SMILES for Carboxypeptidase B2

393 SMILES Strings for Carboxypeptidase B2

Compound Name

SMILES String

BDBM50201432

CC(=N)N1CCC(CC1)C(CS)C(O)=O

BDBM50197565

CC(=N)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O |r,TLB:24:25:29.28:32|

BDBM50197579

CC(=N)NCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O |r,TLB:23:24:28.27:31|

BDBM50197568

CC(=O)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O |r,TLB:24:25:29.28:32|

BDBM50395738

CC(=O)SCC(CCCCCN)C(O)=O

BDBM50197564

CC(C)(C)C1CCC(CC1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,wU:13.14,wD:26.28,(2.75,-7.11,;3.53,-5.79,;1.99,-5.78,;3.54,-4.25,;4.86,-6.57,;6.21,-5.81,;7.54,-6.58,;7.53,-8.13,;6.19,-8.9,;4.85,-8.12,;8.86,-8.91,;10.2,-8.14,;10.2,-6.6,;11.53,-8.91,;11.53,-10.45,;10.19,-11.21,;8.87,-10.43,;7.53,-11.18,;7.51,-12.72,;8.84,-13.51,;10.19,-12.75,;12.86,-8.14,;14.2,-8.91,;13.09,-9.99,;15.28,-9.99,;15.53,-8.14,;16.86,-8.91,;16.86,-10.45,;18.2,-11.22,;18.2,-12.76,;19.53,-13.53,;19.53,-15.07,;18.2,-8.14,;19.53,-8.91,;18.2,-6.6,)|

BDBM50144342

CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O

BDBM326336

CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O |r|

BDBM326337

CC(C)(C)CCn1cnc(c1)[C@]1(C[C@H]1CCCN)C(O)=O |r|

BDBM50089697

CC(C)(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50197561

CC(C)(C)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM326375

CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C

BDBM326377

CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2n1)C(=O)OC(C)(C)C

BDBM326374

CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ncccn1)C(=O)OC(C)(C)C

BDBM326381

CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1cc2ccccc2cn1

BDBM326380

CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1ccc(Cl)cn1

BDBM173903

CC(C)(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM50305347

CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1 |r|

BDBM326387

CC(C)(CN)CC1CC1(C(O)=O)c1cn(cn1)-c1ccccc1

BDBM50144320

CC(C)(CN)CCC(C(O)=O)c1cnc[nH]1

BDBM50089747

CC(C)(NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C |r,THB:18:19:26:23.24|

BDBM50197559

CC(C)C12CC3CC(CC(C3)(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2 |r,TLB:12:9:4:6.7.37,10:9:4.5.6:37,10:5:37:9.11.8,THB:8:9:4:6.7.37,8:7:4:9.11.10|

BDBM50144337

CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O

BDBM50144333

CC(C)CCCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O

BDBM50089692

CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50089685

CC(C)CCNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50144317

CC(C)CCn1cnc(c1)C(CCCCN)C(O)=O

BDBM50135934

CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O

BDBM50144336

CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O

BDBM50089696

CC(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50089743

CC(C)C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C |r,THB:20:21:28:25.26|

BDBM50197566

CC(C)C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:25:29.28.27,THB:23:22:25.24.29:27,23:24:27:31.22.30,30:22:25:29.28.27,30:28:25:31.22.23|

BDBM50226597

CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c1

BDBM50089699

CC(C)[C@@H](C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50089744

CC(C)[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C |r,THB:19:20:27:24.25|

BDBM50089686

CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50089688

CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

BDBM50547477

CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2coc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50547476

CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2csc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50547478

CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(NC(=O)c3coc1n3)cc2)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50395728

CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O |r|

BDBM50197538

CC(C)[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:20:21:24:28.27.26,THB:22:21:24.23.28:26,22:23:26:30.21.29,29:21:24:28.27.26,29:27:24:30.21.22|

BDBM173929

CC(C)[C@H]1COCC(O)C(O)COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM173930

CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM173926

CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM173921

CC(C)[C@H]1COCCCCC2=CC(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)=CC2 |r,c:35,t:10|

BDBM173904

CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM173932

CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](CCCCN)C(O)=O)C(=O)N1 |r|

BDBM173924

CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](Cc2ccc(N)nc2)C(O)=O)C(=O)N1 |r|

BDBM173886

CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM173911

CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM173918

CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2 |r|

BDBM173923

CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2F |r|

BDBM173931

CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM173922

CC(C)[C@H]1COCCCCc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2 |r|

BDBM173928

CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2 |r|

BDBM173906

CC(C)[C@H]1COC\C=C\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r,t:7|

BDBM50226609

CC(C)n1cnc(C[C@H](NCCN)C(O)=O)c1

BDBM50135938

CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O

BDBM326371

CC(CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccc1

BDBM50144322

CC(CN)CCC(C(O)=O)c1cnc[nH]1

BDBM81910

CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1

BDBM50197553

CC1(C)C2CCC1(C)C(C2)OC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM50089751

