)C1CC=C(Cl)C(Cl)=C1 |r,c:30,t:26|

BDBM533466

O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cn\c2=N/OCC(F)F)c1ccc(Cl)c(Cl)c1 |r|

BDBM533468

CO\N=c1/nc[nH]c2n(cc(F)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(Cl)c(Cl)c1 |r|

BDBM533469

C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cn\c2=N/O)c1ccc(Cl)c(Cl)c1 |r|

BDBM533470

N\N=c1\nc[nH]c2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533471

N\N=c1\nc[nH]c2n(cc(F)c12)[C@@H]1C[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533473

N\N=c1\nc[nH]c2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|

BDBM533474

CO\N=c1\nc[nH]c2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533475

O\N=c1\nc[nH]c2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM533476

CN(N)c1ncnc2n(ccc12)[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O |r|

BDBM533477

CNc1ccc2ccc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c3[nH]cn\c4=N/OC)cc2n1 |r|

BDBM533478

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1C[C@H](CCc2ccc3ccc(N)nc3c2)[C@@H](O)[C@H]1O |r|

BDBM533479

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1C[C@H](CCc2ccc3cc(Cl)c(N)nc3c2)[C@@H](O)[C@H]1O |r|

BDBM533482

O\N=c1/nc[nH]c2n(ccc12)[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O |r|

BDBM533484

O\N=c1/nc[nH]c2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|

BDBM533485

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|

BDBM533486

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O |r|

BDBM533488

CN\N=c1/nc[nH]c2n(ccc12)[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O |r|

BDBM533489

CO\N=c1/nc[nH]c2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533490

O\N=c1\nc[nH]c2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|

BDBM533491

C[C@](O)([C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cn\c2=N\O)c1ccc(Cl)c(Cl)c1 |r|

BDBM533492

C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccc(Cl)c(Cl)c1 |r|

BDBM533493

Cc1cc(ccc1Cl)[C@@](C)(O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM533494

C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c2c(N)ncnc12)c1ccc(Cl)c(Cl)c1 |r|

BDBM533495

CC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)c1ccc(Cl)cc1 |r|

BDBM533497

C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c2c(N)ncnc12)c1ccc(Cl)c(F)c1 |r|

BDBM533498

C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)c1ccc(Cl)s1 |r|

BDBM542487

CN1CCN(CC1)c1nc(NC2CCC2)cc(n1)C(=O)NCC(O)CN1CCc2[nH]c3ccccc3c2C1

BDBM542488

CN1CCN(CC1)c1cc(cc(NC2CCC2)n1)C(=O)NCC(O)CN1CCc2[nH]c3ccccc3c2C1

BDBM542489

OC(CNC(=O)c1cc(NC2CCC2)ncn1)CN1CCc2[nH]c3ccccc3c2C1

BDBM542490

CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(O)CN1CCc2[nH]c3ccccc3c2C1

BDBM542491

OC(CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1COC2)CN1CCc2[nH]c3ccccc3c2C1

BDBM542492

CN1CCN(CC1)c1nc(NC2CCC2)cc(n1)C(=O)NCC(O)CN1CCc2c(C1)c1ccccc1n2C

BDBM542493

CN1CCN(CC1)c1cc(cc(NC2CCC2)n1)C(=O)NCC(O)CN1CCc2c(C1)c1ccccc1n2C

BDBM542494

Cn1c2CCN(CC(O)CNC(=O)c3ccc(cc3)C(=O)N3C4CCC3COC4)Cc2c2ccccc12

BDBM542495

CN1CCN(CC1)c1nc(NC2CCC2)cc(n1)C(=O)NCC(O)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542496

CN1CCN(CC1)c1cc(cc(NC2CCC2)n1)C(=O)NCC(O)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542497

OC(CNC(=O)c1cc(NC2CCC2)ncn1)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542498

CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(O)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542499

OC(CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542500

OC(CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1COC2)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542501

CN1CCN(CC1)c1nc(NC2CCC2)cc(n1)C(=O)NCC(O)CN1CCc2c(C1)n(C)c1ccccc21

BDBM542502

CN1CCN(CC1)c1cc(cc(NC2CCC2)n1)C(=O)NCC(O)CN1CCc2c(C1)n(C)c1ccccc21

BDBM542503

Cn1c2CN(CC(O)CNC(=O)c3cc(NC4CCC4)ncn3)CCc2c2ccccc12

BDBM542504

CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(O)CN1CCc2c(C1)n(C)c1ccccc21

BDBM542505

Cn1c2CN(CC(O)CNC(=O)c3ccc(cc3)C(=O)N3C4CCC3COC4)CCc2c2ccccc12

BDBM542506

OC(COC(=O)N1CCC(C1)c1ccccc1)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542507

OC(COC(=O)N1CCc2ccccc2C1)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542508

OC(CNC(=O)N1CCc2ccccc2C1)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542509

OC(CNC(=O)N1CCC(C1)c1ccccc1)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542510

OC(CNC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2c(C1)[nH]c1ccccc21

BDBM542511

CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCCCN1CCc2c(C1)[nH]c1ccccc21

BDBM542512

CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2c(C1)[nH]c1ccccc21 |r|

BDBM542513

CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@@H](O)CN1CCc2c(C1)[nH]c1ccccc21 |r|

BDBM542514

CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(O)CN1CCn2c(C1)cc1ccccc21

BDBM558723

Cn1cnc2ccc(CN3CCN(CC(O)CN4CCc5ccccc5C4)C3=O)cc12

BDBM558724

Cn1cnc2ccc(CN3CCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)cc12 |r|

BDBM558725

Cn1cnc2ccc(CN3CCN(C[C@@H](O)CN4CCc5ccccc5C4)C3=O)cc12 |r|

BDBM558726

CC1(C)CN(Cc2ccc(cc2)C#N)C(=O)N1CC(O)CN1CCc2ccccc2C1

BDBM558727

CC1(C)CN(Cc2ccc(cc2)C#N)C(=O)N1C[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM558728

CC1(C)CN(Cc2ccc(cc2)C#N)C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1 |r|

BDBM558729

CN(C)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1

BDBM558730

Cn1nccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O

BDBM558731

Cc1ccc(CN2CC(C)(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1

BDBM558732

Cc1ccc(CN2CC3(CC3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558733

Cc1ccc(CN2CC(C)(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558734

Cc1ccc(CN2CC3(CCCC3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558735

Cc1ccc(CN2CC3(CCC3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558736

Cc1ccc(CN2C(=O)N(CC(O)CN3CCc4ccccc4C3)CC2(C)C)cc1

BDBM558737

CS(=O)(=O)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1

BDBM558738

CC1(C)CN(Cc2ccc(nc2)C#N)C(=O)N1CC(O)CN1CCc2ccccc2C1

BDBM558739

COc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558740

CC1(C)CN(CC(O)CN2CCc3ccccc3C2)C(=O)N1Cc1ccc(cc1)C#N

BDBM558741

Cc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1

BDBM558742

Cc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cc1 |r|

BDBM558743

Cc1ccc(CN2CCN(C[C@@H](O)CN3CCc4ccccc4C3)C2=O)cc1 |r|

BDBM558744

Cc1ccccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O

BDBM558745

Cc1ccccc1CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C1=O |r|

BDBM558746

Cc1ccccc1CN1CCN(C[C@@H](O)CN2CCc3ccccc3C2)C1=O |r|

BDBM558747

Cc1ccc(CN2C(=O)CN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1

BDBM558748

OC(CN1CCN(Cc2ccc(cc2)C#N)C1=O)CN1CCc2ccccc2C1

BDBM558749

O[C@@H](CN1CCN(Cc2ccc(cc2)C#N)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558750

O[C@H](CN1CCN(Cc2ccc(cc2)C#N)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558751

Cc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558752

OC(CN1CCN(Cc2ccccc2)C1=O)CN1CCc2ccccc2C1

BDBM558753

OC(CN1CCN(Cc2ccc(nc2)C#N)C1=O)CN1CCc2ccccc2C1

BDBM558754

Cc1cccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)n1

BDBM558755

OC(CN1CC(=O)N(Cc2ccc(cc2)C#N)C1=O)CN1CCc2ccccc2C1

BDBM558756

CC1(C)N(CC(O)CN2CCc3ccccc3C2)C(=O)N(Cc2ccc(cc2)C#N)C1=O

BDBM558757

OC(CN1CCN(Cc2ccc(Cl)nc2)C1=O)CN1CCc2ccccc2C1

BDBM558758

CC(=C)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558759

CCc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558760

CC(C)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558761

CC(C)c1ccc(CN2C(=O)N(CC(O)CN3CCc4ccccc4C3)C(C)(C)C2=O)cn1

BDBM558762

CC(C)c1ccc(CN2C(=O)N(CC(O)CN3CCc4ccccc4C3)C(C)(C)C2=O)nc1

BDBM558763

CC(C)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)nc1

BDBM558764

CC(=O)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1

BDBM558765

OC(CN1CCN(C1=O)c1ccc(cc1)C#N)CN1CCc2ccccc2C1

BDBM558766

OC(CN1CCN(C1=O)c1ccc(cn1)C(=O)N1CCCCC1)CN1CCc2ccccc2C1

BDBM558767

OC(CN1CCN(Cc2ccc(cn2)C#N)C1=O)CN1CCc2ccccc2C1

BDBM558768

O[C@@H](CN1CCN(Cc2ccc(cn2)C#N)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558769

O[C@H](CN1CCN(Cc2ccc(cn2)C#N)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558770

OC(CN1CCN(Cc2cccc(n2)C#N)C1=O)CN1CCc2ccccc2C1

BDBM558771

Cc1cc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)ccc1C#N

BDBM558772

CC1(C)CN(Cc2ccc(cn2)C#N)C(=O)N1CC(O)CN1CCc2ccccc2C1

BDBM558773

OC(CN1CCN(Cc2ccc(C#N)c(F)c2)C1=O)CN1CCc2ccccc2C1

BDBM558774

OC(CN1CCN(Cc2ccc(nc2)C(F)(F)F)C1=O)CN1CCc2ccccc2C1

BDBM558775

COc1cc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)ccc1C#N

BDBM558776

OC(CN1CCN(Cc2ccnc(c2)C#N)C1=O)CN1CCc2ccccc2C1

BDBM558777

OC(CN1CCN(Cc2ccc3CCOCc3c2)C1=O)CN1CCc2ccccc2C1

BDBM558778

Cn1cc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)ccc1=O

BDBM558779

CC1(C)CN(Cc2ccc(cc2)S(C)(=O)=O)C(=O)N1CC(O)CN1CCc2ccccc2C1

BDBM558780

NC(=O)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1

BDBM558781

NC(=O)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1 |r|

BDBM558782

CNC(=O)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1 |r|

BDBM558783

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)NC2CC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558784

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558785

O[C@@H](CN1CCN(Cc2ncccc2C(=O)N2CCCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558786

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558787

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CCCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558788

CC(=O)N1CCN(CC1)C(=O)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1 |r|

BDBM558789

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CCC(F)(F)C2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558790

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CCOCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558791

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CCC(F)(F)CC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558792

O[C@@H](CN1CCN(Cc2cc(ccn2)C(=O)N2CCCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558793

O[C@@H](CN1CCN(Cc2cccc(n2)C(=O)N2CCCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558794

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)NC2COC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558795

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CC[C@@H](F)C2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558796

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CC3(COC3)C2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558797

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2C3CCC2COC3)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558798

O[C@@H](CN1CCN(Cc2ccc(cn2)C(=O)N2CC(F)(F)C2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558799

CS(=O)(=O)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cc1 |r|

BDBM558800

O[C@@H](CN1CCN(Cc2ccc(cc2)S(=O)(=O)C2CC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558801

O[C@@H](CN1CCN(Cc2ccc(cc2)S(=O)(=O)N2CCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558802

O[C@@H](CN1CCN(Cc2ccc(cc2)S(=O)(=O)N2CCCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558803

O[C@@H](CN1CCN(Cc2cccc(c2)S(=O)(=O)N2CCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558804

O[C@@H](CN1CCN(Cc2ccc(cn2)S(=O)(=O)N2CCCC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558805

CC(=O)N1CCC(CC1)Nc1cc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)ccn1 |r|

BDBM558806

OC(CN1CC(=O)N(Cc2ccc(cn2)C#N)C1=O)CN1CCc2ccccc2C1

BDBM558807

CC1(C)N(CC(O)CN2CCc3ccccc3C2)C(=O)N(Cc2ccc(cn2)C#N)C1=O

BDBM558808

COc1cc(CN2C(=O)N(CC(O)CN3CCc4ccccc4C3)C(C)(C)C2=O)ccc1C#N

BDBM558809

CC1(C)N(CC(O)CN2CCc3ccccc3C2)C(=O)N(Cc2ccc3CCOCc3c2)C1=O

BDBM558810

CC1(C)N(CC(O)CN2CCc3ccccc3C2)C(=O)N(Cc2ccc(cn2)C(F)(F)F)C1=O

BDBM558811

Cn1cc(CN2C(=O)N(CC(O)CN3CCc4ccccc4C3)C(C)(C)C2=O)ccc1=O

BDBM558812

CC1(C)N(CC(O)CN2CCc3ccccc3C2)C(=O)N(Cc2ccc(cc2)S(C)(=O)=O)C1=O

BDBM558813

CC1CN(Cc2ccc(C)cc2)C(=O)N1CC(O)CN1CCc2ccccc2C1

BDBM558814

Cc1ccc(CN2CC(N(CC(O)CN3CCc4ccccc4C3)C2=O)c2ccccc2)cc1

BDBM558815

OC(CN1CCc2ccccc2C1)Cn1ccn(Cc2ccc(cc2)C#N)c1=O

BDBM558816

O[C@H](CN1CCc2ccccc2C1)Cn1ccn(Cc2ccc(cc2)C#N)c1=O |r|

BDBM558817

O[C@@H](CN1CCc2ccccc2C1)Cn1ccn(Cc2ccc(cc2)C#N)c1=O |r|

BDBM558818

Cc1ccc(Cn2ccn(CC(O)CN3CCc4ccccc4C3)c2=O)cc1

BDBM558819

Cn1cnc2ccc(Cn3c4ccccc4n(CC(O)CN4CCc5ccccc5C4)c3=O)cc12

BDBM558820

Cn1cnc2ccc(Cn3c4ccccc4n(C[C@H](O)CN4CCc5ccccc5C4)c3=O)cc12 |r|

BDBM558821

Cc1ccc(Cn2c3ccccc3n(C[C@@H](O)CN3CCc4ccccc4C3)c2=O)cc1 |r|

BDBM558822

OC(CN1CCc2ccccc2C1)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=O

BDBM558823

Cc1ccccc1Cn1c2ccccc2n(CC(O)CN2CCc3ccccc3C2)c1=O

BDBM558824

Cc1ccc(Cn2c3ccccc3n(CC(O)CN3CCc4ccccc4C3)c2=O)cn1

BDBM558825

OC(CN1CCc2ccccc2C1)Cn1c2ccccc2n(Cc2ccc(cc2)C#N)c1=O

BDBM558826

Cc1cccc(Cn2c3ccccc3n(CC(O)CN3CCc4ccccc4C3)c2=O)c1

BDBM558827

OC(CN1CCc2ccccc2C1)Cn1c2ccccc2n(Cc2ccc(nc2)C#N)c1=O

BDBM558828

OC(CN1CCc2ccccc2C1)Cn1c2ccccc2n(Cc2ccc(cn2)C#N)c1=O

BDBM558829

OC(CN1CCc2ccccc2C1)Cn1c2ccccc2n(-c2ccc(cc2)C#N)c1=O

BDBM558830

COc1ccc(Cn2c3ncccc3n(CC(O)CN3CCc4ccccc4C3)c2=O)cc1

BDBM558831

COc1ccc(Cn2c3ccc(cc3n(CC(O)CN3CCc4ccccc4C3)c2=O)C#N)cc1

BDBM558832

COc1ccc(Cn2c3ccc(F)cc3n(CC(O)CN3CCc4ccccc4C3)c2=O)cc1

BDBM558833

CS(=O)(=O)c1ccc(Cn2c3ccc(F)cc3n(CC(O)CN3CCc4ccccc4C3)c2=O)cc1

BDBM558834

OC(CN1CCc2ccccc2C1)Cn1c2cc(F)ccc2n(Cc2ccc(cn2)C#N)c1=O

BDBM558835

OC(CN1CCc2ccccc2C1)Cn1c2ncccc2n(Cc2ccc(cn2)C#N)c1=O

BDBM558836

OC(CN1[C@@H]2CCCC[C@H]2N(Cc2ccc(cc2)C#N)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558837

OC(CN1[C@@H]2CCCC[C@@H]2N(Cc2ccc(cc2)C#N)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558838

O[C@@H](CN1CCN(Cc2ncc(cc2C(=O)N2CCCCC2)C#N)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558839

CC(=O)N1CCN(CC1)C(=O)c1cc(cnc1CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C1=O)C#N |r|

BDBM558840

O[C@@H](CN1CCN(Cc2ccc(NC(=O)C3COC3)cn2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558841

O[C@@H](CN1CCN(Cc2ccc(NC(=O)C3CCCC3)cn2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558842

O[C@@H](CN1CCN(Cc2ccc(NC(=O)C3CCC3)cn2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558843

O[C@@H](CN1CCN(Cc2ccc(NC(=O)C3CCOCC3)cn2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558844

O[C@@H](CN1CCN(Cc2ccc(NC3CCOCC3)cn2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM558845

CC(=O)N1CCC(CC1)Nc1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1 |r|

BDBM558846

O[C@@H](CN1CCN(Cc2ccc(cn2)C#CC2COC2)C1=O)CN1CCc2ccccc2C1 |r|

BDBM578778

NCc1n[nH]c(=O)c2cc(ccc12)-c1ccccn1

BDBM578779

CS(=O)(=O)c1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578780

NCc1n[nH]c(=O)c2ccc(cc12)-c1cccnc1

BDBM578781

CCOc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578782

Cn1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578783

Cc1ccc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578784

Cn1cc(cn1)-c1ccc2c(CN)n[nH]c(=O)c2c1

BDBM578785

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccccc2)c1

BDBM578786

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncs1

BDBM578787

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(OC(F)F)c1

BDBM578788

Cc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578789

CC(C)Oc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578790

Cc1ncc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578791

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(OCC2CC2)c1

BDBM578792

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc(nc1)C(F)(F)F

BDBM578793

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc2ccccc12

BDBM578794

CCc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578795

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc2[nH]ccc12

BDBM578796

CC(C)c1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578797

Cc1c(Cl)cncc1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578798

CCn1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578799

NCc1n[nH]c(=O)c2ccc(cc12)-c1nncn1Cc1ccccc1

BDBM578800

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2ccccc12

BDBM578801

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)N1CCOCC1

BDBM578802

CC(C)n1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578803

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2[nH]ccc2c1

BDBM578804

Cc1ncccc1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578805

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccccc2c1

BDBM578806

Cc1ccncc1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578807

Cc1ccccc1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578808

NCc1n[nH]c(=O)c2ccc(cc12)-c1ccnnc1

BDBM578809

CC(C)c1c[nH]c2ncc(cc12)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578810

Cn1nc(cc1-c1ccc2c(c1)c(CN)n[nH]c2=O)C(F)(F)F

BDBM578811

NCc1n[nH]c(=O)c2ccc(cc12)-c1ccc(nc1)C(F)(F)F

BDBM578812

Cc1cc([nH]n1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578813

Cc1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578814

Cc1nn(C)cc1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578815

NCc1n[nH]c(=O)c2ccc(cc12)-c1cccnn1

BDBM578816

CCCn1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578817

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)-n1ccc(n1)C#N

BDBM578818

Cc1nn(C)c(C)c1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578819

Cn1ncc(c1-c1ccccc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.48,2.08,;-2.94,2.08,;-2.03,3.33,;-.57,2.85,;-.57,1.31,;-2.03,.84,;-2.43,-.65,;-1.34,-1.74,;-1.74,-3.23,;-3.23,-3.62,;-4.32,-2.54,;-3.92,-1.05,;-5.01,.04,;-6.1,1.13,;.76,.54,;.76,-1,;2.1,-1.77,;3.43,-1,;3.43,.54,;2.1,1.31,;4.76,1.31,;4.76,2.85,;3.43,3.62,;6.1,.54,;6.1,-1,;4.76,-1.77,;4.76,-3.31,)|

BDBM578820

Cn1cc(c(n1)C(F)(F)F)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578821

Cn1ncc(c1-c1ccc(Cl)cc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.48,2.83,;-2.94,2.83,;-2.03,4.07,;-.57,3.6,;-.57,2.06,;-2.03,1.58,;-2.43,.09,;-1.34,-.99,;-1.74,-2.48,;-3.23,-2.88,;-3.63,-4.37,;-4.32,-1.79,;-3.92,-.3,;-5.01,.78,;-6.1,1.87,;.76,1.29,;.76,-.25,;2.1,-1.02,;3.43,-.25,;3.43,1.29,;2.1,2.06,;4.76,2.06,;4.76,3.6,;6.1,4.37,;6.1,1.29,;6.1,-.25,;4.76,-1.02,;4.76,-2.56,)|

