SMILES for Toll-like receptor 4

340 SMILES Strings for Toll-like receptor 4

Compound Name

SMILES String

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|

BDBM633252

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OS(O)(=O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|

BDBM633253

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)OC)OC(=O)CCCCCCCCC |r|

BDBM633254

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCC |r|

BDBM633255

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

BDBM633256

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OS(O)(=O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCC |r|

BDBM633259

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCc2ccccc2)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCc1ccccc1)OC(=O)CCCCCCCc1ccccc1 |r|

BDBM633260

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCc2ccccc2)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|

BDBM50011370

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011371

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(Cl)c1 |r|

BDBM50011372

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(CCl)c1 |r|

BDBM50011373

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC(O)=O)c1 |r|

BDBM50011374

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011375

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC(=O)CCC(O)=O)c1 |r|

BDBM50011376

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OCC)c(OC)c1 |r|

BDBM50011377

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OCCO)c1 |r|

BDBM50011378

[H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OCCCO)c1 |r|

BDBM50011379

[H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011380

[H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011381

[H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OCCCN2CCOCC2)c1 |r|

BDBM50011382

[H][C@@]12[C@@H]([C@@H](C3CCCC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011383

[H][C@@]12[C@@H]([C@@H](C3CCCC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011384

[H][C@@]12[C@@H]([C@@H](CCCC)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011385

[H][C@@]12[C@@H]([C@@H](CCCC)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011386

[H][C@@]12[C@@H]([C@@H](C(C)=O)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011387

[H][C@@]12[C@@H]([C@@H](C(=O)C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011388

[H][C@@]12[C@@H]([C@@H](COC(C)=O)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011389

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011390

[H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011391

[H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccccc12)c1ccc(OC)c(F)c1 |r|

BDBM50011392

[H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccc(C)cc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011393

[H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccc(C)cc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011399

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccc(C)cc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011400

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccccc12)c1ccc(OC)c(Cl)c1 |r|

BDBM50011401

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccccc12)c1ccc(OC)c(OC(C)=O)c1 |r|

BDBM50011402

[H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011403

[H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Cc1c2c(=O)n(C)c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011404

[H][C@@]12[C@@H]([C@@H](C3CCCC3)[C@]1([H])C(C)(C)Cc1c2c(=O)n(C)c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011405

[H][C@]12[C@H](C)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@]1([H])c1c(CC2C)c2ccccc2[nH]c1=O |r|

BDBM50011406

[H][C@]12[C@H](C)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@]1([H])c1c(OC2C)c2ccccc2[nH]c1=O |r|

BDBM50011407

[H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccc(OC)cc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011408

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccc(OC)cc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011409

[H][C@@]12O[C@@](CCC)(O[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)cc(OC)c1 |r|

BDBM50011410

[H][C@@]12O[C@@](CCC)(O[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011411

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011412

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011413

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)cc(OC)c1 |r|

BDBM50011414

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(Br)c1 |r|

BDBM50011463

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1Cl |r|

BDBM50011464

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)cc1 |r|

BDBM50011465

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1OC |r|

BDBM50011466

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(O)c(OC)c1 |r|

BDBM50011467

[H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r|

BDBM50011468

[H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50011469

[H][C@@]12[C@@H]([C@@H](C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(F)c1 |r|

BDBM50028261

[H][C@]1(O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H](COP(O)(O)=O)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](O)[C@@H]1OC |r|

BDBM50028262

BDBM50028263

[H][C@]1(O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](O)[C@@H]1OC |r|

BDBM50029086

Cl.CCCCCC(=O)O[C@@H]1[C@@H](CSCCNC(=S)NCCN(CCN)CCN)O[C@H](OC)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC |r|

BDBM50029087

Cl.[H][C@]1(O[C@H]2O[C@H](CSCCN)[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@@H]2OC(=O)CCCCC)O[C@H](CSCCN)[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC |r|

BDBM50029088

Cl.[H][C@]1(O[C@H]2O[C@H](Cn3cc(CNC(=S)NCCN)nn3)[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@@H]2OC(=O)CCCCC)O[C@H](Cn2cc(CNC(=S)NCCN)nn2)[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC |r|

