SMILES for Ephrin type-A receptor 2

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(C)onc1-c1c(Cl)cccc1Cl |(-3.85,4.85,;-2.31,4.85,;-1.54,3.52,;0,3.52,;.77,2.19,;2.31,2.19,;3.08,3.52,;4.62,3.52,;5.39,4.85,;6.93,4.85,;7.7,3.52,;9.24,3.52,;6.93,2.19,;7.7,.85,;5.39,2.19,;3.08,.85,;2.31,-.48,;.77,-.48,;0,.85,;-1.54,.85,;-2.31,2.19,;-3.85,2.19,;-4.62,.85,;-6.16,.85,;-7.06,2.1,;-6.29,3.43,;-8.53,1.62,;-8.53,.08,;-7.06,-.39,;-6.67,-1.88,;-7.75,-2.97,;-9.24,-2.57,;-7.36,-4.46,;-5.87,-4.85,;-4.78,-3.77,;-5.18,-2.28,;-4.09,-1.19,)|

BDBM351511

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(F)cc2OCCOc12

BDBM351512

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(Br)cc(Br)c1

BDBM351513

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(F)cccc1F

BDBM351514

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CS(=O)(=O)c2ccccn2)no1

BDBM351515

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1ccccc1

BDBM351516

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccc2nc(cc(Cl)c2c1)C(F)(F)F

BDBM351517

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CCCN1C

BDBM351518

CCN1CCC(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1

BDBM351519

CCN1CCCC(C1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1

BDBM351520

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N(C)C

BDBM351521

CCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1

BDBM351522

CCN1CCC(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1

BDBM351523

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)C1CCCN1

BDBM351524

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCN1

BDBM351525

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(COC(=O)c2ccccc2)n1

BDBM351526

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1

BDBM351527

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc2CC(C)NCc2s1

BDBM351528

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)[C@@H]1CSCN1 |r|

BDBM351529

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCCN1

BDBM351530

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCCN1C

BDBM351531

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCNC1

BDBM351532

CCN1CCCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1

BDBM351533

CCN1CCCC(C1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1

BDBM351534

CCN1CCCC1c1noc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)n1

BDBM351535

CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1

BDBM351536

CCC1Cc2nc(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)sc2CN1

BDBM351537

CCCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1

BDBM351538

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC2CC2)CCCO1

BDBM351539

COCCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1

BDBM351540

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCO1)C(C)C

BDBM351541

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N1CCNCC1

BDBM351542

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCN1

BDBM351543

CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1

BDBM351544

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)[C@@H]1CCCN1C |r|

BDBM351545

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)[C@@H]1CCCN1C |r|

BDBM351546

CCN1CCN(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1

BDBM351547

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCN1C

BDBM351548

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCO1)C1CCCC1

BDBM351549

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCO1)C(C)C

BDBM351550

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCc2ccccc2)CCO1

BDBM351551

COCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1

BDBM351552

CCOC(=O)C(C)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1

BDBM351553

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCC=C)CCO1

BDBM351554

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCOCCO)CCO1

BDBM351555

COC(=O)CCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1

BDBM351556

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCCC#N)CCO1

BDBM50086441

CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12

BDBM378887

CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12

BDBM378888

CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1

BDBM31085

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

BDBM13533

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

BDBM31088

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

BDBM13216

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

BDBM31099

CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM31093

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

BDBM16673

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

BDBM31096

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

BDBM13534

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

BDBM21

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

BDBM50642809

CCN1CCN(Cc2ccc(NC(=O)c3cc(Cl)cc(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1

BDBM750573

CCN1CCN(Cc2ccc(NC(=O)c3cncc(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1

BDBM51935

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4cccs4)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM750575

CCN1CCN(Cc2ccc(NC(=O)c3ccnc(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1

BDBM50240779

OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|

BDBM50240780

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|

BDBM50240781

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|

BDBM50240782

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|

BDBM50246750

NC(=O)[C@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)NC(=O)CN1C[C@H](Cc2ccccc2)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)c2ccc(CSCCC1=O)cc2)C(=O)CCC1CCCCC1)C(=O)Cc1ccc2OCOc2c1)C(=O)CCC(O)=O |r|

BDBM50246758

NC(=O)CN1C[C@H](Cc2ccccc2)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)c2ccc(CSCCC1=O)cc2)C(=O)CCC1CCCCC1)C(=O)Cc1ccc2OCOc2c1)C(=O)CCC(O)=O |r|

BDBM50241992

CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1

BDBM50368452

CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C

BDBM50357312

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

BDBM50455738

Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM50460186

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)COc1ccc(F)c(Cl)c1)C(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC(=O)[C@H](CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)COc1ccc(F)c(Cl)c1)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC#C)C(=O)NCC(N)=O |r|

BDBM50460187

BDBM50466038

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

BDBM50234950

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50468252

CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)CCCc1cn(CCCCCCOC(=O)COCC(=O)O[C@H]([C@@H](NC(=O)c2ccccc2)c2ccccc2)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)OC(C)=O)nn1)C(O)=O |r,t:182|

BDBM50236238

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50468253

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)COc1ccc(F)c(Cl)c1)C(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)CCCc1cn(CCCCCOC(=O)COCC(=O)O[C@H]([C@@H](NC(=O)c2ccccc2)c2ccccc2)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)OC(C)=O)nn1)C(O)=O |r,t:180|