BDBM578822

CC(C)CCn1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578823

Cn1ncc(c1-c1cc(Cl)ccc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.48,2.43,;-2.94,2.43,;-2.03,3.68,;-.57,3.2,;-.57,1.66,;-2.03,1.18,;-2.43,-.3,;-1.34,-1.39,;-1.74,-2.88,;-.65,-3.97,;-3.23,-3.28,;-4.32,-2.19,;-3.92,-.7,;-5.01,.39,;-6.1,1.48,;.76,.89,;.76,-.65,;2.1,-1.42,;3.43,-.65,;3.43,.89,;2.1,1.66,;4.76,1.66,;4.76,3.2,;6.1,3.97,;6.1,.89,;6.1,-.65,;4.76,-1.42,;4.76,-2.96,)|

BDBM578824

CC(C)Cn1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578825

COc1ccc(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(.83,-3.57,;-.65,-3.97,;-1.74,-2.88,;-3.23,-3.28,;-4.32,-2.19,;-3.92,-.7,;-5.01,.39,;-6.1,1.48,;-2.43,-.3,;-1.34,-1.39,;-2.03,1.18,;-.57,1.66,;-.57,3.2,;-2.03,3.68,;-2.94,2.43,;-4.48,2.43,;.76,.89,;.76,-.65,;2.1,-1.42,;3.43,-.65,;3.43,.89,;2.1,1.66,;4.76,1.66,;4.76,3.2,;6.1,3.97,;6.1,.89,;6.1,-.65,;4.76,-1.42,;4.76,-2.96,)|

BDBM578826

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnco1

BDBM578827

Cc1ccc(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-.65,-3.97,;-1.74,-2.88,;-3.23,-3.28,;-4.32,-2.19,;-3.92,-.7,;-5.01,.39,;-6.1,1.48,;-2.43,-.3,;-1.34,-1.39,;-2.03,1.18,;-.57,1.66,;-.57,3.2,;-2.03,3.68,;-2.94,2.43,;-4.48,2.43,;.76,.89,;.76,-.65,;2.1,-1.42,;3.43,-.65,;3.43,.89,;2.1,1.66,;4.76,1.66,;4.76,3.2,;6.1,3.97,;6.1,.89,;6.1,-.65,;4.76,-1.42,;4.76,-2.96,)|

BDBM578828

Cn1cc(-c2ccc3c(c2)c(CN)n[nH]c3=O)c2cccnc12

BDBM578829

Cc1ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(c1)C#N |(-3.63,-4.37,;-3.23,-2.88,;-1.74,-2.48,;-1.34,-.99,;-2.43,.09,;-2.03,1.58,;-.57,2.06,;-.57,3.6,;-2.03,4.07,;-2.94,2.83,;-4.48,2.83,;.76,1.29,;.76,-.25,;2.1,-1.02,;3.43,-.25,;3.43,1.29,;2.1,2.06,;4.76,2.06,;4.76,3.6,;6.1,4.37,;6.1,1.29,;6.1,-.25,;4.76,-1.02,;4.76,-2.56,;-3.92,-.3,;-4.32,-1.79,;-5.01,.78,;-6.1,1.87,)|

BDBM578830

CCc1ccc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578831

COc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.5,-1.85,;-5.41,-2.93,;-3.92,-2.54,;-2.83,-3.62,;-1.34,-3.23,;-.95,-1.74,;-2.03,-.65,;-1.64,.84,;-.17,1.31,;-.17,2.85,;-1.64,3.33,;-2.54,2.08,;-4.08,2.08,;1.16,.54,;1.16,-1,;2.5,-1.77,;3.83,-1,;3.83,.54,;2.5,1.31,;5.16,1.31,;5.16,2.85,;6.5,3.62,;6.5,.54,;6.5,-1,;5.16,-1.77,;5.16,-3.31,;-3.52,-1.05,;-4.61,.04,;-5.7,1.13,)|

BDBM578832

Cn1cncc1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578833

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncn1Cc1ccccc1

BDBM578834

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc[nH]1

BDBM578835

Cc1ncc(-c2ccc3c(c2)c(CN)n[nH]c3=O)n1CC#N

BDBM578836

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn(CCO)c1

BDBM578837

CN1CCn2ncc(c2C1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578838

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)C1CC1

BDBM578839

CC(N)c1n[nH]c(=O)c2ccc(cc12)-c1cncc2nc(C)oc12

BDBM578840

CCCc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578841

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)S(=O)c1ccccc1

BDBM578842

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(CC2CC2)c1

BDBM578843

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc2nccn12

BDBM578844

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)C(F)F

BDBM578845

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncn2cccc12

BDBM578846

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)C#N

BDBM578847

Cc1nc2ccc(Cl)nn2c1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578848

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(C#N)c1F

BDBM578849

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccc(cn12)C#N

BDBM578850

CC#Cc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578851

COc1ccc2ncc(-c3ccc4c(c3)c(CN)n[nH]c4=O)n2c1

BDBM578852

Cc1cc(cnc1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578853

Cc1ccc2ncc(-c3ccc4c(c3)c(CN)n[nH]c4=O)n2n1

BDBM578854

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)-c1ccccc1C#N

BDBM578855

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccc(Cl)nn12

BDBM578856

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(F)c1

BDBM578857

COc1ccn2c(cnc2c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578858

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Cl)c1

BDBM578859

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnsc1

BDBM578860

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)C(F)(F)F

BDBM578861

Cc1cccc(Sc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1

BDBM578862

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(O)c1

BDBM578863

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2cccnc2)c1

BDBM578864

COc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578865

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccccn2)c1

BDBM578866

Cc1ccc2ncc(-c3ccc4c(c3)c(CN)n[nH]c4=O)n2c1

BDBM578867

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ncccn2)c1

BDBM578868

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccc(F)cn12

BDBM578869

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2cccc(F)c2)c1

BDBM578870

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2c(F)cccn12

BDBM578871

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2cccc(Cl)c2)c1

BDBM578872

Cc1nc2cnccn2c1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578873

COc1cccc(Oc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1

BDBM578874

Cc1cn2c(cnc2cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578875

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2cccc(c2)C#N)c1

BDBM578876

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2cnccn12

BDBM578877

NCc1n[nH]c(=O)c2ccc(cc12)-c1cccnc1C#N

BDBM578878

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2cccnn12

BDBM578879

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccccc2F)c1

BDBM578880

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2c(F)cc(Cl)cn12

BDBM578881

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccccc2Cl)c1

BDBM578882

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2cc(Cl)ccn12

BDBM578883

Cc1ccccc1Oc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578884

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2cc(F)ccn12

BDBM578885

Cc1ccc(Oc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(C)c1

BDBM578886

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccccn12

BDBM578887

Cc1ccc(Oc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)cc1Cl

BDBM578888

Cc1ccn2c(cnc2c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578889

Cc1c(Cl)cccc1Oc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578890

Cn1ncc(c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578891

Cc1ccc(Oc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(C)c1Cl

BDBM578892

Cn1ncc(c1-c1ccccc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578893

COc1ccc(Oc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)cc1

BDBM578894

Cc1nc2ccc(F)cn2c1-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578895

COc1ccccc1Oc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578896

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccc(Cl)cn12

BDBM578897

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc3ccccc3)Cc12

BDBM578898

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2cc(ccn12)C#N

BDBM578899

Cn1ncc(c1C#N)-c1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578900

CCOc1ccc2ncc(-c3ccc4c(c3)c(CN)n[nH]c4=O)n2c1

BDBM578901

CCN1CCn2ncc(c2C1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578902

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccc(OC3CC3)cn12

BDBM578903

CC(C)N1CCn2ncc(c2C1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578904

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccc(OC(F)(F)F)cn12

BDBM578905

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc12)C1CC1

BDBM578906

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccc(cn12)-c1ccccc1

BDBM578907

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc12)c1ccccc1

BDBM578908

Cc1ncc(-c2ccc3c(c2)c(CN)n[nH]c3=O)n1C

BDBM578909

CC(=O)N1CCn2ncc(c2C1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578910

Cc1c[nH]c2ncc(cc12)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578911

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc12)C(=O)C1CC1

BDBM578912

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2[nH]cc(C#N)c2c1

BDBM578913

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc12)C(=O)C1CCC1

BDBM578914

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2[nH]cc(F)c2c1

BDBM578915

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc12)C(=O)C1CCCC1

BDBM578916

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F

BDBM578917

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc12)C(=O)C1CCCCC1

BDBM578918

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2[nH]cc(Cl)c2c1

BDBM578919

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc12)C(=O)C12CC(C1)C2

BDBM578920

CCc1c[nH]c2ncc(cc12)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578921

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(OC(F)(F)F)c1

BDBM578922

COCc1c[nH]c2ncc(cc12)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578923

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2CCN(Cc12)C(=O)c1ccccc1

BDBM578924

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2[nH]cc(CO)c2c1

BDBM578925

Cn1ncc(c1-c1cccc(F)c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578926

COc1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578927

Cn1ncc(c1-c1cccc(Cl)c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578928

Cn1ncc(c1Cl)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578929

COc1cccc(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578930

Cc1c(cncc1-c1ccc2c(c1)c(CN)n[nH]c2=O)C1CC1

BDBM578931

Cc1cccc(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578932

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Cc2ccccc2)c1

BDBM578933

Cn1ncc(c1-c1ccc(F)cc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578934

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)C(O)c1ccccc1

BDBM578935

Cn1ncc(c1-c1ccc(Cl)cc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578936

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)S(=O)(=O)c1ccccc1

BDBM578937

Cc1ccc(cc1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578938

CN(C)c1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578939

COc1ccc(cc1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578940

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnsc1-c1ccccc1

BDBM578941

Cc1ccc(cn1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578942

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Sc2ccccc2)c1

BDBM578943

CCOc1ccn2ncc(-c3ccc4c(c3)c(CN)n[nH]c4=O)c2c1

BDBM578944

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Sc2cccc(Cl)c2)c1

BDBM578945

CN(c1ccccc1)c1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578946

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Sc2ccc(Cl)cc2)c1

BDBM578947

NCc1n[nH]c(=O)c2ccc(cc12)C1CCCC1

BDBM578948

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Sc2ccccc2Cl)c1

BDBM578949

NCc1n[nH]c(=O)c2ccc(cc12)C1CCOC1

BDBM578950

Cc1ccccc1Sc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578951

NCc1n[nH]c(=O)c2ccc(cc12)-n1ccnc1

BDBM578952

Cc1ccc(Sc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)cc1

BDBM578953

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccc(cc2)C#N)c1

BDBM578954

Brc1ccc2c(CN3C(=O)c4ccccc4C3=O)n[nH]c(=O)c2c1

BDBM578955

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)-c1cc(F)ccc1C#N

BDBM578957

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)-c1ccc(cc1C#N)C#N

BDBM578959

COc1ccc(-c2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(c1)C#N

BDBM578960

Brc1ccc2c(c1)c(CN1C(=O)c3ccccc3C1=O)n[nH]c2=O

BDBM578961

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)-c1ccc(Cl)cc1C#N

BDBM578962

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccncc2)c1

BDBM578963

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)-c1ccc(F)cc1C#N

BDBM578964

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccccc2C#N)c1

BDBM578965

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)-c1cc(Cl)ccc1C#N

BDBM578966

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccc(F)cc2)c1

BDBM578967

Cc1ccc(C#N)c(c1)-c1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578968

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2ccc(Cl)cc2)c1

BDBM578969

COc1ccc(C#N)c(c1)-c1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578970

Cc1ccc(Oc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)cc1

BDBM578971

C[C@H](N)c1n[nH]c(=O)c2ccc(cc12)-c1cnn(C)c1-c1cccc(Cl)c1C#N |r,wD:1.1,(-.72,-10.87,;.61,-11.64,;1.95,-10.87,;.61,-13.18,;1.95,-13.95,;1.95,-15.49,;.61,-16.26,;.61,-17.8,;-.72,-15.49,;-2.05,-16.26,;-3.39,-15.49,;-3.39,-13.95,;-2.05,-13.18,;-.72,-13.95,;-4.72,-13.18,;-4.88,-11.65,;-6.39,-11.33,;-7.16,-12.66,;-8.65,-13.06,;-6.13,-13.8,;-6.53,-15.29,;-5.44,-16.38,;-5.84,-17.87,;-7.32,-18.27,;-8.41,-17.18,;-9.9,-17.58,;-8.06,-15.59,;-9.14,-14.49,;-10.21,-13.38,)|

BDBM578972

COCc1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578974

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(CO)c1

BDBM578976

CCCOc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-7.68,-1.37,;-6.59,-2.46,;-5.1,-2.06,;-4.01,-3.15,;-2.52,-2.75,;-1.43,-3.84,;.05,-3.44,;.45,-1.95,;-.64,-.86,;-.24,.62,;1.01,1.53,;.53,2.99,;-1.01,2.99,;-1.48,1.53,;-2.82,.76,;2.34,.76,;2.34,-.78,;3.67,-1.55,;5.01,-.78,;5.01,.76,;3.67,1.53,;6.34,1.53,;6.34,3.07,;5.01,3.84,;7.68,.76,;7.68,-.78,;6.34,-1.55,;6.34,-3.09,;-2.21,-1.17,;-3.3,-.08,;-4.39,1.01,)|

BDBM578977

CC(C)Oc1ccn2ncc(-c3ccc4c(c3)c(CN)n[nH]c4=O)c2c1

BDBM578978

COc1ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(C#N)c1C |(-5.01,-4.78,;-3.52,-4.38,;-3.12,-2.9,;-1.63,-2.5,;-1.23,-1.01,;-2.32,.08,;-1.93,1.57,;-.68,2.47,;-1.16,3.94,;-2.7,3.94,;-3.17,2.47,;-4.5,1.7,;.65,1.7,;.65,.16,;1.99,-.61,;3.32,.16,;3.32,1.7,;1.99,2.47,;4.66,2.47,;4.66,4.01,;3.32,4.78,;5.99,1.7,;5.99,.16,;4.66,-.61,;4.66,-2.15,;-3.9,-.23,;-4.99,.86,;-6.08,1.95,;-4.21,-1.81,;-5.7,-2.21,)|

BDBM578979

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn2ccc(Oc3ccccc3)cc12

BDBM578980

Cc1cc(Cl)cc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-5.7,-2.8,;-4.21,-2.4,;-3.12,-3.49,;-1.63,-3.1,;-.54,-4.18,;-1.23,-1.61,;-2.32,-.52,;-1.93,.97,;-.68,1.87,;-1.16,3.34,;-2.7,3.34,;-3.17,1.87,;-4.5,1.1,;.65,1.1,;.65,-.44,;1.99,-1.21,;3.32,-.44,;3.32,1.1,;1.99,1.87,;4.66,1.87,;4.66,3.41,;3.32,4.18,;5.99,1.1,;5.99,-.44,;4.66,-1.21,;4.66,-2.75,;-3.9,-.83,;-4.99,.26,;-6.08,1.35,)|

BDBM578981

Cn1ncc(c1OCc1ccccc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578982

Cn1ncc(c1-c1ccc2ccccc2c1Cl)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM578983

Cn1ncc(c1OCC1CC1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578984

Cn1ncc(c1-c1ccc2ccccc2n1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578985

Cn1ncc(c1CCc1ccccc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578986

Cn1ncc(c1CC(C#N)c1ccccc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM578987

Cc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-5.7,-3.15,;-4.21,-2.75,;-3.12,-3.84,;-1.63,-3.44,;-1.23,-1.95,;-2.32,-.86,;-1.93,.62,;-.68,1.53,;-1.16,2.99,;-2.7,2.99,;-3.17,1.53,;-4.5,.76,;.65,.76,;.65,-.78,;1.99,-1.55,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,;-3.85,-1.22,;-4.94,-.13,;-6.03,.95,)|

BDBM578988

Cn1ncc(c1-c1ccc2c(Cl)cccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,2.05,;-3.12,2.82,;-2.64,4.28,;-1.1,4.28,;-.63,2.82,;-1.87,1.91,;-2.27,.42,;-1.18,-.66,;-1.58,-2.15,;-3.07,-2.55,;-3.47,-4.04,;-2.38,-5.13,;-4.95,-4.44,;-6.04,-3.35,;-5.64,-1.86,;-4.16,-1.46,;-3.79,.12,;-4.87,1.23,;-5.94,2.34,;.71,2.05,;.71,.51,;2.04,-.26,;3.38,.51,;3.38,2.05,;2.04,2.82,;4.71,2.82,;4.71,4.36,;3.38,5.13,;6.04,2.05,;6.04,.51,;4.71,-.26,;4.71,-1.8,)|

BDBM578989

Cn1ncc(c1-c1cccc(Cl)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,.76,;-3.17,1.53,;-2.7,2.99,;-1.16,2.99,;-.68,1.53,;-1.93,.62,;-2.32,-.86,;-1.23,-1.95,;-1.63,-3.44,;-3.12,-3.84,;-4.21,-2.75,;-5.7,-3.15,;-3.85,-1.22,;-4.94,-.13,;-6.03,.95,;.65,.76,;.65,-.78,;1.99,-1.55,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,)|

BDBM578990

Cn1ncc(c1Cl)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-5.56,-3.74,;-4.22,-2.97,;-2.76,-3.45,;-1.85,-2.2,;-2.76,-.96,;-4.22,-1.43,;-5.56,-.66,;-2.36,.53,;-1.11,1.43,;-1.59,2.9,;-3.13,2.9,;-3.6,1.43,;-4.94,.66,;.22,.66,;.22,-.88,;1.55,-1.65,;2.89,-.88,;2.89,.66,;1.55,1.43,;4.22,1.43,;4.22,2.97,;2.89,3.74,;5.56,.66,;5.56,-.88,;4.22,-1.65,;4.22,-3.19,)|

BDBM578991

Cn1ncc(c1-c1cccc[n+]1[O-])-c1ccc2c(c1)c(CN)n[nH]c2=O |(-5.05,.76,;-3.72,1.53,;-3.24,2.99,;-1.7,2.99,;-1.22,1.53,;-2.47,.62,;-2.87,-.86,;-1.78,-1.95,;-2.18,-3.44,;-3.67,-3.84,;-4.75,-2.75,;-4.36,-1.26,;-5.44,-.17,;.11,.76,;.11,-.78,;1.44,-1.55,;2.78,-.78,;2.78,.76,;1.44,1.53,;4.11,1.53,;4.11,3.07,;2.78,3.84,;5.44,.76,;5.44,-.78,;4.11,-1.55,;4.11,-3.09,)|

BDBM578992

Cn1ncc(c1C#N)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.89,-3.74,;-3.56,-2.97,;-2.09,-3.45,;-1.19,-2.2,;-2.09,-.96,;-3.65,-1.41,;-4.91,-.53,;-6.17,.36,;-1.69,.53,;-.45,1.43,;-.92,2.9,;-2.46,2.9,;-2.94,1.43,;-4.27,.66,;.89,.66,;.89,-.88,;2.22,-1.65,;3.56,-.88,;3.56,.66,;2.22,1.43,;4.89,1.43,;4.89,2.97,;3.56,3.74,;6.22,.66,;6.22,-.88,;4.89,-1.65,;4.89,-3.19,)|

BDBM578993

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(Oc2cccc3cccnc23)c1

BDBM578994

Cn1ncc(c1-c1cnn(Cc2ccccc2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.27,3.05,;-2.94,3.82,;-2.46,5.29,;-.92,5.29,;-.45,3.82,;-1.69,2.92,;-2.09,1.43,;-1.19,.19,;-2.09,-1.06,;-3.56,-.58,;-4.64,-1.67,;-4.25,-3.16,;-5.33,-4.25,;-4.94,-5.74,;-3.45,-6.13,;-2.36,-5.05,;-2.76,-3.56,;-3.65,.98,;-4.91,1.86,;-6.17,2.75,;.89,3.05,;.89,1.51,;2.22,.74,;3.56,1.51,;3.56,3.05,;2.22,3.82,;4.89,3.82,;4.89,5.36,;3.56,6.13,;6.22,3.05,;6.22,1.51,;4.89,.74,;4.89,-.8,)|

BDBM578995

CN(c1cncc(c1)-c1ccc2c(c1)c(CN)n[nH]c2=O)c1cccc2cccnc12

BDBM578996

Cn1ncc(c1-c1cc(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.91,1.9,;-2.57,2.67,;-2.1,4.14,;-.56,4.14,;-.08,2.67,;-1.33,1.77,;-1.73,.28,;-.64,-.81,;-1.04,-2.3,;.05,-3.39,;-2.52,-2.7,;-3.61,-1.61,;-5.1,-2.01,;-5.5,-3.49,;-6.59,-4.58,;-5.1,-4.98,;-3.3,-.03,;-4.39,1.06,;-5.48,2.15,;1.25,1.9,;1.25,.36,;2.59,-.41,;3.92,.36,;3.92,1.9,;2.59,2.67,;5.25,2.67,;5.25,4.21,;3.92,4.98,;6.59,1.9,;6.59,.36,;5.25,-.41,;5.25,-1.95,)|