BDBM50029089

Cl.[H][C@]1(O[C@H]2O[C@H](Cn3cc(CN(CCN)CCN)nn3)[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@@H]2OC(=O)CCCCC)O[C@H](Cn2cc(CN(CCN)CCN)nn2)[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC |r|

BDBM50175651

CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O

BDBM50175653

CCCCCCCCCCCCCC(=O)N[C@@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O

BDBM50175656

CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O

BDBM50175652

CCCCCCCCCCCCCC(=O)N[C@@H](COCC[C@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O

BDBM50089783

[H][C@]12Oc3c4c(C[C@]5([H])N(CC6CC6)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:17:4.5.6|

BDBM50089784

[H][C@]12Oc3c(cccc3O)[C@]11CCN(CC3CC3)C[C@@]1(O)CCC2=O |r|

BDBM50089785

[H][C@]12Cc3ccc(O)cc3[C@@]3(CCCC[C@]13O)CCN2CCCCCC |r,TLB:8:9:15:19.17.18,THB:20:19:15:9.3.2,16:15:19.17.18:9.3.2|

BDBM50089792

[H][C@]12Oc3c4c(C[C@]5([H])N(CC6CC6)CC[C@]14[C@]5(O)CC[C@@H]2O)ccc3O |r,THB:10:9:17:4.5.6|

BDBM50089793

[H][C@]12Oc3c4c(C[C@]5([H])N(CC6CC6)CC[C@]14[C@]5(O)CC[C@H]2O)ccc3O |r,THB:10:9:17:4.5.6|

BDBM50089795

[H][C@@]12Cc3ccc(O)cc3[C@]3(CCN1CC1CC1)CC(=O)CC[C@]23O |r,TLB:24:23:13.11.12:9.3.2,THB:22:23:13.11.12:9.3.2|

BDBM50089796

[H][C@]12Cc3ccc(O)cc3[C@@]3(CCCC[C@]13O)CCN2CC1CC1 |r,TLB:8:9:15:19.17.18,THB:16:15:19.17.18:9.3.2,20:19:15:9.3.2|

BDBM50089798

[H][C@@]12Cc3ccc(O)cc3[C@]3(CCN1CCCCCC)C=CCC[C@]23O |r,c:22,THB:25:24:13.11.12:9.3.2,8:9:24:13.11.12,14:13:24:9.3.2|

BDBM50089799

[H][C@]12Oc3c4c(C[C@]5([H])N(CCCC)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:17:4.5.6|

BDBM50089800

[H][C@]12Oc3c4c(C[C@]5([H])N(CCCCC)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:18:4.5.6|

BDBM50089801

[H][C@]12Oc3c4c(C[C@]5([H])N(CCCCCC)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:19:4.5.6|

BDBM50089802

[H][C@]12Oc3c4c(C[C@]5([H])N(CCCCCCC)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:20:4.5.6|

BDBM50089803

[H][C@]12Oc3c4c(C[C@]5([H])N(CCCCCCCC)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:21:4.5.6|

BDBM50089804

[H][C@]12Oc3c4c(C[C@]5([H])N(CCCCCc6ccccc6)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:24:4.5.6|

BDBM50089805

[H][C@]12Oc3c4c(C[C@]5([H])N(CCCCc6ccccc6)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:23:4.5.6|

BDBM50089806

[H][C@]12Oc3c4c(C[C@]5([H])N(CCCc6ccccc6)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:22:4.5.6|

BDBM50089824

[H][C@]12Oc3c4c(C[C@]5([H])N(CCc6ccccc6)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:21:4.5.6|

BDBM50089831

[H][C@]12Oc3c4c(C[C@]5([H])N(CCc6ccccc6F)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:22:4.5.6|

BDBM50089843

[H][C@]12Oc3c4c(CC5N(CCc6ccccc6)CC[C@]14[C@]5(O)CCC2=O)ccc3OC |r,THB:9:8:20:4.5.6|

