SMILES for Histone-lysine N-methyltransferase 2A

233 SMILES Strings for Histone-lysine N-methyltransferase 2A

Compound Name

SMILES String

BDBM552953

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM553008

C[C@H]1CN(C[C@@H](C)N1C)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM553032

C[C@H]1CN(C[C@@H](C)N1C)c1cc(Cl)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM553011

C[C@H]1CN(C[C@@H](C)N1C)c1cc(C)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM553009

C[C@H]1CN(C[C@@H](C)N1C)c1cc(c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1)C(F)(F)F |r|

BDBM553005

COc1cc(N2C[C@H](C)N(C)[C@H](C)C2)c(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)cc1-c1cnc(nc1)N1CCOCC1 |r|

BDBM617497

CCOCCNC(=O)c1cn(nn1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1

BDBM617499

CC(C)COC(=O)c1cn(nn1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1

BDBM617500

COc1ccc(COC(=O)c2cn(nn2)-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)cc1

BDBM617501

CCOC(=O)[C@H](C)OC(=O)c1cn(nn1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1 |r|

BDBM617502

CN1CCC(COC(=O)c2cn(nn2)-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)CC1

BDBM617503

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)OC1(C)CCC1

BDBM617504

CN(CCCN1CCOCC1)C(=O)c1cn(nn1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1

BDBM617505

CN(CCCO)C(=O)c1cn(nn1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1

BDBM617506

C[C@H]1CN(CCN1C)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM617507

C[C@H]1CN(C[C@@H](C)N1C)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM617508

CN1CCCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617509

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617510

CC1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617511

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM617512

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(C)c(F)c(C)c1)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617513

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617514

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(c(F)c(C)c1Cl)[N+]([O-])=O)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617515

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617516

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(c1)C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617518

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(C)cc(C)c1)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617519

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(Cl)cc(Cl)c1)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617520

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(O)cc(c1)C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617521

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(O)cc(F)c1F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617522

CN1CCN(CC1)c1ccc(cc1NC(=O)c1nn(C)c2ccccc12)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617523

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1ccc(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617524

CCN(CC)C(=O)c1cn(nn1)-c1cc(NC(=O)c2cc(N)c(F)c(C)c2Cl)c(cc1F)N1C[C@H](C)N(C)[C@H](C)C1 |r|

BDBM617525

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)N1CCOCC1 |r|

BDBM617526

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)N1CCN(C)CC1 |r|

BDBM617528

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NC1CCCCC1 |r|

BDBM617529

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NC1CCOCC1 |r|

BDBM617530

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NC1CCN(C)CC1 |r|

BDBM617531

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCN(C)CC1 |r|

BDBM617532

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCC1CCCCC1 |r|

BDBM617672

CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617673

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617674

C[C@H]1CN(CCN1C)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM617675

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617676

C[C@H]1CN(C[C@@H](C)N1C)c1ccc(cc1NC(=O)c1cnc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM617677

C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1cnc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM617678

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1cnc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617679

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM617680

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cnc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM617681

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(F)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617682

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(C)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617683

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(cc1C(F)(F)F)C#N)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617684

CSc1cc(c(cn1)C(=O)Nc1cc(ccc1N1CCN(C)CC1)-n1cc(nn1)C(=O)NCCCN1CCOCC1)C(F)(F)F

BDBM617685

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(cc1C(F)(F)F)S(C)(=O)=O)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617686

COc1cc(c(cn1)C(=O)Nc1cc(ccc1N1CCN(C)CC1)-n1cc(nn1)C(=O)NCCCN1CCOCC1)C(F)(F)F

BDBM617687

CCOc1cc(c(cn1)C(=O)Nc1cc(ccc1N1CCN(C)CC1)-n1cc(nn1)C(=O)NCCCN1CCOCC1)C(F)(F)F

BDBM617688

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(N)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617689

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(Cl)cc1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617690

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(cc1Cl)C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617691

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(Cl)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617692

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(Cl)cc1N)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617693

CN(C)c1cc(Cl)ncc1C(=O)Nc1cc(ccc1N1CCN(C)CC1)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617694