BDBM578997

CCc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.39,-2.06,;-5.3,-3.15,;-3.81,-2.75,;-2.72,-3.84,;-1.23,-3.44,;-.84,-1.95,;-1.93,-.86,;-1.53,.62,;-.28,1.53,;-.76,2.99,;-2.3,2.99,;-2.77,1.53,;-4.11,.76,;1.05,.76,;1.05,-.78,;2.39,-1.55,;3.72,-.78,;3.72,.76,;2.39,1.53,;5.05,1.53,;5.05,3.07,;3.72,3.84,;6.39,.76,;6.39,-.78,;5.05,-1.55,;5.05,-3.09,;-3.5,-1.22,;-4.6,-.14,;-5.7,.93,)|

BDBM578998

CCCc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.79,-4.44,;-5.3,-4.04,;-4.9,-2.55,;-3.41,-2.15,;-2.32,-3.24,;-.84,-2.84,;-.44,-1.35,;-1.53,-.27,;-1.13,1.22,;.12,2.13,;-.36,3.59,;-1.9,3.59,;-2.37,2.13,;-3.71,1.36,;1.45,1.36,;1.45,-.18,;2.79,-.95,;4.12,-.18,;4.12,1.36,;2.79,2.13,;5.45,2.13,;5.45,3.67,;4.12,4.44,;6.79,1.36,;6.79,-.18,;5.45,-.95,;5.45,-2.49,;-3.1,-.57,;-4.19,.51,;-5.28,1.6,)|

BDBM578999

CCc1ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(c1)C#N |(-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-1.63,-2.15,;-1.23,-.66,;-2.32,.42,;-1.93,1.91,;-.68,2.82,;-1.16,4.28,;-2.7,4.28,;-3.17,2.82,;-4.5,2.05,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,;-3.9,.07,;-4.21,-1.46,;-5,1.14,;-6.1,2.22,)|

BDBM579000

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM579001

CCc1ccc(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(.94,-3.79,;-.54,-4.18,;-1.63,-3.1,;-3.12,-3.49,;-4.21,-2.4,;-3.9,-.88,;-5,.2,;-6.1,1.28,;-2.32,-.52,;-1.23,-1.61,;-1.93,.97,;-.68,1.87,;-1.16,3.34,;-2.7,3.34,;-3.17,1.87,;-4.5,1.1,;.65,1.1,;.65,-.44,;1.99,-1.21,;3.32,-.44,;3.32,1.1,;1.99,1.87,;4.66,1.87,;4.66,3.41,;3.32,4.18,;5.99,1.1,;5.99,-.44,;4.66,-1.21,;4.66,-2.75,)|

BDBM579002

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2ccc(nn12)-c1ccccc1

BDBM579003

Cn1ncc(c1-c1ccc(cc1C#N)C1CC1)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,2.25,;-3.17,3.02,;-2.7,4.48,;-1.16,4.48,;-.68,3.02,;-1.93,2.11,;-2.32,.62,;-1.23,-.47,;-1.63,-1.95,;-3.12,-2.35,;-4.21,-1.26,;-3.9,.27,;-5,1.34,;-6.1,2.42,;-3.52,-3.84,;-4.61,-4.93,;-3.12,-5.33,;.65,2.25,;.65,.71,;1.99,-.06,;3.32,.71,;3.32,2.25,;1.99,3.02,;4.66,3.02,;4.66,4.56,;3.32,5.33,;5.99,2.25,;5.99,.71,;4.66,-.06,;4.66,-1.6,)|

BDBM579004

Cn1ncc(c1-c1ccc2cccnc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM579005

Cc1cc(C#N)c(cc1Cl)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.52,-4.58,;-3.12,-3.1,;-4.21,-2.01,;-3.9,-.43,;-4.99,.66,;-6.08,1.75,;-2.32,-.12,;-1.23,-1.21,;-1.63,-2.7,;-.54,-3.79,;-1.93,1.37,;-.68,2.27,;-1.16,3.74,;-2.7,3.74,;-3.17,2.27,;-4.5,1.5,;.65,1.5,;.65,-.04,;1.99,-.81,;3.32,-.04,;3.32,1.5,;1.99,2.27,;4.66,2.27,;4.66,3.81,;3.32,4.58,;5.99,1.5,;5.99,-.04,;4.66,-.81,;4.66,-2.35,)|

BDBM579006

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn(CCO)c1-c1ccccc1C#N |(3.91,3.84,;5.25,3.07,;5.25,1.53,;6.58,.76,;6.58,-.78,;5.25,-1.55,;5.25,-3.09,;3.91,-.78,;2.58,-1.55,;1.25,-.78,;1.25,.76,;2.58,1.53,;3.91,.76,;-.09,1.53,;-.56,2.99,;-2.1,2.99,;-2.58,1.53,;-3.91,.76,;-5.25,1.53,;-6.58,.76,;-1.33,.62,;-1.73,-.86,;-.64,-1.95,;-1.04,-3.44,;-2.53,-3.84,;-3.62,-2.75,;-3.31,-1.17,;-4.4,-.08,;-5.49,1.01,)|

BDBM579007

Cn1ncc(c1-c1cc2ccccc2cc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,2.05,;-3.17,2.82,;-2.7,4.28,;-1.16,4.28,;-.68,2.82,;-1.93,1.91,;-2.32,.42,;-1.23,-.66,;-1.63,-2.15,;-.54,-3.24,;-.94,-4.73,;-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-4.21,-1.46,;-3.81,.03,;-4.9,1.11,;-5.99,2.2,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,)|

BDBM579008

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn(CO)c1-c1ccccc1C#N |(3.32,3.84,;4.66,3.07,;4.66,1.53,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,;3.32,-.78,;1.99,-1.55,;.65,-.78,;.65,.76,;1.99,1.53,;3.32,.76,;-.68,1.53,;-1.16,2.99,;-2.7,2.99,;-3.17,1.53,;-4.5,.76,;-5.84,1.53,;-1.93,.62,;-2.32,-.86,;-1.23,-1.95,;-1.63,-3.44,;-3.12,-3.84,;-4.21,-2.75,;-3.9,-1.17,;-4.99,-.08,;-6.08,1.01,)|

BDBM579009

COc1cc(C#N)c(cc1OC)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-4.21,-1.46,;-3.9,.12,;-4.99,1.2,;-6.08,2.29,;-2.32,.42,;-1.23,-.66,;-1.63,-2.15,;-.54,-3.24,;.94,-2.84,;-1.93,1.91,;-.68,2.82,;-1.16,4.28,;-2.7,4.28,;-3.17,2.82,;-4.5,2.05,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,)|

BDBM579010

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)C1CCCOC1

BDBM579011

COc1cc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(cc1Cl)C#N |(.94,-3.39,;-.54,-3.79,;-1.63,-2.7,;-1.23,-1.21,;-2.32,-.12,;-1.93,1.37,;-.68,2.27,;-1.16,3.74,;-2.7,3.74,;-3.17,2.27,;-4.5,1.5,;.65,1.5,;.65,-.04,;1.99,-.81,;3.32,-.04,;3.32,1.5,;1.99,2.27,;4.66,2.27,;4.66,3.81,;3.32,4.58,;5.99,1.5,;5.99,-.04,;4.66,-.81,;4.66,-2.35,;-3.9,-.43,;-4.21,-2.01,;-3.12,-3.1,;-3.52,-4.58,;-4.99,.66,;-6.08,1.75,)|

BDBM579012

Cn1ncc(c1-c1ccc2OCCCc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM579013

Cc1cc(C#N)c(cc1C)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.52,-4.58,;-3.12,-3.1,;-4.21,-2.01,;-3.9,-.43,;-4.99,.66,;-6.08,1.75,;-2.32,-.12,;-1.23,-1.21,;-1.63,-2.7,;-.54,-3.79,;-1.93,1.37,;-.68,2.27,;-1.16,3.74,;-2.7,3.74,;-3.17,2.27,;-4.5,1.5,;.65,1.5,;.65,-.04,;1.99,-.81,;3.32,-.04,;3.32,1.5,;1.99,2.27,;4.66,2.27,;4.66,3.81,;3.32,4.58,;5.99,1.5,;5.99,-.04,;4.66,-.81,;4.66,-2.35,)|

BDBM579014

COc1cnc2ccc(-c3c(cnn3C)-c3ccc4c(c3)c(CN)n[nH]c4=O)c(C#N)c2c1 |(-6.99,-5.18,;-6.59,-3.69,;-5.1,-3.29,;-4.01,-4.38,;-2.52,-3.98,;-2.12,-2.5,;-.64,-2.1,;-.24,-.61,;-1.33,.48,;-.93,1.97,;.32,2.87,;-.16,4.34,;-1.7,4.34,;-2.17,2.87,;-3.51,2.1,;1.65,2.1,;1.65,.56,;2.98,-.21,;4.32,.56,;4.32,2.1,;2.98,2.87,;5.65,2.87,;5.65,4.41,;4.32,5.18,;6.99,2.1,;6.99,.56,;5.65,-.21,;5.65,-1.75,;-2.81,.08,;-3.9,1.17,;-4.99,2.26,;-3.21,-1.41,;-4.7,-1.81,)|

BDBM579015

Cc1cc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(cc1Cl)C#N |(-.54,-3.79,;-1.63,-2.7,;-1.23,-1.21,;-2.32,-.12,;-1.93,1.37,;-.68,2.27,;-1.16,3.74,;-2.7,3.74,;-3.17,2.27,;-4.5,1.5,;.65,1.5,;.65,-.04,;1.99,-.81,;3.32,-.04,;3.32,1.5,;1.99,2.27,;4.66,2.27,;4.66,3.81,;3.32,4.58,;5.99,1.5,;5.99,-.04,;4.66,-.81,;4.66,-2.35,;-3.9,-.43,;-4.21,-2.01,;-3.12,-3.1,;-3.52,-4.58,;-4.99,.66,;-6.08,1.75,)|

BDBM579016

Cn1ncc(c1-c1cccc(C2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.91,.96,;-2.57,1.73,;-2.1,3.19,;-.56,3.19,;-.08,1.73,;-1.33,.82,;-1.73,-.66,;-.64,-1.75,;-1.04,-3.24,;-2.52,-3.64,;-3.61,-2.55,;-5.1,-2.95,;-6.59,-2.55,;-6.19,-4.04,;-3.3,-.97,;-4.39,.12,;-5.48,1.2,;1.25,.96,;1.25,-.58,;2.59,-1.35,;3.92,-.58,;3.92,.96,;2.59,1.73,;5.25,1.73,;5.25,3.27,;3.92,4.04,;6.59,.96,;6.59,-.58,;5.25,-1.35,;5.25,-2.89,)|

BDBM579017

COc1cc(C#N)c(cc1Cl)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-4.21,-1.46,;-3.9,.12,;-4.99,1.2,;-6.08,2.29,;-2.32,.42,;-1.23,-.66,;-1.63,-2.15,;-.54,-3.24,;-1.93,1.91,;-.68,2.82,;-1.16,4.28,;-2.7,4.28,;-3.17,2.82,;-4.5,2.05,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,)|

BDBM579018

CCc1c(Cl)ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.39,-1.32,;-5.3,-2.4,;-3.81,-2.01,;-2.72,-3.1,;-3.12,-4.58,;-1.23,-2.7,;-.84,-1.21,;-1.93,-.12,;-1.53,1.37,;-.28,2.27,;-.76,3.74,;-2.3,3.74,;-2.77,2.27,;-4.11,1.5,;1.05,1.5,;1.05,-.04,;2.39,-.81,;3.72,-.04,;3.72,1.5,;2.39,2.27,;5.05,2.27,;5.05,3.81,;3.72,4.58,;6.39,1.5,;6.39,-.04,;5.05,-.81,;5.05,-2.35,;-3.5,-.43,;-4.59,.66,;-5.68,1.75,)|

BDBM579019

CCc1ccc(cc1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579021

CCc1c(OC)ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.39,-.77,;-5.3,-1.86,;-3.81,-1.46,;-2.72,-2.55,;-3.12,-4.04,;-2.03,-5.13,;-1.23,-2.15,;-.84,-.66,;-1.93,.42,;-1.53,1.91,;-.28,2.82,;-.76,4.28,;-2.3,4.28,;-2.77,2.82,;-4.11,2.05,;1.05,2.05,;1.05,.51,;2.39,-.26,;3.72,.51,;3.72,2.05,;2.39,2.82,;5.05,2.82,;5.05,4.36,;3.72,5.13,;6.39,2.05,;6.39,.51,;5.05,-.26,;5.05,-1.8,;-3.5,.11,;-4.59,1.2,;-5.68,2.29,)|

BDBM579022

CCc1cc(OC)cc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.39,-1.71,;-5.3,-2.8,;-3.81,-2.4,;-2.72,-3.49,;-1.23,-3.1,;-.15,-4.18,;1.34,-3.79,;-.84,-1.61,;-1.93,-.52,;-1.53,.97,;-.28,1.87,;-.76,3.34,;-2.3,3.34,;-2.77,1.87,;-4.11,1.1,;1.05,1.1,;1.05,-.44,;2.39,-1.21,;3.72,-.44,;3.72,1.1,;2.39,1.87,;5.05,1.87,;5.05,3.41,;3.72,4.18,;6.39,1.1,;6.39,-.44,;5.05,-1.21,;5.05,-2.75,;-3.5,-.83,;-4.59,.26,;-5.68,1.35,)|

BDBM579023

Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;.31,-.61,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM579024

COc1cc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(C#N)c2ccccc12 |(1,-3.19,;-.49,-3.59,;-1.58,-2.5,;-1.18,-1.01,;-2.27,.08,;-1.87,1.57,;-.63,2.47,;-1.1,3.94,;-2.64,3.94,;-3.12,2.47,;-4.45,1.7,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;-4.16,-1.81,;-5.64,-2.21,;-6.04,-3.69,;-4.95,-4.78,;-3.47,-4.38,;-3.07,-2.9,)|

BDBM579025

Cn1ncc(c1-c1cc(Cl)c2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-.49,-3.59,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM579026

Cn1ncc(c1-c1cccc2COCc12)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.35,.76,;-3.02,1.53,;-2.54,2.99,;-1,2.99,;-.52,1.53,;-1.77,.62,;-2.17,-.86,;-1.08,-1.95,;-1.48,-3.44,;-2.97,-3.84,;-4.05,-2.75,;-5.59,-2.83,;-6.14,-1.39,;-4.95,-.42,;-3.66,-1.26,;.81,.76,;.81,-.78,;2.14,-1.55,;3.48,-.78,;3.48,.76,;2.14,1.53,;4.81,1.53,;4.81,3.07,;3.48,3.84,;6.14,.76,;6.14,-.78,;4.81,-1.55,;4.81,-3.09,)|

BDBM579027

Cn1ncc(c1-c1cccc2CCOCc12)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.11,.76,;-2.77,1.53,;-2.3,2.99,;-.76,2.99,;-.28,1.53,;-1.53,.62,;-1.93,-.86,;-.84,-1.95,;-1.23,-3.44,;-2.72,-3.84,;-3.81,-2.75,;-5.3,-3.15,;-6.39,-2.06,;-5.99,-.57,;-4.5,-.17,;-3.41,-1.26,;1.05,.76,;1.05,-.78,;2.39,-1.55,;3.72,-.78,;3.72,.76,;2.39,1.53,;5.05,1.53,;5.05,3.07,;3.72,3.84,;6.39,.76,;6.39,-.78,;5.05,-1.55,;5.05,-3.09,)|

BDBM579028

Cn1ncc(c1-c1cccc2ccncc12)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.11,.76,;-2.77,1.53,;-2.3,2.99,;-.76,2.99,;-.28,1.53,;-1.53,.62,;-1.93,-.86,;-.84,-1.95,;-1.23,-3.44,;-2.72,-3.84,;-3.81,-2.75,;-5.3,-3.15,;-6.39,-2.06,;-5.99,-.57,;-4.5,-.17,;-3.41,-1.26,;1.05,.76,;1.05,-.78,;2.39,-1.55,;3.72,-.78,;3.72,.76,;2.39,1.53,;5.05,1.53,;5.05,3.07,;3.72,3.84,;6.39,.76,;6.39,-.78,;5.05,-1.55,;5.05,-3.09,)|

BDBM579029

Cn1ncc(c1-c1ccc(OC2CC2)c2cncn12)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.34,2.79,;-3,3.56,;-2.53,5.03,;-.99,5.03,;-.51,3.56,;-1.76,2.66,;-2.16,1.17,;-1.13,.03,;-1.6,-1.44,;-3.11,-1.76,;-3.59,-3.22,;-2.55,-4.37,;-2.23,-5.87,;-1.09,-4.84,;-4.14,-.61,;-5.68,-.61,;-6.16,.85,;-4.91,1.76,;-3.66,.85,;.82,2.79,;.82,1.25,;2.15,.48,;3.49,1.25,;3.49,2.79,;2.15,3.56,;4.82,3.56,;4.82,5.1,;3.49,5.87,;6.16,2.79,;6.16,1.25,;4.82,.48,;4.82,-1.06,)|

BDBM579030

Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.27,1.79,;-2.94,2.56,;-2.46,4.02,;-.92,4.02,;-.45,2.56,;-1.69,1.65,;-2.09,.16,;-1.19,-1.08,;-2.09,-2.33,;-1.77,-3.84,;-2.91,-4.87,;-4.38,-4.39,;-4.7,-2.88,;-3.56,-1.85,;-3.56,-.31,;-4.8,.59,;-6.05,1.5,;.89,1.79,;.89,.25,;2.22,-.52,;3.56,.25,;3.56,1.79,;2.22,2.56,;4.89,2.56,;4.89,4.1,;3.56,4.87,;6.22,1.79,;6.22,.25,;4.89,-.52,;4.89,-2.06,)|

BDBM579031

CC(C)c1ccc(cc1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579032

Cn1ncc(c1-c1ccc(OC2CC2)cc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579033

Cn1ncc(c1-c1cccc(OC2CCC2)c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579034

Cn1ncc(c1-c1ccc(OC2CCC2)cc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579035

Cn1ncc(c1-c1ccc2ccccc2c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579037

Cn1ncc(c1-c1cc(Cl)cc(Cl)c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579038

Cn1ncc(c1-c1ccccc1F)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-5.05,.76,;-3.72,1.53,;-3.24,2.99,;-1.7,2.99,;-1.22,1.53,;-2.47,.62,;-2.87,-.86,;-1.78,-1.95,;-2.18,-3.44,;-3.67,-3.84,;-4.75,-2.75,;-4.36,-1.26,;-5.44,-.17,;.11,.76,;.11,-.78,;1.44,-1.55,;2.78,-.78,;2.78,.76,;1.44,1.53,;4.11,1.53,;4.11,3.07,;2.78,3.84,;5.44,.76,;5.44,-.78,;4.11,-1.55,;4.11,-3.09,)|

BDBM579039

NCc1n[nH]c(=O)c2ccc(cc12)-c1cncc(c1)-c1cc(ccc1C#N)C#N

BDBM579040

Cn1ncc(c1-c1ccccc1Cl)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-5.05,.76,;-3.72,1.53,;-3.24,2.99,;-1.7,2.99,;-1.22,1.53,;-2.47,.62,;-2.87,-.86,;-1.78,-1.95,;-2.18,-3.44,;-3.67,-3.84,;-4.75,-2.75,;-4.36,-1.26,;-5.44,-.17,;.11,.76,;.11,-.78,;1.44,-1.55,;2.78,-.78,;2.78,.76,;1.44,1.53,;4.11,1.53,;4.11,3.07,;2.78,3.84,;5.44,.76,;5.44,-.78,;4.11,-1.55,;4.11,-3.09,)|

BDBM579041

Cn1ncc(c1-c1c(Cl)cccc1Cl)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-5.05,.76,;-3.72,1.53,;-3.24,2.99,;-1.7,2.99,;-1.22,1.53,;-2.47,.62,;-2.87,-.86,;-4.36,-1.26,;-5.44,-.17,;-4.75,-2.75,;-3.67,-3.84,;-2.18,-3.44,;-1.78,-1.95,;-.29,-1.55,;.11,.76,;.11,-.78,;1.44,-1.55,;2.78,-.78,;2.78,.76,;1.44,1.53,;4.11,1.53,;4.11,3.07,;2.78,3.84,;5.44,.76,;5.44,-.78,;4.11,-1.55,;4.11,-3.09,)|

BDBM579042

C[C@@H](N)c1n[nH]c(=O)c2ccc(cc12)-c1cnn(C)c1-c1cccc(Cl)c1C#N |r,wU:1.1,(16.03,-10.87,;17.36,-11.64,;18.69,-10.87,;17.36,-13.18,;18.69,-13.95,;18.69,-15.49,;17.36,-16.26,;17.36,-17.8,;16.03,-15.49,;14.69,-16.26,;13.36,-15.49,;13.36,-13.95,;14.69,-13.18,;16.03,-13.95,;12.03,-13.18,;11.86,-11.65,;10.36,-11.33,;9.59,-12.66,;8.1,-13.06,;10.62,-13.8,;10.22,-15.29,;11.31,-16.38,;10.91,-17.87,;9.42,-18.27,;8.33,-17.18,;6.85,-17.58,;8.68,-15.59,;7.61,-14.49,;6.53,-13.38,)|