BDBM50177119

CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(Cl)cc1F |t:5|

BDBM50274760

CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC |r|

BDBM50274720

Nc1nsc2cc(Oc3ccccc3N)ccc12

BDBM50177128

CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1Cl

BDBM50177129

CCOC(=O)C1=CCCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl |t:5|

BDBM50177145

CCOC(=O)C1=CCCC1S(=O)(=O)Nc1ccc(F)cc1Cl |t:5|

BDBM50274759

CCOC(=O)C1=CCCCC1S(=O)(=O)NC1=NCCS1 |t:5,16|

BDBM50177125

CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl |t:5|

BDBM50275658

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)C(O)=O)OC(=O)CCCCC |r|

BDBM50275659

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCC)C(O)=O)OCCCCCC |r|

BDBM50155929

CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl |r,t:5|

BDBM50180857

CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N

BDBM50180858

CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(OCCc2ccc(O)cc2)c1 |r|

BDBM50180859

Cc1ccc(CC[C@H](NC(=O)c2ccc(N)c(CCc3ccc(O)cc3)c2)C(=O)OC(C)(C)C)cc1 |r|

BDBM50180860

COc1ccc(CC[C@H](NC(=O)c2ccc(N)c(CCc3ccc(O)cc3)c2)C(=O)OC(C)(C)C)cc1 |r|

BDBM50180861

CC(C)(C)OC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 |r|

BDBM50351543

CN(C[C@@H](O)COc1ccc(Cl)cc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C |r|

BDBM50351544

CN(C[C@H](O)COc1ccc(Cl)cc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C |r|

BDBM50351545

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3cccc(Cl)c3)c2C)cc1

BDBM50351546

CCOc1ccc(OCC(CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)OC)cc1

BDBM50351548

CN(CC(O)COc1ccc(Cl)c(Cl)c1)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50351549

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cc1

BDBM50351550

CN(CC(O)COc1ccc(OCC=C)cc1)Cc1c(C)nn(Cc2ccccc2C=C)c1C

BDBM50351551

CN(CC(O)COc1ccc(Cl)cc1)Cc1c(C)nn(Cc2ccccc2C=C)c1C

BDBM50351552

CN(CC(O)COc1ccc(cc1)C(F)(F)F)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50351553

CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 |r|

BDBM50351554

CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 |r|

BDBM50351555

CN(CC(O)COc1ccc(cc1)C(F)(F)F)Cc1c(C)nn(Cc2ccccc2C(F)(F)F)c1C

BDBM50351547

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1

BDBM50351556

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3C(F)(F)F)c2C)cc1

BDBM50351557

CN(CC(O)COc1ccc(OCC=C)cc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50351558

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3C)c2C)cc1

BDBM50351559

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3F)c2C)cc1

BDBM50351560

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3)c2C)cc1

BDBM50351561

COCCc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1

BDBM50351562

CN(CC(O)COc1ccccc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50351563

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)cc1

BDBM50351564

COc1ccccc1OCC(O)CN(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50351565

CN(CC(O)COc1ccccc1)Cc1c(C)nn(Cc2ccccc2)c1C

BDBM50351566

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3OC)c2C)cc1

BDBM50351567

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3C=C)c2C)cc1

BDBM50351568

CN(CC(O)COc1ccc(cc1)C#N)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50355884

CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50355885

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|

BDBM50355886

CCCCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50355887

CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|

BDBM50355888

CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50355889

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|

BDBM50355890

CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OCCCCCCCCCCCCCCCC |r|

BDBM50239681

[O-][N+](=O)c1ccc(COc2cc3OC4(CCOCC4)C=Cc3cc2OCc2ccc(cc2)[N+]([O-])=O)cc1 |c:20|

BDBM50250403

Cn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250404

Cn1c2ccccc2c2nc(n(-c3ccccc3)c(=O)c12)S(=O)(=O)CC(=O)NC1CCCCC1

BDBM50250405

Cn1c2ccccc2c2nc(NCCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250406

Cn1c2ccccc2c2nc(OCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250407

O=C(CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1

BDBM50250408

O=c1n(c(SCCCC2CCCCC2)nc2c3ccccc3[nH]c12)-c1ccccc1

BDBM50250409

O=C(CSc1nc2c3CCCCCc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1

BDBM50250410

O=C(CSc1nc2c3CCCCc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1

BDBM50250411

Cn1c2CCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250412

Cc1c(C)c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c2n1C

BDBM50250413

Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1cccc2ccccc12

BDBM50250414

Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#C[Si](C)(C)C

BDBM50250415

Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#C

BDBM50250416

O=C(CSc1nc2cc[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1

BDBM50250417

Cn1c2ccc(Br)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250418

Cn1c2ccc(I)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250419

Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#N

BDBM50250420

Cn1c2cc(ccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#N

BDBM50250421

Cn1c2ccc(N)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250423

CCCCCCCC(=O)Nc1ccc2n(C)c3c(nc(SCC(=O)NC4CCCCC4)n(-c4ccccc4)c3=O)c2c1

BDBM50250424

Cn1c2ccc(NC(=O)CCC(O)=O)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250433

Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)-c1ccccc1

BDBM50250434

Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1ccc2ccccc2c1

BDBM50250435

Cn1c2ccccc2c2nc(NCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250436

Cn1ccc2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250437

Cn1c2cc(Br)ccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250438

Cn1c2ccc(NC(=O)c3ccccc3)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250439

Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1ccccc1

BDBM50250445

O=C(CCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1

BDBM50250446

Cn1c2CCCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

BDBM50250447

Cc1[nH]c2c(nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c2=O)c1C

BDBM50252943

[H][C@]12C[C@@H](OC(=O)\C=C(/C)C(C)C)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1CC(=O)CC[C@]21C)C(C)=O |r,t:26|

BDBM50252944

[H][C@]12C[C@@H](OC(=O)\C=C(/C)C(C)C)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@H](CC[C@]21C)OC(=O)\C=C\c1ccc(OC)cc1)C(C)=O |r,t:26|

BDBM50252945

[H][C@]12C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@H](CC[C@]21C)OC(=O)CCl)C(C)=O |r,t:28|

BDBM50252955

[H][C@]12C[C@@H](OC(=O)\C=C\c3ccccc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)C=CC1=CC(=O)C=C[C@]21C)[C@@H](C)OC(=O)c1cccnc1 |r,c:28,34,t:30|

BDBM50252957

[H][C@]12C[C@@H](OC(=O)\C=C\c3ccccc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@H](CC[C@]21C)OC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)[C@@H](C)OC(=O)c1cccnc1 |r,t:29|

BDBM50252958

[H][C@]12C[C@@H](OC(=O)\C=C\c3ccccc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@@H](O)CC[C@]21C)[C@@H](C)OC(=O)c1ccccc1O |r,t:29|

BDBM50252959

[H][C@]12C[C@@H](OC(=O)\C=C(/C)C(C)C)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@@H](Cl)CC[C@]21C)C(C)=O |r,t:26|

BDBM50252960

[H][C@]12C[C@@H](OC(=O)\C=C\c3ccccc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@H](CC[C@]21C)OC(=O)c1ccccc1)[C@@H](C)OC(=O)c1cccnc1 |r,t:29|

BDBM50255632

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCC |r|

BDBM50255625

CCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCCCC

BDBM50255626

CCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCC

BDBM50391673

[#6]-[#8]-c1ccc(\[#6]=[#6](/[#6](-[#8])=O)-[#6](-[#8])=O)cc1

BDBM50391674

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(F)cc1)\[#6](=O)-[#8]-[#6]

BDBM50391675

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(cc1)-[#6](=O)-[#8]-[#6])\[#6](=O)-[#8]-[#6]

BDBM50391676

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8]-[#6])cc1)\[#6](=O)-[#8]-[#6]

BDBM50391677

[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]1)\[#6](=O)-[#8]-[#6]

BDBM50391678

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccccc1-[#7+](-[#8-])=O)\[#6](=O)-[#8]-[#6]

BDBM50391679

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccccc1)\[#6](=O)-[#8]-[#6]