BDBM50428234

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:22.24,4.4,62.65,75.78,wD:8.20,29.31,34.35,49.53,57.61,69.72,87.91,(22.06,-4.02,;23.55,-3.62,;23.95,-2.13,;24.64,-4.72,;26.12,-4.31,;27.21,-5.41,;26.81,-6.89,;25.33,-7.29,;27.84,-8.03,;29.35,-7.72,;29.83,-6.25,;28.92,-5,;29.83,-3.75,;31.29,-4.23,;32.62,-3.46,;33.96,-4.23,;33.96,-5.77,;32.62,-6.54,;31.29,-5.77,;27.45,-9.52,;28.54,-10.61,;30.02,-10.21,;28.14,-12.1,;29.23,-13.19,;26.65,-12.5,;25.56,-11.41,;26.52,-2.82,;28.01,-2.43,;25.43,-1.74,;25.83,-.25,;27.32,.15,;24.74,.84,;23.26,.44,;25.14,2.34,;24.05,3.42,;24.45,4.91,;25.94,5.32,;27.03,4.22,;28.51,4.62,;28.92,6.11,;30.4,6.5,;27.82,7.2,;26.34,6.81,;22.57,3.03,;22.17,1.55,;21.48,4.12,;21.72,5.64,;20.35,6.33,;19.26,5.25,;19.95,3.88,;19.26,2.5,;20.03,1.16,;17.72,2.5,;16.95,1.16,;15.41,1.16,;14.64,2.5,;14.64,-.17,;13.1,-.17,;12.33,1.16,;12.33,-1.51,;13.1,-2.84,;10.79,-1.51,;10.02,-2.84,;10.79,-4.17,;12.33,-4.17,;10.02,-5.51,;8.48,-2.84,;7.71,-1.51,;7.71,-4.17,;6.17,-4.17,;5.4,-2.84,;6.17,-1.51,;5.4,-5.51,;6.17,-6.84,;3.86,-5.51,;3.09,-6.84,;3.86,-8.18,;3.09,-9.51,;3.86,-10.84,;3.09,-12.18,;1.55,-12.18,;.78,-13.51,;.78,-10.84,;1.55,-9.51,;1.55,-6.84,;.78,-5.51,;.78,-8.18,;-.78,-8.18,;-1.55,-6.84,;-3.09,-6.84,;-3.86,-5.51,;-5.4,-5.51,;-6.17,-4.17,;-5.4,-2.84,;-7.71,-4.17,;-1.55,-9.51,;-.78,-10.84,;-3.09,-9.51,)|

BDBM50468255

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)CCCc1cn(CCCCCCOC(=O)COCC(=O)O[C@H]([C@@H](NC(=O)c2ccccc2)c2ccccc2)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)OC(C)=O)nn1)C(O)=O |r,t:181|

BDBM50468257

BDBM50468412

CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)N4CCN(C)CC4)c3)ccc12

BDBM50499634

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

BDBM50504104

Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(NC(=O)C=C)cc1 |(12.65,-38.72,;11.4,-37.83,;9.94,-38.31,;9.03,-37.07,;9.93,-35.82,;9.6,-34.32,;10.73,-33.29,;12.2,-33.76,;13.34,-32.72,;12.53,-35.26,;11.39,-36.29,;9.47,-39.77,;10.38,-41.01,;9.48,-42.26,;8.02,-41.79,;8.01,-40.26,;6.68,-39.48,;6.68,-37.94,;5.35,-40.26,;5.35,-41.8,;6.68,-42.56,;6.68,-44.1,;11.92,-41,;12.69,-42.33,;14.23,-42.32,;15,-40.98,;16.54,-40.97,;17.3,-39.63,;16.52,-38.3,;18.84,-39.62,;19.6,-38.28,;14.21,-39.65,;12.67,-39.66,)|

BDBM50504102

Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(CNC(=O)C=C)cc1 |(28.79,-8.39,;27.54,-7.5,;26.08,-7.98,;25.16,-6.74,;26.06,-5.49,;25.74,-3.99,;26.87,-2.96,;28.34,-3.43,;29.48,-2.39,;28.66,-4.93,;27.53,-5.96,;25.61,-9.44,;26.52,-10.68,;25.62,-11.92,;24.16,-11.46,;24.15,-9.93,;22.82,-9.15,;22.82,-7.61,;21.49,-9.93,;21.49,-11.47,;22.82,-12.23,;22.82,-13.77,;28.05,-10.67,;28.83,-12,;30.37,-11.99,;31.13,-10.65,;32.67,-10.64,;33.45,-11.97,;34.99,-11.96,;35.75,-10.62,;35.77,-13.29,;37.31,-13.28,;30.35,-9.32,;28.81,-9.33,)|

BDBM2579

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

BDBM50507707

Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F

BDBM50519662

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

BDBM50520597

COc1cc(C)cc2cc(sc12)-c1cn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|

BDBM50536479

C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(nc12)-c1cnn(C)c1 |r|

BDBM50537742

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

BDBM50538238

CC(C)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(=O)CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSCc2cc3CSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)C(C)(C)NC1=O)C(C)(C)C)C(N)=O |r|

BDBM50538239

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538240

[H][C@@]12CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC2=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N |r|

BDBM50538241

[H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC2=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N |r|

BDBM50538242

[H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC2=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N |r|

BDBM50538243

[H][C@@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538244

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC2=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538245

[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC2=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538246

[H][C@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC1=O)C(C)C)C(=O)N[C@@H](C)C(N)=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r|

BDBM50538247

[H][C@@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

BDBM50538248

[H][C@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)NC1=O)C(C)C)C(=O)N[C@@H](C)C(N)=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r|

BDBM50538249

[H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(C)C)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N2)c3 |r|

BDBM50538250

[H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC1=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N2)c3 |r|

BDBM50538251

[H][C@@]12CCCN1C(=O)N[C@@H](CCC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC2=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N1)c3 |r|

BDBM50538252

[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)CNC2=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)C2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)N)C(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)NCC(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N1)c3)C(C)C |r|

BDBM50538253

[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](NC(=O)[C@]4([H])CCCN4C(=O)[C@]([H])(CSCc(c3)c1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC2=O)C(C)C)[C@H](C)O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N |r|

BDBM50538254

[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccc(O)cc4)NC2=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)c3 |r|

BDBM50538255

[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N1)c3 |r|

BDBM50538256

[H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(C)C)C(=O)N2)c3 |r|

BDBM50538257

[H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(C)C)C(=O)N2)c3 |r|

BDBM50538258

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])C[C@H](O)CN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](C)N)C(C)C |r|