BDBM579043

CCOc1ccc(cc1C#N)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579044

Cn1ncc(c1-c1ccc2ccccc2c1C#N)-c1ccc2c(c1)c(n[nH]c2=O)[C@H](N)C(F)F |r,wU:29.34,(-5.62,2.3,;-4.13,2.7,;-3.36,4.04,;-1.85,3.72,;-1.69,2.19,;-3.1,1.56,;-3.5,.07,;-2.41,-1.02,;-2.81,-2.51,;-4.3,-2.9,;-4.69,-4.39,;-6.18,-4.79,;-7.27,-3.7,;-6.87,-2.21,;-5.38,-1.81,;-5,-.28,;-6.08,.82,;-7.16,1.92,;-.36,1.42,;-.36,-.12,;.97,-.89,;2.31,-.12,;2.31,1.42,;.97,2.19,;3.64,2.19,;4.98,1.42,;4.98,-.12,;3.64,-.89,;3.64,-2.43,;3.64,3.73,;4.98,4.5,;2.31,4.5,;2.31,6.04,;.97,3.73,)|

BDBM579045

CCOc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-7.13,-2.46,;-5.64,-2.06,;-4.56,-3.15,;-3.07,-2.75,;-1.98,-3.84,;-.49,-3.44,;-.09,-1.95,;-1.18,-.86,;-.78,.62,;.46,1.53,;-.01,2.99,;-1.55,2.99,;-2.03,1.53,;-3.36,.76,;1.8,.76,;1.8,-.78,;3.13,-1.55,;4.46,-.78,;4.46,.76,;3.13,1.53,;5.8,1.53,;5.8,3.07,;4.46,3.84,;7.13,.76,;7.13,-.78,;5.8,-1.55,;5.8,-3.09,;-2.76,-1.17,;-3.85,-.08,;-4.94,1.01,)|

BDBM579046

Cn1ncc(c1-c1ccc2ccccc2c1C#N)-c1ccc2c(c1)c(n[nH]c2=O)[C@@H](N)C(F)F |r,wD:29.34,(-1.19,-14.77,;.3,-14.37,;1.07,-13.04,;2.57,-13.36,;2.73,-14.89,;1.33,-15.51,;.93,-17,;2.02,-18.09,;1.62,-19.58,;.13,-19.98,;-.27,-21.46,;-1.75,-21.86,;-2.84,-20.77,;-2.44,-19.29,;-.96,-18.89,;-.57,-17.35,;-1.65,-16.25,;-2.73,-15.15,;4.07,-15.66,;4.07,-17.2,;5.4,-17.97,;6.74,-17.2,;6.74,-15.66,;5.4,-14.89,;8.07,-14.89,;9.4,-15.66,;9.4,-17.2,;8.07,-17.97,;8.07,-19.51,;8.07,-13.35,;9.4,-12.58,;6.74,-12.58,;5.4,-13.35,;6.74,-11.04,)|

BDBM579047

Cn1ncc(c1-c1ccc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM579048

Cn1ncc(c1-c1ccc2ccccc2c1C#N)-c1cc(Cl)c2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;2.04,-2.15,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM579049

Cn1ncc(c1-c1ccc(Cl)c(Cl)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,1.5,;-3.17,2.27,;-2.7,3.74,;-1.16,3.74,;-.68,2.27,;-1.93,1.37,;-2.32,-.12,;-1.23,-1.21,;-1.63,-2.7,;-3.12,-3.1,;-3.52,-4.58,;-4.21,-2.01,;-5.7,-2.4,;-3.9,-.43,;-4.99,.66,;-6.08,1.75,;.65,1.5,;.65,-.04,;1.99,-.81,;3.32,-.04,;3.32,1.5,;1.99,2.27,;4.66,2.27,;4.66,3.81,;3.32,4.58,;5.99,1.5,;5.99,-.04,;4.66,-.81,;4.66,-2.35,)|

BDBM579050

Cn1ncc(c1-c1ccc2ccccc2c1C#N)-c1cc(F)c2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;2.04,-2.15,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM579051

Cn1ncc(c1-c1ccc2ncccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|

BDBM579052

Cn1ncc(c1-c1cccc(Cl)c1C#N)-c1cc(Cl)c2c(c1)c(CN)n[nH]c2=O |(-4.5,.76,;-3.17,1.53,;-2.7,2.99,;-1.16,2.99,;-.68,1.53,;-1.93,.62,;-2.32,-.86,;-1.23,-1.95,;-1.63,-3.44,;-3.12,-3.84,;-4.21,-2.75,;-5.7,-3.15,;-3.9,-1.17,;-4.99,-.08,;-6.08,1.01,;.65,.76,;.65,-.78,;1.99,-1.55,;1.99,-3.09,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,)|

BDBM579053

Cc1cc(Cl)c(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-.54,-4.18,;-1.63,-3.1,;-3.12,-3.49,;-4.21,-2.4,;-5.7,-2.8,;-3.9,-.83,;-4.99,.26,;-6.08,1.35,;-2.32,-.52,;-1.23,-1.61,;-1.93,.97,;-.68,1.87,;-1.16,3.34,;-2.7,3.34,;-3.17,1.87,;-4.5,1.1,;.65,1.1,;.65,-.44,;1.99,-1.21,;3.32,-.44,;3.32,1.1,;1.99,1.87,;4.66,1.87,;4.66,3.41,;3.32,4.18,;5.99,1.1,;5.99,-.44,;4.66,-1.21,;4.66,-2.75,)|

BDBM579054

CCc1cccc(-c2c(cnn2C)-c2cc(Cl)c3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.04,-4.24,;-5.64,-2.75,;-4.16,-2.35,;-3.07,-3.44,;-1.58,-3.04,;-1.18,-1.55,;-2.27,-.47,;-1.87,1.02,;-.63,1.93,;-1.1,3.39,;-2.64,3.39,;-3.12,1.93,;-4.45,1.16,;.71,1.16,;.71,-.38,;2.04,-1.15,;2.04,-2.69,;3.38,-.38,;3.38,1.16,;2.04,1.93,;4.71,1.93,;4.71,3.47,;3.38,4.24,;6.04,1.16,;6.04,-.38,;4.71,-1.15,;4.71,-2.69,;-3.85,-.77,;-4.94,.31,;-6.03,1.4,)|

BDBM579055

Cc1ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(C#N)c1Cl |(-3.52,-4.58,;-3.12,-3.1,;-1.63,-2.7,;-1.23,-1.21,;-2.32,-.12,;-1.93,1.37,;-.68,2.27,;-1.16,3.74,;-2.7,3.74,;-3.17,2.27,;-4.5,1.5,;.65,1.5,;.65,-.04,;1.99,-.81,;3.32,-.04,;3.32,1.5,;1.99,2.27,;4.66,2.27,;4.66,3.81,;3.32,4.58,;5.99,1.5,;5.99,-.04,;4.66,-.81,;4.66,-2.35,;-3.9,-.43,;-4.99,.66,;-6.08,1.75,;-4.21,-2.01,;-5.7,-2.4,)|

BDBM579056

CCOc1cccc(-c2c(cnn2C)-c2cc(Cl)c3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.79,-4.44,;-5.3,-4.04,;-4.9,-2.55,;-3.41,-2.15,;-2.32,-3.24,;-.84,-2.84,;-.44,-1.35,;-1.53,-.27,;-1.13,1.22,;.12,2.13,;-.36,3.59,;-1.9,3.59,;-2.37,2.13,;-3.71,1.36,;1.45,1.36,;1.45,-.18,;2.79,-.95,;2.79,-2.49,;4.12,-.18,;4.12,1.36,;2.79,2.13,;5.45,2.13,;5.45,3.67,;4.12,4.44,;6.79,1.36,;6.79,-.18,;5.45,-.95,;5.45,-2.49,;-3.1,-.57,;-4.19,.51,;-5.28,1.6,)|

BDBM579057

Cn1ncc(c1-c1c(F)cccc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,.76,;-3.17,1.53,;-2.7,2.99,;-1.16,2.99,;-.68,1.53,;-1.93,.62,;-2.32,-.86,;-1.23,-1.95,;.31,-1.95,;-1.63,-3.44,;-3.12,-3.84,;-4.21,-2.75,;-3.9,-1.17,;-4.99,-.08,;-6.08,1.01,;.65,.76,;.65,-.78,;1.99,-1.55,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,)|

BDBM579058

Cn1ncc(c1-c1cccc(Cl)c1C#N)-c1cc(F)c2c(c1)c(CN)n[nH]c2=O |(-4.5,.76,;-3.17,1.53,;-2.7,2.99,;-1.16,2.99,;-.68,1.53,;-1.93,.62,;-2.32,-.86,;-1.23,-1.95,;-1.63,-3.44,;-3.12,-3.84,;-4.21,-2.75,;-5.7,-3.15,;-3.9,-1.17,;-4.99,-.08,;-6.08,1.01,;.65,.76,;.65,-.78,;1.99,-1.55,;1.99,-3.09,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,)|

BDBM579059

CCc1cccc(-c2c(cnn2C)-c2cc(C)c3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.04,-4.24,;-5.64,-2.75,;-4.16,-2.35,;-3.07,-3.44,;-1.58,-3.04,;-1.18,-1.55,;-2.27,-.47,;-1.87,1.02,;-.63,1.93,;-1.1,3.39,;-2.64,3.39,;-3.12,1.93,;-4.45,1.16,;.71,1.16,;.71,-.38,;2.04,-1.15,;2.04,-2.69,;3.38,-.38,;3.38,1.16,;2.04,1.93,;4.71,1.93,;4.71,3.47,;3.38,4.24,;6.04,1.16,;6.04,-.38,;4.71,-1.15,;4.71,-2.69,;-3.85,-.77,;-4.94,.31,;-6.03,1.4,)|

BDBM579060

Cn1ncc(c1-c1ccccc1C(F)F)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,.76,;-3.17,1.53,;-2.7,2.99,;-1.16,2.99,;-.68,1.53,;-1.93,.62,;-2.32,-.86,;-1.23,-1.95,;-1.63,-3.44,;-3.12,-3.84,;-4.21,-2.75,;-3.81,-1.26,;-4.9,-.17,;-5.99,.92,;-5.99,-1.26,;.65,.76,;.65,-.78,;1.99,-1.55,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,)|

BDBM579061

CCc1cccc(-c2c(cnn2C)-c2cc(F)c3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.04,-4.24,;-5.64,-2.75,;-4.16,-2.35,;-3.07,-3.44,;-1.58,-3.04,;-1.18,-1.55,;-2.27,-.47,;-1.87,1.02,;-.63,1.93,;-1.1,3.39,;-2.64,3.39,;-3.12,1.93,;-4.45,1.16,;.71,1.16,;.71,-.38,;2.04,-1.15,;2.04,-2.69,;3.38,-.38,;3.38,1.16,;2.04,1.93,;4.71,1.93,;4.71,3.47,;3.38,4.24,;6.04,1.16,;6.04,-.38,;4.71,-1.15,;4.71,-2.69,;-3.85,-.77,;-4.94,.31,;-6.03,1.4,)|

BDBM579062

Cn1ncc(c1OCc1ccccc1Cl)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579063

CCOc1cccc(-c2c(cnn2C)-c2cc(C)c3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.79,-4.44,;-5.3,-4.04,;-4.9,-2.55,;-3.41,-2.15,;-2.32,-3.24,;-.84,-2.84,;-.44,-1.35,;-1.53,-.27,;-1.13,1.22,;.12,2.13,;-.36,3.59,;-1.9,3.59,;-2.37,2.13,;-3.71,1.36,;1.45,1.36,;1.45,-.18,;2.79,-.95,;2.79,-2.49,;4.12,-.18,;4.12,1.36,;2.79,2.13,;5.45,2.13,;5.45,3.67,;4.12,4.44,;6.79,1.36,;6.79,-.18,;5.45,-.95,;5.45,-2.49,;-3.1,-.57,;-4.19,.51,;-5.28,1.6,)|

BDBM579064

Cn1ncc(c1OCc1cccc(Cl)c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579065

CCOc1cccc(-c2c(cnn2C)-c2cc(F)c3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.79,-4.44,;-5.3,-4.04,;-4.9,-2.55,;-3.41,-2.15,;-2.32,-3.24,;-.84,-2.84,;-.44,-1.35,;-1.53,-.27,;-1.13,1.22,;.12,2.13,;-.36,3.59,;-1.9,3.59,;-2.37,2.13,;-3.71,1.36,;1.45,1.36,;1.45,-.18,;2.79,-.95,;2.79,-2.49,;4.12,-.18,;4.12,1.36,;2.79,2.13,;5.45,2.13,;5.45,3.67,;4.12,4.44,;6.79,1.36,;6.79,-.18,;5.45,-.95,;5.45,-2.49,;-3.1,-.57,;-4.19,.51,;-5.28,1.6,)|

BDBM579066

Cn1ncc(c1OCc1ccc(Cl)cc1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579067

Cc1cc(cc2c(CN)n[nH]c(=O)c12)-c1cnn(C)c1-c1ccc2ccccc2c1C#N |(2.04,-2.15,;2.04,-.61,;.71,.16,;.71,1.7,;2.04,2.47,;3.38,1.7,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,;3.38,.16,;-.63,2.47,;-1.1,3.94,;-2.64,3.94,;-3.12,2.47,;-4.45,1.7,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,)|

BDBM579068

Cc1cc(cc2c(CN)n[nH]c(=O)c12)-c1cnn(C)c1-c1cccc(OC2CC2)c1C#N |(2.59,-1.95,;2.59,-.41,;1.25,.36,;1.25,1.9,;2.59,2.67,;3.92,1.9,;5.25,2.67,;5.25,4.21,;3.92,4.98,;6.59,1.9,;6.59,.36,;5.25,-.41,;5.25,-1.95,;3.92,.36,;-.08,2.67,;-.56,4.14,;-2.1,4.14,;-2.57,2.67,;-3.91,1.9,;-1.33,1.77,;-1.73,.28,;-.64,-.81,;-1.04,-2.3,;-2.52,-2.7,;-3.61,-1.61,;-5.1,-2.01,;-5.5,-3.49,;-6.59,-4.58,;-5.1,-4.98,;-3.3,-.03,;-4.39,1.06,;-5.48,2.15,)|

BDBM579069

Cn1ncc(c1-c1cccc(Cl)c1C#N)-c1ccc2c(c1)c(CN1C(=O)c3ccccc3C1=O)n[nH]c2=O |(-7.74,-.11,;-6.25,.29,;-5.48,1.62,;-3.98,1.3,;-3.82,-.23,;-5.22,-.86,;-5.62,-2.35,;-4.53,-3.44,;-4.93,-4.92,;-6.42,-5.32,;-7.51,-4.23,;-8.99,-4.63,;-7.16,-2.64,;-8.23,-1.54,;-9.31,-.44,;-2.48,-1,;-2.48,-2.54,;-1.15,-3.31,;.19,-2.54,;.19,-1,;-1.15,-.23,;1.52,-.23,;1.52,1.31,;2.85,2.08,;3.01,3.61,;1.93,4.7,;4.52,3.93,;5.29,5.26,;6.83,5.26,;7.6,3.93,;6.83,2.6,;5.29,2.6,;4.26,1.45,;4.66,-.04,;2.85,-1,;2.85,-2.54,;1.52,-3.31,;1.52,-4.85,)|

BDBM579070

COc1ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(c1)C#N |(-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-1.63,-2.15,;-1.23,-.66,;-2.32,.42,;-1.93,1.91,;-.68,2.82,;-1.16,4.28,;-2.7,4.28,;-3.17,2.82,;-4.5,2.05,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,;-3.9,.12,;-4.21,-1.46,;-4.99,1.2,;-6.08,2.29,)|

BDBM579071

CC1(C)OB(OC1(C)C)c1ccc2c(c1)c(CN1C(=O)c3ccccc3C1=O)n[nH]c2=O

BDBM579072

Cn1ncc(c1-c1cc(ccc1C#N)C1CC1)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,1.85,;-3.17,2.62,;-2.7,4.08,;-1.16,4.08,;-.68,2.62,;-1.93,1.71,;-2.32,.23,;-1.23,-.86,;-1.63,-2.35,;-3.12,-2.75,;-4.21,-1.66,;-3.9,-.08,;-4.99,1.01,;-6.08,2.09,;-.54,-3.44,;-.15,-4.93,;.94,-3.84,;.65,1.85,;.65,.31,;1.99,-.46,;3.32,.31,;3.32,1.85,;1.99,2.62,;4.66,2.62,;4.66,4.16,;3.32,4.93,;5.99,1.85,;5.99,.31,;4.66,-.46,;4.66,-2,)|

BDBM579073

Cc1c(Cl)ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CNC(=O)OC(C)(C)C)n[nH]c3=O)c1C#N |(-8.07,-4.73,;-6.58,-4.33,;-5.5,-5.42,;-5.89,-6.91,;-4.01,-5.02,;-3.61,-3.53,;-4.7,-2.44,;-4.3,-.96,;-2.89,-.33,;-3.05,1.2,;-4.56,1.52,;-5.33,.19,;-6.82,-.21,;-1.56,-1.1,;-1.56,-2.64,;-.23,-3.41,;1.11,-2.64,;1.11,-1.1,;-.23,-.33,;2.44,-.33,;2.44,1.21,;3.78,1.98,;3.78,3.52,;2.44,4.29,;5.11,4.29,;5.11,5.83,;5.11,7.37,;6.65,5.83,;3.57,5.83,;3.78,-1.1,;3.78,-2.64,;2.44,-3.41,;2.44,-4.95,;-6.24,-2.74,;-7.31,-1.64,;-8.39,-.53,)|

BDBM579074

COc1ccc(Oc2cncc(c2)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(OC)c1

BDBM579075

Cc1c(Cl)ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CNC(=O)OC(C)(C)C)n[nH]c3=O)c1C#N |(-9.68,7.01,;-8.2,7.41,;-7.11,6.32,;-7.51,4.84,;-5.62,6.72,;-5.22,8.21,;-6.31,9.3,;-5.91,10.79,;-4.51,11.41,;-4.67,12.94,;-6.17,13.26,;-6.94,11.93,;-8.43,11.53,;-3.17,10.64,;-3.17,9.1,;-1.84,8.33,;-.5,9.1,;-.5,10.64,;-1.84,11.41,;.83,11.41,;.83,12.95,;2.16,13.72,;2.16,15.26,;.83,16.03,;3.5,16.03,;3.5,17.57,;3.5,19.11,;5.04,17.57,;1.96,17.57,;2.16,10.64,;2.16,9.1,;.83,8.33,;.83,6.79,;-7.85,9,;-8.92,10.1,;-10,11.21,)|

BDBM579076

NCc1n[nH]c(=O)c2ccc(cc12)-c1cnc2[nH]cc(-c3ccccc3C#N)c2c1

BDBM579077

CCc1cc(Cl)cc(-c2c(cnn2C)-c2ccc3c(c2)c(CNC(=O)OC(C)(C)C)n[nH]c3=O)c1C#N |(-10.51,6.69,;-10.12,8.18,;-8.63,8.58,;-7.54,7.49,;-6.05,7.89,;-4.96,6.8,;-5.65,9.38,;-6.74,10.47,;-6.34,11.95,;-4.94,12.58,;-5.1,14.11,;-6.6,14.43,;-7.37,13.1,;-8.86,12.7,;-3.6,11.81,;-3.6,10.27,;-2.27,9.5,;-.94,10.27,;-.94,11.81,;-2.27,12.58,;.4,12.58,;.4,14.22,;1.82,15.04,;1.82,16.68,;.4,17.5,;3.24,17.5,;3.24,19.13,;3.24,20.77,;4.87,19.13,;1.6,19.13,;1.73,11.81,;1.73,10.27,;.4,9.5,;.4,7.96,;-8.4,10.3,;-9.53,11.48,;-10.67,12.65,)|

BDBM579078

Cn1ncc(c1-c1cc(Cl)c(Cl)cc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,1.5,;-3.17,2.27,;-2.7,3.74,;-1.16,3.74,;-.68,2.27,;-1.93,1.37,;-2.32,-.12,;-1.23,-1.21,;-1.63,-2.7,;-.54,-3.79,;-3.12,-3.1,;-3.52,-4.58,;-4.21,-2.01,;-3.9,-.43,;-4.99,.66,;-6.08,1.75,;.65,1.5,;.65,-.04,;1.99,-.81,;3.32,-.04,;3.32,1.5,;1.99,2.27,;4.66,2.27,;4.66,3.81,;3.32,4.58,;5.99,1.5,;5.99,-.04,;4.66,-.81,;4.66,-2.35,)|

