SMILES for Tyrosine-protein kinase HCK

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

BDBM385383

CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2C)cc1

BDBM385384

COCCOc1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2Cl)cc1

BDBM385385

COCCOc1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2C)cc1

BDBM385386

Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1

BDBM387839

CN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM387840

CN(C)CCN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184769

CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184770

CN(C)CC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184772

CN(C)CCC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184766

CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1

BDBM387845

CN(C)C1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1

BDBM387846

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CN(C)C)CC2)c2ncnc(N)c12

BDBM50184767

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184776

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12

BDBM50184777

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12

BDBM50184780

COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184781

COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184778

COc1cc(ccc1NC(=O)NC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184782

CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1

BDBM50184785

CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1

BDBM50184784

CN(C)C1CCN(CCn2nc(-c3ccc(CC(O)=O)cc3)c3c(N)ncnc23)CC1

BDBM50184786

COc1cc(ccc1CC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM387854

COc1cc(ccc1Cc1ncc(C)o1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM387836

COC1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)c3c(N)ncnc23)CC1

BDBM13216

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

BDBM14807

OCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1

BDBM36544

OCCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1

BDBM36545

C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Cc1ccco1

BDBM14806

Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM26300

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

BDBM25118

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM4779

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM31090

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM31094

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

BDBM31096

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM81374

Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12 |c:8,70,73|

BDBM81375

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1

BDBM81376

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1

BDBM93207

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(Nc3ccc(OCCN)cc3)ncc2c1

BDBM47094

COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ncnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM142597

COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM142599

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C

BDBM142600

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)n(n1)-c1ccccc1

BDBM142601

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C

BDBM142602

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ncccc23)n(n1)-c1ccccc1

BDBM142603

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccccc1

BDBM142604

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

BDBM142605

Cc1nc2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O

BDBM142606

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)c(C)nc23)c2ccccc12)C(C)(C)C

BDBM142618

COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C

BDBM142619

COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C

BDBM142620

CCn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)cc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O

BDBM142621

COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C(C)C)c23)c2ccccc12)C(C)(C)C

BDBM142622

COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c(Cl)c1Cl)C(C)(C)C

BDBM142607

COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ncccc12)C(C)(C)C

BDBM142623

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ncnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C

BDBM142624

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(O)cc1

BDBM142625

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(CO)cc1

BDBM142626

COc1cc(ccc1CO)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

BDBM142627

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c(Cl)c2Cl)n(n1)-c1ccc(CO)cc1

BDBM142628

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(CO)nc1

BDBM142629

Cc1ccc(s1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

BDBM142609

COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

BDBM142631

COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

BDBM142608

COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C

BDBM142610

CNS(=O)(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

BDBM142611

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(Cl)cc1

BDBM142612

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C1CC1

BDBM142613

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C1(C)CC1

BDBM142614

CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(C)cc1

BDBM142615

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(cc1)S(C)(=O)=O

BDBM142616

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(Cl)c(Cl)c1

BDBM142617

CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

BDBM50430875

Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1

BDBM50357312

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

BDBM97672

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23

BDBM375276

CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1

BDBM375280

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F

BDBM375281

CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F

BDBM375299

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc1C(F)(F)F

BDBM375307

Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cccc(c1)C(C)(C)C#N

BDBM375308

Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cc(cc(c1)N1CCOCC1)N1CCOCC1

BDBM437992

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnoc4)c3)cc2C(F)(F)F)CC1

BDBM163700

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnn(C)c4)c3)cc2C(F)(F)F)CC1

BDBM438001

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439303

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439304

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)CC)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439305

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C5CC5)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439306

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(N)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439307

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cnn(C)c5)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439308

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439309

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cn[nH]c5)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439312

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(C)=O)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439313

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5CNC5)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439314

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439315

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NN(C)C)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439316

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn(C)n5)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439317

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5COC5)ncn4)c3)cc2C(F)(F)F)CC1

BDBM439318

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnn(C)c5)n4)c3)cc2C(F)(F)F)CC1

BDBM439319

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnoc5)n4)c3)cc2C(F)(F)F)CC1

BDBM452963

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CCCN(C1)C(=O)C(Br)=C

BDBM452964

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(Br)=C

BDBM452965

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|

BDBM452966

Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|

BDBM473171

Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473174

Nc1ncnc2n(C[C@@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473175

Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473172

Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473701

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(CN3CCOCC3)nc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r|

BDBM473746

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r|

BDBM473747

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@@H]3CCCN(C3)C(=O)C=C)n2)s1 |r|

BDBM473748

Cc1cccc(C)c1NC(=O)c1cnc(Nc2cc(CN3CCOCC3)nc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r|

BDBM473749

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@@H]3CCN(C3)C(=O)C=C)n2)s1 |r|

BDBM473750

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(NC3CCCCN(C3)C(=O)C=C)n2)s1

BDBM473751

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(NCC3CCN(C3)C(=O)C=C)n2)s1

BDBM473752

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r|

BDBM473753

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnc(NC3CCCCN(C3)C(=O)C=C)n2)s1

BDBM473754

C=CC(=O)N1CC[C@@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r|

BDBM473755

C=CC(=O)N1CC[C@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r|

BDBM473756

C=CC(=O)N1CCC[C@@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r|

BDBM473757

C=CC(=O)N1CCC[C@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r|

BDBM473758

C=CC(=O)N1CCCCC(C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1

BDBM473759

Cn1ccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1

BDBM473760

Cn1cc(Nc2nc3ccc(Oc4ccccc4)nc3s2)cn1

BDBM473761

C1CC(CCO1)n1cc(Nc2nc3ccc(Oc4ccccc4)nc3s2)cn1

BDBM473762

C1CC(CCN1)n1cc(Nc2nc3ccc(Oc4ccccc4)nc3s2)cn1

BDBM473763

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccn(CC3CCN(C3)C(=O)C=C)n2)s1

BDBM473764

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccn(CC3CCCN(C3)C(=O)C=C)n2)s1

BDBM473765

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)C=C)s1

BDBM473766

CCC(=O)N1CC[C@@H](C1)Nc1nccc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2C)n1 |r|

BDBM668499

C[C@H]1CN(CCN1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,1.0,(4.01,-9.14,;2.52,-8.74,;2.12,-7.25,;.63,-6.85,;-.46,-7.94,;-.06,-9.43,;1.43,-9.83,;.23,-5.36,;1.32,-4.27,;.92,-2.79,;-.56,-2.39,;-1.65,-3.48,;-1.25,-4.96,;-.96,-.9,;-.06,.35,;-.96,1.59,;-.56,3.08,;-1.65,4.17,;-1.25,5.66,;.23,6.05,;.63,7.54,;2.12,7.94,;3.21,6.85,;4.7,7.25,;5.09,8.74,;4.01,9.83,;2.52,9.43,;1.32,4.96,;.92,3.48,;2.01,2.39,;-2.43,1.12,;-3.76,1.89,;-3.76,3.43,;-5.09,1.12,;-5.09,-.42,;-3.76,-1.19,;-2.43,-.42,)|