BDBM50538259

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538260

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538261

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538262

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cccc3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538263

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(C)C |r|

BDBM50538264

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](C)NC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538265

[H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538266

[H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O)C(c1ccccc1)c1ccccc1 |r|

BDBM50538267

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC3CCC3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538268

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C3CCCC3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538269

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538270

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3C[C@H](O)C[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538271

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|

BDBM50538272

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CC1CCc2ccccc12)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(=O)CCN)C(C)C |r|

BDBM50538273

[H][C@]12O[C@]1(C)[C@@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@H](OC)[C@]3(O)C[C@@]([H])(OC(=O)N3)[C@@H]2C)cc(OC)c1Cl)OC(=O)[C@@H](C)N(C)C(=O)CCSSCCCC(=O)NCCC(=O)N(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]2([H])CCCN2C1=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CC1CCc2ccccc12)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(N)=O |r,t:17,19|

BDBM50538274

BDBM50551191

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(N)=O)[C@H](C)CCC(O)=O |r|

BDBM50551192

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(N)=O)[C@H](C)CCC(O)=O |r|

BDBM50551193

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCC)[C@H](C)CCC(O)=O |r|

BDBM50551194

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCCCC)[C@H](C)CCC(O)=O |r|

BDBM50551195

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCCCCCC)[C@H](C)CCC(O)=O |r|

BDBM50551196

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCCCCCCCC)[C@H](C)CCC(O)=O |r|

BDBM50551197

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NC(C)C)[C@H](C)CCC(O)=O |r|

BDBM50551198

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NC1CCCCC1)[C@H](C)CCC(O)=O |r|

BDBM50551199

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)Nc1ccccc1)[C@H](C)CCC(O)=O |r|

BDBM50234948

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(N)=O)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50551200

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(N)=O)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50551201

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50551202

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCCCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50551203

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCCCCCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50551204

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCCCCCCCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50551205

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NC(C)C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50551206

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NC1CCCCC1)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50551207

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)Nc1ccccc1)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50234957

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50563891

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

BDBM50571440

CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O

BDBM50577040

CC(C)n1cc(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]c3ncnc(N)c23)c(=O)c(c1)-c1ccc(F)cc1

BDBM50578022

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|

BDBM50588583

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588584

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588585

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Oc2ccc(O)cc2)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588586

COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(N)=O)cc1 |r|

BDBM50588587

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccc(Cl)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588588

COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(N)=O)cc1 |r|

BDBM50588589

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccc(C)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588590

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588591

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588592

COc1ccc(c(C)c1)-c1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(N)=O)cc1 |r|

BDBM50588593

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588594

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588595

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588596

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2cc(O)ccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588597

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588598

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588599

COc1ccc(C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(N)=O)cc1 |r|

BDBM50588600

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588601

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588602

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccncc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588603

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588604

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588605

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588606

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588607

BDBM50588608

BDBM50588609

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|

BDBM50588610

COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2oc3c(OC)c(O)ccc3c2C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)NCCCCC(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2oc3c(OC)c(OC)ccc3c2C)C(C)C)C(N)=O)cc1 |r|

BDBM50588611

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O |r|

BDBM50588612

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O |r|

BDBM50588613

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCCCC(=O)NCCCC[C@H](NC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O |r|

BDBM50588614

BDBM50588615

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)CCCCCn1cc(CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)CN2CCNCC2)C2CCCCC2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)CN2CCNCC2)C2CCCCC2)C(N)=O)nn1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,c:14|

BDBM50588616

BDBM15244

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

BDBM50604104

Brc1c[nH]c2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc12

BDBM50604105

ClCCC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1

BDBM50322823

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

BDBM50041978

Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4

BDBM50605384

Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br |r|

BDBM50611755

C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|

BDBM50611758

C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c12)C(=O)CC#N |r|

BDBM50618607

CNc1ncc2cc(-c3cc(F)ccc3F)c(=O)n(CCCCN)c2n1

BDBM50628739

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

BDBM50212764

CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1

BDBM50642810

CCN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1

BDBM50642811

CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1

BDBM163701

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1

BDBM50400802

c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br

BDBM50645310

COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F

BDBM50645311

COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Br

BDBM50645312

COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2OC)N3)ccc1F

BDBM50645313

COCCOc1ccc2cc1S(=O)(=O)NCCCNc1nc(ncc1-c1ccc(F)c(OC)c1)N2

BDBM50645315

O=S1(=O)NCCCNc2nc(ncc2-c2ccc(Cl)c(Cl)c2)Nc2cccc1c2

BDBM50645316

COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c(F)cc1F

BDBM50645317

COc1c(F)ccc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c1F

BDBM50645318

COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c(F)cc1Cl

BDBM50645319

COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2O)N3)ccc1F

BDBM50311316

c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl

BDBM50649172

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649173

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649174

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccnc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649175

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccsc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649176

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccoc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649177

Cc1ccc(S(=O)(=O)n2cc(C[C@@H](CC(=O)O)NC(=O)CC[C@@H](C)[C@H]3CCC4C5CC=C6C[C@@H](O)CC[C@]6(C)C5CC[C@@]43C)c3ccccc32)cc1

BDBM50649178

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649179

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649180

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649181

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649182

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649183

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649184

Cc1cccc(S(=O)(=O)n2cc(C[C@@H](CC(=O)O)NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)c3ccccc32)c1

BDBM50649185

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(N)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649186

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649187

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(C#N)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649188

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649189

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(F)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50649190

C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1cn(S(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50651033