BDBM50391680

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(Cl)cc1)\[#6](=O)-[#8]-[#6]

BDBM50391681

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(cc1)-[#7](-[#6])-[#6])\[#6](=O)-[#8]-[#6]

BDBM50391682

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccccc1F)\[#6](=O)-[#8]-[#6]

BDBM50391683

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(F)cc1F)\[#6](=O)-[#8]-[#6]

BDBM50391684

[#8]-[#6](=O)-[#6](=[#6]/c1ccccc1)\[#6](-[#8])=O

BDBM50391685

COC(=O)C(Cc1ccccc1[N+]([O-])=O)C(=O)OC

BDBM50391686

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccccc1Cl)\[#6](=O)-[#8]-[#6]

BDBM50391687

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccccc1-[#8]-[#6])\[#6](=O)-[#8]-[#6]

BDBM50391688

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1cccc(F)c1)\[#6](=O)-[#8]-[#6]

BDBM50391689

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

BDBM50391690

[#8]-[#6](=O)-[#6](=[#6]/c1ccccc1-[#7+](-[#8-])=O)\[#6](-[#8])=O

BDBM50391691

[#8]-[#6](=O)-[#6](=[#6]/c1ccccc1F)\[#6](-[#8])=O

BDBM50391692

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(cc1)-[#7+](-[#8-])=O)\[#6](=O)-[#8]-[#6]

BDBM50391693

[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8]-[#6])cc1-[#8]-[#6])\[#6](=O)-[#8]-[#6]

BDBM50391694

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

BDBM50391695

COC(=O)\C=C\c1ccccc1[N+]([O-])=O

BDBM50067040

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|

BDBM50410806

[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6] |w:5.4,14.13|

BDBM50410807

CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O

BDBM50410808

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |w:11.10,20.19|

BDBM50410809

[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6] |w:4.3,13.12|

BDBM50410810

[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6] |w:7.6,16.15|

BDBM50410811

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:10.9,5.5|

BDBM50410812

[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6] |w:6.5,15.14|

BDBM50410813

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8]-[#6]-[#6]=[#6])c1-[#8]-[#6]-[#6]=[#6] |w:10.9,5.5|

BDBM50410814

[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6]-[#6] |w:8.7,17.16|

BDBM50410815

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8])c1-[#8] |w:10.9,5.5|

BDBM50410816

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |w:9.8,18.17|

BDBM50410817

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |w:17.16,26.25|

BDBM50443419

CN(CC(=O)Nc1ccc(cc1)N1CCOCC1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1

BDBM50443420

Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2nc3ccccc3s2)n1 |r|

BDBM50443421

COc1ccc(O)c(c1)C(=O)c1cnc(N=C(N)Nc2ccc(F)cc2)nc1 |w:15.15|

BDBM50408536

CCCc1ccc(OCCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1

BDBM50408537

CN(CC(O)COc1cccc2[nH]c3ccccc3c12)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50408538

CN(CC(O)COc1cccc2[nH]c3ccccc3c12)Cc1c(C)nn(Cc2ccccc2F)c1C

BDBM50408961

CN(CC(O)CCOc1ccc(F)cc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50408964

CN(CC(O)CCOc1ccc(C)cc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50408973

CCc1ccc(OCCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1

BDBM50408989

CN(CC(O)CCOc1ccc(cc1)C(C)(C)C)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50408991

CCOc1ccc(OCCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3C)c2C)cc1

BDBM50408993

CCOc1ccc(OCCC(O)CN(C)Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1

BDBM50410089

CN(CC(O)CCOc1cccc2[nH]c3ccccc3c12)Cc1c(C)nn(Cc2ccccc2Cl)c1C

BDBM50410820

CN(CC(O)COc1cccc2[nH]c3ccccc3c12)Cc1c(C)nn(Cc2ccccc2)c1C

BDBM50411356

CN(CC(O)COc1cccc2[nH]c3ccccc3c12)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C