BDBM668504

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(1.83,-10.57,;1.43,-9.08,;-.06,-8.68,;-.46,-7.2,;.63,-6.11,;2.12,-6.51,;2.52,-7.99,;.23,-4.62,;1.32,-3.53,;.92,-2.04,;-.56,-1.64,;-1.65,-2.73,;-1.25,-4.22,;-.96,-.16,;-.06,1.09,;-.96,2.33,;-.56,3.82,;-1.65,4.91,;-1.25,6.4,;.23,6.8,;.63,8.29,;2.12,8.68,;3.21,7.59,;4.7,7.99,;5.09,9.48,;4.01,10.57,;2.52,10.17,;1.32,5.71,;.92,4.22,;2.01,3.13,;-2.43,1.86,;-3.76,2.63,;-3.76,4.17,;-5.09,1.86,;-5.09,.32,;-3.76,-.45,;-2.43,.32,)|

BDBM668505

C[C@H]1CN(CCN1)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnn12 |r,wU:10.14,wD:7.7,1.0,(4.01,-9.14,;2.52,-8.74,;2.12,-7.25,;.63,-6.85,;-.46,-7.94,;-.06,-9.43,;1.43,-9.83,;.23,-5.36,;1.32,-4.27,;.92,-2.79,;-.56,-2.39,;-1.65,-3.48,;-1.25,-4.96,;-.96,-.9,;-.06,.35,;-.96,1.59,;-.56,3.08,;-1.65,4.17,;-1.25,5.66,;.23,6.05,;.63,7.54,;2.12,7.94,;3.21,6.85,;4.7,7.25,;5.09,8.74,;4.01,9.83,;2.52,9.43,;1.32,4.96,;.92,3.48,;2.01,2.39,;-2.43,1.12,;-3.76,1.89,;-3.76,3.43,;-5.09,1.12,;-5.09,-.42,;-3.76,-1.19,;-2.43,-.42,)|

BDBM668506

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnn12 |r,wU:10.14,wD:7.7,(1.83,-10.57,;1.43,-9.08,;-.06,-8.68,;-.46,-7.2,;.63,-6.11,;2.12,-6.51,;2.52,-7.99,;.23,-4.62,;1.32,-3.53,;.92,-2.04,;-.56,-1.64,;-1.65,-2.73,;-1.25,-4.22,;-.96,-.16,;-.06,1.09,;-.96,2.33,;-.56,3.82,;-1.65,4.91,;-1.25,6.4,;.23,6.8,;.63,8.29,;2.12,8.68,;3.21,7.59,;4.7,7.99,;5.09,9.48,;4.01,10.57,;2.52,10.17,;1.32,5.71,;.92,4.22,;2.01,3.13,;-2.43,1.86,;-3.76,2.63,;-3.76,4.17,;-5.09,1.86,;-5.09,.32,;-3.76,-.45,;-2.43,.32,)|

BDBM8793

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|

BDBM668508

C[C@H]1CN(CCN1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,1.0,(4.01,-9.14,;2.52,-8.74,;2.12,-7.25,;.63,-6.85,;-.46,-7.94,;-.06,-9.43,;1.43,-9.83,;.23,-5.36,;1.32,-4.27,;.92,-2.79,;-.56,-2.39,;-1.65,-3.48,;-1.25,-4.96,;-.96,-.9,;-.06,.35,;-.96,1.59,;-.56,3.08,;.92,3.48,;1.32,4.96,;.23,6.05,;.63,7.54,;2.12,7.94,;3.21,6.85,;4.7,7.25,;5.09,8.74,;4.01,9.83,;2.52,9.43,;-1.25,5.66,;-1.65,4.17,;-2.43,1.12,;-3.76,1.89,;-3.76,3.43,;-5.09,1.12,;-5.09,-.42,;-3.76,-1.19,;-2.43,-.42,)|

BDBM668509

C[C@H]1CN(CCN1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,1.0,(4.01,-9.14,;2.52,-8.74,;2.12,-7.25,;.63,-6.85,;-.46,-7.94,;-.06,-9.43,;1.43,-9.83,;.23,-5.36,;1.32,-4.27,;.92,-2.79,;-.56,-2.39,;-1.65,-3.48,;-1.25,-4.96,;-.96,-.9,;-.06,.35,;-.96,1.59,;-.56,3.08,;.92,3.48,;1.32,4.96,;.23,6.05,;.63,7.54,;2.12,7.94,;3.21,6.85,;4.7,7.25,;5.09,8.74,;4.01,9.83,;2.52,9.43,;-1.25,5.66,;-1.65,4.17,;-2.43,1.12,;-3.76,1.89,;-3.76,3.43,;-5.09,1.12,;-5.09,-.42,;-3.76,-1.19,;-2.43,-.42,)|

BDBM668510

C[C@@H]1CN(CCN1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,wU:10.14,1.0,wD:7.7,(4.01,-9.14,;2.52,-8.74,;2.12,-7.25,;.63,-6.85,;-.46,-7.94,;-.06,-9.43,;1.43,-9.83,;.23,-5.36,;1.32,-4.27,;.92,-2.79,;-.56,-2.39,;-1.65,-3.48,;-1.25,-4.96,;-.96,-.9,;-.06,.35,;-.96,1.59,;-.56,3.08,;-1.65,4.17,;-1.25,5.66,;.23,6.05,;.63,7.54,;2.12,7.94,;3.21,6.85,;4.7,7.25,;5.09,8.74,;4.01,9.83,;2.52,9.43,;1.32,4.96,;.92,3.48,;2.01,2.39,;-2.43,1.12,;-3.76,1.89,;-3.76,3.43,;-5.09,1.12,;-5.09,-.42,;-3.76,-1.19,;-2.43,-.42,)|