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(N)cc1C)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617695

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(F)cc1C)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617696

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(C)nc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617697

CSc1ncc(C(=O)Nc2cc(ccc2N2CCN(C)CC2)-n2cc(nn2)C(=O)NCCCN2CCOCC2)c(n1)C(F)(F)F

BDBM617698

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(nc1C(F)(F)F)S(C)=O)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617699

CCOc1ncc(C(=O)Nc2cc(ccc2N2CCN(C)CC2)-n2cc(nn2)C(=O)NCCCN2CCOCC2)c(n1)C(F)(F)F

BDBM617700

COc1nc(SC)ncc1C(=O)Nc1cc(ccc1N1CCN(C)CC1)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617701

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cnc(cc1C)C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617702

CN1CCN(CC1)c1ccc(N\C=C(/N)C(=O)NCCCN2CCOCC2)cc1NC(=O)C(=N)C(\Cl)=C/C(Cl)=N

BDBM617703

CN1CCN(CC1)c1ccc(cc1NC(=O)c1nnc(Cl)cc1N)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617704

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ncc(Cl)nc1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617705

COc1cnc(C(=O)Nc2cc(ccc2N2CCN(C)CC2)-n2cc(nn2)C(=O)NCCCN2CCOCC2)c(Cl)n1

BDBM617706

COc1cnc(C(=O)Nc2cc(ccc2N2CCN(C)CC2)-n2cc(nn2)C(=O)NCCCN2CCOCC2)c(OC)n1

BDBM617707

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(Cl)nc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617708

COc1ccc(C(=O)Nc2cc(ccc2N2CCN(C)CC2)-n2cc(nn2)C(=O)NCCCN2CCOCC2)c(n1)C(F)(F)F

BDBM617709

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(nc1C(F)(F)F)C#N)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617710

COc1ccc(CNc2ccc(C(=O)Nc3cc(ccc3N3CCN(C)CC3)-n3cc(nn3)C(=O)NCCCN3CCOCC3)c(n2)C(F)(F)F)cc1

BDBM617711

CSc1ccc(C(=O)Nc2cc(ccc2N2CCN(C)CC2)-n2cc(nn2)C(=O)NCCCN2CCOCC2)c(n1)C(F)(F)F

BDBM617712

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(nc1C(F)(F)F)S(C)(=O)=O)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617713

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ncc(N)cn1)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617714

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617715

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617716

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(c(C)cc1Cl)[N+]([O-])=O)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617717

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(C)cc1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM617718

C[C@H]1CN(C[C@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cnc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)N1CCN(C)CC1 |r|

BDBM617719

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cnc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)N1CCN(C)CC1 |r|

BDBM617720

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cnc(Cl)cc1C(F)(F)F)-n1cc(nn1)C(=O)NC1CCN(C)CC1 |r|

BDBM617721

CCN(CC)C(=O)c1cn(nn1)-c1cc(NC(=O)c2cnc(Cl)cc2C(F)(F)F)c(cc1F)N1C[C@H](C)N(C)[C@H](C)C1 |r|

BDBM617722

COc1cc(c(cn1)C(=O)Nc1cc(c(F)cc1N1C[C@H](C)N(C)[C@H](C)C1)-n1cc(nn1)C(=O)NC1CCN(C)CC1)C(F)(F)F |r|

BDBM617723

COc1cc(c(cn1)C(=O)Nc1cc(c(F)cc1N1C[C@H](C)N(C)[C@H](C)C1)-n1cc(nn1)C(=O)CCCCN1CCOCC1)C(F)(F)F |r|

BDBM617724

CCN(CC)C(=O)c1cn(nn1)-c1cc(NC(=O)c2cnc(Cl)cc2Cl)c(cc1F)N1C[C@H](C)N(C)[C@H](C)C1 |r|

BDBM617725

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cnc(Cl)cc1Cl)-n1cc(nn1)C(=O)N1CCN(C)CC1 |r|

BDBM617726

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cnc(cc1Cl)C(F)(F)F)-n1cc(nn1)C(=O)NC1CCN(C)CC1 |r|