BDBM25759

COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12

BDBM50411862

COc1ccccc1OCCNCC(O)CCOc1cccc2[nH]c3ccccc3c12

BDBM50412113

OC(CNc1ccc(cc1)-c1ccccc1)COc1cccc2[nH]c3ccccc3c12

BDBM50412172

OC(CNc1ccc2Cc3ccccc3-c2c1)COc1cccc2[nH]c3ccccc3c12

BDBM50413049

OC(CNc1ccc(Cl)cc1C(=O)c1ccccc1)COc1cccc2[nH]c3ccccc3c12

BDBM50413050

OC(CNc1ccc2ccccc2c1)COc1cccc2[nH]c3ccccc3c12

BDBM50460199

Cc1ccc2oc(nc2c1)C(\Cc1ccc(F)cc1)=N\O

BDBM50460203

COc1ccccc1C(=O)O\N=C(/C)c1nc2ccccc2o1

BDBM50460206

COc1ccc(C\C(=N/O)c2nc3ccc(OC)cc3o2)cc1

BDBM50460198

Cc1ccc2nc(oc2c1)C(\Cc1ccccc1)=N\O

BDBM50460196

COc1ccc(C\C(=N/O)c2nc3ccc(Cl)cc3o2)cc1

BDBM50501804

Clc1cccc(Cl)c1C(=O)Nc1ccc2[nH]nc(-c3ccc4[nH]ccc4c3)c2c1

BDBM50515276

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O |r|

BDBM50515277

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C |r|

BDBM50516677

CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4

BDBM50519459

CCOC(=O)C1=CCCCC1S(=O)(=O)N(C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccc(F)cc1Cl |t:5|

BDBM50519460

CCOC(=O)C1=CCCCC1S(=O)(=O)N(CC#C)c1ccc(F)cc1Cl |t:5|

BDBM50519461

CCOC(=O)C1=CCCCC1S(=O)(=O)N(Cc1ccc(cc1)[N+]([O-])=O)c1ccc(F)cc1Cl |t:5|

BDBM50519462

CCOC(=O)C1=CCCCC1S(=O)(=O)N(C(=O)OCC#C)c1ccc(F)cc1Cl |t:5|

BDBM50543139

Cn1cc(ccc1=O)-c1ccc2nc(ncc2c1)N1CCN(CC1)C1CCC1

BDBM50543140

CC(C)N1CCN(CC1)c1ncc2cc(cc(C)c2n1)-c1ccc(=O)n(C)c1

BDBM50543141

Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1

BDBM50543142

F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r|

BDBM50543143

Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cc(C)c(=O)n(C)c1

BDBM50543144

Cc1cc(=O)n(C)cc1-c1cc(C)c2nn(cc2c1)C1CCNCC1

BDBM50543145

Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1C

BDBM50543465

CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1

BDBM50543466

CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)c(OC)c1

BDBM50552137

[H][C@]12O[C@]1(C)CCC=C(C)CC[C@@]1([H])C(=C)C(=O)O[C@]21[H] |r|

BDBM50563780

CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1

BDBM50573071

CC(C)[C@H]1CCC2C1=CC(=O)CC2=O |r,t:8|

BDBM50573072

Cl[C@H]1CCC2C1=CC(=O)CC2=O |r,t:6|

BDBM50573073

CC(C)[C@H]1CCC2C1=CC(=O)CCC2=O |r,t:8|

BDBM50573074

CCOC(=O)[C@H]1CCCC2C(=O)CC(=O)C=C12 |r,t:15|

BDBM50573075

CCC[C@H]1CCC(CC1)[C@@H]1CCC2=CC(=O)CC(=O)C2C1 |r,wU:9.9,3.2,t:13,(54.57,-4.33,;55.9,-5.1,;57.23,-4.34,;58.56,-5.12,;59.9,-4.36,;61.23,-5.13,;61.22,-6.67,;59.89,-7.44,;58.56,-6.66,;62.55,-7.44,;62.55,-8.98,;63.88,-9.76,;65.21,-8.98,;66.54,-9.75,;67.87,-8.98,;69.2,-9.76,;67.87,-7.44,;66.54,-6.67,;66.54,-5.13,;65.21,-7.44,;63.88,-6.68,)|