BDBM698784

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM50268912

CC(C)C[C@H](N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(O)=O |r,wU:9.12,wD:6.5,4.3,(47.66,-23.12,;47.18,-21.66,;45.67,-21.34,;48.21,-20.51,;47.73,-19.05,;46.22,-18.73,;45.74,-17.28,;46.77,-16.13,;46.29,-14.66,;44.78,-14.35,;43.76,-15.5,;44.24,-16.96,;44.3,-12.9,;45.21,-11.64,;44.29,-10.39,;44.76,-8.92,;46.26,-8.6,;46.73,-7.13,;45.69,-5.99,;46.16,-4.53,;47.66,-4.2,;48.69,-5.33,;50.2,-5,;50.66,-3.53,;49.62,-2.39,;48.12,-2.73,;44.18,-6.33,;43.72,-7.8,;42.82,-10.87,;41.48,-10.11,;41.48,-8.57,;40.15,-10.88,;40.15,-12.43,;41.49,-13.2,;42.83,-12.43,;48.75,-17.9,;50.26,-18.21,;48.27,-16.44,)|

BDBM50268913

CCOC(=O)[C@H](CC(C)C)N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:14.17,wD:11.10,5.5,(38.63,-17.41,;37.12,-17.1,;36.09,-18.25,;34.58,-17.93,;34.1,-16.47,;33.56,-19.08,;34.04,-20.54,;33.01,-21.69,;33.49,-23.15,;31.5,-21.37,;32.05,-18.76,;31.57,-17.31,;32.6,-16.16,;32.12,-14.69,;30.61,-14.38,;29.59,-15.53,;30.07,-16.99,;30.13,-12.93,;31.04,-11.67,;30.12,-10.42,;30.59,-8.95,;32.09,-8.63,;32.56,-7.17,;31.52,-6.03,;31.98,-4.56,;33.49,-4.23,;34.52,-5.36,;36.03,-5.03,;36.49,-3.57,;35.45,-2.43,;33.95,-2.76,;30.01,-6.36,;29.55,-7.83,;28.65,-10.91,;27.31,-10.14,;27.31,-8.6,;25.98,-10.91,;25.98,-12.46,;27.31,-13.23,;28.66,-12.46,)|

BDBM50268914

Cc1nnc2CN(CCn12)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:13.18,wD:10.11,(12.22,-51.66,;12.84,-50.25,;14.33,-49.93,;14.49,-48.42,;13.09,-47.8,;12.62,-46.34,;11.13,-46.03,;10.1,-47.17,;10.57,-48.62,;12.07,-48.93,;10.64,-44.58,;11.67,-43.44,;11.2,-41.97,;9.69,-41.65,;8.66,-42.81,;9.14,-44.26,;9.2,-40.2,;10.11,-38.94,;9.19,-37.69,;9.66,-36.22,;11.17,-35.91,;11.63,-34.44,;10.59,-33.3,;11.05,-31.83,;12.56,-31.5,;13.6,-32.64,;15.1,-32.3,;15.56,-30.83,;14.52,-29.7,;13.02,-30.04,;9.08,-33.63,;8.62,-35.1,;7.72,-38.18,;6.38,-37.42,;6.38,-35.88,;5.06,-38.18,;5.06,-39.73,;6.38,-40.5,;7.73,-39.73,)|

BDBM50268915

[H][C@@]1(CCNC1=O)N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:11.15,1.0,wD:8.8,(75.41,-22.35,;76.19,-21.03,;76.83,-22.43,;78.36,-22.26,;78.68,-20.75,;77.34,-19.99,;77.17,-18.46,;74.69,-20.72,;74.21,-19.26,;75.24,-18.11,;74.76,-16.64,;73.25,-16.34,;72.22,-17.49,;72.7,-18.94,;72.77,-14.88,;73.68,-13.62,;72.76,-12.37,;73.22,-10.9,;74.73,-10.58,;75.19,-9.12,;74.16,-7.98,;74.62,-6.51,;76.13,-6.18,;77.16,-7.32,;78.66,-6.99,;79.13,-5.52,;78.08,-4.38,;76.58,-4.71,;72.64,-8.31,;72.18,-9.78,;71.28,-12.86,;69.95,-12.09,;69.94,-10.55,;68.62,-12.86,;68.62,-14.41,;69.95,-15.18,;71.29,-14.41,)|

BDBM50268919

CC(C)C[C@@H](C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5

BDBM50268920

CC(C)C[C@@H](C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5

BDBM50268921

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)NCc1ccncc1 |r,wU:23.26,wD:26.33,(55.45,-12.2,;55.46,-13.74,;54.13,-14.51,;54.13,-16.06,;55.46,-16.83,;56.8,-16.06,;58.28,-16.53,;59.19,-15.27,;58.27,-14.02,;58.73,-12.55,;60.24,-12.23,;60.7,-10.77,;59.67,-9.63,;60.13,-8.16,;61.64,-7.83,;62.67,-8.97,;64.17,-8.64,;64.64,-7.17,;63.59,-6.03,;62.09,-6.36,;58.16,-9.96,;57.7,-11.43,;56.79,-14.51,;58.76,-17.99,;60.27,-18.29,;60.75,-19.76,;59.72,-20.91,;58.21,-20.59,;57.73,-19.14,;60.2,-22.36,;61.68,-22.76,;62.08,-24.24,;60.98,-25.33,;61.39,-26.81,;62.87,-27.21,;63.96,-26.11,;63.56,-24.63,)|

BDBM50268922

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)NCC(O)=O |r,wU:23.26,wD:26.33,(28.73,-10.35,;28.73,-11.89,;27.41,-12.66,;27.4,-14.21,;28.74,-14.98,;30.08,-14.21,;31.56,-14.68,;32.46,-13.42,;31.54,-12.17,;32.01,-10.7,;33.51,-10.38,;33.98,-8.92,;32.94,-7.78,;33.41,-6.31,;34.91,-5.98,;35.95,-7.11,;37.45,-6.78,;37.92,-5.32,;36.87,-4.18,;35.37,-4.51,;31.43,-8.11,;30.97,-9.58,;30.07,-12.66,;32.04,-16.13,;33.54,-16.44,;34.02,-17.91,;33,-19.06,;31.49,-18.74,;31.01,-17.28,;33.47,-20.51,;34.95,-20.91,;35.35,-22.39,;34.27,-23.48,;36.84,-22.79,)|

BDBM50268923

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N1CCN(CCO)CC1 |r,wU:23.26,wD:26.33,(17.06,-10.23,;17.07,-11.77,;15.74,-12.54,;15.74,-14.09,;17.07,-14.85,;18.41,-14.09,;19.89,-14.55,;20.8,-13.29,;19.88,-12.05,;20.35,-10.58,;21.85,-10.26,;22.32,-8.79,;21.28,-7.65,;21.74,-6.18,;23.24,-5.85,;24.28,-6.99,;25.79,-6.66,;26.25,-5.19,;25.21,-4.05,;23.71,-4.39,;19.76,-7.99,;19.31,-9.45,;18.4,-12.53,;20.38,-16.01,;21.88,-16.32,;22.36,-17.79,;21.33,-18.94,;19.82,-18.62,;19.35,-17.16,;21.81,-20.39,;20.78,-21.53,;21.25,-22.98,;22.75,-23.3,;23.22,-24.76,;22.2,-25.91,;22.67,-27.37,;23.78,-22.16,;23.31,-20.69,)|