Nc1ccccc1NC(=O)Nc1ccc(NC(=O)c2cccnc2)cc1

BDBM50651034

COc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3N)cc2)cc1

BDBM50652792

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

BDBM50652793

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

BDBM174948

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

BDBM50637407

COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12

BDBM50652797

Nc1nccn2c1c(-c1cc3cccc(Cl)c3[nH]1)nc2[C@H]1CC[C@H](C(=O)O)CC1

BDBM25121

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

BDBM50337134

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

BDBM50652893

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM209865

CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C

BDBM50306682

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

BDBM50075102

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

BDBM50299148

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

BDBM50391802

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

BDBM50343559

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1

BDBM50515041

CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C

BDBM50652973

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1

BDBM50652982

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(CCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1

BDBM50311017

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM130909

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

BDBM50255012

CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1

BDBM50255013

N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|

BDBM50255048

OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|

BDBM50255049

OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|

BDBM26145

Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1

BDBM50277623

COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C

BDBM50299218

COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C |(16.89,-42.99,;16.89,-41.45,;18.23,-40.68,;19.55,-41.45,;20.88,-40.68,;20.88,-39.14,;19.55,-38.38,;18.23,-39.15,;16.9,-38.38,;16.91,-36.84,;15.44,-36.35,;14.53,-37.6,;15.43,-38.85,;14.53,-40.09,;13.06,-39.61,;11.74,-40.37,;11.73,-41.91,;10.41,-39.61,;9.07,-40.38,;10.41,-38.07,;11.74,-37.29,;11.74,-35.75,;13.06,-38.07,;18.24,-36.06,;19.58,-36.83,;20.9,-36.05,;22.24,-36.81,;20.9,-34.51,;19.55,-33.75,;18.23,-34.53,;16.89,-33.77,)|

BDBM50305006

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

BDBM50306677

C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50306683

C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50306684

C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|

BDBM50312153

FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1

BDBM50315888

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

BDBM50308060

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

BDBM50326053

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

BDBM50300690

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

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|

BDBM4814

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

BDBM13535

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

BDBM50262685

c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5

BDBM5416

C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1

BDBM50329879

O=c1ccc(c[nH]1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1

BDBM50329881

C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1

BDBM50329882

Nc1cc(ccn1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1

BDBM50329885

Oc1ccc(cc1O)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1

BDBM50329886

NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(O)c(O)c2)cc1

BDBM50329876

NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(=O)[nH]c2)cc1

BDBM50339609

CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|

BDBM50339608

CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|

BDBM50341628

CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F

BDBM50345444

CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34

BDBM50345579

CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C

BDBM50350069

Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4scc(-c5ccccc5)c34)c(F)c2)c1=O

BDBM50026612

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

BDBM27817

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

BDBM25028

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

BDBM50128285

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

BDBM50355495

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

BDBM15138

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

BDBM60665

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

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM482158

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

BDBM25013

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

BDBM50355494

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

BDBM13530

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

BDBM50132260

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

BDBM21079

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

BDBM6568

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

BDBM50355496

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

BDBM32362

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

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM31095

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

BDBM26300

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

BDBM36409

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

BDBM50309910

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

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|

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

BDBM5931

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

BDBM50355500

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

BDBM25617

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

BDBM50161957

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

BDBM24654

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

BDBM25084

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

BDBM25628

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

BDBM24773

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

BDBM25117

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

BDBM5655

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

BDBM4779

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

BDBM50355501

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

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM50355504

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

BDBM25118

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

BDBM50237710

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

BDBM50184807

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

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50332294

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

BDBM17055

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

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

BDBM50355499

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

BDBM50193995

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

BDBM13336

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

BDBM4552

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

BDBM5447

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

BDBM50331096

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

BDBM50357884

[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|

BDBM50359359

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

BDBM50364832

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|

BDBM50364833

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|

BDBM50224883

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

BDBM50248765

Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12

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

BDBM31090

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

BDBM6866

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

BDBM50302165

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1

BDBM50302164

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1

BDBM50302163

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1

BDBM50302166

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1

BDBM50321943

NS(=O)(=O)c1ccc(Nc2nc(nc3nc[nH]c23)N2CCOCC2)cc1

BDBM50382959

COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC

BDBM50390444

C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50402020

CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O

BDBM50420996

CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1

BDBM50425862

CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|

BDBM50425863

CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|

BDBM50425864

CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|

BDBM50428062

CSCC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O |r|

BDBM50027865

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(N)=O)C(O)=O |r|

BDBM50375588

C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50027866

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H](CC(N)=O)C(O)=O |r|

BDBM50428059

C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50027867

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](Cc1ccccc1)C(O)=O |r|

BDBM50027856

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CCSC)C(O)=O |r|

BDBM50428063

C[C@H](CCC(=O)N[C@@H](CO)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50027857