BDBM617727

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cnc(Cl)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1 |r|

BDBM725692

CC(C)c1ncncc1-c1cc(F)ccc1Oc1cncnc1N1CC2(CN(CC3CCC4(CC3)OCCO4)C2)C1

BDBM725693

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)N4)CC3)CC2)C1)C(C)C

BDBM725694

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725695

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725696

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725697

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725698

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725699

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725700

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725701

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)N4)CC3)CC2)C1)C(C)C

BDBM725702

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)C4)CC3)CC2)C1)C(C)C

BDBM725703

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)C4)CC3)CC2)C1)C1CC1

BDBM725704

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725705

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725706

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@H]3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725707

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@@H]3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725708

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CC[C@H]3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725709

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CC[C@@H]3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725710

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725711

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@H]3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725712

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725713

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725714

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C(C)C

BDBM725715

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43CCC(=O)C3)CC2)C1)C1CC1

BDBM725716

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(COC)(COC)C4)CC2)C1)C(C)C

BDBM725717

COCC1(COC)C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725718

COCC1(COC)C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725719

COCC1(COC)C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)NC1=O

BDBM725720

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C(C)C

BDBM725721

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C(C)C

BDBM725722

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C(C)C

BDBM725723

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C1CCC1

BDBM725724

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C1CCC1

BDBM725725

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C(C)C

BDBM725726

CC(C)N(C)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1

BDBM725727

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C1CC1

BDBM725728

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)(C)C4)CC2)C1)C1CCC1

BDBM725729

[2H]C([2H])([2H])C1(C)C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(CC)C(C)C)C4)CC2)CC1=O

BDBM725730

[2H]C([2H])([2H])C1(C)C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725731

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@H](COC)C4)CC2)C1)C(C)C

BDBM725732

COC[C@@H]1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725733

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@@H](COC)C4)CC2)C1)C(C)C

BDBM725734

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@H](COC)C4)CC2)C1)C(C)C

BDBM725735

COC[C@H]1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725736

COC[C@@H]1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725737

CC1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725738

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)C4)CC2)C1)C(C)C

BDBM725739

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@]4(CC3)CC(=O)C(C)C4)CC2)C1)C(C)C

BDBM725740

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C)C4)CC2)C1)C(C)C

BDBM725741

CC1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)NC1=O

BDBM725742

[2H]C([2H])([2H])C1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(CC)C(C)C)C4)CC2)CC1=O

BDBM725743

[2H]C([2H])([2H])C1C[C@]2(CC[C@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(CC)C(C)C)C4)CC2)CC1=O

BDBM725744

[2H]C([2H])([2H])C1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725745

[2H]C([2H])([2H])C1C[C@]2(CC[C@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725746

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC3CCC4(CC3)CC(=O)C3(CC3)C4)CC2)C1)C(C)C

BDBM725747

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC3CCC4(CC3)CC(=O)C3(CC3)C4)CC2)C1)C(C)C

BDBM725748

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C3(CCOCC3)C4)CC2)C1)C(C)C

BDBM725749

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC3CCC4(CC3)CC(=O)N(C)C4)CC2)C1)C(C)C

BDBM725750

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC3CCC4(CC3)CC(=O)N(C)C4)CC2)C1)C(C)C

BDBM725751

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC3CCC4(CC3)COC(=O)C4)CC2)C1)C(C)C

BDBM725752

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725753

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725754

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725755

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CC[C@@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725756

CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CC[C@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725757

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725758

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725759

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725760

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CC[C@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725761

CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC4CC[C@@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725762

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC4CCC3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725763

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC4CCC3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725764

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC4CC[C@@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725765

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC4CC[C@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725766

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC4CC[C@@H]3CC43COC(=O)C3)CC2)C1)C(C)C

BDBM725767

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(F)(F)C4)CC2)C1)C(C)C

BDBM725768

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@@H](C(C)(C)O)C4)CC2)C1)C(C)C

BDBM725769

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@H](C(C)(C)O)C4)CC2)C1)C(C)C

BDBM725770

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(C(C)(C)O)C4)CC2)C1)C(C)C

BDBM725771

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@@H](C(C)(C)O)C4)CC2)C1)C(C)C