BDBM50268924

CC(C)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.16,wD:9.9,(9.09,-24.29,;10.12,-23.15,;11.63,-23.47,;9.65,-21.68,;8.15,-21.36,;7.68,-19.91,;8.71,-18.78,;10.2,-19.09,;10.67,-20.55,;8.23,-17.32,;9.26,-16.18,;8.78,-14.71,;7.27,-14.4,;6.24,-15.55,;6.72,-17.01,;6.79,-12.95,;7.69,-11.68,;6.77,-10.43,;7.24,-8.96,;8.75,-8.65,;9.21,-7.18,;8.17,-6.04,;8.64,-4.57,;10.14,-4.24,;11.18,-5.38,;12.68,-5.04,;13.15,-3.57,;12.1,-2.44,;10.6,-2.77,;6.66,-6.37,;6.2,-7.84,;5.3,-10.92,;3.96,-10.16,;3.96,-8.62,;2.64,-10.92,;2.64,-12.47,;3.96,-13.24,;5.31,-12.47,)|

BDBM50268925

NC(=O)CN[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:8.11,wD:5.4,(48.2,-23.66,;49.28,-22.57,;50.77,-22.97,;48.88,-21.09,;47.4,-20.69,;46.93,-19.24,;47.95,-18.09,;47.47,-16.62,;45.97,-16.31,;44.94,-17.46,;45.42,-18.92,;45.49,-14.86,;46.39,-13.6,;45.47,-12.35,;45.94,-10.88,;47.44,-10.56,;47.91,-9.09,;46.87,-7.95,;47.34,-6.49,;48.84,-6.16,;49.88,-7.29,;51.38,-6.96,;51.85,-5.49,;50.8,-4.35,;49.3,-4.69,;45.36,-8.29,;44.9,-9.76,;44,-12.83,;42.66,-12.07,;42.66,-10.53,;41.34,-12.84,;41.33,-14.39,;42.67,-15.16,;44.01,-14.39,)|

BDBM50114590

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCOCC1

BDBM50268926

CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5

BDBM50269615

Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|

BDBM50451466

C[C@@H](N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(O)=O |r,wU:6.9,1.0,wD:3.2,(26.79,-27.81,;26.31,-26.36,;24.81,-26.04,;24.34,-24.58,;25.37,-23.43,;24.89,-21.97,;23.38,-21.67,;22.35,-22.81,;22.83,-24.27,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;20.08,-17.43,;20.08,-15.89,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451467

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N[C@@H](CO)C(O)=O |r,wU:23.26,26.33,wD:30.35,(20.08,-15.89,;20.08,-17.43,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;23.38,-21.67,;22.35,-22.81,;22.83,-24.27,;24.34,-24.58,;25.37,-23.43,;24.89,-21.97,;24.81,-26.04,;26.31,-26.36,;26.79,-27.81,;25.77,-28.95,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451468

[H][C@@]1(CCOC1=O)N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:11.15,8.8,1.0,(25.23,-27.44,;26.32,-26.36,;26.95,-27.76,;28.48,-27.6,;28.79,-26.1,;27.46,-25.33,;27.3,-23.81,;24.82,-26.05,;24.35,-24.59,;22.84,-24.28,;22.36,-22.82,;23.39,-21.67,;24.9,-21.97,;25.38,-23.44,;22.9,-20.21,;23.81,-18.96,;22.89,-17.71,;23.36,-16.25,;24.87,-15.93,;25.33,-14.46,;24.29,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.33,;29.26,-10.86,;28.22,-9.72,;26.72,-10.06,;22.78,-13.66,;22.32,-15.13,;21.42,-18.2,;20.09,-17.44,;20.08,-15.9,;18.76,-18.21,;18.76,-19.75,;20.09,-20.52,;21.43,-19.75,)|

BDBM50451469

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N1CCC[C@@H]1C(O)=O |r,wU:23.26,33.39,wD:26.33,(20.08,-15.9,;20.09,-17.44,;18.77,-18.21,;18.76,-19.76,;20.09,-20.52,;21.43,-19.75,;22.9,-20.21,;23.81,-18.96,;22.89,-17.71,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.78,-13.66,;22.33,-15.13,;21.43,-18.2,;23.39,-21.68,;24.9,-21.97,;25.38,-23.44,;24.35,-24.6,;22.84,-24.28,;22.36,-22.82,;24.82,-26.05,;23.93,-27.29,;24.84,-28.53,;26.3,-28.06,;26.29,-26.52,;27.53,-25.62,;28.93,-26.24,;27.36,-24.1,)|

BDBM50451470

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N[C@H](Cc1ccccc1)C(O)=O |r,wU:23.26,30.35,wD:26.33,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;24.91,-21.98,;25.39,-23.45,;24.36,-24.6,;22.85,-24.29,;22.37,-22.83,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|

BDBM50451471

CC(C)CCN[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:9.12,wD:6.5,(28.78,-29.59,;28.3,-28.14,;29.32,-27,;26.8,-27.82,;26.32,-26.37,;24.82,-26.05,;24.35,-24.6,;25.38,-23.44,;24.9,-21.97,;23.39,-21.68,;22.36,-22.82,;22.84,-24.28,;22.9,-20.21,;23.81,-18.96,;22.89,-17.71,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.78,-13.66,;22.33,-15.13,;21.43,-18.2,;20.09,-17.44,;20.08,-15.9,;18.77,-18.21,;18.76,-19.76,;20.09,-20.52,;21.43,-19.75,)|

BDBM50451472

CC(C)CCN[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:9.12,6.5,(28.78,-29.59,;28.3,-28.14,;29.32,-27,;26.8,-27.82,;26.32,-26.37,;24.82,-26.05,;24.35,-24.6,;22.84,-24.28,;22.36,-22.82,;23.39,-21.68,;24.9,-21.97,;25.38,-23.44,;22.9,-20.21,;23.81,-18.96,;22.89,-17.71,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.78,-13.66,;22.33,-15.13,;21.43,-18.2,;20.09,-17.44,;20.08,-15.9,;18.77,-18.21,;18.76,-19.76,;20.09,-20.52,;21.43,-19.75,)|