CC1(C)C2CCC1(C)CC2NC(=O)C(CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089746

CC1(C)C2CCC1(C)CC2NC(=O)CNC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089749

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089750

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089780

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(N)=O |r,TLB:10:9:1:5.4|

BDBM50089691

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:5.4:1|

BDBM50089752

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCN)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089756

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089757

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCONC(N)=N)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089754

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089742

CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:1:5.4|

BDBM50089745

CC1(C)C2CCC1(C)CC2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1 |r,TLB:10:9:1:5.4|

BDBM50197573

CC1(C)C2CCC1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:4.5:1|

BDBM109256

CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1

BDBM173894

CC1(C)COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM50197549

CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197532

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1 |r,THB:10:8:5.4:1|

BDBM50197555

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197575

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197576

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197529

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O |r,wU:13.15,3.2,6.7,wD:26.29,8.11,THB:10:8:5.4:1,(19.19,-13.84,;19.2,-15.38,;17.7,-15.78,;20.04,-16.52,;19.39,-17.68,;19.32,-18.96,;20.22,-17.79,;20.62,-19.27,;21.62,-17.83,;21.61,-16.65,;22.96,-18.59,;24.29,-17.83,;24.29,-16.28,;25.63,-18.59,;25.63,-20.14,;24.29,-20.91,;22.96,-20.1,;21.62,-20.87,;21.6,-22.41,;22.93,-23.2,;24.29,-22.44,;26.98,-17.82,;28.33,-18.6,;27.22,-19.69,;29.41,-19.69,;29.68,-17.83,;31.03,-18.6,;31.03,-20.15,;32.36,-20.92,;32.35,-22.46,;33.68,-23.23,;35.01,-22.46,;36.34,-23.24,;35.02,-20.92,;33.68,-20.14,;32.36,-17.84,;33.69,-18.6,;32.36,-16.29,)|

BDBM50197572

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCNCC1)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197547

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCC(N)=O)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197580

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197546

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCNC(N)=O)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197535

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCO)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197558

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197542

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197545

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197528

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197577

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197543

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cccnc1)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197544

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197563

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197536

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CCC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM50197556

CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1|

BDBM109244

CC1(O)CCC(CC1)n1cnc(CC(CCCN)C(O)=O)c1 |(-4.54,4.74,;-3.45,3.65,;-3.05,5.14,;-1.97,3.25,;-1.57,1.76,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|

BDBM50197531

CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:7:4.3.2,THB:12:9:7:4.3.2,10:3:7:9.11.8,6:5:2:9.11.10,8:9:7.5.4:2,8:5:2:9.11.10|

BDBM50089755

CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(O)=O)C2(C)C |r,THB:7:5:31:2.3|

BDBM50089782

CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C#N)C2(C)C |r,THB:7:5:33:3.2|

BDBM50089781

CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(N)=O)C2(C)C |r,THB:7:5:34:2.3|

BDBM50089758

CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C |r,THB:7:5:34:2.3|

BDBM50089778

CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C |r,THB:7:5:34:2.3|

BDBM109241

CC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1 |(-3.89,4.7,;-3.5,3.21,;-2.16,2.44,;-2.93,1.11,;-4.27,1.88,;-2.53,-.38,;-3.44,-1.62,;-2.53,-2.87,;-1.07,-2.39,;.26,-3.16,;1.6,-2.39,;1.6,-.85,;2.93,-.08,;2.93,1.46,;4.27,2.23,;2.93,-3.16,;2.93,-4.7,;4.27,-2.39,;-1.07,-.85,)|

BDBM50197534

CC1CC(CC(C)(C)C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50197562

CC1CCCC(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM109245

CC1CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1

BDBM50395735

CCC(=O)[Se]CC(CCCCCN)C(O)=O

BDBM50089695

CCC(C)C(C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM109260

CCC(CN)CC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O |r,wU:13.13,wD:16.17,(4.8,-.52,;3.47,-1.29,;2.14,-.52,;2.14,1.02,;3.47,1.79,;.8,-1.29,;.8,-2.83,;-.53,-3.6,;-1.86,-2.83,;-1.86,-1.29,;-3.33,-.81,;-4.23,-2.06,;-3.33,-3.3,;-3.73,.68,;-5.22,1.07,;-5.61,2.56,;-4.53,3.65,;-4.92,5.14,;-3.04,3.25,;-2.64,1.76,;2.14,-3.6,;2.14,-5.14,;3.47,-2.83,)|