BDBM50573076

O=C(N[C@@H]1CCC2=CC(=O)CC(=O)C2C1)OCc1ccccc1 |r,t:6|

BDBM50573077

O=C1CCC(=O)C2CCCCC2=C1 |c:12|

BDBM50573078

C[C@H]1CCC2C(C1)=CC(=O)CCC2=O |r,c:7|

BDBM66082

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50586262

Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r|

BDBM50586249

COc1cc2cc[nH]c2cc1-c1ccncc1

BDBM50590230

[O-][N+](=O)\C=C\c1cccc(Oc2ccccc2)c1

BDBM50590231

C\C(=C/[N+]([O-])=O)c1cccc(Oc2ccccc2)c1

BDBM50590232

[O-][N+](=O)\C=C\c1ccccc1Oc1ccccc1

BDBM50590233

[O-][N+](=O)\C=C\c1ccc(Oc2ccccc2)cc1

BDBM50590234

[O-][N+](=O)\C=C\c1cccc(OCc2ccc3ccccc3c2)c1

BDBM50259770

[O-][N+](=O)\C=C\c1cccc(OCc2ccccc2)c1

BDBM50590235

COc1ccc(COc2cccc(\C=C\[N+]([O-])=O)c2)cc1

BDBM50259769

[O-][N+](=O)\C=C\c1cccc(OCc2ccc(F)cc2)c1

BDBM50259768

[O-][N+](=O)\C=C\c1cccc(OCc2ccc(Cl)cc2)c1

BDBM50590236

[O-][N+](=O)\C=C\c1cccc(OCC2CC2)c1

BDBM50590237

[O-][N+](=O)\C=C\c1cccc(OCC2CCCCC2)c1

BDBM50590238

CCCCOc1cccc(\C=C\[N+]([O-])=O)c1

BDBM50590239

[O-][N+](=O)\C=C\c1cccc(OCc2ccncc2)c1

BDBM50590240

[O-][N+](=O)\C=C\c1cccc(OCc2ccccn2)c1

BDBM50590241

CCOC(=O)c1ccc(COc2cccc(\C=C\[N+]([O-])=O)c2)nc1

BDBM50590242

CCCOC(=O)c1ccc(COc2cccc(\C=C\[N+]([O-])=O)c2)nc1

BDBM50590243

CCCCOC(=O)c1ccc(COc2cccc(\C=C\[N+]([O-])=O)c2)nc1

BDBM50590244

[O-][N+](=O)\C=C\c1cccc(Oc2ccccn2)c1

BDBM50590245

[O-][N+](=O)\C=C\c1cccc(Oc2ncccn2)c1

BDBM50590246

[O-][N+](=O)\C=C\c1cccc(Oc2nccs2)c1

BDBM50590247

[O-][N+](=O)\C=C\c1cccc(c1)C(=O)Nc1ccccn1

BDBM50590248

[O-][N+](=O)\C=C\c1cccc(Nc2ccccn2)c1

BDBM50590249

[O-][N+](=O)\C=C\c1cccc(Nc2cccnc2)c1

BDBM50590250

[O-][N+](=O)\C=C\c1cccc(Nc2ncccn2)c1

BDBM50590251

CN(C)c1ccc(\C=C\[N+]([O-])=O)cc1Nc1ccccn1

BDBM50590252

[O-][N+](=O)\C=C\c1cccc(c1)-c1ccccn1

BDBM50595019

CCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCC(O)=O)O[C@H](CO)[C@@H](OC(=O)CCC(O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCC |r|

BDBM50595020

CCCCC\C=C/C\C=C/CCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCC(O)=O)O[C@H](CO)[C@@H](OC(=O)CCC(O)=O)[C@@H]1OC(=O)CCCCCC\C=C/C\C=C/CCCCC |r|