BDBM50451473

CC(C)C[C@H](N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(O)=O |r,wU:9.12,6.5,wD:4.3,(28.78,-29.6,;28.3,-28.14,;29.32,-27,;26.8,-27.82,;26.33,-26.37,;24.83,-26.05,;24.35,-24.6,;22.84,-24.28,;22.36,-22.82,;23.4,-21.68,;24.9,-21.98,;25.38,-23.44,;22.91,-20.21,;23.81,-18.96,;22.89,-17.72,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.79,-13.66,;22.33,-15.13,;21.43,-18.21,;20.09,-17.44,;20.08,-15.9,;18.77,-18.21,;18.77,-19.76,;20.09,-20.52,;21.44,-19.75,;27.35,-25.23,;28.85,-25.54,;26.87,-23.77,)|

BDBM50451474

CC(C)C[C@@H](N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(O)=O |r,wU:9.12,4.3,wD:6.5,(28.78,-29.6,;28.3,-28.14,;29.32,-27,;26.8,-27.82,;26.33,-26.37,;24.83,-26.05,;24.35,-24.6,;25.38,-23.44,;24.9,-21.98,;23.4,-21.68,;22.36,-22.82,;22.84,-24.28,;22.91,-20.21,;23.81,-18.96,;22.89,-17.72,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.79,-13.66,;22.33,-15.13,;21.43,-18.21,;20.09,-17.44,;20.08,-15.9,;18.77,-18.21,;18.77,-19.76,;20.09,-20.52,;21.44,-19.75,;27.35,-25.23,;28.85,-25.54,;26.87,-23.77,)|

BDBM50451475

CC(C)C[C@@H](N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(O)=O |r,wU:9.12,6.5,4.3,(28.78,-29.6,;28.3,-28.14,;29.32,-27,;26.8,-27.82,;26.33,-26.37,;24.83,-26.05,;24.35,-24.6,;22.84,-24.28,;22.36,-22.82,;23.4,-21.68,;24.9,-21.98,;25.38,-23.44,;22.91,-20.21,;23.81,-18.96,;22.89,-17.72,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.79,-13.66,;22.33,-15.13,;21.43,-18.21,;20.09,-17.44,;20.08,-15.9,;18.77,-18.21,;18.77,-19.76,;20.09,-20.52,;21.44,-19.75,;27.35,-25.23,;28.85,-25.54,;26.87,-23.77,)|

BDBM50451476

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NCC(O)=O |r,wU:23.26,26.33,(20.08,-15.89,;20.08,-17.43,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;23.38,-21.67,;22.35,-22.81,;22.83,-24.27,;24.34,-24.58,;25.37,-23.43,;24.89,-21.97,;24.81,-26.04,;26.31,-26.36,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451477

C[C@H](N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(O)=O |r,wU:6.9,wD:3.2,1.0,(26.79,-27.81,;26.31,-26.36,;24.81,-26.04,;24.34,-24.58,;25.37,-23.43,;24.89,-21.97,;23.38,-21.67,;22.35,-22.81,;22.83,-24.27,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;20.08,-17.43,;20.08,-15.89,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451478

C[C@H](N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(O)=O |r,wU:6.9,3.2,wD:1.0,(26.79,-27.81,;26.31,-26.36,;24.81,-26.04,;24.34,-24.58,;22.83,-24.27,;22.35,-22.81,;23.38,-21.67,;24.89,-21.97,;25.37,-23.43,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;20.08,-17.43,;20.08,-15.89,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451479

C[C@@H](N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(O)=O |r,wU:6.9,3.2,1.0,(26.79,-27.81,;26.31,-26.36,;24.81,-26.04,;24.34,-24.58,;22.83,-24.27,;22.35,-22.81,;23.38,-21.67,;24.89,-21.97,;25.37,-23.43,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;20.08,-17.43,;20.08,-15.89,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451481

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)NCCC(O)=O |r,wU:23.26,wD:26.33,(20.08,-15.89,;20.08,-17.43,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;23.38,-21.67,;24.89,-21.97,;25.37,-23.43,;24.34,-24.58,;22.83,-24.27,;22.35,-22.81,;24.81,-26.04,;26.31,-26.36,;27.34,-25.21,;28.83,-25.53,;29.86,-24.39,;29.31,-26.99,)|

BDBM50451482

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N[C@@H](CO)C(O)=O |r,wU:23.26,wD:26.33,30.35,(20.08,-15.89,;20.08,-17.43,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;23.38,-21.67,;24.89,-21.97,;25.37,-23.43,;24.34,-24.58,;22.83,-24.27,;22.35,-22.81,;24.81,-26.04,;26.31,-26.36,;26.79,-27.81,;25.77,-28.95,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451483

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N[C@H](CO)C(O)=O |r,wU:23.26,30.35,wD:26.33,(20.08,-15.89,;20.08,-17.43,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;23.38,-21.67,;24.89,-21.97,;25.37,-23.43,;24.34,-24.58,;22.83,-24.27,;22.35,-22.81,;24.81,-26.04,;26.31,-26.36,;26.79,-27.81,;25.77,-28.95,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451484

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N[C@H](CO)C(O)=O |r,wU:23.26,26.33,30.35,(20.08,-15.89,;20.08,-17.43,;18.76,-18.2,;18.76,-19.75,;20.08,-20.51,;21.43,-19.74,;22.89,-20.2,;23.8,-18.95,;22.88,-17.71,;23.35,-16.24,;24.86,-15.92,;25.33,-14.46,;24.29,-13.32,;24.75,-11.85,;26.25,-11.52,;27.29,-12.66,;28.79,-12.33,;29.25,-10.86,;28.21,-9.72,;26.71,-10.05,;22.77,-13.66,;22.32,-15.12,;21.42,-18.2,;23.38,-21.67,;22.35,-22.81,;22.83,-24.27,;24.34,-24.58,;25.37,-23.43,;24.89,-21.97,;24.81,-26.04,;26.31,-26.36,;26.79,-27.81,;25.77,-28.95,;27.34,-25.21,;28.83,-25.53,;26.86,-23.76,)|

BDBM50451485

[H][C@@]1(CCOC1=O)N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:11.15,1.0,wD:8.8,(25.23,-27.44,;26.32,-26.36,;26.95,-27.76,;28.48,-27.6,;28.79,-26.1,;27.46,-25.33,;27.3,-23.81,;24.82,-26.05,;24.35,-24.59,;25.38,-23.44,;24.9,-21.97,;23.39,-21.67,;22.36,-22.82,;22.84,-24.28,;22.9,-20.21,;23.81,-18.96,;22.89,-17.71,;23.36,-16.25,;24.87,-15.93,;25.33,-14.46,;24.29,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.33,;29.26,-10.86,;28.22,-9.72,;26.72,-10.06,;22.78,-13.66,;22.32,-15.13,;21.42,-18.2,;20.09,-17.44,;20.08,-15.9,;18.76,-18.21,;18.76,-19.75,;20.09,-20.52,;21.43,-19.75,)|