BDBM326388

CCC(CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1 |r|

BDBM109240

CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1 |(-4.82,4.9,;-3.34,4.5,;-2.94,3.02,;-1.6,2.25,;-2.37,.91,;-3.71,1.68,;-1.98,-.58,;-2.88,-1.82,;-1.98,-3.07,;-.51,-2.59,;.82,-3.36,;2.16,-2.59,;2.16,-1.05,;3.49,-.28,;3.49,1.26,;4.82,2.03,;3.49,-3.36,;3.49,-4.9,;4.82,-2.59,;-.51,-1.05,)|

BDBM50226602

CCCCCn1cnc(C[C@H](NCCN)C(O)=O)c1

BDBM50305349

CCCCn1cnc(CC(OCCN)C(O)=O)c1

BDBM50226598

CCCCn1cnc(C[C@H](NCCN)C(O)=O)c1

BDBM50135936

CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O

BDBM326402

CCC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM326401

CCC[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM50089748

CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C |r,THB:19:20:27:24.25|

BDBM50197574

CCC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,TLB:20:21:25.24:28|

BDBM173900

CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM50226605

CCCn1cnc(CC(CCCN)C(O)=O)c1 |w:8.8|

BDBM50008270

CCCn1cnc(CC(NCCN)C(O)=O)c1

BDBM50305353

CCCn1cnc(CC(OCCNC)C(O)=O)c1

BDBM50226604

CCCn1cnc(C[C@@H](CCCN)C(O)=O)c1

BDBM50305354

CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1 |r|

BDBM50226610

CCCn1cnc(C[C@H](CCCN)C(O)=O)c1

BDBM50226606

CCCn1cnc(C[C@H](NCCN)C(O)=O)c1

BDBM50305345

CCCn1cnc(C[C@H](OCCN)C(O)=O)c1 |r|

BDBM326338

CCCn1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC

BDBM50008271

CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r|

BDBM50395740

CCOC(=O)C(CCCCCN)CSC(C)=O

BDBM50395736

CCOC(=O)C(CCCCCN)C[Se]C(=O)CC

BDBM50395739

CCOC(=O)C(CS)CCCCCN

BDBM50395731

CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1

BDBM50395729

CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1

BDBM326353

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Cl)cc1

BDBM326376

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cn1

BDBM326356

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2c1

BDBM326354

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(Cl)c1

BDBM326357

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(F)c1

BDBM326355

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1Cl

BDBM326360

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccn1

BDBM326359

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccnc1

BDBM326358

CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccncc1

BDBM326361

CCOC(=O)C1(CC1CCCN)c1cn(cn1)-c1ccc(C)cc1

BDBM326370

CCOC(=O)C1(CC1CCCNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Br)cn1

BDBM326395

CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM326396

CC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM326397

CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc1 |r|

BDBM326398

CC[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1 |r|

BDBM50197552

CC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,TLB:19:20:24.23:27|

BDBM109239

CC[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1 |r,wU:5.8,wD:2.1,(-4.94,5.34,;-3.45,4.94,;-3.05,3.45,;-4.14,2.36,;-3.74,.87,;-2.26,.48,;-1.17,1.57,;-1.57,3.05,;-1.86,-1.01,;-2.76,-2.26,;-1.86,-3.5,;-.39,-3.03,;.94,-3.8,;2.27,-3.03,;2.27,-1.49,;3.61,-.72,;3.61,.82,;4.94,1.59,;3.61,-3.8,;3.61,-5.34,;4.94,-3.03,;-.39,-1.49,)|

BDBM326346

CCc1ccc(cc1)-n1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC

BDBM50008277

CCc1cnc2CC(CCCN)(CCn12)C(O)=O

BDBM50226599

CCn1cnc(C[C@H](NCCN)C(O)=O)c1

BDBM50144325

CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O

BDBM50135940

CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O

BDBM50144338

CN(C)CCCCC(C(O)=O)c1cnc[nH]1

BDBM50197530

CN(C)CCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O |r,TLB:23:24:28.27:31|

BDBM50144319

CNCCCCC(C(O)=O)c1cnc[nH]1

BDBM50144318

CNc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1

BDBM326368

COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1

BDBM326369

COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)S(C)(=O)=O

BDBM326367

COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1

BDBM326349

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(\C=C\c2ccccc2)cn1

BDBM326345

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)c(C)c1

BDBM326342

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1

BDBM326352

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)c(F)c1

BDBM326350

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc1

BDBM326347

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(OC)cc1

BDBM326351

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Oc2ccccc2)cc1

BDBM326348

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)C(F)(F)F

BDBM326378

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2occc2c1

BDBM326343

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(C)c1

BDBM326341

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1

BDBM326344

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1C

BDBM326372

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccs1

BDBM326373

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1nccs1

BDBM326339

COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)C1CCCCC1

BDBM326362

COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn1 |r|

BDBM326364

COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1 |r|

BDBM326385

COC(=O)[C@@]1(C[C@@H]1C[C@@H](C)CNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1 |r|