BDBM50595021

CCCCCCCC\C=C/CCCCCCC(=O)N[C@H]1[C@H](OC(=O)CCC(O)=O)O[C@H](CO)[C@@H](OC(=O)CCC(O)=O)[C@@H]1OC(=O)CCCCCC\C=C/CCCCCCCC |r|

BDBM50595022

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](NC(=O)CCCCCC\C=C/C\C=C/CCCCC)[C@H](OC(=O)CCC(O)=O)O[C@H](CO)[C@H]1OC(=O)CCC(O)=O |r|

BDBM50595023

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](NC(=O)CCCCCC\C=C/CCCCCCCCC)[C@H](OC(=O)CCC(O)=O)O[C@H](CO)[C@H]1OC(=O)CCC(O)=O |r|

BDBM50595024

[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@]([H])(O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@]([H])(O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@]([H])(O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](OC7CCCCC7)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|

BDBM50595025

COc1ccc(C(=O)c2cnc(\N=C(/N)Nc3ccc(F)cc3)nc2)c(O)c1

BDBM50595026

COc1ccc(N\C(N)=N\c2ncc(cn2)C(=O)c2ccccc2O)cc1

BDBM50595027

N\C(Nc1ccc(F)cc1)=N/c1ncc(cn1)C(=O)c1cc(Cl)ccc1O

BDBM50595028

C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O)O

BDBM21958

Cc1cc(cc(n1)C)c2c(c3cc(ccc3[nH]2)C4CCNCC4)C(C)C

BDBM50622092

[H][C@]1(O[C@H]2O[C@H](COC(=O)CC(CCCCCCCCC)CCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](COC(=O)CC(CCCCCCCCC)CCCCCCCCC)[C@@H](O)[C@H](O)[C@H]1O |r|

BDBM50625754

CC(=O)CC(=O)C1CC(CCC1=O)NC(C)=O

BDBM50625755

CC(=O)CC(=O)C1CC(N)CCC1=O

BDBM50625756

CC1CCC(=O)C(C1)C(=O)CC(C)=O

BDBM50625757

CCCCC1CCC(=O)C(C1)C(=O)CC(C)=O

BDBM50625758

CCCC1CCC(CC1)C1CCC(=O)C(C1)C(=O)CC(C)=O |(-8,2.7,;-6.67,1.93,;-5.34,2.7,;-4,1.93,;-4,.39,;-2.67,-.38,;-1.33,.39,;-1.33,1.93,;-2.67,2.7,;-0,-.38,;-0,-1.93,;1.33,-2.7,;2.67,-1.93,;4,-2.7,;2.67,-.38,;1.33,.39,;4,.39,;4,1.93,;5.34,-.38,;6.67,.39,;8,-.38,;6.67,1.93,)|

BDBM50625759

CC(=O)CC(=O)C1CC(O)CCC1=O

BDBM50625760

CC(=O)CC(=O)C1CC(Cl)CCC1=O

BDBM50627976

Cc1cc(c2cnn(c2n1)C)N3CCc4c(c(nn4CC56CCC(CC5)(CC6)NC(=O)[C@@H]7COCCN7)C)C3

BDBM50630274

CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1O |r|

BDBM50630275

CCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |r|

BDBM50630276

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|

BDBM50630277

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(O)=O)OCCCCCCCCCC |r|

BDBM50630278

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

BDBM50630279

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

BDBM50630280

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](COP(O)(O)=O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

BDBM50630281

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(O)=O)OCCCCCCCCCC

BDBM50630282

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(O)=O)OCCCCCCCCCC

BDBM50630283

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](COP(O)(O)=O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(O)=O)OCCCCCCCCCC

BDBM50241298

COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |r,t:2,TLB:20:19:7.15.6:4|

BDBM50640843

COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1CC(OC)C(=O)C3

BDBM50640844

COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)N(C)CC[C@@]314

BDBM50640845

COc1ccc2c3c1O[C@@H]1C(OC)(OC)CC[C@@H]4[C@H](C2)N(C)CC[C@]341

BDBM50640846

COC1=CC[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H]1O5

BDBM50640847

COc1ccc2c3c1O[C@@H]1C(OC)(OC)C(Br)C[C@@H]4[C@H](C2)N(C)CC[C@]341