BDBM579079

Cn1ncc(c1-c1ccc(cc1C#N)-c1cnsc1)-c1ccc2c(c1)c(CN1C(=O)c3ccccc3C1=O)n[nH]c2=O |(-8.35,-7.29,;-6.86,-6.89,;-6.09,-5.56,;-4.59,-5.88,;-4.43,-7.41,;-5.83,-8.04,;-6.23,-9.53,;-5.14,-10.61,;-5.54,-12.1,;-7.03,-12.5,;-8.12,-11.41,;-7.44,-10.16,;-8.38,-9.22,;-9.31,-8.27,;-7.43,-13.99,;-8.8,-14.69,;-8.56,-16.21,;-7.04,-16.45,;-6.34,-15.08,;-3.09,-8.18,;-3.09,-9.72,;-1.76,-10.49,;-.43,-9.72,;-.43,-8.18,;-1.76,-7.41,;.91,-7.41,;.91,-5.87,;2.24,-5.1,;2.4,-3.57,;1.31,-2.48,;3.91,-3.25,;4.68,-1.92,;6.22,-1.92,;6.99,-3.25,;6.22,-4.58,;4.68,-4.58,;3.65,-5.73,;4.05,-7.21,;2.24,-8.18,;2.24,-9.72,;.91,-10.49,;.91,-12.03,)|

BDBM579080

Cn1ncc(c1-c1cc(Cl)cc(Cl)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,1.1,;-3.17,1.87,;-2.7,3.34,;-1.16,3.34,;-.68,1.87,;-1.93,.97,;-2.32,-.52,;-1.23,-1.61,;-1.63,-3.1,;-.54,-4.18,;-3.12,-3.49,;-4.21,-2.4,;-5.7,-2.8,;-3.9,-.83,;-4.99,.26,;-6.08,1.35,;.65,1.1,;.65,-.44,;1.99,-1.21,;3.32,-.44,;3.32,1.1,;1.99,1.87,;4.66,1.87,;4.66,3.41,;3.32,4.18,;5.99,1.1,;5.99,-.44,;4.66,-1.21,;4.66,-2.75,)|

BDBM579081

Cn1ncc(c1-c1ccc(Cl)cc1C#N)-c1ccc2c(c1)c(CN1C(=O)c3ccccc3C1=O)n[nH]c2=O |(-8.48,9.48,;-6.99,9.87,;-6.22,11.21,;-4.72,10.89,;-4.56,9.36,;-5.96,8.73,;-6.36,7.24,;-5.27,6.15,;-5.67,4.67,;-7.16,4.27,;-7.56,2.78,;-8.25,5.36,;-7.9,6.95,;-8.97,8.05,;-10.05,9.15,;-3.22,8.59,;-3.22,7.05,;-1.89,6.28,;-.55,7.05,;-.55,8.59,;-1.89,9.36,;.78,9.36,;.78,10.9,;2.11,11.67,;2.27,13.2,;1.18,14.29,;3.78,13.52,;4.55,14.85,;6.09,14.85,;6.86,13.52,;6.09,12.18,;4.55,12.18,;3.52,11.04,;3.92,9.55,;2.11,8.59,;2.11,7.05,;.78,6.28,;.78,4.74,)|

BDBM579082

Cn1ncc(c1-c1cc2cccnc2cc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,2.05,;-3.17,2.82,;-2.7,4.28,;-1.16,4.28,;-.68,2.82,;-1.93,1.91,;-2.32,.42,;-1.23,-.66,;-1.63,-2.15,;-.54,-3.24,;-.94,-4.73,;-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-4.21,-1.46,;-3.81,.03,;-4.9,1.11,;-5.99,2.2,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,)|

BDBM579083

Cn1cc(cn1)-c1ccc(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CNC(=O)OC(C)(C)C)n[nH]c2=O |(.78,-13.54,;-.7,-13.14,;-1.4,-11.77,;-2.92,-12.01,;-3.17,-13.53,;-1.79,-14.23,;-4.01,-10.92,;-5.5,-11.32,;-6.59,-10.23,;-6.24,-8.64,;-7.32,-7.54,;-8.39,-6.44,;-4.7,-8.34,;-3.61,-9.43,;-4.31,-6.86,;-2.9,-6.23,;-3.06,-4.7,;-4.57,-4.38,;-5.34,-5.71,;-6.82,-6.11,;-1.56,-7,;-1.56,-8.54,;-.23,-9.31,;1.1,-8.54,;1.1,-7,;-.23,-6.23,;2.44,-6.23,;2.44,-4.69,;3.77,-3.92,;3.77,-2.38,;2.44,-1.61,;5.1,-1.61,;5.1,-.07,;5.1,1.47,;6.64,-.07,;3.56,-.07,;3.77,-7,;3.77,-8.54,;2.44,-9.31,;2.44,-10.85,)|

BDBM579084

Cn1ncc(c1-c1cc2ncccc2cc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,2.05,;-3.17,2.82,;-2.7,4.28,;-1.16,4.28,;-.68,2.82,;-1.93,1.91,;-2.32,.42,;-1.23,-.66,;-1.63,-2.15,;-.54,-3.24,;-.94,-4.73,;-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-4.21,-1.46,;-3.81,.03,;-4.9,1.11,;-5.99,2.2,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,)|

BDBM579085

Cn1ncc(c1-c1cc(Cl)ccc1C#N)-c1ccc2c(c1)c(CNC(=O)OC(C)(C)C)n[nH]c2=O |(-8.48,6.03,;-6.99,6.42,;-6.22,7.76,;-4.72,7.44,;-4.56,5.91,;-5.96,5.28,;-6.36,3.79,;-5.27,2.7,;-5.67,1.22,;-4.58,.13,;-7.16,.82,;-8.25,1.91,;-7.9,3.5,;-8.97,4.6,;-10.05,5.7,;-3.22,5.14,;-3.22,3.6,;-1.89,2.83,;-.55,3.6,;-.55,5.14,;-1.89,5.91,;.78,5.91,;.78,7.45,;2.11,8.22,;2.11,9.76,;.78,10.53,;3.45,10.53,;3.45,12.07,;3.45,13.61,;4.99,12.07,;1.91,12.07,;2.11,5.14,;2.11,3.6,;.78,2.83,;.78,1.29,)|

BDBM579086

COc1cc(Cl)cc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.04,-4.24,;-5.64,-2.75,;-4.16,-2.35,;-3.07,-3.44,;-1.58,-3.04,;-.49,-4.13,;-1.18,-1.55,;-2.27,-.47,;-1.87,1.02,;-.63,1.93,;-1.1,3.39,;-2.64,3.39,;-3.12,1.93,;-4.45,1.16,;.71,1.16,;.71,-.38,;2.04,-1.15,;3.38,-.38,;3.38,1.16,;2.04,1.93,;4.71,1.93,;4.71,3.47,;3.38,4.24,;6.04,1.16,;6.04,-.38,;4.71,-1.15,;4.71,-2.69,;-3.85,-.77,;-4.94,.31,;-6.03,1.4,)|

BDBM579087

Cn1ncc(c1-c1cc(ccc1C#N)C1CCOC1)-c1ccc2c(c1)c(CNC(=O)OC(C)(C)C)n[nH]c2=O |(-6.82,-6.14,;-5.33,-5.74,;-4.56,-4.41,;-3.06,-4.73,;-2.9,-6.26,;-4.3,-6.88,;-4.7,-8.37,;-3.61,-9.46,;-4.01,-10.95,;-5.5,-11.35,;-6.59,-10.26,;-6.24,-8.67,;-7.31,-7.57,;-8.39,-6.46,;-2.92,-12.04,;-1.4,-11.8,;-.7,-13.17,;-1.79,-14.26,;-3.16,-13.56,;-1.56,-7.03,;-1.56,-8.57,;-.23,-9.34,;1.11,-8.57,;1.11,-7.03,;-.23,-6.26,;2.44,-6.26,;2.44,-4.72,;3.77,-3.95,;3.77,-2.41,;2.44,-1.64,;5.11,-1.64,;5.11,-.1,;5.11,1.44,;6.65,-.1,;3.57,-.1,;3.77,-7.03,;3.77,-8.57,;2.44,-9.34,;2.44,-10.88,)|

BDBM579088

COc1cc(Cl)c(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(.94,-3.79,;-.54,-4.18,;-1.63,-3.1,;-3.12,-3.49,;-4.21,-2.4,;-5.7,-2.8,;-3.9,-.83,;-4.99,.26,;-6.08,1.35,;-2.32,-.52,;-1.23,-1.61,;-1.93,.97,;-.68,1.87,;-1.16,3.34,;-2.7,3.34,;-3.17,1.87,;-4.5,1.1,;.65,1.1,;.65,-.44,;1.99,-1.21,;3.32,-.44,;3.32,1.1,;1.99,1.87,;4.66,1.87,;4.66,3.41,;3.32,4.18,;5.99,1.1,;5.99,-.44,;4.66,-1.21,;4.66,-2.75,)|

BDBM579089

Cn1ncc(c1-c1ccc2c(Cl)cccc2c1C#N)-c1ccc2c(c1)c(CNC(=O)OC(C)(C)C)n[nH]c2=O |(-6.68,7.24,;-5.2,7.64,;-4.43,8.98,;-2.92,8.66,;-2.76,7.12,;-4.17,6.5,;-4.56,5.01,;-3.48,3.92,;-3.87,2.43,;-5.36,2.04,;-5.76,.55,;-4.67,-.54,;-7.25,.15,;-8.34,1.24,;-7.94,2.73,;-6.45,3.12,;-6.1,4.72,;-7.18,5.82,;-8.25,6.93,;-1.43,6.35,;-1.43,4.81,;-.09,4.04,;1.24,4.81,;1.24,6.35,;-.09,7.12,;2.58,7.12,;2.58,8.66,;3.91,9.43,;3.91,10.97,;2.58,11.74,;5.24,11.74,;5.24,13.28,;5.24,14.82,;6.78,13.28,;3.7,13.28,;3.91,6.35,;3.91,4.81,;2.58,4.04,;2.58,2.5,)|

BDBM579090

COc1ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(C#N)c1Cl |(-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-1.63,-2.15,;-1.23,-.66,;-2.32,.42,;-1.93,1.91,;-.68,2.82,;-1.16,4.28,;-2.7,4.28,;-3.17,2.82,;-4.5,2.05,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,;-3.9,.12,;-4.99,1.2,;-6.08,2.29,;-4.21,-1.46,;-5.7,-1.86,)|

BDBM579091

CC(C)(C)OC(=O)NCc1n[nH]c(=O)c2ccc(cc12)B1OC(C)(C)C(C)(C)O1

BDBM579092

CN(C)c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579093

Cc1c(ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CNC(=O)OC(C)(C)C)n[nH]c3=O)c1C#N)-c1cnn(C)c1 |(-8.09,-7,;-6.6,-6.6,;-5.52,-7.69,;-4.03,-7.29,;-3.63,-5.8,;-4.72,-4.71,;-4.32,-3.22,;-2.91,-2.6,;-3.07,-1.07,;-4.58,-.75,;-5.35,-2.08,;-6.84,-2.48,;-1.58,-3.37,;-1.58,-4.91,;-.25,-5.68,;1.09,-4.91,;1.09,-3.37,;-.25,-2.6,;2.42,-2.6,;2.42,-1.26,;3.58,-.59,;3.58,.75,;2.42,1.42,;4.74,1.42,;4.74,2.75,;4.74,4.09,;6.08,2.75,;3.4,2.75,;3.76,-3.37,;3.76,-4.91,;2.42,-5.68,;2.42,-7.22,;-5.95,-5.33,;-6.89,-4.38,;-7.83,-3.43,;-5.91,-9.17,;-4.83,-10.26,;-5.52,-11.64,;-7.05,-11.4,;-8.13,-12.48,;-7.29,-9.87,)|

BDBM579094

CCOc1ccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c(c1)C#N |(-.94,-4.73,;-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-1.63,-2.15,;-1.23,-.66,;-2.32,.42,;-1.93,1.91,;-.68,2.82,;-1.16,4.28,;-2.7,4.28,;-3.17,2.82,;-4.5,2.05,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,;-3.9,.12,;-4.21,-1.46,;-4.99,1.2,;-6.08,2.29,)|

BDBM579095

Cc1cc(cc(-c2c(cnn2C)-c2ccc3c(c2)c(CNC(=O)OC(C)(C)C)n[nH]c3=O)c1C#N)C1CC1 |(-8.15,-11.3,;-6.66,-10.9,;-5.57,-11.99,;-4.08,-11.59,;-3.69,-10.1,;-4.77,-9.02,;-4.38,-7.53,;-2.97,-6.9,;-3.13,-5.37,;-4.64,-5.05,;-5.41,-6.38,;-6.89,-6.78,;-1.64,-7.67,;-1.64,-9.21,;-.3,-9.98,;1.03,-9.21,;1.03,-7.67,;-.3,-6.9,;2.37,-6.9,;2.37,-5.36,;3.7,-4.59,;3.7,-3.05,;2.37,-2.28,;5.03,-2.28,;5.03,-.74,;5.03,.8,;6.57,-.74,;3.49,-.74,;3.7,-7.67,;3.7,-9.21,;2.37,-9.98,;2.37,-11.52,;-6.31,-9.31,;-7.39,-8.21,;-8.46,-7.11,;-3,-12.68,;-2.6,-14.17,;-1.51,-13.08,)|

BDBM579096

Cn1ncc(c1OCc1c(Cl)cccc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM579097

O=C1N(Cc2n[nH]c(=O)c3ccc(cc23)-c2cncc(c2)C2CCCCC2)C(=O)c2ccccc12

BDBM579098

Cn1ncc(c1-c1cccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.91,1.9,;-2.57,2.67,;-2.1,4.14,;-.56,4.14,;-.08,2.67,;-1.33,1.77,;-1.73,.28,;-.64,-.81,;-1.04,-2.3,;-2.52,-2.7,;-3.61,-1.61,;-5.1,-2.01,;-5.5,-3.49,;-6.59,-4.58,;-5.1,-4.98,;-3.3,-.03,;-4.39,1.06,;-5.48,2.15,;1.25,1.9,;1.25,.36,;2.59,-.41,;3.92,.36,;3.92,1.9,;2.59,2.67,;5.25,2.67,;5.25,4.21,;3.92,4.98,;6.59,1.9,;6.59,.36,;5.25,-.41,;5.25,-1.95,)|

BDBM579099

Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.63,-7.18,;5.24,-8.66,;6.32,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.37,-7.32,;8.37,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)|

BDBM579100

CC(C)Oc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.79,-4.09,;-5.3,-3.69,;-4.21,-4.78,;-4.9,-2.21,;-3.41,-1.81,;-2.32,-2.9,;-.84,-2.5,;-.44,-1.01,;-1.53,.08,;-1.13,1.57,;.12,2.47,;-.36,3.94,;-1.9,3.94,;-2.37,2.47,;-3.71,1.7,;1.45,1.7,;1.45,.16,;2.79,-.61,;4.12,.16,;4.12,1.7,;2.79,2.47,;5.45,2.47,;5.45,4.01,;4.12,4.78,;6.79,1.7,;6.79,.16,;5.45,-.61,;5.45,-2.15,;-3.1,-.23,;-4.19,.86,;-5.28,1.95,)|

BDBM579101

Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.64,-7.18,;5.24,-8.66,;6.33,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.38,-7.32,;8.38,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)|

BDBM579102

Cn1ncc(c1-c1cccc(OC2CCC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.78,2.21,;-2.45,2.98,;-1.97,4.44,;-.43,4.44,;.04,2.98,;-1.2,2.07,;-1.6,.59,;-.51,-.5,;-.91,-1.99,;-2.4,-2.39,;-3.49,-1.3,;-4.98,-1.7,;-5.38,-3.19,;-6.71,-3.96,;-5.94,-5.29,;-4.61,-4.52,;-3.18,.28,;-4.27,1.37,;-5.36,2.46,;1.37,2.21,;1.37,.67,;2.71,-.1,;4.04,.67,;4.04,2.21,;2.71,2.98,;5.38,2.98,;5.38,4.52,;4.04,5.29,;6.71,2.21,;6.71,.67,;5.38,-.1,;5.38,-1.64,)|

BDBM579103

Cn1ncc(c1-c1c(Cl)c2ccccc2cc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-8.43,16.58,;-6.94,16.97,;-6.17,18.31,;-4.67,17.99,;-4.51,16.46,;-5.91,15.83,;-6.31,14.34,;-5.22,13.25,;-3.68,13.25,;-5.62,11.77,;-4.53,10.68,;-4.93,9.19,;-6.42,8.79,;-7.51,9.88,;-7.11,11.37,;-8.2,12.46,;-7.85,14.05,;-8.92,15.15,;-10,16.25,;-3.17,15.69,;-3.17,14.15,;-1.84,13.38,;-.51,14.15,;-.51,15.69,;-1.84,16.46,;.83,16.46,;.83,18,;2.16,18.77,;2.16,15.69,;2.16,14.15,;.83,13.38,;.83,11.84,)|

BDBM579105

Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)|

BDBM579825

OC(CNC(=O)N1CCC(C1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579829

CC(=O)N1CCN(CC1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM579833

OC(CNC(=O)N1CCN(CC1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579835

OC(CNC(=O)N1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1

BDBM579836

OC(CNC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579839

OC(CNC(=O)N1CCC(CC1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579856

OC(CNC(=O)N1CCC(CC1)Oc1ccccc1)CN1CCc2ccccc2C1

BDBM579857

OC(CNC(=O)N1CCCC(C1)Oc1ccccc1)CN1CCc2ccccc2C1

BDBM579858

OC(CNC(=O)N1CCc2ccccc2C1)CN1CCc2ccccc2C1

BDBM579859

OC(CNC(=O)N1CCCCc2ccccc12)CN1CCc2ccccc2C1

BDBM579860

OC(CNC(=O)N1CCCc2ccccc2C1)CN1CCc2ccccc2C1

BDBM579861

OC(CNC(=O)N1CCCCC1)CN1CCc2ccccc2C1

BDBM579862

OC(CNC(=O)N1CCCC1)CN1CCc2ccccc2C1

BDBM579863

OC(CNC(=O)N1CCCCCC1)CN1CCc2ccccc2C1

BDBM579864

OC(CNC(=O)N1CCC(CC1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1

BDBM579865

OC(CNC(=O)N1CCCC(C1)Nc1ccncc1)CN1CCc2ccccc2C1

BDBM579866

OC(CNC(=O)N1CCC(Cc2ccccc2)CC1)CN1CCc2ccccc2C1

BDBM579867

OC(CNC(=O)N1CCC(CC1)C(=O)N1C2CCC1COC2)CN1CCc2ccccc2C1

BDBM579868

OC(CNC(=O)N1CCCN(CC1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579869

OC(CNC(=O)N1CCCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1

BDBM579870

OC(CNC(=O)N1CCSCC1)CN1CCc2ccccc2C1

BDBM579871

CN(C)C(=O)C1CN(C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM579872

OC(CNC(=O)N1CC(C1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1

BDBM579873

OC(CNC(=O)N1CC(C1)C(=O)N1C2CCC1COC2)CN1CCc2ccccc2C1

BDBM579874

OC(CNC(=O)N1CCCc2ccccc12)CN1CCc2sccc2C1

BDBM579875

OC(CNC(=O)N1CCCc2ccccc12)CN1CCc2ccsc2C1

BDBM579876

OC(CNC(=O)N1CCc2ccccc2C1)CN1CCc2sccc2C1

BDBM579877

OC(CNC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2sccc2C1

BDBM579878

OC(CNC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2ccsc2C1

BDBM579879

OC(CNC(=O)N1CCC(C1)c1ccccc1)CN1CCc2sccc2C1

BDBM579880

[O-][N+](=O)c1cccc(c1)S(=O)(=O)OCC1CO1 |w:16.17|

BDBM579881

O[C@@H](CNC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579882

O[C@H](CNC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579883

O[C@@H](CNC(=O)N1CCCc2ccccc12)CN1CCc2ccccc2C1 |r|

BDBM579884

O[C@H](CNC(=O)N1CCCc2ccccc12)CN1CCc2ccccc2C1 |r|

BDBM579885

O[C@@H](CNC(=O)N1CCc2ccccc2C1)CN1CCc2ccccc2C1 |r|

BDBM579886

O[C@H](CNC(=O)N1CCc2ccccc2C1)CN1CCc2ccccc2C1 |r|

BDBM579887

O[C@@H](CNC(=O)N1CCC[C@H](C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579888

O[C@@H](CNC(=O)N1CCC[C@@H](C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579889

CC(=O)N1CCCN(CC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579890

CS(=O)(=O)N1CCCN(CC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579891

O[C@@H](CNC(=O)N1CCCN(CC1)C(=O)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579892

COC(=O)N1CCCN(CC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579893

O[C@@H](CNC(=O)N1CCCSCC1)CN1CCc2ccccc2C1 |r|

BDBM579894

O[C@@H](CNC(=O)N1CCCS(=O)CC1)CN1CCc2ccccc2C1 |r|

BDBM579895

O[C@@H](CNC(=O)N1CCCS(=O)(=O)CC1)CN1CCc2ccccc2C1 |r|

BDBM579896

O[C@@H](CNC(=O)N1CCCN(CC1)C(=O)c1cccs1)CN1CCc2ccccc2C1 |r|

BDBM579897

CN(C)C(=O)C1CCN(CC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579898

O[C@@H](CNC(=O)N1CCC(CC1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1 |r|