BDBM725772

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)[C@H](C(C)(C)O)C4)CC2)C1)C(C)C

BDBM725773

CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CC3)CC(=O)C(=C(C)C)C4)CC2)C1)C(C)C

BDBM725774

CC(C)=C1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725775

CC(C)=C1C[C@]2(CC[C@@H](CN3CCC4(CC3)CN(c3ncnnc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)CC2)CC1=O

BDBM725776

CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@]4(CC3)CC(CO)(CO)C(=O)N4)CC2)C1)C(C)C

BDBM725777

CC(C)c1ncncc1-c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)C4)CC3)CC2)C1

BDBM50282115

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r,c:88,90,93|

BDBM50164787

CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@](C)(CCCCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C |r|

BDBM200723

CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r|

BDBM200722

CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r|

BDBM200712

CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccccc1)c1ccccc1 |r|

BDBM50530867

[H][C@]12Nc3ccccc3[C@]1([C@H](O)[C@]13SS[C@](C)(N(C)C1=O)C(=O)N23)[C@]12[C@H](O)[C@]34SS[C@](C)(N(C)C3=O)C(=O)N4[C@@]1([H])Nc1ccccc21 |r|

BDBM23411

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1

BDBM50572749

Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50574672

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM50581147

CN(C)C(=O)c1ccc(cc1)-c1cc(Nc2ncnc(Cl)c2N)c(cc1F)N1CCN(C)CC1

BDBM50594520

OC(=O)C1(CCN(CC1)C(=O)C=C)c1ccccc1

BDBM50594521

OC(=O)C1(CCN(CC1)C(=O)C=C)c1ccc(Cl)cc1

BDBM50594522

Cc1ccc(cc1)C1(CCN(CC1)C(=O)C=C)C(O)=O

BDBM50594523

COc1ccc(cc1)C1(CCN(CC1)C(=O)C=C)C(O)=O

BDBM50594524

CN(C)c1ccc(cc1)C1(CCN(CC1)C(=O)C=C)C(O)=O

BDBM50594525

CCOc1ccc(cc1)C1(CCN(CC1)C(=O)C=C)C(O)=O

BDBM50594526

CCOc1cccc(c1)C1(CCN(CC1)C(=O)C=C)C(O)=O

BDBM50594527

C=CC(=O)N1CCC(CC1)(c1nnn[nH]1)c1ccccc1

BDBM50594528

COc1ccc(cc1)C1(CCN(CC1)C(=O)C=C)c1nnn[nH]1

BDBM50594529

CCOc1ccc(cc1)C1(CCN(CC1)C(=O)C=C)c1nnn[nH]1

BDBM50594530

CCOc1cccc(c1)C1(CCN(CC1)C(=O)C=C)c1nnn[nH]1

BDBM50594531

C=CC(=O)N1CCC(CC1)(C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1

BDBM50594532

Clc1ccc(cc1)S(=O)(=O)NC(=O)C1(CCN(CC1)C(=O)C=C)c1ccccc1

BDBM50594533

Fc1ccc(cc1)S(=O)(=O)NC(=O)C1(CCN(CC1)C(=O)C=C)c1ccccc1

BDBM50594534

Cc1ccc(cc1)S(=O)(=O)NC(=O)C1(CCN(CC1)C(=O)C=C)c1ccccc1

BDBM50594535

COc1ccc(cc1)S(=O)(=O)NC(=O)C1(CCN(CC1)C(=O)C=C)c1ccccc1

BDBM50594536

CCS(=O)(=O)NC(=O)C1(CCN(CC1)C(=O)C=C)c1ccccc1

BDBM50601692

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(cc1)C(=O)NCCCN

BDBM50601694

Cc1ncccc1-c1cc(Cn2ccn(C)c2=O)cc(c1)C(=O)NCc1cc(Cl)cc(Cl)c1

BDBM50606100

C[C@H](Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:21|

BDBM50481596