BDBM81911

COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O

BDBM50575756

COc1ccc(CN2CCP(O)(=O)C(CCCCN)(C2)C(O)=O)cc1

BDBM50089738

COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)N[C@@H](CCCCN)C(O)=O)cc1 |r|

BDBM50575777

COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|

BDBM50575778

COc1ccc(cc1)-c1cccc(F)c1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|

BDBM50575779

COc1ccc(cc1OC)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|

BDBM50575770

COc1ccc(cn1)-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|

BDBM326379

COc1ccc(nc1)-n1cnc(c1)C1(CC1CCCNC(=O)OC(C)(C)C)C#N

BDBM81907

COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1

BDBM326389

C[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM109265

C[C@@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O |r,wU:12.12,wD:5.5,15.16,1.0,(4.54,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|

BDBM326394

C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1 |r|

BDBM326390

C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM109259

C[C@@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O |r,wU:5.5,12.12,wD:15.16,1.0,(4.54,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|

BDBM326393

C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1 |r|

BDBM50008269

C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O |r|

BDBM326403

C[C@H](CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM326391

C[C@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM109258

C[C@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O |r,wU:12.12,1.0,wD:5.5,15.16,(4.54,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|

BDBM326392

C[C@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM109257

C[C@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O |r,wU:5.5,12.12,1.0,wD:15.16,(4.54,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|

BDBM326386

C[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1 |r|

BDBM109254

C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O |r,wU:12.12,1.0,wD:15.16,(4.54,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|

BDBM50305352

C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O |r|

BDBM50305351

C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O |r|

BDBM50089700

C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1 |r|

BDBM50089740

C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc1 |r|

BDBM50197537

C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:18:19:22:26.25.24,THB:20:19:22.21.26:24,20:21:24:28.19.27,27:19:22:26.25.24,27:25:22:28.19.20|

BDBM109238

C[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1 |r,wU:4.7,wD:1.0,(-3.85,5.14,;-3.45,3.65,;-4.54,2.56,;-4.14,1.07,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|

BDBM109255

C[C@H]1CC[C@@H](CC1)n1cnc(CC(N2CC[C@H](N)C2)C(O)=O)c1 |r,wU:4.7,wD:1.0,16.17,(-3.85,5.14,;-3.45,3.65,;-4.54,2.56,;-4.14,1.07,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;.63,-.38,;1.1,1.08,;2.64,1.08,;3.41,2.42,;3.12,-.38,;3.21,-3.6,;4.54,-2.83,;3.21,-5.14,;-.79,-1.29,)|

BDBM109253

C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c1 |r,wU:4.7,wD:1.0,(-3.85,5.14,;-3.45,3.65,;-4.54,2.56,;-4.14,1.07,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|

BDBM109251

C[C@H]1CC[C@@H](CC1)n1cnc(C[C@@H](CCCN)C(O)=O)c1 |r,wU:4.7,12.12,wD:1.0,(-3.85,5.14,;-3.45,3.65,;-4.54,2.56,;-4.14,1.07,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|

BDBM109252

C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1 |r,wU:4.7,wD:1.0,12.12,(-3.85,5.14,;-3.45,3.65,;-4.54,2.56,;-4.14,1.07,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|

BDBM109264

C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1 |r,wU:4.7,wD:1.0,12.12,(-6.38,5.14,;-5.98,3.65,;-7.07,2.56,;-6.67,1.07,;-5.18,.68,;-4.09,1.76,;-4.49,3.25,;-4.78,-.81,;-5.69,-2.06,;-4.78,-3.3,;-3.32,-2.83,;-1.98,-3.6,;-.65,-2.83,;-.65,-1.29,;.68,-.52,;.68,1.02,;2.02,1.79,;.68,-3.6,;2.02,-2.83,;.68,-5.14,;-3.32,-1.29,)|

BDBM326340

C[C@H]1CC[C@@H](CC1)n1cnc(c1)C1(CC1CCCN)C(O)=O |r,wU:1.0,wD:4.7,(-6.33,.17,;-4.79,.06,;-3.93,1.34,;-2.39,1.23,;-1.72,-.15,;-2.58,-1.43,;-4.12,-1.32,;-.18,-.26,;.81,.92,;2.23,.35,;2.13,-1.19,;.63,-1.56,;3.31,-2.18,;2.54,-3.51,;4.08,-3.51,;5.41,-4.28,;5.41,-5.82,;6.74,-6.59,;6.74,-8.13,;4.49,-1.19,;4.22,.33,;5.93,-1.72,)|

BDBM109263

C[C@H]1CC[C@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1 |r,wU:1.0,4.7,(-3.85,5.14,;-3.45,3.65,;-1.97,3.25,;-1.57,1.76,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|