BDBM579899

O[C@@H](CNC(=O)N1CCC(CC1)C(=O)N1C2CCC1COC2)CN1CCc2ccccc2C1 |r|

BDBM579900

O[C@@H](CNC(=O)N1CCC(C1)c1ccccn1)CN1CCc2ccccc2C1 |r|

BDBM579901

CC(=O)N1CCCN(CC1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|

BDBM579902

COC(=O)N1CCCN(CC1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|

BDBM579903

CS(=O)(=O)N1CCCN(CC1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|

BDBM579904

O[C@H](CNC(=O)N1CCC(CC1)C(=O)N1C2CCC1COC2)CN1CCc2ccccc2C1 |r|

BDBM579905

O[C@@H](CNC(=O)N1CCC(F)(F)CC1)CN1CCc2ccccc2C1 |r|

BDBM579906

CC1(O)CCN(CC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579907

O[C@@H](CNC(=O)N1CCCC(O)(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579908

O[C@@H](CNC(=O)N1CCC(O)(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579909

O[C@@H](CNC(=O)N1CCSC(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579910

O[C@@H](CNC(=O)N1CCCC(C1)n1cccn1)CN1CCc2ccccc2C1 |r|

BDBM579911

O[C@@H](CNC(=O)N1CCCC(C1)n1ccnc1)CN1CCc2ccccc2C1 |r|

BDBM579912

O[C@@H](CNC(=O)N1CCCN(CC1)S(=O)(=O)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579913

O[C@@H](CNC(=O)N1CCCSC(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579914

O[C@@H](CNC(=O)N1CCCS(=O)(=O)C(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579915

O[C@@H](CNC(=O)N1CCCOCC1)CN1CCc2ccccc2C1 |r|

BDBM579916

O[C@@H](CNC(=O)N1CCCC(C1)c1ccccn1)CN1CCc2ccccc2C1 |r|

BDBM579917

Cn1cc(ccc1=O)C1CCCN(C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579918

O[C@@H](CNC(=O)N1CCCC(C1)c1cnccn1)CN1CCc2ccccc2C1 |r|

BDBM579919

Cc1cc(ccn1)C1CCCN(C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579920

O[C@@H](CNC(=O)N1CCCC(C1)c1ccc(F)cc1)CN1CCc2ccccc2C1 |r|

BDBM579921

O[C@@H](CNC(=O)N1CCCC(C1)c1cccnc1)CN1CCc2ccccc2C1 |r|

BDBM579922

O[C@@H](CNC(=O)N1CCCC(C1)N1CCOCC1)CN1CCc2ccccc2C1 |r|

BDBM579923

O[C@@H](CNC(=O)N1CCCC(C1)N1CCSCC1)CN1CCc2ccccc2C1 |r|

BDBM579924

CN1CCN(CC1)C1CCCN(C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579925

O[C@@H](CNC(=O)N1CCCC(C1)C1CCOCC1)CN1CCc2ccccc2C1 |r|

BDBM579926

O[C@@H](CNC(=O)N1CCCC(C1)C1CCSCC1)CN1CCc2ccccc2C1 |r|

BDBM579927

O[C@@H](CNC(=O)N1CCCC(C1)N1CCCSCC1)CN1CCc2ccccc2C1 |r|

BDBM579928

O[C@@H](CNC(=O)N1CCCC(C1)N1CCCOCC1)CN1CCc2ccccc2C1 |r|

BDBM579929

O[C@@H](CNC(=O)N1CCC(C1)N1CCOCC1)CN1CCc2ccccc2C1 |r|

BDBM579930

O[C@@H](CNC(=O)N1CCC(C1)N1CCSCC1)CN1CCc2ccccc2C1 |r|

BDBM579931

O[C@@H](CNC(=O)N1CCC(C1)N1CCCSCC1)CN1CCc2ccccc2C1 |r|

BDBM579932

O[C@@H](CNC(=O)N1CCS(=O)(=O)C(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579933

O[C@@H](CNC(=O)N1CCCC(C1)N1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1 |r|

BDBM579934

O[C@@H](CNC(=O)N1CC[C@H](C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579935

O[C@@H](CNC(=O)N1CC[C@@H](C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579936

OC(CNC(=O)N1CCCC(O)C1)CN1CCc2ccccc2C1

BDBM579937

CN1CCCN(CC1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM579938

CC(=O)N1CCCN(CC1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM579939

OC(CNC(=O)N1CCCC(CC1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579940

OC(CNC(=O)N1CCCCC(C1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579941

OC(CNC(=O)N1CCCc2ccccc12)CN1CCc2ccccc2C1

BDBM579942

OC(CNC(=O)N1CCc2ccccc12)CN1CCc2ccccc2C1

BDBM579943

OC(COC(=O)N1CCc2ccccc2C1)CN1CCc2ccccc2C1

BDBM579944

OC(COC(=O)N1CCCCC1)CN1CCc2ccccc2C1

BDBM579945

OC(COC(=O)N1CCCC1)CN1CCc2ccccc2C1

BDBM579946

OC(COC(=O)N1CCC(C1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579947

OC(COC(=O)N1CCSCC1)CN1CCc2ccccc2C1

BDBM579948

OC(COC(=O)N1CCC(CC1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1

BDBM579949

OC(COC(=O)N1CCCC(C1)Nc1ccncc1)CN1CCc2ccccc2C1

BDBM579950

OC(COC(=O)N1CCC(Cc2ccccc2)CC1)CN1CCc2ccccc2C1

BDBM579951

O[C@@H](COC(=O)N1CCC(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579952

O[C@H](COC(=O)N1CCC(C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579953

O[C@@H](COC(=O)N1CCc2ccccc2C1)CN1CCc2ccccc2C1 |r|

BDBM579954

O[C@H](COC(=O)N1CCc2ccccc2C1)CN1CCc2ccccc2C1 |r|

BDBM579955

OC(COC(=O)N1CCCC(O)C1)CN1CCc2ccccc2C1

BDBM579956

CN1CCCN(CC1)C(=O)OCC(O)CN1CCc2ccccc2C1

BDBM579957

O[C@@H](COC(=O)N1CC[C@H](C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579958

O[C@@H](COC(=O)N1CC[C@@H](C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579959

OC(COC(=O)N1CCS(=O)CC1)CN1CCc2ccccc2C1

BDBM579960

OC(COC(=O)N1CCS(=O)(=O)CC1)CN1CCc2ccccc2C1

BDBM579961

CN(C)C(=O)C1CCN(CC1)C(=O)OC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM579962

O[C@@H](COC(=O)N1CCC(CC1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1 |r|

BDBM579963

O[C@@H](COC(=O)N1CCC(CC1)C(=O)N1C2CCC1COC2)CN1CCc2ccccc2C1 |r|

BDBM579964

O[C@@H](COC(=O)N1CCC(C1)c1ccccn1)CN1CCc2ccccc2C1 |r|

BDBM579965

CN(C)C(=O)C1CN(C1)C(=O)OCC(O)CN1CCc2ccccc2C1

BDBM579966

OC(COC(=O)N1CC(C1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1

BDBM579967

OC(COC(=O)N1CC(C1)C(=O)N1C2CCC1COC2)CN1CCc2ccccc2C1

BDBM579968

CC(=O)N1CCCN(CC1)C(=O)OCC(O)CN1CCc2ccccc2C1

BDBM579969

COC(=O)N1CCCN(CC1)C(=O)OCC(O)CN1CCc2ccccc2C1

BDBM579970

O[C@H](COC(=O)N1CCC(CC1)C(=O)N1C2CCC1COC2)CN1CCc2ccccc2C1 |r|

BDBM579971

OC(COC(=O)N1CCCc2ccccc12)CN1CCc2sccc2C1

BDBM579972

OC(COC(=O)N1CCCc2ccccc12)CN1CCc2ccsc2C1

BDBM579973

OC(COC(=O)N1CCc2ccccc2C1)CN1CCc2sccc2C1

BDBM579974

OC(COC(=O)N1CCc2ccccc2C1)CN1CCc2ccsc2C1

BDBM579975

OC(COC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2sccc2C1

BDBM579976

OC(COC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2ccsc2C1

BDBM579977

OC(COC(=O)N1CCC(C1)c1ccccc1)CN1CCc2sccc2C1

BDBM579978

OC(COC(=O)N1CCC(C1)c1ccccc1)CN1CCc2ccsc2C1

BDBM579979

OC(COC(=O)N1CCCc2ccccc12)CN1CCc2ccccc2C1

BDBM579980

OC(COC(=O)N1CCCC(C1)c1ccccc1)CN1CCc2ccccc2C1

BDBM579983

O[C@@H](CNC(=O)N1CCS[C@H](C1)c1ccccc1)CN1CCc2ccccc2C1 |r|

BDBM579985

O[C@@H](CNC(=O)N1CCC[C@H](C1)c1ccccn1)CN1CCc2ccccc2C1 |r|

BDBM579987

O[C@@H](CNC(=O)N1CCC[C@H](C1)C1CCOCC1)CN1CCc2ccccc2C1 |r|

BDBM579989

O=C(NCCCN1CCc2ccccc2C1)N1CCC(C1)c1ccccc1

BDBM579990

O=C(NCCCN1CCc2ccccc2C1)N1CCCC(C1)c1ccccc1

BDBM579991

O=C(OCCCN1CCc2ccccc2C1)N1CCC(C1)c1ccccc1

BDBM581013

Cc1cc2c(cc1-c1cncc(c1)C#N)c(CN)n[nH]c2=O

BDBM581185

CCc1cc(Cl)cc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.39,-1.71,;-5.3,-2.8,;-3.81,-2.4,;-2.72,-3.49,;-1.23,-3.1,;-.15,-4.18,;-.84,-1.61,;-1.93,-.52,;-1.53,.97,;-.28,1.87,;-.76,3.34,;-2.3,3.34,;-2.77,1.87,;-4.11,1.1,;1.05,1.1,;1.05,-.44,;2.39,-1.21,;3.72,-.44,;3.72,1.1,;2.39,1.87,;5.05,1.87,;5.05,3.41,;3.72,4.18,;6.39,1.1,;6.39,-.44,;5.05,-1.21,;5.05,-2.75,;-3.5,-.83,;-4.59,.26,;-5.68,1.35,)|

BDBM581201

Cn1ncc(c1-c1ccc(Cl)c(Cl)c1)-c1ccc2c(c1)c(CN)n[nH]c2=O

BDBM584221

C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)c1ccc2CCc2c1 |r|

BDBM584222

Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584223

Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584224

Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc2CCc2c1 |r|

BDBM584225

Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584226

Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCOc3c2)[C@@H](O)[C@H]1O |r|

BDBM584227

CO\N=c1/[nH]cnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584228

CCO\N=c1/[nH]cnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584229

CCO\N=c1/[nH]cnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc2CCc2c1 |r|

BDBM584230

CN(C)C(=O)Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584231

COc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584232

Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584233

Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584234

Nc1ncnc2n(cc(c12)C(F)(F)F)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584235

C[C@@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)c1ccc2CCc2c1 |r|

BDBM584236

CC(=C)c1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584237

CC(C)c1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584238

CCCCc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584239

OCc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584241

Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584242

O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C=C)ncnc12)c1ccc2CCc2c1 |r|

BDBM584243

Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584244

COCCc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584245

O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(CF)ncnc12)c1ccc2CCc2c1 |r|

BDBM584246

CCOCc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584247

O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(CCl)ncnc12)c1ccc2CCc2c1 |r|

BDBM584248

Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2nc3CCCc3s2)[C@@H](O)[C@H]1O |r|

BDBM584249

OCCc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584250

CNc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3CCc3c2)[C@@H](O)[C@H]1O |r|

BDBM584251

O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(CCOCc3ccccc3)ncnc12)c1ccc2CCc2c1 |r|

BDBM584252

O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(Cl)ncnc12)c1ccc2CCc2c1 |r|

BDBM394693

O[C@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1 |r|

BDBM595581

OC(CN1CCc2ccccc2C1)CN1CCc2ccc(NC3COC3)cc2C1=O

BDBM595582

CC(=O)N1CCC(CC1)Nc1cc(F)c2OCCN(C[C@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595583

CC(=O)N1CCC(CC1)Nc1cc(F)c2OCCN(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595584

OC(CN1CCc2ccccc2C1)Cn1cnc2ccc(NC3COC3)cc2c1=O

BDBM595585

OC(CN1CCc2ccccc2C1)Cn1ccc2ccc(NC3COC3)cc2c1=O

BDBM595586

OC(CN1CCc2ccccc2C1)CN1CCOc2ccc(NC3COC3)cc2C1=O

BDBM595587

CC(=O)N1CC(C1)Nc1ccc2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)c2c1

BDBM595588

OC(CN1CCc2ccccc2C1)CN1CCc2ccc(NC3CCC3)cc2C1=O

BDBM595589

CS(=O)(=O)N1CC(C1)Nc1ccc2CCN(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595590

CN1CC(C1)Nc1ccc2CCN(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595591

O[C@@H](CN1CCc2ccccc2C1)CN1CCc2ccc(N[C@H]3CCOC3)cc2C1=O |r|

BDBM595592

O[C@@H](CN1CCc2ccccc2C1)CN1CCc2ccc(N[C@@H]3CCOC3)cc2C1=O |r|

BDBM595593

Cn1cc(Nc2ccc3CCN(CC(O)CN4CCc5ccccc5C4)C(=O)c3c2)cn1

BDBM595594

Cn1cc(Nc2ccc3CCN(C[C@H](O)CN4CCc5ccccc5C4)C(=O)c3c2)cn1 |r|

BDBM595595

Cn1cc(Nc2ccc3CCN(C[C@@H](O)CN4CCc5ccccc5C4)C(=O)c3c2)cn1 |r|

BDBM595596

Cn1cc(cn1)-c1ccc2CCN(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595597

OC(CN1CCc2ccccc2C1)CN1CCc2ccc(cc2C1=O)-c1cncnc1

BDBM595598

CC1(C)CN(CC(O)CN2CCc3ccccc3C2)C(=O)c2cc(NC3COC3)ccc12

BDBM595599

OC(CN1CCc2ccccc2C1)CN1CCc2ncc(NC3COC3)cc2C1=O

BDBM595600

CC(=O)N1CCC(CC1)Nc1cc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cc1F |r|

BDBM595601

CC(=O)N1CCC(CC1)Nc1cc2c(OCCN(C[C@@H](O)CN3CCc4ccccc4C3)C2=O)cc1F |r|

BDBM595602

OC(CN1CCc2ccccc2C1)CN1CCc2ncc(NC3CCOCC3)cc2C1=O

BDBM595603

CC(=O)N1CCC(CC1)Nc1cnc2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)c2c1

BDBM595604

Cn1cc(Nc2cnc3CCN(CC(O)CN4CCc5ccccc5C4)C(=O)c3c2)cn1

BDBM595605

CC1Cc2ccc(NC3COC3)cc2C(=O)N1CC(O)CN1CCc2ccccc2C1

BDBM595606

OC(CN1CCc2ccccc2C1)CN1CCc2ccc(Nc3cnn(c3)C3COC3)cc2C1=O

BDBM595607

Cn1ccc(Nc2ccc3CCN(CC(O)CN4CCc5ccccc5C4)C(=O)c3c2)n1

BDBM595608

CC(=O)N1CCC(CC1)Nc1ccc2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)c2c1

BDBM595609

CC(=O)N1CCC(CC1)Nc1ccc2CCN(C[C@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595610

CC(=O)N1CCC(CC1)Nc1ccc2CCN(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595611

OC(CN1CCc2ccccc2C1)CN1CCc2ccc(Nc3cnn(c3)C3CCOCC3)cc2C1=O

BDBM595612

Cn1cc(Nc2cc3C(=O)N(CC(O)CN4CCc5ccccc5C4)CCc3cc2Cl)cn1

BDBM595613

Cn1ccc(Nc2ccc3CCN(CC(O)CN4CCc5ccccc5C4)C(=O)c3c2)cc1=O

BDBM595614

OC(CN1CCc2ccccc2C1)CN1CCc2ccc(Nc3ccnnc3)cc2C1=O

BDBM595615

O[C@H](CN1CCc2ccccc2C1)CN1CCc2ccc(Nc3ccnnc3)cc2C1=O |r|

BDBM595616

O[C@@H](CN1CCc2ccccc2C1)CN1CCc2ccc(Nc3ccnnc3)cc2C1=O |r|

BDBM595617

Cn1cc(Nc2ccc3OCCN(CC(O)CN4CCc5ccccc5C4)C(=O)c3c2)cn1

BDBM595618

Cn1cc(Nc2ccc3OCCN(C[C@H](O)CN4CCc5ccccc5C4)C(=O)c3c2)cn1 |r|

BDBM595619

Cn1cc(Nc2ccc3OCCN(C[C@@H](O)CN4CCc5ccccc5C4)C(=O)c3c2)cn1 |r|

BDBM595620

OC(CN1CCc2ccccc2C1)CN1CCOc2ccc(Nc3ccnnc3)cc2C1=O

BDBM595621

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2ccc(Nc3ccnnc3)cc2C1=O |r|

BDBM595622

O[C@@H](CN1CCc2ccccc2C1)CN1CCOc2ccc(Nc3ccnnc3)cc2C1=O |r|

BDBM595623

OC(CN1CCc2ccccc2C1)Cn1cnc2ccc(Nc3ccnnc3)cc2c1=O

BDBM595624

OC(CN1CCc2ccccc2C1)Cn1ccc2ccc(Nc3ccnnc3)cc2c1=O

BDBM595625

OC(CN1CCc2ccccc2C1)Cn1ncc2ccc(Nc3ccnnc3)cc2c1=O

BDBM595626

CC1(C)CN(CC(O)CN2CCc3ccccc3C2)C(=O)c2cc(Nc3ccnnc3)ccc12

BDBM595627

OC(CN1CCc2ccccc2C1)CN1CC2(CC2)c2ccc(Nc3ccnnc3)cc2C1=O

BDBM595628

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2ccc(Nc3cncnc3)cc2C1=O |r|

BDBM595629

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2ccc(Nc3ccncn3)cc2C1=O |r|

BDBM595630

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2ccc(Nc3cnccn3)cc2C1=O |r|

BDBM595631

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2ccc(Nc3cccnn3)cc2C1=O |r|

BDBM595632

Cn1ccc(Nc2ccc3OCCN(C[C@H](O)CN4CCc5ccccc5C4)C(=O)c3c2)cc1=O |r|

BDBM595633

Cn1nccc1Nc1ccc2OCCN(C[C@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595634

Cc1nnc(Nc2ccc3OCCN(C[C@H](O)CN4CCc5ccccc5C4)C(=O)c3c2)o1 |r|

BDBM595635

CN1CC(CC1=O)Nc1ccc2OCCN(C[C@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595636

CN1c2ccc(Nc3ccnnc3)cc2C(=O)N(CC(O)CN2CCc3ccccc3C2)CC1=O

BDBM595637

CN1CCN(CC(O)CN2CCc3ccccc3C2)C(=O)c2cc(Nc3ccnnc3)ccc12

BDBM595638

CC(=O)N1CCC(CC1)Nc1ccc2OCCN(CC(O)CN3CCc4ccccc4C3)C(=O)c2c1F

BDBM595639

OC(CN1CCc2ccccc2C1)CN1CCOc2ncc(Nc3ccnnc3)cc2C1=O

BDBM595640

OC(CN1CCc2ccccc2C1)CN1CCOc2cnc(Nc3ccnnc3)cc2C1=O

BDBM595641

OC(CN1CCc2ccccc2C1)CN1CCOc2ccc(Nc3ccnnc3)nc2C1=O

BDBM595642

OC(CN1CCc2ccccc2C1)CN1CCOc2cc(F)c(Nc3ccnnc3)cc2C1=O

BDBM595643

OC(CN1CCc2ccccc2C1)CN1CCOc2c(F)cc(Nc3ccnnc3)cc2C1=O

BDBM595644

CC(=O)N1CCC(CC1)Nc1ccc2OCCN(C[C@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595645

CC(=O)N1CCC(CC1)Nc1ccc2OCCN(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r|

BDBM595646

CC(=O)N1CC2(CC(C2)Nc2ccc3OCCN(CC(O)CN4CCc5ccccc5C4)C(=O)c3c2)C1

BDBM595647

CC(=O)N1C2CCC1CC(C2)Nc1ccc2OCCN(CC(O)CN3CCc4ccccc4C3)C(=O)c2c1

BDBM595648

CC(=O)N1CC2C(C1)C2Nc1ccc2OCCN(CC(O)CN3CCc4ccccc4C3)C(=O)c2c1

BDBM595649

CC(=O)N1CCC(CC1)Nc1ccc2C3CC(C3)N(C[C@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r,wU:20.22,(-12.04,-1.5,;-10.71,-2.27,;-10.71,-3.81,;-9.37,-1.5,;-9.37,.04,;-8.04,.81,;-6.7,.04,;-6.7,-1.5,;-8.04,-2.27,;-5.37,.81,;-4.04,.04,;-4.04,-1.5,;-2.7,-2.27,;-1.37,-1.5,;-.17,-2.46,;1.34,-2.12,;2,-.73,;.31,-.88,;1.34,.65,;2.42,1.74,;3.91,1.34,;4.31,-.14,;5,2.43,;6.49,2.03,;6.89,.55,;8.37,.15,;9.46,1.24,;10.95,.84,;12.04,1.93,;11.64,3.42,;10.15,3.81,;9.06,2.72,;7.58,3.12,;-.17,1,;-.56,2.48,;-1.37,.04,;-2.7,.81,)|