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O |r,wU:107.112,90.95,72.76,56.60,2.2,8.8,wD:4.56,115.119,125.131,116.122,98.103,83.88,64.68,16.16,(-8.93,-6.08,;-8.93,-4.54,;-7.59,-3.77,;-6.26,-4.54,;-7.59,-2.23,;-8.93,-1.46,;-10.26,-2.23,;-10.26,-3.77,;-11.59,-1.46,;-11.59,.08,;-10.26,.85,;-8.93,.08,;-10.26,2.39,;-12.93,-2.23,;-14.26,-1.46,;-14.26,.08,;-15.6,-2.23,;-15.6,-3.77,;-14.26,-4.54,;-16.93,-1.46,;-18.26,-2.23,;-18.26,-3.77,;-19.6,-1.46,;-20.93,-2.23,;-22.27,-1.46,;-23.6,-2.23,;-23.6,-3.78,;-24.94,-1.47,;-24.94,.08,;-23.6,.85,;-23.61,2.39,;-24.94,3.15,;-26.27,2.38,;-26.27,.85,;-27.6,3.15,;-28.94,2.38,;-27.6,4.62,;-24.94,5.31,;-23.6,6.08,;-22.26,5.3,;-20.93,6.08,;-20.94,7.62,;-19.6,8.39,;-22.27,8.39,;-23.6,7.62,;-24.94,8.39,;-26.27,7.62,;-27.6,8.39,;-28.94,7.62,;-30.27,8.39,;-28.94,6.08,;-27.6,5.31,;-26.27,6.08,;-6.26,-1.46,;-6.26,.08,;-4.92,-2.23,;-3.59,-1.46,;-3.59,.08,;-2.26,.85,;-2.26,2.39,;-.92,3.16,;-2.26,-2.23,;-2.26,-3.77,;-.92,-1.46,;.41,-2.23,;.41,-3.77,;1.74,-4.54,;3.08,-3.77,;1.74,-6.08,;1.74,-1.46,;1.74,.08,;3.08,-2.23,;4.41,-1.46,;4.41,.08,;5.75,.85,;5.75,2.39,;7.08,3.16,;8.41,2.39,;8.41,.85,;7.08,.08,;5.75,-2.23,;5.75,-3.77,;7.08,-1.46,;8.41,-2.23,;8.41,-3.77,;9.75,-4.54,;7.08,-4.54,;9.75,-1.46,;9.75,.08,;11.08,-2.23,;12.42,-1.46,;12.42,.08,;13.75,.85,;13.75,2.39,;15.08,.08,;13.75,-2.23,;13.75,-3.77,;15.08,-1.46,;16.42,-2.23,;16.42,-3.77,;17.75,-4.54,;17.75,-6.08,;19.09,-6.85,;19.09,-8.39,;17.75,-1.46,;17.75,.08,;19.09,-2.23,;20.42,-1.46,;20.42,.08,;21.75,.85,;23.09,.08,;21.75,2.39,;21.75,-2.23,;21.75,-3.77,;23.09,-1.46,;24.42,-2.23,;24.42,-3.77,;23.09,-4.54,;25.76,-4.54,;25.76,-1.46,;25.76,.08,;27.09,-2.23,;27.24,-3.77,;28.73,-4.08,;29.5,-2.8,;28.48,-1.62,;28.78,-.13,;30.27,.27,;27.63,.9,)|

BDBM50481597

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50481598

BDBM50481599

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50481600

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O |r|

BDBM50481601

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O |r|

BDBM50481602

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O |r|

BDBM50616733

CC#CC(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2ncccc2C1=O |c:14|

BDBM50622285

CCN(C1CCOCC1)c1cc(CNC(=O)C=C)cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c1C

BDBM50622555

COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)N(C)C(=O)C=C

BDBM50622656

Brc1ccc(NC(=O)COC(=O)c2cc(n[nH]2)-c2ccoc2)cc1

BDBM50646696

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646707

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCOCC1

BDBM50590375

CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|

BDBM588052

CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|

BDBM50075071

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50400778

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1

BDBM50031317

OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12

BDBM50051117

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1

BDBM50009672

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

BDBM50063670

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1 |r|

BDBM50092310

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)|