BDBM173902

C[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|

BDBM81905

Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1

BDBM50144316

Cc1cc(CC(C(O)=O)c2cnc[nH]2)cnc1N

BDBM50144323

Cc1cc(N)ncc1CC(C(O)=O)c1cnc[nH]1

BDBM50575776

Cc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|

BDBM81906

Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1

BDBM47512

Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1

BDBM326384

Cc1ccc(nc1)-n1cnc(c1)C1(CC1CCCN)C(O)=O

BDBM326400

Cc1cccc(n1)-n1cnc(c1)C1(CC1CCCN)C(O)=O

BDBM50305350

Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1

BDBM326399

Cc1ccnc(c1)-n1cnc(c1)C1(CC1CCCN)C(O)=O

BDBM50144339

Cc1nc(N)ccc1CC(C(O)=O)c1cnc[nH]1

BDBM50008272

Cl.CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r|

BDBM50197526

Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:11:9:5.6:2|

BDBM50008279

Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O |r|

BDBM50226601

Cn1cnc(C[C@H](NCCN)C(O)=O)c1

BDBM50135937

Cn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O

BDBM50575780

Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|

BDBM50575771

Cn1nc(cc1-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O)C(F)(F)F |r|

BDBM81909

Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1

BDBM50135939

NC(=N)CCCSCC(CS)C(O)=O

BDBM50201433

NC(=N)N1CCC(CC1)C(CS)C(O)=O |w:9.10|

BDBM50201429

NC(=N)N1CCCC(C1)C(CS)C(O)=O |w:9.10,7.6|

BDBM50201430

NC(=N)c1ccc(cc1)C(CS)C(O)=O |w:9.10|

BDBM81902

NC(Cc1ccc2c(N)nccc2c1)C(O)=O

BDBM81903

NC(Cc1ccc2ccnc(N)c2c1)C(O)=O

BDBM50144341

NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC1 |(5.49,-.09,;6.82,-.85,;8.17,-.09,;9.5,-.85,;9.5,-2.41,;10.84,-3.18,;12.36,-2.93,;12.92,-1.49,;14.43,-1.24,;11.94,-.29,;13.33,-4.13,;12.94,-5.62,;14.24,-6.46,;15.43,-5.49,;14.88,-4.05,;8.17,-3.18,;6.84,-2.41,)|

BDBM50144346

NC1CCCC(CC(C(O)=O)c2cnc[nH]2)C1

BDBM50201436

NCC(=O)N1CCC(CC1)C(CS)C(O)=O |w:10.11|

BDBM50144321

NCCCC(C(O)=O)c1cnc[nH]1

BDBM50226603

NCCCC(CS)C(O)=O |w:4.4|

BDBM109249

NCCCC(Cc1cn(cn1)C1C2CC3CC(C2)CC1C3)C(O)=O |TLB:8:11:13:15.16.17,THB:15:14:11:18.16.17,15:16:11:13.14.20,18:19:13:15.16.17,18:16:13:11.20.19,(5.01,2.01,;3.68,1.24,;3.68,-.3,;2.34,-1.07,;2.34,-2.61,;1.01,-3.38,;-.32,-2.61,;-.32,-1.07,;-1.79,-.6,;-2.69,-1.84,;-1.79,-3.09,;-2.56,.74,;-4.05,.92,;-5.01,2.01,;-4.19,3.43,;-4.58,4.92,;-3.47,3.62,;-4.24,2.29,;-1.93,3.62,;-1.93,2.08,;-2.86,3.27,;3.68,-3.38,;3.68,-4.92,;5.01,-2.61,)|

BDBM109237

NCCCC(Cc1cn(cn1)C1CCCCC1)C(O)=O

BDBM109246

NCCCC(Cc1cn(cn1)C1CCCCCC1)C(O)=O

BDBM109247

NCCCC(Cc1cn(cn1)[C@@H]1CC2CCC1C2)C(O)=O |r,TLB:8:11:15.14:17|

BDBM109261

NCCCC(Cc1cn(cn1)[C@@H]1CC[C@H](O)CC1)C(O)=O |r,wU:14.15,11.11,(4.54,1.79,;3.21,1.02,;3.21,-.52,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-3.45,3.65,;-3.85,5.14,;-4.54,2.56,;-4.14,1.07,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|

BDBM109248

NCCCC(Cc1cn(cn1)[C@H]1CC2CCC1C2)C(O)=O |r,TLB:8:11:15.14:17|

BDBM109250

NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccccc1)C(O)=O |r,wU:11.11,wD:14.18,(6.03,-.04,;4.7,-.81,;4.7,-2.35,;3.36,-3.12,;3.36,-4.66,;2.03,-5.43,;.69,-4.66,;.69,-3.12,;-.77,-2.64,;-1.67,-3.89,;-.77,-5.14,;-1.17,-1.16,;-2.66,-.76,;-3.05,.73,;-1.97,1.82,;-.48,1.42,;-.08,-.07,;-2.36,3.31,;-3.45,4.39,;-3.05,5.88,;-4.14,6.97,;-5.63,6.57,;-6.03,5.08,;-4.94,4,;4.7,-5.43,;4.7,-6.97,;6.03,-4.66,)|