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H](CC(O)=O)C(O)=O |r|

BDBM50027858

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](C(C)C)C(O)=O |r|

BDBM50027859

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)C(O)=O |r|

BDBM50027860

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](C)C(O)=O |r|

BDBM50428064

CC(C)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O |r|

BDBM50027861

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(C)=O |r|

BDBM50428065

C[C@H](CCC(=O)N[C@@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50027862

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

BDBM50027863

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O |r|

BDBM50027864

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CO)C(O)=O |r|

BDBM50428061

C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50428060

C[C@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50428220

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:73.76,4.4,62.66,22.24,wD:57.61,85.89,34.35,49.53,8.20,29.31,67.70,(35.67,-21.55,;37.15,-21.15,;37.55,-19.66,;38.24,-22.24,;39.73,-21.84,;40.82,-22.93,;40.42,-24.42,;38.93,-24.82,;41.45,-25.56,;42.96,-25.24,;43.44,-23.78,;42.53,-22.53,;43.44,-21.28,;44.9,-21.76,;46.23,-20.99,;47.57,-21.76,;47.57,-23.3,;46.23,-24.07,;44.9,-23.3,;41.05,-27.05,;42.15,-28.13,;43.63,-27.74,;41.74,-29.63,;42.83,-30.72,;40.25,-30.03,;39.17,-28.94,;40.13,-20.35,;41.61,-19.96,;39.04,-19.27,;39.44,-17.77,;40.92,-17.38,;38.35,-16.68,;36.86,-17.08,;38.75,-15.19,;37.66,-14.1,;38.06,-12.62,;39.54,-12.21,;40.64,-13.31,;42.12,-12.9,;42.52,-11.42,;44.01,-11.02,;41.43,-10.33,;39.95,-10.72,;36.17,-14.49,;35.77,-15.98,;35.08,-13.41,;35.32,-11.89,;33.95,-11.19,;32.86,-12.28,;33.56,-13.65,;32.86,-15.03,;33.63,-16.37,;31.32,-15.03,;30.55,-16.37,;29.01,-16.37,;28.24,-15.03,;28.24,-17.7,;26.7,-17.7,;25.93,-16.37,;25.93,-19.03,;26.7,-20.37,;24.39,-19.03,;23.62,-20.37,;24.39,-21.7,;22.08,-20.37,;21.31,-19.03,;21.31,-21.7,;19.77,-21.7,;19,-20.37,;19.76,-19.05,;19,-23.04,;19.77,-24.37,;17.46,-23.04,;16.69,-24.37,;17.46,-25.7,;16.69,-27.04,;17.46,-28.37,;16.69,-29.71,;15.15,-29.71,;14.38,-31.04,;14.38,-28.37,;15.15,-27.04,;15.15,-24.37,;14.38,-23.04,;14.38,-25.7,;12.83,-25.7,;12.06,-24.37,;10.52,-24.37,;9.75,-23.04,;8.21,-23.04,;7.44,-21.7,;8.21,-20.37,;5.9,-21.7,;12.06,-27.04,;12.83,-28.37,;10.52,-27.04,)|

BDBM50428221

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(O)=O |r,c:20,104,144,168,171,173,197,200,202,t:15,17,99,101,139,141,165,194|

BDBM50428222

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(O)=O |r,c:52,104,144,168,171,173,197,200,202,t:47,49,99,101,139,141,165,194|

BDBM50428223

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(O)=O |r,c:20,60,112,152,176,179,181,205,208,210,t:15,17,55,57,107,109,147,149,173,202|

BDBM50428224

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(O)=O |r,c:20,60,118,158,182,185,187,211,214,216,t:15,17,55,57,113,115,153,155,179,208|

BDBM50428225

CC(C)C[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,c:13,16,18,43,110,134,137,139,162,189,t:10,38,40,105,107,131,157,159,184,186|

BDBM50428226

BDBM50428227

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:75.79,62.65,4.4,22.24,wD:8.20,29.31,80.83,49.53,57.61,69.72,34.35,(34.48,-23.98,;34.08,-25.47,;32.6,-25.87,;35.17,-26.57,;36.66,-26.16,;37.75,-27.26,;37.35,-28.74,;35.86,-29.14,;38.38,-29.88,;39.89,-29.57,;40.36,-28.1,;39.46,-26.85,;40.36,-25.6,;41.83,-26.08,;43.16,-25.31,;44.49,-26.08,;44.49,-27.62,;43.16,-28.39,;41.83,-27.62,;37.98,-31.37,;39.07,-32.46,;40.56,-32.06,;38.67,-33.95,;39.76,-35.04,;37.18,-34.35,;36.1,-33.26,;37.06,-24.67,;38.54,-24.28,;35.97,-23.59,;36.37,-22.1,;37.85,-21.7,;35.28,-21.01,;33.79,-21.41,;35.68,-19.52,;34.59,-18.43,;34.99,-16.95,;36.47,-16.54,;36.87,-15.06,;38.36,-14.66,;39.45,-15.75,;40.93,-15.35,;39.05,-17.23,;37.56,-17.63,;33.1,-18.83,;32.7,-20.32,;32.01,-17.74,;32.25,-16.22,;30.88,-15.52,;29.79,-16.61,;30.49,-17.98,;29.79,-19.35,;30.56,-20.69,;28.25,-19.35,;27.48,-20.69,;25.94,-20.69,;25.17,-19.35,;25.17,-22.02,;23.63,-22.02,;22.86,-20.69,;22.86,-23.36,;23.63,-24.69,;21.32,-23.36,;20.55,-24.69,;21.32,-26.02,;22.86,-26.02,;20.55,-27.36,;19.01,-24.69,;18.24,-23.36,;18.24,-26.02,;16.7,-26.02,;15.93,-24.69,;16.69,-23.37,;15.93,-27.36,;16.7,-28.69,;14.39,-27.36,;13.62,-28.69,;14.39,-30.03,;12.08,-28.69,;11.31,-27.36,;11.31,-30.03,;9.77,-30.03,;9,-28.69,;7.46,-28.69,;6.69,-27.36,;5.15,-27.36,;4.38,-26.02,;5.15,-24.69,;2.84,-26.02,;9,-31.36,;9.77,-32.69,;7.46,-31.36,)|