BDBM595650

CC(=O)N1CCC(CC1)Nc1ccc2C3CC(C3)N(C[C@@H](O)CN3CCc4ccccc4C3)C(=O)c2c1 |r,wD:20.22,(-12.04,-1.5,;-10.71,-2.27,;-10.71,-3.81,;-9.37,-1.5,;-9.37,.04,;-8.04,.81,;-6.7,.04,;-6.7,-1.5,;-8.04,-2.27,;-5.37,.81,;-4.04,.04,;-4.04,-1.5,;-2.7,-2.27,;-1.37,-1.5,;-.17,-2.46,;1.34,-2.12,;2,-.73,;.31,-.88,;1.34,.65,;2.42,1.74,;3.91,1.34,;4.31,-.14,;5,2.43,;6.49,2.03,;6.89,.55,;8.37,.15,;9.46,1.24,;10.95,.84,;12.04,1.93,;11.64,3.42,;10.15,3.81,;9.06,2.72,;7.58,3.12,;-.17,1,;-.56,2.48,;-1.37,.04,;-2.7,.81,)|

BDBM612738

COc1ccc2c(OCCN(CC(O)CN3CCc4ccccc4C3)C2=O)c1

BDBM515507

COc1ccc2c(CCCN(CC(O)CN3CCc4ccccc4C3)C2=O)c1

BDBM517861

OC(CN1CCc2ccccc2C1)CN1CCCc2cc(OC(F)(F)F)ccc2C1=O

BDBM517862

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(F)(F)F |r|

BDBM517863

O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(OC(F)(F)F)ccc2C1=O |r|

BDBM517864

CCOc1ccc2c(CCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517865

O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(O)ccc2C1=O |r|

BDBM517866

O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(ccc2C1=O)C#N |r|

BDBM517867

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(Br)ccc2C1=O |r|

BDBM517868

CCCc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517869

CC(C)Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517870

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CCC(F)(F)F)ccc2C1=O |r|

BDBM517871

CC(C)(C)OC(=O)N1CCC(=CC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,c:10|

BDBM517874

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C1=CCNCC1 |r,t:30|

BDBM517875

CC(=O)N1CCC(=CC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,c:6|

BDBM517877

CCN1CCC(=CC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,c:5|

BDBM517878

CC(C)N1CCC(=CC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,c:6|

BDBM517879

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C1=CCOCC1 |r,t:30|

BDBM517880

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C1CCOCC1 |r|

BDBM517881

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCOCC3)ccc2C1=O |r|

BDBM517882

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCCC3)ccc2C1=O |r|

BDBM517883

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCC3)ccc2C1=O |r|

BDBM517884

CN(C)Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517885

CCN(CC)Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517886

CC1CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|

BDBM517887

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CC4(COC4)C3)ccc2C1=O |r|

BDBM517888

COC1CN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517889

CC1CN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CCO1 |r|

BDBM517890

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(F)(F)CC3)ccc2C1=O |r|

BDBM517891

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(F)CC3)ccc2C1=O |r|

BDBM517892

CC1CC(C)CN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517893

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CC4CCCC4C3)ccc2C1=O |r|

BDBM517894

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(O)C3)ccc2C1=O |r|

BDBM517895

C[C@@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517896

OCC1CCCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517897

COC1CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|

BDBM517898

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCOCC3)ccc2C1=O |r|

BDBM517899

CC1(O)CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517900

OCC1CCCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517901

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCC(F)(F)C3)ccc2C1=O |r|

BDBM517902

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCC(F)C3)ccc2C1=O |r|

BDBM517903

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCC(O)C3)ccc2C1=O |r|

BDBM517904

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(O)CC3)ccc2C1=O |r|

BDBM517905

OC[C@@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517906

OC[C@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517907

CCC1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517908

COC[C@@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517909

COC[C@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517910

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(F)C3)ccc2C1=O |r|

BDBM517911

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(F)(F)C3)ccc2C1=O |r|

BDBM517912

CC(=O)N1CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|

BDBM517913

CN1CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|

BDBM517914

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CC4CC3CO4)ccc2C1=O |r|

BDBM517915

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3cccnc3)ccc2C1=O |r|

BDBM517916

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccncc3)ccc2C1=O |r|

BDBM517917

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccnc(F)c3)ccc2C1=O |r|

BDBM517918

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3cc(Cl)nc(Cl)c3)ccc2C1=O |r|

BDBM517919

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccnc(F)c3F)ccc2C1=O |r|

BDBM517920

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccc(F)nc3)ccc2C1=O |r|

BDBM517921

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccncc3F)ccc2C1=O |r|

BDBM517922

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccc(F)cn3)ccc2C1=O |r|

BDBM517923

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCOCC3)ccc2C1=O |r|

BDBM517924

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCC3CCCCO3)ccc2C1=O |r|

BDBM517925

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCC3CCCCC3)ccc2C1=O |r|

BDBM517926

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCC3CCCO3)ccc2C1=O |r|

BDBM517927

CN1CCCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517928

CCN1CCCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517929

CC(=O)N1CCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|

BDBM517930

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCC(F)(F)F)ccc2C1=O |r|

BDBM517931

CN(C)CCOc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517932

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCCN3CCOCC3)ccc2C1=O |r|

BDBM517933

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCCN3CCCC3=O)ccc2C1=O |r|

BDBM517934

CCN(CC)C(=O)COc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517935

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCC(=O)NC3)ccc2C1=O |r|

BDBM517936

CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517937

CC(=O)N1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517938

CC(=O)N1CCCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517939

CC(=O)N1CCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517940

CC(=O)N1CC[C@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517941

CC(=O)N1CC[C@@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517942

CC(=O)N1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517943

CCC(=O)N1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517944

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CN(C3)C(=O)C3CC3)ccc2C1=O |r|

BDBM517945

COC(=O)N1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517946

CN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517947

CCN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517948

CC(C)N1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517949

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C3CC3)ccc2C1=O |r|

BDBM517950

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C3CCC3)ccc2C1=O |r|

BDBM517951

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C3COC3)ccc2C1=O |r|

BDBM517952

CN1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517953

CCN1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517954

CC(C)N1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517955

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CN(C3)C3COC3)ccc2C1=O |r|

BDBM517956

CCN1CC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517957

CN1CCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517958

CCN1CC[C@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517959

CC(C)N1CCC[C@H]1COc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517960

CN1CCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|

BDBM517961

CCN1CCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|

BDBM517962

CN1CCOC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517963

CCN1CCOC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517964

CN1CCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517965

CN1CCCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM517966

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCOCC3)cc(F)c2C1=O |r|

BDBM517967

CN1CCC(CC1)Oc1cc(F)c2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517968

CCN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517969

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCOCC3)cc2O1 |r|

BDBM517970

CN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517971

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OCc3ccncc3)cc2O1 |r|

BDBM517972

CC(=O)N1CC(C1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM517973

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCOCC3)cc12 |r|

BDBM517974

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CCC(F)(F)F)cc12 |r|

BDBM517975

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CC3CCCCC3)cc12 |r|

BDBM517976

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc12)C1=CCCCC1 |r,t:31|

BDBM517977

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc12)C1=CCC(CC1)C(F)(F)F |r,t:31|

BDBM517978

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc12)C1=CCN(CC1)C(=O)OC(C)(C)C |r,t:31|

BDBM517979

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C(C)=O)cc12 |r|

BDBM517981

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CN(C3)C(C)=O)cc12 |r|

BDBM517982

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(O[C@@H]3CCN(C3)C(C)=O)cc12 |r|

BDBM517983

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(O[C@H]3CCN(C3)C(C)=O)cc12 |r|

BDBM517984

CN1CCC(CC1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|

BDBM517985

CCN1CCC(CC1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|

BDBM517986

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C3CCC3)cc12 |r|

BDBM517987

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C3CCOC3)cc12 |r|

BDBM517988

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C3COC3)cc12 |r|

BDBM517989

CN1CCCC(C1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|

BDBM517990

CN1CCC(COc2ccc3c(c2)N(C)CCN(C[C@H](O)CN2CCc4ccccc4C2)C3=O)C1 |r|

BDBM517991

CN1CCC(C1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|

BDBM517992

CN1CCCC(COc2ccc3c(c2)N(C)CCN(C[C@H](O)CN2CCc4ccccc4C2)C3=O)C1 |r|

BDBM517993

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OCc3ccncc3F)cc12 |r|

BDBM517994

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCNCC3F)cc12 |r|

BDBM517995

CCN1CCC(Oc2ccc3c(c2)N(C)CCN(C[C@H](O)CN2CCc4ccccc4C2)C3=O)C(F)C1 |r|

BDBM517996

CCN1C2CCC1CC(C2)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|

BDBM517997

CC1CC(CCN1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|

BDBM517998

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OCc3ccc(F)cn3)cc12 |r|

BDBM517999

CC1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCNCC3)cc2O1 |r|

BDBM518000

CC1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(C)CC3)cc2O1 |r|

BDBM518001

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CN(C3)C(C)=O)cc2O1 |r|

BDBM518002

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(C)CC3)cc2O1 |r|

BDBM518003

CC1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(C)CC3)nc2O1 |r|

BDBM518004

CN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|

BDBM518005

C[C@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(C)CC3)cc2O1 |r|

BDBM518006

OC(CN1CCc2ccccc2C1)CN1CCOc2ccccc2C1=O

BDBM613259

OC(CN1CCc2ccccc2C1)CN1CCCc2ccccc2C1=O

BDBM518008

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2ccccc2C1=O |r|

BDBM518009

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(F)ccc2C1=O |r|

BDBM518011

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cnccc2C1=O |r|

BDBM518012

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2nc(Cl)ccc2C1=O |r|

BDBM518013

O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(Cl)ccc2C1=O |r|

BDBM518014

O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(Br)ccc2C1=O |r|

BDBM518015

CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(Br)cc12 |r|

BDBM518016

CCN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(Br)cc12 |r|

BDBM613269

CCN1c2cc(Br)ccc2C(=O)N(C[C@H](O)CN2CCc3ccccc3C2)CC1=O |r|

BDBM518018

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC#N)CC3)ccc2C1=O |r|

BDBM518019

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C(=O)C(F)F)ccc2C1=O |r|

BDBM518020

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CN(C3)C(=O)C(F)F)ccc2C1=O |r|

BDBM518021

OCCN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518022

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CCF)CC3)ccc2C1=O |r|

BDBM518023

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2nc(OC3CCN(CCF)CC3)ccc2C1=O |r|

BDBM518024

CC1(CN2CCC(CC2)Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)COC1 |r|

BDBM518025

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C#N)ccc2C1=O |r|

BDBM518027

CC(=O)N1CCN(Cc2ccc3c(OC(C)(C)CN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|

BDBM518028

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CN(C3)C=O)cc2O1 |r|

BDBM518029

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCN(CC3)C=O)cc2O1 |r|

BDBM518030

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CC4(COC4)C3)cc2O1 |r|

BDBM518031

CCN1C2CCC1CC(C2)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518032

CCN1CC2(CC(C2)Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM518033

CC(=O)N1C2CCC1CC(C2)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518034

CC(=O)N1CC2(CC(C2)Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|

BDBM518035

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCCC1 |r|

BDBM518036

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCCCC1 |r|

BDBM518037

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCC(F)(F)C1 |r|

BDBM518038

CN1CCN(CC1)C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518039

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCCC3)cc2O1 |r|

BDBM518040

CC(=O)N1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518041

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C=O)cc2O1 |r|

BDBM518043

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCN(CC3)C3COC3)cc2O1 |r|

BDBM518044

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCC4(COC4)C3)cc2O1 |r|

BDBM518045

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCC(F)CC1 |r|

BDBM518046

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCCC(C1)C(F)(F)F |r|

BDBM518047

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCC(CC1)C(F)(F)F |r|

BDBM518048

CC1CN(CC(C)O1)C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518049

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CC2CCC1C2 |r|

BDBM518050

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1C2CCC1COC2 |r|

BDBM518051

CC1CN(CCO1)C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518052

CC1COCCN1C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518053

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCOCC3)nc2O1 |r|

BDBM518054

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CC2CCCC2C1 |r|

BDBM518055

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCCC(F)C1 |r|

BDBM518056

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCOC(F)(F)C1 |r|

BDBM518057

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCC(F)(F)CC1 |r|

BDBM518058

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCCCC3)nc2O1 |r|

BDBM613309

CN(C1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1)C(=O)OC(C)(C)C |r,wD:19.20,(-.11,16.11,;-1.63,16.34,;-2.59,15.13,;-2.03,13.7,;-2.99,12.49,;-4.51,12.72,;-5.07,14.16,;-4.11,15.36,;-5.47,11.52,;-4.91,10.09,;-5.87,8.88,;-5.31,7.45,;-3.78,7.22,;-2.82,8.42,;-1.28,8.42,;-.32,7.22,;-.67,5.72,;-2.05,5.05,;-2.05,3.51,;-.72,2.74,;.61,3.51,;-.72,1.2,;.61,.43,;.61,-1.11,;1.95,-1.88,;3.28,-1.11,;4.61,-1.88,;5.95,-1.11,;5.95,.43,;4.61,1.2,;3.28,.43,;1.95,1.2,;-3.44,5.72,;-4.65,4.76,;-3.39,9.86,;-2.19,17.77,;-3.72,18,;-1.23,18.97,;-1.8,20.41,;-2.36,21.84,;-.36,20.97,;-3.23,19.84,)|

BDBM518061

CN(CCF)C1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,wU:22.23,(-8.7,3.62,;-9.1,2.13,;-10.59,1.74,;-11.68,2.82,;-13.16,2.43,;-8.01,1.04,;-6.52,1.44,;-5.44,.35,;-5.83,-1.13,;-7.32,-1.53,;-8.41,-.44,;-4.74,-2.22,;-3.26,-1.82,;-2.91,-.32,;-1.44,.13,;-.31,-.92,;-.66,-2.42,;.3,-3.62,;1.84,-3.62,;2.8,-2.42,;2.46,-.92,;3.55,.17,;5.04,-.23,;5.44,-1.71,;6.13,.86,;7.61,.46,;8.01,-1.02,;9.5,-1.42,;10.59,-.33,;12.08,-.73,;13.16,.36,;12.77,1.85,;11.28,2.24,;10.19,1.16,;8.7,1.55,;1.07,-.25,;1.07,1.29,;-2.13,-2.87,)|

BDBM518062

C[C@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CN(CCF)C3)cc2O1 |r|

BDBM518063

C[C@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCF)CC3)cc2O1 |r|

BDBM518064

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc2O1)C(=O)N1C2CCC1COC2 |r|

BDBM518065

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc2O1)C(=O)N1CC2CC1CO2 |r|

BDBM518066

CC1COCC(C)N1C(=O)c1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518067

CN1CCC(Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C(F)C1 |r|

BDBM518068

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CCF)CC3F)ccc2C1=O |r|

BDBM518069

OCCN1CCC(Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C(F)C1 |r|

BDBM518070

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc2O1)C(=O)N1CCn2cccc2C1 |r|

BDBM518071

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc2O1)C(=O)N1CCN2CCCC2C1 |r|

BDBM518072

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(Oc3ncc(F)cn3)ccc2C1=O |r|

BDBM518074

CC(O)CN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518075

CN1CCC[C@@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM613324

CON(C)C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518077

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CC4CCC(C3)N4CCF)ccc2C1=O |r|

BDBM518079

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)C1CC1 |r|

BDBM518080

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)C1CCCC1 |r|

BDBM518081

CN1CCC[C@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518082

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCO)CC3)cc2O1 |r|

BDBM518083

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC(C)(C)O)CC3)cc2O1 |r|

BDBM518084

CC(N1CCOCC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518085

CC(N1CC2(COC2)C1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518086

OCC#Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518087

COCCN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518088

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)-c1ccncc1 |r|

BDBM518089

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C#Cc1ccncc1 |r|

BDBM518090

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C#Cc1cccnc1 |r|

BDBM518091

CC(O)C#Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518092

CNCC#Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518093

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)-c1cccnc1 |r|

BDBM518094

Cc1nn(C)cc1-c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518095

Cn1cc(cn1)-c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518096

Cc1c(cnn1C)-c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518097

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCO)CC3)nc2O1 |r|

BDBM518098

CC(C)(O)CN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518099

CCOCCN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518100

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CC4CCC(C3)N4CCO)cc2O1 |r|

BDBM518101

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CC4CCC(C3)N4CCF)cc2O1 |r|

BDBM518102

COCCN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518103

CC(O)CN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518104

CC(N1CCOCC1)c1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|

BDBM518105

CC(N1CC2(COC2)C1)c1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|

BDBM518106

CC(O)CN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|

BDBM518107

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCn4cccc4C3)ccc2C1=O |r|

BDBM518108

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CC4(COC4)C3)cc2O1 |r|

BDBM518109

O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC4(COC4)CC3)ccc2C1=O |r|

BDBM613357

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCC4(COC4)CC3)cc2O1 |r|

BDBM518111

OCCN1CC[C@@H](Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)[C@H](F)C1 |r|

BDBM518112

CC(O)CN1CC[C@@H](Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)[C@H](F)C1 |r|

BDBM518113

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCO)C[C@H]3F)cc2O1 |r|

BDBM518114

CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCO)CC3(F)F)nc2O1 |r|

BDBM518116

COCCN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|

BDBM518117

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(O[C@H]3CCN(C)C3)cc2O1 |r|

BDBM518118

C[C@H](O)CN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518119

C[C@@H](O)CN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518120

COCCN1CC[C@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM518121

C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(O[C@@H]3CCN(C)C3)cc2O1 |r|

BDBM518122

COCCN1CC[C@H](C1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|

BDBM690344

Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)nc(N)c1cncn21 |(2.68,-14.76,;1.78,-13.52,;.24,-13.52,;-.24,-12.05,;1.01,-11.15,;2.25,-12.05,;3.72,-11.58,;4.04,-10.07,;2.89,-9.04,;5.5,-9.59,;6.65,-10.62,;8.11,-10.15,;9.25,-11.18,;8.93,-12.69,;7.47,-13.16,;6.33,-12.13,;4.83,-12.65,;4.49,-14.15,;4.16,-15.65,;1.01,-9.61,;2.34,-8.84,;2.34,-7.3,;1.01,-6.53,;-.33,-7.3,;-.33,-8.84,;-1.66,-6.53,;-1.66,-4.99,;-3,-4.22,;-.33,-4.22,;-.01,-2.71,;1.52,-2.55,;2.15,-3.96,;1.01,-4.99,)|

BDBM690345

Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)nc(N)c1cncn21 |(1.49,-14.27,;.59,-13.02,;-.95,-13.02,;-1.43,-11.56,;-.18,-10.65,;1.06,-11.56,;2.53,-11.08,;2.85,-9.58,;1.7,-8.55,;4.31,-9.1,;4.63,-7.59,;5.45,-10.13,;5.13,-11.64,;6.28,-12.67,;7.74,-12.19,;9.25,-12.51,;8.77,-11.05,;3.66,-12.17,;3.34,-13.67,;3.02,-15.18,;-.18,-9.11,;1.15,-8.34,;1.15,-6.8,;-.18,-6.03,;-1.52,-6.8,;-1.52,-8.34,;-2.85,-6.03,;-2.85,-4.49,;-4.19,-3.72,;-1.52,-3.72,;-1.2,-2.22,;.33,-2.06,;.96,-3.46,;-.18,-4.49,)|

BDBM690346

C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c1ccc2nc(N)c3cncn3c2c1)c1ncccn1 |r|

BDBM690347

C[C@H]1CC[C@@H](N(C1)C(=O)c1ccc2nc(N)c3cncn3c2c1)c1ccc2NC(=O)CCc2c1 |r|

BDBM690348

C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c1ccc2nc(N)n3cncc3c2c1)c1ncccn1 |r|

BDBM690349

C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c1cc2c(cc1F)nc(N)c1cncn21)c1ncccn1 |r|

BDBM690350

C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c1ccc2nc(N)c3cnc(C)n3c2c1)c1ncccn1 |r|

BDBM690351

C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c1ccc2nc(N)c3c(C)ncn3c2c1)c1ncccn1 |r|

BDBM690352

C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c1ccc2nc(N)c3c(C)nc(C)n3c2c1)c1ncccn1 |r|