BDBM109262

NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccncc1)C(O)=O |r,wU:11.11,wD:14.18,(5.63,1.13,;4.3,.36,;4.3,-1.18,;2.96,-1.95,;2.96,-3.49,;1.63,-4.26,;.29,-3.49,;.29,-1.95,;-1.17,-1.48,;-2.08,-2.72,;-1.17,-3.97,;-1.57,.01,;-3.06,.41,;-3.46,1.89,;-2.37,2.98,;-.88,2.58,;-.48,1.1,;-2.76,4.47,;-4.3,4.47,;-5.07,5.8,;-6.61,5.8,;-7.38,4.47,;-6.61,3.14,;-5.07,3.14,;4.3,-4.26,;4.3,-5.8,;5.63,-3.49,)|

BDBM109243

NCCCC(Cc1cn(cn1)[C@H]1CC[C@H](O)CC1)C(O)=O |r,wU:11.11,wD:14.15,(4.54,1.79,;3.21,1.02,;3.21,-.52,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|

BDBM109242

NCCCC(Cc1cn(cn1)[C@H]1C[C@@H]2C[C@@H]2C1)C(O)=O |r|

BDBM50226607

NCCCC(Cc1cnc[nH]1)C(O)=O

BDBM50008276

NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O

BDBM50008275

NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O |(12.03,-18.01,;11.64,-19.5,;10.15,-19.91,;9.76,-21.4,;8.28,-21.8,;8.28,-20.26,;6.95,-19.48,;5.61,-20.25,;5.62,-21.8,;6.95,-22.56,;4.15,-22.29,;3.24,-21.04,;4.14,-19.78,;3.66,-18.32,;4.68,-17.17,;4.2,-15.71,;5.22,-14.56,;4.74,-13.1,;3.23,-12.78,;2.2,-13.93,;2.68,-15.4,;2.75,-11.32,;3.78,-10.18,;3.31,-8.72,;1.8,-8.39,;.77,-9.54,;1.25,-11.01,;9.04,-23.13,;8.26,-24.46,;10.58,-23.14,)|

BDBM326382

NCCCC1CC1(C(O)=O)c1cn(cn1)-c1cccc2ccccc12

BDBM50144334

NCCCCC(C(O)=O)c1cnc[nH]1

BDBM173908

NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O |r|

BDBM50575743

NCCCCC1(CC(Cc2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575758

NCCCCC1(CN(Cc2ccc(Cl)cc2)CCP1(O)=O)C(O)=O

BDBM50575761

NCCCCC1(CN(Cc2ccc(F)cc2)CCP1(O)=O)C(O)=O

BDBM50575757

NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O

BDBM50575766

NCCCCC1(CN(Cc2ccc(cc2)-c2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575759

NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O

BDBM50575765

NCCCCC1(CN(Cc2cccc(c2)-c2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575764

NCCCCC1(CN(Cc2ccccc2-c2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575768

NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O

BDBM50575769

NCCCCC1(CN(Cc2ccccc2-c2cncnc2)CCP1(O)=O)C(O)=O

BDBM50575763

NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O

BDBM50575760

NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O

BDBM50575762

NCCCCC1(CN(Cc2ccccc2F)CCP1(O)=O)C(O)=O

BDBM50575767

NCCCCC1(CN(Cc2ccccc2Oc2ccccc2)CCP1(O)=O)C(O)=O

BDBM50144324

NCCCCCC(C(O)=O)c1cnc[nH]1

BDBM50395741

NCCCCCC(CS)C(O)=O

BDBM50395734

NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O

BDBM50395733

NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O

BDBM50395737

NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O

BDBM50575742

NCCCC[C@@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O |r|

BDBM50197541

NCCCC[C@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O |r,TLB:20:21:25.24:27|

BDBM173893

NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOCCNC1=O)cc2)C(O)=O |r|

BDBM173899

NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)C1CCCCC1)cc2)C(O)=O |r|

BDBM173897

NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O |r|

BDBM173898

NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@H](Cc3ccccc3)NC1=O)cc2)C(O)=O |r|

BDBM50089693

NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1)C(O)=O |r|

BDBM50089702

NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |r,TLB:28:23:30:27.26.29,28:27:30:24.23.22,THB:22:23:26:30.21.29,22:21:24.23.28:26,20:21:24.23.28:26|