BDBM50428228

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:62.65,74.77,4.4,22.24,wD:86.90,69.73,8.20,49.53,34.35,57.61,29.31,(37.9,-21.08,;37.5,-22.57,;36.01,-22.97,;38.59,-23.67,;40.07,-23.26,;41.16,-24.35,;40.76,-25.84,;39.28,-26.24,;41.79,-26.98,;43.3,-26.67,;43.78,-25.2,;42.87,-23.95,;43.78,-22.7,;45.25,-23.18,;46.57,-22.41,;47.91,-23.18,;47.91,-24.72,;46.57,-25.49,;45.25,-24.72,;41.4,-28.47,;42.49,-29.56,;43.98,-29.16,;42.09,-31.05,;43.18,-32.14,;40.6,-31.45,;39.51,-30.36,;40.47,-21.77,;41.96,-21.38,;39.38,-20.69,;39.78,-19.2,;41.27,-18.8,;38.69,-18.11,;37.21,-18.51,;39.09,-16.62,;38,-15.53,;38.4,-14.04,;39.89,-13.64,;40.98,-14.73,;42.46,-14.33,;42.87,-12.85,;44.35,-12.45,;41.78,-11.76,;40.29,-12.16,;36.52,-15.93,;36.12,-17.42,;35.43,-14.84,;35.67,-13.32,;34.3,-12.62,;33.21,-13.71,;33.91,-15.08,;33.21,-16.45,;33.98,-17.79,;31.67,-16.45,;30.9,-17.79,;29.36,-17.79,;28.59,-16.45,;28.59,-19.12,;27.05,-19.12,;26.28,-17.79,;26.28,-20.46,;27.05,-21.79,;24.74,-20.46,;23.97,-21.79,;24.74,-23.12,;26.26,-23.12,;23.98,-24.44,;22.43,-21.79,;21.66,-20.46,;21.66,-23.12,;20.12,-23.12,;19.35,-21.79,;19.35,-24.46,;20.12,-25.79,;17.81,-24.46,;17.04,-25.79,;17.81,-27.13,;17.04,-28.46,;15.5,-28.46,;14.73,-29.79,;15.5,-31.13,;14.73,-32.46,;17.04,-31.13,;17.81,-29.79,;15.5,-25.79,;14.73,-24.46,;14.73,-27.13,;13.19,-27.13,;12.42,-25.79,;10.88,-25.79,;10.11,-24.46,;8.57,-24.46,;7.8,-23.12,;8.57,-21.79,;6.26,-23.12,;12.42,-28.46,;13.19,-29.79,;10.88,-28.46,)|

BDBM50428229

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:22.24,4.4,63.66,76.79,wD:8.20,29.31,34.35,49.53,57.60,70.73,88.92,(16.91,-31.69,;18.4,-31.3,;18.8,-29.81,;19.49,-32.39,;20.97,-31.99,;22.06,-33.08,;21.66,-34.56,;20.18,-34.96,;22.69,-35.7,;24.2,-35.39,;24.68,-33.93,;23.77,-32.68,;24.68,-31.43,;26.15,-31.91,;27.47,-31.14,;28.81,-31.91,;28.81,-33.45,;27.47,-34.22,;26.15,-33.45,;22.3,-37.2,;23.39,-38.28,;24.88,-37.89,;22.99,-39.77,;24.08,-40.86,;21.5,-40.17,;20.41,-39.08,;21.37,-30.5,;22.86,-30.1,;20.28,-29.41,;20.68,-27.92,;22.17,-27.53,;19.59,-26.84,;18.11,-27.23,;19.99,-25.34,;18.9,-24.25,;19.31,-22.77,;20.79,-22.37,;21.88,-23.46,;23.37,-23.06,;23.77,-21.57,;25.25,-21.17,;22.68,-20.48,;21.19,-20.88,;17.42,-24.65,;17.02,-26.14,;16.33,-23.56,;16.57,-22.05,;15.2,-21.34,;14.11,-22.43,;14.81,-23.81,;14.11,-25.18,;14.88,-26.51,;12.57,-25.18,;11.8,-26.51,;10.26,-26.51,;9.49,-25.18,;9.49,-27.84,;7.95,-27.84,;7.18,-26.51,;5.64,-26.52,;7.18,-29.18,;7.95,-30.52,;5.64,-29.18,;4.87,-30.52,;5.64,-31.85,;7.18,-31.85,;4.87,-33.18,;3.33,-30.52,;2.56,-29.18,;2.56,-31.85,;1.02,-31.85,;.25,-30.52,;1.02,-29.18,;.25,-33.18,;1.02,-34.51,;-1.31,-33.18,;-2.08,-34.51,;-1.31,-35.85,;-2.08,-37.19,;-1.31,-38.52,;-2.08,-39.85,;-3.62,-39.85,;-4.39,-41.18,;-4.39,-38.52,;-3.62,-37.19,;-3.62,-34.51,;-4.39,-33.18,;-4.39,-35.85,;-5.93,-35.85,;-6.7,-34.51,;-8.24,-34.51,;-9.01,-33.18,;-10.55,-33.18,;-11.32,-31.85,;-10.55,-30.52,;-12.86,-31.85,;-6.7,-37.19,;-5.93,-38.52,;-8.24,-37.19,)|

BDBM50428230

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:22.24,4.4,63.66,76.79,53.57,wD:8.20,29.31,34.35,49.53,58.62,70.73,88.92,(61.91,-8.13,;63.45,-8.12,;63.43,-6.57,;64.23,-9.45,;65.77,-9.43,;66.55,-10.76,;65.79,-12.1,;64.25,-12.12,;66.5,-13.46,;68.04,-13.54,;68.87,-12.24,;68.3,-10.8,;69.5,-9.82,;70.79,-10.65,;72.27,-10.24,;73.38,-11.32,;72.99,-12.81,;71.5,-13.22,;70.41,-12.14,;65.75,-14.81,;66.53,-16.13,;68.07,-16.12,;65.77,-17.47,;66.55,-18.8,;64.22,-17.49,;63.45,-16.16,;66.53,-8.09,;68.06,-8.08,;65.74,-6.77,;66.51,-5.42,;68.04,-5.41,;65.72,-4.1,;64.18,-4.11,;66.48,-2.76,;65.7,-1.43,;66.46,-.09,;68,-.07,;68.78,-1.4,;70.32,-1.39,;71.08,-.05,;72.62,-.03,;70.29,1.29,;68.76,1.27,;64.16,-1.44,;63.4,-2.78,;63.38,-.11,;63.78,1.38,;62.5,2.23,;61.29,1.27,;61.84,-.19,;61.15,-1.56,;61.92,-2.9,;59.61,-1.56,;58.84,-2.9,;59.61,-4.23,;57.3,-2.9,;56.53,-1.56,;56.53,-4.23,;54.99,-4.23,;54.22,-2.9,;54.22,-5.57,;54.99,-6.9,;52.68,-5.57,;51.91,-6.9,;52.68,-8.23,;54.22,-8.23,;51.91,-9.57,;50.37,-6.9,;49.6,-5.57,;49.6,-8.23,;48.06,-8.23,;47.29,-6.9,;48.06,-5.57,;47.29,-9.57,;48.06,-10.9,;45.75,-9.57,;44.98,-10.9,;45.75,-12.24,;44.98,-13.57,;45.75,-14.9,;44.98,-16.24,;43.44,-16.24,;42.67,-17.57,;42.67,-14.9,;43.44,-13.57,;43.44,-10.9,;42.67,-9.57,;42.67,-12.24,;41.13,-12.24,;40.36,-10.9,;38.82,-10.9,;38.05,-9.57,;36.51,-9.57,;35.74,-8.23,;36.51,-6.9,;34.2,-8.23,;40.36,-13.57,;41.13,-14.9,;38.82,-13.57,)|