BDBM50451486

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N1CCC[C@H]1C(O)=O |r,wU:23.26,wD:26.33,33.39,(20.08,-15.9,;20.09,-17.44,;18.77,-18.21,;18.76,-19.76,;20.09,-20.52,;21.43,-19.75,;22.9,-20.21,;23.81,-18.96,;22.89,-17.71,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.78,-13.66,;22.33,-15.13,;21.43,-18.2,;23.39,-21.68,;24.9,-21.97,;25.38,-23.44,;24.35,-24.6,;22.84,-24.28,;22.36,-22.82,;24.82,-26.05,;23.93,-27.29,;24.84,-28.53,;26.3,-28.06,;26.29,-26.52,;27.53,-25.62,;28.93,-26.24,;27.36,-24.1,)|

BDBM50451487

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N1CCC[C@H]1C(O)=O |r,wU:23.26,26.33,wD:33.39,(20.08,-15.9,;20.09,-17.44,;18.77,-18.21,;18.76,-19.76,;20.09,-20.52,;21.43,-19.75,;22.9,-20.21,;23.81,-18.96,;22.89,-17.71,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.78,-13.66,;22.33,-15.13,;21.43,-18.2,;23.39,-21.68,;22.36,-22.82,;22.84,-24.28,;24.35,-24.6,;25.38,-23.44,;24.9,-21.97,;24.82,-26.05,;23.93,-27.29,;24.84,-28.53,;26.3,-28.06,;26.29,-26.52,;27.53,-25.62,;28.93,-26.24,;27.36,-24.1,)|

BDBM50451488

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N1CCC[C@@H]1C(O)=O |r,wU:23.26,26.33,33.39,(20.08,-15.9,;20.09,-17.44,;18.77,-18.21,;18.76,-19.76,;20.09,-20.52,;21.43,-19.75,;22.9,-20.21,;23.81,-18.96,;22.89,-17.71,;23.36,-16.25,;24.87,-15.93,;25.34,-14.46,;24.3,-13.33,;24.76,-11.86,;26.26,-11.52,;27.3,-12.66,;28.8,-12.34,;29.27,-10.87,;28.22,-9.72,;26.72,-10.06,;22.78,-13.66,;22.33,-15.13,;21.43,-18.2,;23.39,-21.68,;22.36,-22.82,;22.84,-24.28,;24.35,-24.6,;25.38,-23.44,;24.9,-21.97,;24.82,-26.05,;23.93,-27.29,;24.84,-28.53,;26.3,-28.06,;26.29,-26.52,;27.53,-25.62,;28.93,-26.24,;27.36,-24.1,)|

BDBM50451489

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:23.26,wD:26.33,30.35,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;24.91,-21.98,;25.39,-23.45,;24.36,-24.6,;22.85,-24.29,;22.37,-22.83,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|

BDBM50451490

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:23.26,26.33,wD:30.35,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;22.37,-22.83,;22.85,-24.29,;24.36,-24.6,;25.39,-23.45,;24.91,-21.98,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|

BDBM50451491

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N[C@H](Cc1ccccc1)C(O)=O |r,wU:23.26,26.33,30.35,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;22.37,-22.83,;22.85,-24.29,;24.36,-24.6,;25.39,-23.45,;24.91,-21.98,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|

BDBM50451499

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r,wU:23.26,wD:26.33,30.35,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;24.91,-21.98,;25.39,-23.45,;24.36,-24.6,;22.85,-24.29,;22.37,-22.83,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;32.82,-29.09,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|

BDBM50451501

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r,wU:23.26,26.33,wD:30.35,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;22.37,-22.83,;22.85,-24.29,;24.36,-24.6,;25.39,-23.45,;24.91,-21.98,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;32.8,-29.09,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|

BDBM50451502

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N[C@H](Cc1ccc(O)cc1)C(O)=O |r,wU:23.26,30.35,wD:26.33,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;24.91,-21.98,;25.39,-23.45,;24.36,-24.6,;22.85,-24.29,;22.37,-22.83,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;32.8,-29.09,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|

BDBM50451504

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N[C@H](Cc1ccc(O)cc1)C(O)=O |r,wU:23.26,26.33,30.35,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;22.37,-22.83,;22.85,-24.29,;24.36,-24.6,;25.39,-23.45,;24.91,-21.98,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;32.8,-29.09,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|

BDBM50462709

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM50466038

CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12

BDBM106870

C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|

BDBM50505542

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM2579

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50511997

Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM50514534

CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1

BDBM50516280

Nc1n[nH]c2cc(ccc12)-c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(Cl)c(c1)C(F)(F)F

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50536679

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

BDBM50536681

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

BDBM50536675

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

BDBM50536678

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM26198

CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O

BDBM50558812

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

BDBM50322535

Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C

BDBM50563891

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1

BDBM467718

Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1,4.5,;-2.28,3.77,;-3.62,4.54,;-4.95,3.77,;-6.28,4.54,;-7.62,3.77,;-8.95,4.54,;-10.28,3.77,;-10.28,2.23,;-8.95,1.46,;-7.62,2.23,;-4.95,2.23,;-3.62,1.46,;-2.28,2.23,;-.95,1.46,;-.95,-.08,;-2.28,-.85,;-2.28,-2.39,;-.95,-3.16,;.39,-2.39,;1.85,-2.87,;2.76,-1.62,;4.29,-1.65,;5.09,-.33,;5.04,-3,;6.58,-3,;7.49,-1.75,;8.95,-2.23,;8.95,-3.77,;7.49,-4.24,;10.28,-4.54,;10.28,-6.08,;11.62,-3.77,;11.62,-2.23,;1.72,-.08,;1.72,1.46,;.39,2.23,;.39,3.77,;.39,-.85,)|

BDBM13246

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1

BDBM50570681

COc1cc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc(OC)c1

BDBM50506460

Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1ccc(Cl)cc1Cl

BDBM50577406

Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50151366

C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1

BDBM14322

c1ccc2c(c1)ccc(n2)N

BDBM13268

Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM8794

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|

BDBM50595927

NC(=S)n1nc(c(\N=N\c2cccc(Cl)c2)c1O)-c1ccc(cc1)[N+]([O-])=O

BDBM50175196

CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N

BDBM50239780

COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1

BDBM50188343

CCN(CC)CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:17|

BDBM50188340

CN1CCN(CC1)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:17|

BDBM50188342

Clc1cccc(Cl)c1C1=Cc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2N2CCC(=O)N12 |t:9|