BDBM50089707

NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1C2CC3CC(C2)CC1C3)C(O)=O |r,wD:10.10,5.4,TLB:27:22:30:26.25.28,27:26:30:23.22.21,THB:21:22:25:30.29.28,21:29:23.22.27:25,20:21:30:26.25.28,(.32,12.37,;.25,11.14,;1.54,10.3,;1.46,8.76,;2.74,7.92,;2.66,6.38,;3.95,5.53,;3.86,3.99,;2.76,3.44,;5.15,3.15,;5.06,1.61,;6.35,.77,;7.73,1.47,;7.81,3,;9.18,3.7,;10.47,2.86,;10.39,1.33,;9.02,.63,;3.69,.91,;3.62,-.32,;2.4,1.75,;1.01,1.05,;-.28,1.69,;-1.04,.44,;-1.04,-1.32,;-2.25,-2.11,;-1.85,-.7,;-2.02,.73,;-.4,-.88,;1.11,-.36,;.37,-1.59,;1.28,5.69,;1.21,4.46,;.25,6.36,)|

BDBM50089741

NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O |r|

BDBM50089694

NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O |r|

BDBM50089737

NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O |r|

BDBM50089739

NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1ccc(Cl)cc1)C(O)=O |r|

BDBM50197551

NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |r,TLB:14:15:18:22.21.20,THB:16:15:18.17.22:20,16:17:20:24.15.23,23:15:18:22.21.20,23:21:18:24.15.16|

BDBM50197540

NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |r,TLB:21:22:25:29.28.27,THB:23:22:25.24.29:27,23:24:27:31.22.30,30:22:25:29.28.27,30:28:25:31.22.23|

BDBM50197557

NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CC1C1CCCC21)C(O)=O |r,TLB:21:22:25:27.31,30:31:23.22:25,THB:28:27:23.22:25|

BDBM50197550

NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCC2CCCCC2C1)C(O)=O |r|

BDBM50197560

NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O |r|

BDBM50197533

NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)C(O)=O |r|

BDBM50197570

NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)C(O)=O |r,THB:21:22:25.26:28|

BDBM50197539

NCCCC[C@H](NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |r,TLB:21:22:25:29.28.27,THB:23:22:25.24.29:27,23:24:27:31.22.30,30:22:25:29.28.27,30:28:25:31.22.23|

BDBM50197569

NCCCC[C@H](NS(=O)(=O)N[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(O)=O |r,TLB:14:15:18:22.21.20,THB:16:15:18.17.22:20,16:17:20:24.15.23,23:15:18:22.21.20,23:21:18:24.15.16|

BDBM50197571

NCCCC[C@H](NS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O |r,TLB:21:22:26.25:28|

BDBM50197527

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

BDBM50575773

NCCCC[C@]1(CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(O)=O)C(O)=O |r|

BDBM50575774

NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O |r|

BDBM50575775

NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O |r|

BDBM50575772

NCCCC[C@]1(CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(O)=O)C(O)=O |r|

BDBM50575741

NCCCC[C@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O |r|

BDBM326365

NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1 |r|

BDBM326383

NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|

BDBM50008273

NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O |r|

BDBM50008274

NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O |r|

BDBM50008278

NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O |r|

BDBM50226614

NCCN[C@@H](Cc1cn(CC2CCC2)cn1)C(O)=O

BDBM50226611

NCCN[C@@H](Cc1cn(CCCO)cn1)C(O)=O

BDBM50226613

NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O

BDBM50226608

NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O

BDBM50226600

NCCN[C@@H](Cc1cnc[nH]1)C(O)=O

BDBM50226612

NCCN[C@H](Cc1cnc[nH]1)C(O)=O

BDBM50305348

NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O |r|

BDBM50305346

NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O |r|

BDBM50089753

N[C@H]1C[C@H](CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)NC2CC3CCC2C3)C(O)=O)C1 |r,wU:1.0,wD:3.3,10.10,(8.03,9.24,;6.97,8.62,;6.58,7.13,;5.14,7.54,;3.81,6.76,;3.82,5.22,;2.49,4.44,;2.51,2.9,;3.58,2.29,;1.18,2.11,;1.19,.57,;2.53,-.18,;2.55,-1.72,;1.22,-2.51,;1.24,-4.05,;2.58,-4.8,;3.91,-4.02,;3.89,-2.48,;-.14,-.21,;-1.21,.4,;-.12,-1.75,;-1.45,-2.53,;-2.78,-1.78,;-4.04,-2.58,;-4.01,-4.04,;-2.7,-4.79,;-1.45,-4.01,;-2.31,-2.53,;5.16,4.46,;6.22,5.08,;5.17,3.23,;5.48,9.01,)|