BDBM50428231

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:22.24,4.4,63.66,76.79,wD:8.20,29.30,35.36,50.54,58.62,70.73,88.92,(22.91,-46.51,;24.39,-46.1,;24.79,-44.62,;25.49,-47.19,;26.97,-46.79,;28.06,-47.88,;27.66,-49.36,;26.18,-49.77,;28.69,-50.51,;30.2,-50.19,;30.68,-48.73,;29.77,-47.48,;30.68,-46.23,;32.14,-46.71,;33.47,-45.94,;34.81,-46.71,;34.81,-48.25,;33.47,-49.02,;32.14,-48.25,;28.3,-52,;29.39,-53.08,;30.87,-52.69,;28.99,-54.57,;30.08,-55.66,;27.49,-54.97,;26.41,-53.88,;27.37,-45.3,;28.86,-44.9,;26.28,-44.21,;26.68,-42.72,;28.17,-42.33,;29.25,-43.42,;25.59,-41.64,;24.11,-42.03,;25.99,-40.15,;24.9,-39.05,;25.3,-37.57,;26.79,-37.17,;27.88,-38.26,;29.36,-37.86,;29.76,-36.37,;31.25,-35.97,;28.67,-35.28,;27.19,-35.68,;23.42,-39.46,;23.01,-40.94,;22.32,-38.36,;22.57,-36.85,;21.2,-36.14,;20.1,-37.23,;20.8,-38.61,;20.1,-39.98,;20.87,-41.32,;18.56,-39.98,;17.79,-41.32,;16.25,-41.32,;15.48,-39.98,;15.48,-42.64,;13.94,-42.64,;13.17,-41.32,;13.17,-43.98,;13.94,-45.32,;11.63,-43.98,;10.86,-45.32,;11.63,-46.65,;13.17,-46.65,;10.86,-47.98,;9.32,-45.32,;8.55,-43.98,;8.55,-46.65,;7.01,-46.65,;6.24,-45.32,;7.01,-43.98,;6.24,-47.98,;7.01,-49.31,;4.7,-47.98,;3.93,-49.31,;4.7,-50.65,;3.93,-51.99,;4.7,-53.32,;3.93,-54.65,;2.39,-54.65,;1.62,-55.98,;1.62,-53.32,;2.39,-51.99,;2.39,-49.31,;1.62,-47.98,;1.62,-50.65,;.08,-50.65,;-.7,-49.31,;-2.24,-49.31,;-3.01,-47.98,;-4.55,-47.98,;-5.32,-46.65,;-4.55,-45.32,;-6.86,-46.65,;-.7,-51.99,;.08,-53.32,;-2.24,-51.99,)|

BDBM50428232

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:59.63,40.42,3.3,72.75,wD:45.59,35.37,23.33,16.15,7.7,66.69,84.88,(52.54,-23.15,;51,-23.15,;50.23,-24.49,;50.23,-21.82,;51,-20.48,;52.54,-20.48,;53.31,-21.82,;53.31,-19.15,;52.54,-17.82,;54.85,-19.15,;55.62,-17.82,;54.85,-16.48,;57.16,-17.82,;57.93,-16.48,;59.47,-16.48,;60.24,-17.82,;60.17,-15.11,;59.47,-13.74,;60.56,-12.65,;61.93,-13.35,;61.69,-14.87,;62.78,-15.96,;62.38,-17.44,;64.26,-15.56,;64.66,-14.07,;66.15,-13.67,;67.24,-14.76,;68.72,-14.36,;69.13,-12.88,;70.61,-12.48,;68.03,-11.79,;66.55,-12.19,;65.35,-16.65,;64.95,-18.14,;63.47,-18.53,;66.04,-19.22,;67.53,-18.83,;65.64,-20.72,;66.73,-21.8,;68.22,-21.41,;66.33,-23.29,;64.85,-23.69,;67.42,-24.38,;67.02,-25.87,;65.54,-26.27,;68.05,-27.01,;69.56,-26.69,;70.04,-25.23,;69.13,-23.98,;70.04,-22.73,;71.51,-23.21,;72.83,-22.44,;74.17,-23.21,;74.17,-24.75,;72.83,-25.52,;71.51,-24.75,;67.66,-28.5,;68.75,-29.58,;70.23,-29.19,;68.35,-31.08,;69.44,-32.17,;66.86,-31.48,;65.77,-30.39,;48.69,-21.82,;47.92,-20.48,;47.92,-23.15,;46.38,-23.15,;45.61,-21.82,;46.38,-20.48,;45.61,-24.49,;46.38,-25.82,;44.07,-24.49,;43.3,-25.82,;44.07,-27.15,;43.3,-28.49,;44.07,-29.82,;43.3,-31.16,;41.76,-31.16,;40.99,-32.49,;40.99,-29.82,;41.76,-28.49,;41.76,-25.82,;40.99,-24.49,;40.99,-27.15,;39.45,-27.15,;38.68,-25.82,;37.14,-25.82,;36.37,-24.49,;34.83,-24.49,;34.06,-23.15,;34.83,-21.82,;32.52,-23.15,;38.68,-28.49,;39.45,-29.82,;37.14,-28.49,)|