BDBM50188348

CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:12|

BDBM50195334

CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12

BDBM50614535

Cc1cc(Oc2ccccc2)ccc1-c1nn([C@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|

BDBM50614536

Cc1cc(Oc2ccccc2)cc(C)c1-c1nn([C@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r,wD:18.19,(1.35,.46,;.58,1.79,;1.37,3.12,;.61,4.46,;1.39,5.78,;2.93,5.76,;3.72,7.09,;5.27,7.08,;6.02,5.73,;5.23,4.4,;3.69,4.43,;-.93,4.47,;-1.71,3.14,;-3.25,3.14,;-.96,1.81,;-1.65,.43,;-.93,-.93,;-2.01,-2.04,;-1.75,-3.56,;-2.85,-4.63,;-2.48,-6.12,;-1,-6.55,;.11,-5.48,;-.26,-3.98,;1.59,-5.89,;1.9,-7.09,;2.7,-4.83,;3.88,-5.17,;-3.38,-1.35,;-4.81,-1.92,;-6.02,-.97,;-5.8,.55,;-4.37,1.12,;-4.2,2.34,;-3.16,.17,)|

BDBM50202736

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\C(N)=O)cnc(N)c12

BDBM50202740

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CO)cnc(N)c12

BDBM50202742

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(NC(=O)CCN3CCCC3)cnc(N)c12

BDBM50202739

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12

BDBM50202746

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(C=CCN3CCN(C)C(=O)C3)cnc(N)c12 |w:26.28|

BDBM50202748

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNS(C)(=O)=O)cnc(N)c12

BDBM50202747

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(O)=O

BDBM50202733

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)NCCN(C)C

BDBM50202752

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(NC(=O)NCCN3CCCC3)cnc(N)c12

BDBM50202753

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC(C)=O)cnc(N)c12

BDBM50202745

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)NCCN1CCCC1

BDBM50202743

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(N)cnc(N)c12

BDBM50202756

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCN(CC3)c3ccccc3)cnc(N)c12

BDBM50202755

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(CCCO)cnc(N)c12

BDBM50202751

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC(=O)Nc3ccccc3)cnc(N)c12

BDBM50202757

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2C(CN=C(N)c12)C=CC(=O)NC1CCNCC1 |w:31.35,t:30|

BDBM50202738

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN)cnc(N)c12

BDBM50202737

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,wD:33.36,(5.61,-23.77,;4.15,-23.29,;3.01,-24.32,;1.54,-23.84,;.4,-24.87,;.73,-26.38,;2.18,-26.85,;3.33,-25.82,;4.78,-26.3,;5.1,-27.8,;3.96,-28.84,;6.57,-28.28,;7.04,-29.76,;8.59,-29.75,;9.62,-30.9,;11.13,-30.57,;11.61,-29.11,;10.57,-27.96,;9.07,-28.28,;7.83,-27.37,;7.83,-25.83,;-1.07,-24.39,;-2.31,-25.31,;-3.56,-24.4,;-3.08,-22.94,;-3.85,-21.62,;-5.39,-21.62,;-6.16,-20.29,;-7.7,-20.3,;-8.47,-18.96,;-7.71,-17.63,;-8.47,-16.3,;-7.7,-14.97,;-6.16,-14.97,;-5.39,-13.64,;-5.4,-16.3,;-6.16,-17.63,;-3.09,-20.3,;-1.55,-20.29,;-.79,-21.62,;.75,-21.62,;-1.55,-22.94,)|

BDBM50202750

CCN(CC)C\C=C/c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1

BDBM50202749

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)N1CCN(C)CC1

BDBM50202754

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCN(C)CC3)cnc(N)c12

BDBM50202744

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(N)=O

BDBM50202741

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCC(O)CC3)cnc(N)c12

BDBM50202734

CCN(CC)C\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1

BDBM50202735

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|

BDBM50621890

CCOc1cc(ccc1Nc1ncc2cc(-c3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)c(=O)n(C[C@H]3CCCO3)c2n1)N1CCN(C)CC1 |r|

BDBM50621264

COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-n1cnc2cc(ccc12)-c1cnn(C)c1

BDBM50209144

COCCOCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50209156

CCOC(=O)CC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50209150

COCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50209158

CN1CCN(CC(=O)Nc2cccc-3c2Cc2c-3n[nH]c2-c2csc(c2)C#CCOc2ccccc2)CC1

BDBM50209148

COC(=O)C(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50210272

CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1

BDBM50210271

COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21

BDBM50628739

Cc1c2cc(cc1C(=O)Nc3cc(cc(c3)C4CC4)CN5CCN(CC5)C)OCCCCCCCNC(=O)c6ccc7ncc(n7n6)C#C2

BDBM50631617

COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

BDBM50646817

CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1

BDBM50647988

Cc1ccc(O)c(C)c1-c1cc(-c2cc(F)nc(N3CC[C@@H](N)C3)c2)cc(C(N)=O)c1N

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

BDBM174948

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

BDBM50256480

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

BDBM185674

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1

BDBM50391802

c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O

BDBM50185140

CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl

BDBM50175583

C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5

BDBM50142887

CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12

BDBM130909

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50263132

Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12

BDBM50255367

COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50311893

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1

BDBM50311894

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCO)ncn1

BDBM50311895

COCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311896

Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM50311897

CC(C)c1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM50311898

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(C)(C)C

BDBM50311899

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(OC(F)F)c1

BDBM50311900

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(Br)c1

BDBM50311901

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50311902

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(Cl)c1

BDBM50311903

COc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM50311904

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1ccccc1

BDBM50311905

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc2cnccc12

BDBM50311906

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(N)=O

BDBM50311907

Cc1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)ccn1

BDBM50311889

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)cc(c1)C(F)(F)F

BDBM50311890

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12

BDBM50311891

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12

BDBM50311892

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1

BDBM50311908

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1

BDBM50311909

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12

BDBM50311910

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12

BDBM50311911

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50311912

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50311913

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(NCCC#N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50311914