BDBM50144330

Nc1cc(CC(C(O)=O)c2cnc[nH]2)ccn1

BDBM50135935

Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1

BDBM50135933

Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1

BDBM50395732

Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1

BDBM173920

Nc1ccc(C[C@H](NC(=O)N[C@@H]2Cc3ccc(OCCCCOC[C@@H](NC2=O)C2CC2)cc3)C(O)=O)cn1 |r|

BDBM50144343

Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1

BDBM50201431

Nc1cccc(c1)C(CS)C(O)=O |w:7.8|

BDBM50144332

Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1Cl

BDBM50144327

Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1F

BDBM50144326

Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cn1

BDBM50395730

Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl

BDBM81904

O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1

BDBM50144347

OC(=O)C(CC1CCCNCC1)c1cnc[nH]1

BDBM50144315

OC(=O)C(CC1CCNC1)c1cnc[nH]1

BDBM50144340

OC(=O)C(CC1CCNCC1)c1cnc[nH]1

BDBM50144328

OC(=O)C(CC1CNC1)c1cnc[nH]1

BDBM50144331

OC(=O)C(CCC1CCCNCC1)c1cnc[nH]1

BDBM50144335

OC(=O)C(CCC1CCNC1)c1cnc[nH]1

BDBM50144345

OC(=O)C(CCC1CCNCC1)c1cnc[nH]1

BDBM50144344

OC(=O)C(CCC1CNC1)c1cnc[nH]1

BDBM50201434

OC(=O)C(CS)C1CCCNC1 |w:3.3,6.6|

BDBM50201428

OC(=O)C(CS)C1CCNCC1 |w:3.3|

BDBM50201437

OC(=O)C(CS)CC1CCCNC1 |w:7.6,3.5|

BDBM50201435

OC(=O)C(CS)CC1CCNCC1 |w:3.5|

BDBM50144329

OC(=O)C(Cc1ccc2nccn2c1)c1cnc[nH]1

BDBM50100009

OC(=O)C(Cc1ccccc1)c1cnc[nH]1

BDBM50575746

OC(=O)C(F)(F)F.CCCCCN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O

BDBM50575745

OC(=O)C(F)(F)F.CN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O

BDBM50575729

OC(=O)C(F)(F)F.NCCCC1(CCCCP1(O)=O)C(O)=O

BDBM50575726

OC(=O)C(F)(F)F.NCCCC1(CCCP1(O)=O)C(O)=O

BDBM50575738

OC(=O)C(F)(F)F.NCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575735

OC(=O)C(F)(F)F.NCCCCC1(CCCCCCP1(O)=O)C(O)=O

BDBM50575733

OC(=O)C(F)(F)F.NCCCCC1(CCCCCP1(O)=O)C(O)=O

BDBM50575730

OC(=O)C(F)(F)F.NCCCCC1(CCCCP1(O)=O)C(O)=O

BDBM50575727

OC(=O)C(F)(F)F.NCCCCC1(CCCP1(O)=O)C(O)=O

BDBM50575747

OC(=O)C(F)(F)F.NCCCCC1(CN(CC2CCCCC2)CCP1(O)=O)C(O)=O

BDBM50575749

OC(=O)C(F)(F)F.NCCCCC1(CN(CCCc2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575748

OC(=O)C(F)(F)F.NCCCCC1(CN(CCc2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575739

OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575752

OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O

BDBM50575751

OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2cccnc2)CCP1(O)=O)C(O)=O

BDBM50575753

OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O

BDBM50575750

OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccncc2)CCP1(O)=O)C(O)=O

BDBM50575754

OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccoc2)CCP1(O)=O)C(O)=O

BDBM50575755

OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O

BDBM50575744

OC(=O)C(F)(F)F.NCCCCC1(CNCCP1(O)=O)C(O)=O

BDBM50575737

OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCCP1(O)=O)C(O)=O

BDBM50575736

OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCP1(O)=O)C(O)=O

BDBM50575734

OC(=O)C(F)(F)F.NCCCCCC1(CCCCCP1(O)=O)C(O)=O

BDBM50575731

OC(=O)C(F)(F)F.NCCCCCC1(CCCCP1(O)=O)C(O)=O

BDBM50575728

OC(=O)C(F)(F)F.NCCCCCC1(CCCP1(O)=O)C(O)=O

BDBM50575740

OC(=O)C(F)(F)F.NCCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O

BDBM50575732

OC(=O)C(F)(F)F.NCCCCCCC1(CCCCP1(O)=O)C(O)=O

BDBM50121929

OC(=O)CC(Cc1ccccc1)C(O)=O

BDBM81908

OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1

BDBM50275212

[#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O

BDBM50201438

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#6]-[#16])-[#6](-[#8])=O

BDBM50201439

[#7]\[#6](-[#7])=[#7]\c1ccc(Cl)c(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O

BDBM50201427

[#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O

BDBM50197578

[H][C@@]12C[C@@]([H])([C@H](C)[C@H](C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C |r|

BDBM50089687

[H][C@]1(NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)[C@@H](C)CC |r|

BDBM50089689

[H][C@]1(NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@H](C)CC |r|