BDBM50428233

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:22.25,4.4,61.64,74.77,wD:8.20,28.30,33.34,48.52,56.60,68.71,86.90,(67.75,-4.48,;69.25,-4.08,;69.65,-2.6,;70.33,-5.17,;71.82,-4.77,;72.91,-5.86,;72.52,-7.35,;71.03,-7.74,;73.54,-8.5,;75.05,-8.18,;75.53,-6.71,;74.63,-5.46,;75.53,-4.22,;76.99,-4.69,;78.33,-3.92,;79.66,-4.69,;79.66,-6.23,;78.33,-7,;76.99,-6.23,;73.14,-9.98,;74.24,-11.07,;75.72,-10.68,;73.84,-12.56,;72.35,-12.96,;74.92,-13.66,;72.22,-3.28,;73.71,-2.89,;71.13,-2.2,;71.53,-.71,;73.03,-.3,;70.44,.38,;68.95,-.02,;70.84,1.88,;69.75,2.97,;70.15,4.46,;71.64,4.86,;72.73,3.76,;74.22,4.17,;74.62,5.66,;76.11,6.05,;73.52,6.74,;72.04,6.35,;68.27,2.57,;67.87,1.09,;67.17,3.66,;67.41,5.19,;66.04,5.87,;64.96,4.79,;65.65,3.42,;64.96,2.04,;65.72,.7,;63.42,2.04,;62.64,.7,;61.1,.7,;60.33,2.04,;60.33,-.63,;58.79,-.63,;58.02,.7,;58.02,-1.97,;58.79,-3.3,;56.48,-1.97,;55.71,-3.3,;56.48,-4.63,;58.02,-4.63,;55.71,-5.97,;54.17,-3.3,;53.39,-1.97,;53.39,-4.63,;51.85,-4.63,;51.09,-3.3,;51.85,-1.97,;51.09,-5.97,;51.85,-7.31,;49.55,-5.97,;48.77,-7.31,;49.55,-8.64,;48.77,-9.97,;49.55,-11.31,;48.77,-12.64,;47.23,-12.64,;46.46,-13.97,;46.46,-11.31,;47.23,-9.97,;47.23,-7.31,;46.46,-5.97,;46.46,-8.64,;44.92,-8.64,;44.15,-7.31,;42.61,-7.31,;41.84,-5.97,;40.3,-5.97,;39.52,-4.63,;40.3,-3.3,;37.98,-4.63,;44.15,-9.97,;44.92,-11.31,;42.61,-9.97,)|

BDBM50429867

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

BDBM50007744

Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl

BDBM50007745

Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl

BDBM50020165

Nc1ncnc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12

BDBM50021618

CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|

BDBM50021626

CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1

BDBM50048357

c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N

BDBM50048362

Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50048364

OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1

BDBM50048365

c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2

BDBM50048374

CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1

BDBM50057716

COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CN(CCO1)C(=O)OC(C)(C)C

BDBM50057717

COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CNCCO1

BDBM50057718

COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CN(C)CCO1

BDBM50057720

COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCC1CN(CCO1)C(=O)OC(C)(C)C

BDBM50057721

COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCC1CNCCO1

BDBM50057722

COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCC1CN(C)CCO1

BDBM50057724

COc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCC1CN(CCO1)C(=O)OC(C)(C)C

BDBM50057726

COc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCC1CNCCO1

BDBM50057729

COc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCC1CN(C)CCO1

BDBM50057730

COc1cc2c(Nc3ccc(F)cc3)ncnc2cc1OCC1CNCCO1

BDBM50057732

COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCC1CNCCO1

BDBM50057733

COc1cc2c(Nc3cc(Cl)cc(Cl)c3)ncnc2cc1OCC1CNCCO1

BDBM50057734

COc1cc2c(Nc3ccc(F)c(c3)C(F)(F)F)ncnc2cc1OCC1CNCCO1

BDBM50057737

COc1cc2c(Nc3ccc(F)cc3C)ncnc2cc1OCC1CNCCO1

BDBM50057740

COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CNCCO1

BDBM50057741

COc1cc2c(Nc3ccc(Cl)c(c3)C(F)(F)F)ncnc2cc1OCC1CNCCO1

BDBM50057744

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CNCCO1

BDBM50057747

COc1cc2c(Nc3ccc(Br)cc3Cl)ncnc2cc1OCC1CNCCO1

BDBM50057748

COc1cc2c(Nc3ccc(Br)c(C)c3)ncnc2cc1OCC1CNCCO1

BDBM50079565

Fc1ccc2ccn(-c3ccc(=O)n(CCOc4ccnc5cc(OCCCN6CCOCC6)ccc45)n3)c2c1

BDBM50095952

NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|

BDBM50096279

CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C

BDBM138348

c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F

BDBM50135286

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

BDBM50143216

Cn1cc(cn1)-c1cnc(Nc2cccc(Cn3nc(ccc3=O)-c3cnn(C)c3)c2)nc1

BDBM50166350

CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1

BDBM50166569

CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl

BDBM50182493

CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21

BDBM50189787

C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(ccc4[nH]3)N3CCN(C)CC3)c2c1)c1c(Cl)cncc1Cl |r|

BDBM50200534

CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1

BDBM50234947

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C\C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=N\OC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50234949

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C\C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=N\O)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50234951

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCC(O)=O |r|

BDBM50234952

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1csc2ccccc12 |r|

BDBM50234953

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50234954

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1cccc2ccccc12 |r|

BDBM50234955

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1ccccc1 |r|

BDBM50234956

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)c1ccccc1 |r|

BDBM50234958

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM50234959

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)C(C)C |r|

BDBM50234960

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H](CCSC)CC(O)=O |r|

BDBM50375593

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

BDBM50234961

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|

BDBM206104

COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12