Cc1ccc(cc1Nc1nc2ccccc2n1-c1ncnc(N)c1C)C(=O)Nc1cccc(c1)C(F)(F)F |(22.57,6.55,;23.89,5.76,;25.23,6.5,;26.56,5.69,;26.52,4.15,;25.17,3.42,;23.86,4.22,;22.51,3.48,;22.47,1.95,;23.69,1.01,;23.19,-.44,;23.92,-1.78,;23.13,-3.09,;21.59,-3.06,;20.85,-1.71,;21.65,-.4,;21.2,1.07,;19.86,1.84,;19.86,3.38,;18.51,4.16,;17.18,3.37,;17.19,1.82,;15.86,1.05,;18.53,1.06,;18.53,-.48,;27.83,3.35,;27.8,1.81,;29.19,4.09,;30.5,3.29,;31.84,4.02,;33.16,3.23,;33.12,1.68,;31.77,.94,;30.46,1.74,;31.73,-.6,;30.38,-1.34,;33.05,-1.4,;31.72,-2.13,)|

BDBM50311915

CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50311916

Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311917

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311918

Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311919

Cc1cccc(c1)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50311940

Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311941

Cc1ccc(NC(=O)c2ccncc2Cl)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311920

CN1CCC(CC1)Oc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50311921

Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311922

Cc1ccc(NC(=O)c2cc(n[nH]2)C2CC2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311923

Cc1ccc(NC(=O)c2cc(nn2C)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311924

CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1

BDBM50311925

CN1CCN(Cc2cc(nn2C(C)(C)C)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1

BDBM50311926

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50311927

CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50311928

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(Cl)ncn1

BDBM50311929

COc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311942

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1

BDBM50311943

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCN)ncn1

BDBM50311944

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCCN)ncn1

BDBM50311930

CCN(CC)CCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311931

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311932

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311933

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCC2COCCN2)ncn1

BDBM50311934

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCC2CCCN2)ncn1

BDBM50311935

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N[C@H]2CC[C@H](N)CC2)ncn1 |r,wU:34.37,wD:37.41,(1.36,6.17,;2.68,5.37,;4.02,6.11,;5.35,5.31,;5.31,3.77,;6.62,2.97,;7.98,3.7,;8.01,5.24,;9.29,2.9,;10.64,3.64,;11.95,2.84,;11.92,1.29,;10.56,.55,;9.25,1.36,;10.52,-.99,;9.17,-1.72,;11.83,-1.79,;10.51,-2.52,;3.96,3.03,;2.65,3.84,;1.3,3.1,;1.26,1.56,;2.49,.63,;1.98,-.83,;2.71,-2.16,;1.92,-3.47,;.38,-3.44,;-.36,-2.1,;.44,-.79,;-.01,.69,;-1.35,1.45,;-2.68,.67,;-4.02,1.44,;-5.35,.66,;-6.69,1.42,;-8.01,.65,;-9.35,1.42,;-9.36,2.96,;-10.69,3.73,;-8.02,3.73,;-6.69,2.97,;-4.03,2.99,;-2.7,3.77,;-1.35,3,)|

BDBM50311936

CN1CCC(CC1)Nc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311937

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCc2ccccn2)ncn1

BDBM50311938

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(ncn1)N1CCOCC1

BDBM50311939

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1

BDBM50311953

CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

BDBM50311954

CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

BDBM50311985

CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|

BDBM50314344

Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO

BDBM50315069

CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1

BDBM50316253

CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1

BDBM50316252

COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1

BDBM50320211

CC(C)COC(=O)Nc1ccc(cc1)-c1c(C)nc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50320212

CC(C)COC(=O)Nc1ccc(c(C)c1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50320213

COc1cc(ccc1NC(=O)OCC(C)C)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50320214

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1cccc(O)c1

BDBM50320215

CN1CCN(CC1)c1ccc(cc1)-c1c(C)nn2c(N)c(cnc12)-c1cccc(O)c1

BDBM50320216

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCNCC1

BDBM50320217

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(CC1)S(C)(=O)=O

BDBM50320218

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(CC1)C(=O)CN

BDBM50320219

COCCN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)OCC(C)C)cc1

BDBM50320222

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1

BDBM50320223

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1

BDBM50320224

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)NCC2CCCCC2)cc1

BDBM50320204

CN(C1CCCCC1)C(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50320205

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1

BDBM50320206

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1

BDBM50320203

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1

BDBM50320207

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1

BDBM50320208

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1

BDBM50320209

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)NCC2CCCCC2)cc1

BDBM50320210

CN(C1CCCCC1)C(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1

BDBM50320227

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(O)cc1

BDBM50320228

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(O)cc1

BDBM50320229

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1

BDBM50320225

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1

BDBM50320226

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1

BDBM50320221

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50320220

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCOCC1

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50308060

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM16673

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM50341519

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

BDBM50354476

CSc1nc(Nc2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1

BDBM50354480

CSc1nc(Nc2ccccc2)c2cnn(CC(C)c3ccccc3)c2n1

BDBM50354481

CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1

BDBM50355393

CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM32362

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM24773

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM5931

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM50359359

CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C

BDBM50363167

Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

BDBM6866

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM50378568

CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50437405

Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCC(=O)NO

BDBM50097393

Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O

BDBM50119567

C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r|

BDBM50119568

O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r|

BDBM50119566

CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1

BDBM50119571

C=CC(=O)N1CCCC1c1ccco1

BDBM50136226

CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM14862

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCn2ccnc2)c2ccccc12)C(C)(C)C

BDBM50156124

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccccn2)c2ccccc12)C(C)(C)C

BDBM14860

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C

BDBM14840

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C

BDBM50156125

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccnc(N)c2)c2ccccc12)C(C)(C)C

BDBM50156126

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2N)c2ccccc12)C(C)(C)C

BDBM50156127

CC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156128

CC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12

BDBM50156129

COCC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12

BDBM50156130

COCC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156131

CNC(=O)c1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156132

COCCNC(=O)c1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156133

CC(=O)Nc1nccn1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12

BDBM50156134

COCCNC(=O)c1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156135

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(c2)C(=O)NCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM50156136

COC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156137

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NS(C)(=O)=O)c2)c2ccccc12)C(C)(C)C

BDBM206344

CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156144

CNC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156151

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)c3ccccc3)c2)c2ccccc12)C(C)(C)C

BDBM50156157

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)Cc3ccccc3)c2)c2ccccc12)C(C)(C)C

BDBM50156158

CN(C)CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156160

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)CN3CCOCC3)c2)c2ccccc12)C(C)(C)C

BDBM50156162

CSCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156163

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)CS(C)(=O)=O)c2)c2ccccc12)C(C)(C)C

BDBM50156164

COCC(=O)N(C)c1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM50156165

COCC(=O)Nc1cc(ccn1)C(C)Oc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12

BDBM50156169

COCC(=O)Nc1cc(ccn1)C(C)(C)Oc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12

BDBM50172492

COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1

BDBM50208911

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|