BDBM690353

C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21)c1ncccn1 |r|

BDBM690354

CN(C1COc2cc(ccc12)C(F)(F)F)C(=O)c1ccc2nc(N)c3cncn3c2c1

BDBM690355

CN([C@@H]1COc2cc(ccc12)C(F)(F)F)C(=O)c1ccc2nc(N)c3cncn3c2c1 |r|

BDBM690356

CN(C1COc2cc(ccc12)C(F)(F)F)C(=O)c1cnc2nc(N)c3cncn3c2c1

BDBM690362

CN(C1COc2cc(ccc12)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21

BDBM690366

CN(C1COCc2cc(ccc12)C(F)(F)F)C(=O)c1ccc2nc(N)c3cncn3c2c1

BDBM690367

CN(C1CC(F)(F)c2cc(ccc12)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21

BDBM690371

CN(C1COc2nc(ccc12)C(F)(F)F)C(=O)c1ccc2nc(N)c3cncn3c2c1

BDBM690372

CN(C1COc2nc(ccc12)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21

BDBM690373

CN(C1COc2cc(cnc12)C(F)(F)F)C(=O)c1ccc2nc(N)c3cncn3c2c1

BDBM690374

CN(C1COc2cc(cnc12)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21

BDBM690375

CN(C1COc2cc(ncc12)C(F)(F)F)C(=O)c1ccc2nc(N)c3cncn3c2c1

BDBM690376

CN(C1COc2cc(ncc12)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21

BDBM690377

CN(C1COc2c1ccc(c2F)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21

BDBM690378

CN(C1COc2cc(c(F)cc12)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21

BDBM690379

CN(C1COc2cc(cc(F)c12)C(F)(F)F)C(=O)c1cc2c(cn1)nc(N)c1cncn21

BDBM690380

CN(C1COc2cc(OC(F)F)ccc12)C(=O)c1ccc2nc(N)c3cncn3c2c1

BDBM710392

Cn1ncc(-c2ccc3c(=O)[nH]cc(CN)c3c2)c1-c1c(F)cc2ccccc2c1C#N

BDBM710393

Cn1ncc(-c2ccc3c(=O)[nH]cc(CN)c3c2)c1-c1cc(Cl)cc(OC2CC2)c1C#N

BDBM710394

Cn1ncc(-c2ccc3c(=O)[nH]cc(CN)c3c2)c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N

BDBM710395

Cc1cc(-c2c(-c3ccc4c(=O)[nH]cc(CN)c4c3)cnn2C)c(C#N)c2ccccc12

BDBM710396

Cn1ncc(-c2ccc3c(=O)[nH]cc(CN)c3c2)c1-c1cc(Cl)c2ccccc2c1C#N

BDBM710397

Cn1ncc(-c2ccc3c(=O)[nH]cc(CN)c3c2)c1-c1cccc(OC2CC2)c1C#N

BDBM710398

Cn1ncc(-c2ccc3c(=O)[nH]cc(CN)c3c2)c1-c1cc(C(F)(F)F)cc(OC2CC2)c1C#N

BDBM50089221

CCNC(=O)NCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

BDBM50238545

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(F)ccc2[nH]1

BDBM50238598

COC(=O)c1ccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1

BDBM50238535

Cc1ccc(OCc2nnc3sc(nn23)-c2cccnc2)cc1

BDBM50238601

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(C)=O)nc2c1

BDBM50238539

COC(=O)c1ccccc1NC(=O)CSc1nc2c(OC)cccc2[nH]1

BDBM50238536

COc1ccc(C(=O)NC2SCN=C2)c(OC)c1 |c:12|

BDBM50238537

COC(=O)c1ccccc1NC(=O)CSc1nc2c(Cl)cccc2[nH]1

BDBM50238594

OCCNCc1c(OCc2ccccc2F)ccc2ccccc12

BDBM50238541

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1

BDBM50238544

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC(C)C)ccc2[nH]1

BDBM50238600

CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1

BDBM50238592

Clc1ccc(CNCC2CCNCC2)cc1Cl

BDBM50238542

CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)OC)nc2c1

BDBM50098047

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3Cl)nc2c1

BDBM50238599

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(O)=O)nc2c1

BDBM50238551

COC(=O)c1ccccc1NC(=O)CSc1nc2ccncc2[nH]1

BDBM50238595

COC(=O)c1cccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)c1

BDBM50238546

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1

BDBM50238553

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3OC)nc2c1

BDBM50238597

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)N(C)C)nc2c1

BDBM50238534

COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1

BDBM50238596

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3N(C)C)nc2c1

BDBM50238604

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3)nc2c1

BDBM50238548

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(N)ccc2[nH]1

BDBM50238540

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(O)ccc2[nH]1

BDBM50238591

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(Br)ccc2[nH]1

BDBM50238543

CCCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)OC)nc2c1

BDBM50238552

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C)nc2c1

BDBM50238605

CNC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1

BDBM50238603

COC(=O)c1ccncc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1

BDBM50238550

COC(=O)c1ccccc1NC(=O)CSc1nc2nc(OC)ccc2[nH]1

BDBM50238547

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O

BDBM50238549

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(ccc2[nH]1)N(C)C

BDBM33104

[O-][N+](=O)c1ccccc1-c1ccc(\C=C\C(=O)c2ccccc2)o1

BDBM50238538

COC(=O)c1ccccc1NC(=O)CSc1nc2c(C)cccc2[nH]1

BDBM50238602

COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)ccc2[nH]1

BDBM50238593

CNc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)OC)nc2c1

BDBM50271655

OC(=O)COc1ccc(Br)cc1-c1csc(Nc2ccc(Br)cc2)n1

BDBM50271656

COc1cc(Br)c(Br)c(\C=N\c2cccc(c2)-c2nc3ccccc3[nH]2)c1O

BDBM50114642

NC(=O)NN=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:4.3|

BDBM50009672

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

BDBM50271658

Cc1cc(ccc1F)-c1csc(Nc2ccc(O)c(c2)C(O)=O)n1

BDBM50271657

COc1ccc(cc1C)-c1csc(Nc2ccc(O)c(c2)C(O)=O)n1

BDBM50271659

CCN(CC)CCCNC(=O)c1ccc(OC)c(c1)[N+]([O-])=O

BDBM50271660

Cc1ccc(C)c(c1)-c1csc(Nc2ccc(O)c(c2)C(O)=O)n1

BDBM50271661

OC(CNCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1

BDBM50366992

c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O

BDBM50367026

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H](O)c1ccccc1 |r|

BDBM50462567

OCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12

BDBM50502496

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(OC)N3C=Nc12)[C@H](O)c1ccc(Cl)cc1 |r,c:21,t:13|

BDBM50502497

c1cc(ccc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4NCC=O)O)O)O)Cl

BDBM50502498

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(O)N3C=Nc12)[C@H](O)c1ccc(Cl)cc1 |r,c:20,t:13|

BDBM50502499

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(NCC(C)=O)ncnc12)[C@H](O)c1ccc(F)c(F)c1 |r|

BDBM50502500

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1N=CN1C(O)CCN=C21)[C@H](O)c1ccc(Cl)cc1

BDBM50502501

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(NCC(OC)OC)ncnc12)[C@H](O)c1ccc(Cl)cc1 |r|

BDBM50506814

Brc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1C#N

BDBM50506815

FC(F)(F)c1ccnc(NC(=O)CCN2CCc3ccccc3C2)n1

BDBM50506816

COC(=O)c1ccccc1NC(=O)CN1CCc2ccccc2C1

BDBM50506820

COC(=O)c1ccccc1NC(=O)CCN1CCc2ccccc2C1

BDBM50506821

Cc1cc(ccc1NC(=O)CCN1CCc2ccccc2C1)[N+]([O-])=O

BDBM50506822

Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)c(c1)[N+]([O-])=O

BDBM50506823

O=C(CCN1CCc2ccccc2C1)Nc1ccccc1

BDBM50506824

O=C(CCN1CCc2ccccc2C1)Nc1cccc2ncccc12

BDBM50506825

O=C(CCN1CCc2ccccc2C1)Nc1cccc2ccccc12

BDBM50506826

O=C(CCN1CCc2ccccc2C1)NNC(=O)c1ccccc1

BDBM96555

Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1

BDBM50506827

O=C(CCN1CCc2ccccc2C1)Nc1ccc(Oc2ccccc2)cc1

BDBM50506828

Clc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1

BDBM50506829

Fc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1

BDBM50506831

O=C(CCN1CCc2ccccc2C1)Nc1ccccc1C#N

BDBM50506832

CCOC(=O)c1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1

BDBM50506833

COC(=O)c1ccccc1NC(=O)CCCN1CCc2ccccc2C1

BDBM50506834

FC(F)(F)Oc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1

BDBM50506835

COC(=O)c1cc(F)c(F)cc1NC(=O)CCN1CCc2ccccc2C1

BDBM50506836

Cc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1

BDBM50506837

COc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1

BDBM50506838

Brc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1

BDBM50506839

CC(=O)c1cccc(NC(=O)CCN2CCc3ccccc3C2)c1

BDBM415556

Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM50523629

Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(Cl)cn12 |r|

BDBM50523633

Nc1ncnc2n(ccc12)[C@@H]1C[C@H](Sc2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|

BDBM50523634

Nc1ncnc2n(ccc12)[C@@H]1C[C@H](\C=C\c2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|

BDBM50523635

Nc1ncnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|

BDBM50523636

[H][C@@]1(C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccc(F)c(F)c1 |r|

BDBM50523637

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1nc(C#C)c2c(N)ncnc12)[C@H](O)c1ccc(Cl)cc1 |r|

BDBM415529

Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O

BDBM50523639

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](O)c1ccc(F)c(F)c1 |r|

BDBM50523630

Nc1ncnc2n(ccc12)[C@@H]1C[C@H](CCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|

BDBM50523640

Nc1ncnc2n(ccc12)[C@@H]1C[C@H](OCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|

BDBM50523641

Nc1ncnc2n(ccc12)[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O |r|

BDBM50462572

c1cc2cc(c(nc2cc1CC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5N)N)Br

BDBM50523642

Cc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccn2c1C |r|

BDBM50523643

Nc1cccc(CCCC[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(N)ncnc23)n1 |r|

BDBM50523644

Nc1ccc(CC[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(N)ncnc23)cn1 |r|

BDBM50523648

CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)C=C)ncnc12 |r|

BDBM50523653

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12)[C@H](O)c1ccc(F)c(F)c1 |r|

BDBM50523655

Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(F)cn12 |r|

BDBM50523659

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12)[C@H](N)c1ccc(F)c(F)c1 |r|

BDBM50523646

Nc1ccc2ccc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc2n1 |r|

BDBM50523656

Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccn12 |r|

BDBM50523660

CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)C(C)=C)ncnc12 |r|

BDBM415554

Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O

BDBM50523662

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cc(C#C)c2c(N)ncnc12)[C@H](O)c1ccc(Cl)cc1 |r|

BDBM50523645

Nc1ncnc2n(ccc12)[C@@H]1C[C@H](COc2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|

BDBM50523663

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cn\c2=N/N)[C@H](O)c1ccc(Cl)cc1 |r|

BDBM50529888

CN(C)c1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529889

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccccc1F)CN1CCc2ccccc2C1

BDBM50529890

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1

BDBM50529891

OC(CNC(=O)c1cc2CN(CCc2s1)C1CCOCC1)CN1CCc2ccccc2C1

BDBM50529892

CC(N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1)c1ccccc1

BDBM50529893

CN1CCc2sc(nc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529894

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(cc1)C#N)CN1CCc2ccccc2C1

BDBM50529895

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc2ccccc2c1)CN1CCc2ccccc2C1

BDBM50529896

COc1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM50529898

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccccc1)CN1CCc2ccccc2C1

BDBM50529897

O[C@@H](CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 |r|

BDBM50529899

O[C@H](CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 |r|

BDBM50529900

CN(C)c1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|

BDBM50529901

OC(CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1

BDBM50529902

CN(C)c1ccc(cc1)C(=O)N1Cc2ccc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529903

CN(C)c1ccc(cc1)C(=O)N1CCc2ccc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529904

CN(C)c1ccc(cc1)C(=O)N1CCc2sc(C(=O)NCC(O)CN3CCc4ccccc4C3)c(C)c2C1

BDBM50529905

CN1CCc2[nH]c(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529906

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(cc1)N1CCC1)CN1CCc2ccccc2C1

BDBM50529907

CN(C)c1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529908

CC(C)(C)c1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529909

CC(=O)c1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529910

COc1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529911

Cc1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529912

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1cccs1)CN1CCc2ccccc2C1

BDBM50529913

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccco1)CN1CCc2ccccc2C1

BDBM50529914

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccncc1)CN1CCc2ccccc2C1

BDBM50529915

CCCN1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529916

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)CCc1ccccc1)CN1CCc2ccccc2C1

BDBM50529917

OC(CNC(=O)c1cc2CN(CCc2s1)S(=O)(=O)c1ccccc1)CN1CCc2ccccc2C1

BDBM50529918

OC(CNC(=O)c1cc2CN(CCc2s1)c1ccccc1)CN1CCc2ccccc2C1

BDBM50529919

CN1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529920

COc1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|

BDBM50529921

COc1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529922

CN1CCc2oc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1

BDBM50529923

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1cccc(F)c1)CN1CCc2ccccc2C1

BDBM50529924

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(cc1)[N+]([O-])=O)CN1CCc2ccccc2C1

BDBM50529925

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(Cl)cc1)CN1CCc2ccccc2C1

BDBM50529926

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(F)cc1)CN1CCc2ccccc2C1

BDBM50529927

OC(CNC(=O)c1cc2CN(CCc2s1)C1CCCCC1)CN1CCc2ccccc2C1

BDBM50529928

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(cc1)C(F)(F)F)CN1CCc2ccccc2C1

BDBM50529929

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)Cc1ccccc1)CN1CCc2ccccc2C1

BDBM50529930

OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)Oc1ccccc1)CN1CCc2ccccc2C1

BDBM50529931

OC(CNC(=O)c1cc2CN(Cc3ccccc3)CCc2s1)CN1CCc2ccccc2C1

BDBM50303748

COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:10,TLB:8:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|

BDBM50303760

CN1C(=O)[C@](N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4

BDBM50543445

COc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:10,TLB:19:20:18.17.23:24,23:18:25:22.21.24,23:22:25:19.18.17,THB:19:18:25.20.21:24|

BDBM50543446

CN1C(N)=N[C@@](C1=O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |r,c:3,TLB:21:16:23:20.19.22,21:20:23:17.16.15,17:18:16.15.21:22,THB:17:16:23.18.19:22|

BDBM50543447

CN1C(N)=N[C@@](C1=O)(c1ccc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 |r,c:3,TLB:21:22:20.19.25:26,25:20:27:24.23.26,25:24:27:21.20.19,THB:21:20:27.22.23:26|

BDBM50543448

COc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(O)(CC(F)(C3)C1)C2 |t:10,TLB:21:20:17:23.25.26,THB:19:18:20.27.22:26,19:20:17.18.25:26,22:20:17:23.25.26,22:23:17:19.20.27,24:23:17:19.20.27|

BDBM50543449

COc1ccc(cc1)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(O)(C3)C1)C2 |r,t:10,TLB:19:20:18.17.24:25,19:18:26.20.21:25,24:18:26:22.21.25,24:22:26:19.18.17,23:22:26:19.18.17|

BDBM50543450

COc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CCC(CC1)CC2 |t:10|

BDBM50543451

CN1C(N)=NC(CCC2CCCCC2)(C1=O)c1ccccc1 |c:3|

BDBM50543452

CC1CCN2C(N1)=N[C@@](C2=O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |r,c:7,TLB:24:19:26:23.22.25,24:23:26:20.19.18,20:21:19.18.24:25,THB:20:19:26.21.22:25|

BDBM50543453

CCC1CCN2C(N1)=N[C@@](C2=O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |r,c:8,TLB:25:20:27:24.23.26,25:24:27:21.20.19,21:22:20.19.25:26,THB:21:20:27.22.23:26|

BDBM50550091

NC(=N)c1ccc(Nc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1

BDBM50550092

CNC(=N)N\N=C(\C)c1ccc2oc3ccc(cc3c2c1)C(\C)=N\NC(=N)NC

BDBM50550093

C1CN=C(N1)c1cc2cc(ccc2o1)-c1cc2ccc(cc2[nH]1)C1=NCCN1 |c:2,t:28|

BDBM50550094

CNCC(=O)NC1=CC2C(C=C1)C(=O)c1cc(NC(=O)CNC)ccc1C2=O |c:10,t:6|

BDBM50550095

Nc1nc(N)c2nc3c(ccc4ccccc34)nc2n1

BDBM50550144

CN(CC(O)COc1cccc(CNC2CCCC2)c1)Cc1ccccc1

BDBM297741

OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1

BDBM50550145

OC(COc1cccc(CNC2CCCC2)c1)CN1CCc2ccncc2C1

BDBM50560741

C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|

BDBM50560742

C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|

BDBM50561804

NC1CCN(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)CC1 |r|

BDBM50561805

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC22CNC2)[C@@H](O)[C@H]1O |r|

BDBM50561806

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC22CCNC2)[C@@H](O)[C@H]1O |r|

BDBM50561807

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC22CCNCC2)[C@@H](O)[C@H]1O |r|

BDBM50561808

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCC22CNC2)[C@@H](O)[C@H]1O |r|

BDBM50561809

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCC22CCNCC2)[C@@H](O)[C@H]1O |r|

BDBM50561810

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCC3(C2)CCNCC3)[C@@H](O)[C@H]1O |r|

BDBM50561811

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC3(CNC3)C2)[C@@H](O)[C@H]1O |r|

BDBM50561812

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCC3(CCNC3)CC2)[C@@H](O)[C@H]1O |r|

BDBM50561813

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCC3(CCNCC3)CC2)[C@@H](O)[C@H]1O |r|

BDBM50561814

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC2)[C@@H](O)[C@H]1O |r|

BDBM50561815

NCC[C@H]1CCCN1C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50561816

NCC[C@@H]1CCCN1C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50561817

c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CN4CCCC45CCNCC5)O)O

BDBM50561818

CN1CCC2(CCCN2C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc3c(N)ncnc23)CC1 |r|

BDBM50561819

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC22CCCCC2)[C@@H](O)[C@H]1O |r|

BDBM50561820

CC(=O)N1CCC2(CCCN2C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)CC1 |r|

BDBM50572964

Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCCC1

BDBM50572965

CN1CCCN(CC1)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C

BDBM67000

Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1

BDBM50572966

CN1CCN(CC1)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C

BDBM50572967

CN(C)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C

BDBM50572968

Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1

BDBM50572969

Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1cccnc1

BDBM50572970

Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccncc1

BDBM50572971

CS[C@]1(O[C@H](CO)[C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50572972

Clc1cnn(CC(=O)Nc2cccc(c2)S(=O)(=O)NCCc2ccccn2)c(=O)c1Cl

BDBM50572973

COc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1

BDBM50572974

CCc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1

BDBM50572975

Cc1cc(C)c(cc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O)S(=O)(=O)NCCc1ccccn1

BDBM50572976

Cc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc(c1C)S(=O)(=O)NCCc1ccccn1

BDBM50572977

Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)c1S(=O)(=O)NCCc1ccccn1

BDBM50572978

Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)nc1S(=O)(=O)NCCc1ccccn1

BDBM50572979

CN1CCCN(CC1)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cnc1C

BDBM50572980

CN(C)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ncc1C

BDBM50572981

CN(C)S(=O)(=O)N1CCCC(C1)NC(=O)Cn1ncc(Cl)c(Cl)c1=O

BDBM50572982

CN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1

BDBM50572983

C[C@@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)c(Cl)c1=O |r|

BDBM50572984

C[C@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)c(Cl)c1=O |r|

BDBM50572985

CC(C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)c(C)c1=O

BDBM50572986

Cc1ccc(NC(=O)Cn2ncc(F)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1

BDBM50572987

Cc1ccc(NC(=O)Cn2ncc(F)c(C)c2=O)cc1S(=O)(=O)NCCc1ccccn1

BDBM50572988

Cc1ccc(NC(=O)Cn2ncc(F)cc2=O)cc1S(=O)(=O)NCCc1ccccn1

BDBM50572989

Cc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1

BDBM50572990

C[C@@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)cc1=O |r|

BDBM50572991

C[C@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)cc1=O |r|

BDBM50572992

C[C@@H](C(=O)N(C)c1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)cc1=O |r|

BDBM50572993

Cc1ccc(cc1S(=O)(=O)NCCc2ccccn2)NC(=O)CN3C(=O)C(=CC=N3)Cl

BDBM22111

CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

BDBM50585598

C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50607687

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607688

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607689

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607690

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607691

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607692

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CNC(=O)CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607693

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607694

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCNC(=O)CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607695

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1C\C=C\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r,t:85|

BDBM50607696

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607697

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1C\C=C\C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r,t:85|

BDBM50607698

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607699

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1C\C=C\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r,t:21|

BDBM50607700

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1C\C=C/CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r,c:21|

BDBM50607701

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC\C=C\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r,t:22|

BDBM50607702

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC\C=C\CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r,t:22|

BDBM50607703

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607704

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607705

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1C\C=C/CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r,c:21|

BDBM50607706

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC\C=C\C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r,t:22|

BDBM50607707

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC\C=C\CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r,t:22|

BDBM50607708

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607709

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607710

CC(C)[C@H](NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607711

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607712

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607713

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607714

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607715

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607716

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607717

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607718

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607719

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607720

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607721

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607722

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607723

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607724

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCCC[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607725

C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N1)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607726

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1CCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O |r|

BDBM50607727

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607728

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607729

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607730

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607731

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607732

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50607733

CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCCC[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(N)=O |r|