SMILES for Dual specificity protein phosphatase 6

CCCCCC1CCC(CC1)C(O)=O |(3.08,-6.25,;3.08,-4.71,;4.41,-3.94,;4.41,-2.4,;5.75,-1.63,;5.75,-.09,;7.08,.68,;7.08,2.22,;5.75,2.99,;4.41,2.22,;4.41,.68,;5.75,4.53,;7.08,5.3,;4.41,5.3,)|

BDBM50388809

CCCCCCCCCCCCCCCC(NCc1ccc(C)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388810

CCCCCCCCCCCCCCCC(NCc1ccc(Cl)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388811

CCCCCCCCCCCCCCCC(NCc1ccc(F)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388812

CCCCCCCCCCCCCCCC(NCc1ccc(O)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388813

CCCCCCCCCCCCCCCC(NCc1ccc(OC)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388814

CCCCCCCCCCCCCCCC(NCc1ccc(cc1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388821

CCCCCCCCCCCCCCCC(NCc1cccc(C)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388822

CCCCCCCCCCCCCCCC(NCc1cccc(Cl)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388823

CCCCCCCCCCCCCCCC(NCc1cccc(F)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388824

CCCCCCCCCCCCCCCC(NCc1cccc(O)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388825

CCCCCCCCCCCCCCCC(NCc1cccc(OC)c1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388808

CCCCCCCCCCCCCCCC(NCc1cccc(c1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388807

CCCCCCCCCCCCCCCC(NCc1ccccc1)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388815

CCCCCCCCCCCCCCCC(NCc1ccccc1C)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388816

CCCCCCCCCCCCCCCC(NCc1ccccc1Cl)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388817

CCCCCCCCCCCCCCCC(NCc1ccccc1F)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388820

CCCCCCCCCCCCCCCC(NCc1ccccc1N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388818

CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM50388819

CCCCCCCCCCCCCCCC(NCc1ccccc1OC)=C1C(=O)OC(CO)C1=O |w:15.15|

BDBM35414

CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1

BDBM34230

CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O |c:10|

BDBM31764

CCCCCc1nnc(NC(=O)Cc2cccs2)s1

BDBM35357

CCCCNC(=O)CSc1nnc(-c2ccco2)n1C

BDBM35368

CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12

BDBM31742

CCCCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|

BDBM35363

CCCCOc1ccccc1P(O)(=O)CP(=O)(c1ccccc1)c1ccccc1

BDBM50343142

CCCCc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1

BDBM32062

CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12

BDBM35373

CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(ccc12)S(N)(=O)=O

BDBM35400

CCCSc1nnc(NC(=O)c2sc3nc(ccc3c2N)-c2cccs2)s1

BDBM35369

CCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1

BDBM53490

CCN(CC)CCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccccn1

BDBM38802

CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23

BDBM34235

CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl

BDBM50336847

CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|

BDBM50336849

CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1 |c:5,t:8|

BDBM50378898

CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|

BDBM50378899

CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|

BDBM50336848

CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|

BDBM46213

CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|

BDBM33065

CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM35365

CCOC(=O)CC(=O)CSc1nnc2sc3ccccc3n12

BDBM35391

CCOC(=O)N1CCC(CC1)NC(=O)c1cccn2c1nc1ccc(Br)cc1c2=O

BDBM53486

CCOC(=O)c1cc2sccc2n1Cc1ccccc1

BDBM35398

CCOC(=O)c1ccc(Nc2n(Cc3ccc(F)cc3)c(=O)c3ccc[nH]c23)cc1

BDBM31734

CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|

BDBM31743

CCOC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:23|

BDBM46225

CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O

BDBM46226

CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O

BDBM50099736

CCOC1=CC(=O)C(=O)c2ccccc12 |t:3|

BDBM51775

CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl |w:8.8|

BDBM35426

CCOc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O

BDBM35393

CCOc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O

BDBM35430

CCOc1ccc2nc(Nc3nc4CCCc4c(=O)[nH]3)nc(C)c2c1

BDBM35433

CCOc1ccc2noc3-c4ccccc4C(=O)c1c23

BDBM35438

CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1coc2ccccc2c1=O |c:8,t:11|

BDBM35386

CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1

BDBM46224

CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1 |w:13.14,t:7|

BDBM35419

CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1

BDBM35359

CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2n(C)c(=O)n(C)c(=O)c12

BDBM34170

CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O

BDBM35410

CCn1c2ccccc2c(SCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O

BDBM35408

CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|

BDBM31040

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1

BDBM31044

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1

BDBM50544427

CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O

BDBM34408

CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1

BDBM34452

CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1

BDBM35375

CN1Cc2cc(cnc2NC1=O)C(=O)c1cc(Cl)cc(CSc2ncccn2)c1O

BDBM35425

COC(=O)C1C(C2=C(N=C1C)c1ccccc1C2=O)c1ccc(o1)-c1ccc(cc1)C(O)=O |c:6,8|

BDBM35437

COC(=O)CCC(=O)Oc1ccc(OC(=O)CCC(=O)OC)cc1

BDBM35366

COC(=O)CCCc1nc2ccccc2s1

BDBM34390

COC(=O)N(c1ccc(OC)cc1)P1(=S)OCCC(C)O1

BDBM43865

COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12

BDBM35403

COC(=O)c1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc12

BDBM53493

COC(=O)c1ccccc1NC(=O)Nc1cc(C)cc(C)n1

BDBM40631

COC(=O)c1ccccc1NC(=O)c1noc2CCCc12

BDBM31745

COC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:22|

BDBM30768

COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12

BDBM35416

COc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O

BDBM46212

COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O

BDBM31700

COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1

BDBM53491

COc1ccc(Cc2nn3c(nnc3s2)-c2cc(OC)c(OC)c(OC)c2)cc1

BDBM35364

COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1

BDBM35411

COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c1

BDBM35356

COc1ccc(c(OC)c1)-n1nnnc1SCC(=O)Nc1ccc2OCCOc2c1

BDBM35395

COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O

BDBM35404

COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1cccc(C)n1

BDBM82577

COc1ccc(cc1)-c1nnc(Nc2nc3c(F)cccc3s2)o1

BDBM30725

COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12

BDBM34527

COc1ccc(cc1)-n1c(SCC(=O)N2CCCC2)nc2c3ccccc3[nH]c2c1=O

BDBM48853

COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|

BDBM35423

COc1ccc(cc1)C(=O)CSc1nnc(CNC(=O)c2ccc(OC)c(OC)c2)n1C

BDBM50343147

COc1ccc(cc1)N1CCN(CC1)C(C(C)NC(=O)C(=O)NCc1ccco1)c1cccs1

BDBM40101

COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O

BDBM35358

COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1

BDBM31724

COc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:10|

BDBM34176

COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1

BDBM35431

COc1ccc2noc3-c4ccccc4C(=O)c1c23

BDBM51766

COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O

BDBM29615

COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|

BDBM38797

COc1cccc2c(C)c([nH]c12)C(O)=O

BDBM50703

CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|

BDBM49124

CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1

BDBM51271

CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1

BDBM31750

CSc1nnc(-c2ccco2)c(n1)-c1ccco1

BDBM50267086

C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21 |r,t:19|

BDBM53488

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|

BDBM31883

C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|

BDBM50558488

Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br

BDBM50607110

Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br

BDBM50607111

Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br

BDBM51784

Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12

BDBM32133

Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C |(9.99,-2.67,;11.14,-1.64,;10.98,-.11,;9.64,.66,;8.1,.66,;7.2,1.9,;7.68,3.37,;5.75,1.43,;4.41,2.2,;3.08,1.43,;3.08,-.11,;4.41,-.88,;5.75,-.11,;7.2,-.58,;7.68,-2.04,;12.38,.52,;12.7,2.03,;13.41,-.63,;14.95,-.46,;15.57,.94,;17.1,1.1,;18.01,-.14,;17.38,-1.55,;15.85,-1.71,;12.64,-1.96,;13.27,-3.37,)|

BDBM50267171

Cc1c(O)c2ccccc2c(O)c1NCC=O

BDBM51777

Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12

BDBM48775

Cc1c(cccc1[N+]([O-])=O)[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|

BDBM46245

Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O |w:7.6|

BDBM51065

Cc1cc(=O)oc2cc(OCC(=O)N\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)ccc12

BDBM31727

Cc1cc(C)c2C3C=CCC3C(Nc2c1)C(O)=O |c:7|

BDBM31737

Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1

BDBM51791

Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1

BDBM35372

Cc1cc(C)n2c(SCC(=O)N3CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)nnc2n1

BDBM31765

Cc1cc(NC(=O)Cc2cccs2)no1

BDBM35383

Cc1cc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)nc2c3ccccc3oc(=O)c12

BDBM35367

Cc1cc2NC(Nc3ccccc3)Sn2n1

BDBM50422

Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccc(cc2)C(O)=O)nc1

BDBM31739

Cc1cc2nc3s\c(=C\c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2cc1C

BDBM35376

Cc1ccc(C)c(c1)-n1nnnc1SCC(=O)c1ccc2OCC(=O)Nc2c1

BDBM31703

Cc1ccc(C)n1-c1cccc(c1)C(O)=O

BDBM40576

Cc1ccc(C)n1C(Cc1ccccc1)C(O)=O

BDBM50311847

Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1 |w:13.13|

BDBM50143

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1

BDBM51773

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C

BDBM35378

Cc1ccc(NC(=O)COC(=O)c2ccc3N4CCCC4C(=O)Nc3c2)cc1C

BDBM34209

Cc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)cc1C

BDBM35424

Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1

BDBM31760

Cc1ccc(O)c2NC(C3CC=CC3c12)C(O)=O |c:11|

BDBM33046

Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|

BDBM35377

Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1

BDBM51767

Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1

BDBM50513

Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O

BDBM31726

Cc1ccc2C3C(Cl)C(CC3C(Nc2c1Cl)C(O)=O)Sc1ccccc1[N+]([O-])=O

BDBM31756

Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|

BDBM31758

Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|

BDBM31749

Cc1ccc2c(NC(NS2(=O)=O)C(O)=O)c1

BDBM31738

Cc1ccc2c(nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n23)c1C

BDBM31020

Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C

BDBM35385

Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)c1C

BDBM35381

Cc1cccc(N2CCN(CC2)S(=O)(=O)c2ccc3N(CCc3c2)C(=O)CCC(O)=O)c1C

BDBM35418

Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1

BDBM47086

Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1

BDBM32098

Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1

BDBM35394

Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCCC1=CCCCC1 |t:19|

BDBM35415

Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1

BDBM35420

Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc2sc3CCCc3c2c(=O)n1C

BDBM35429

Cc1nn2c(nnc2c2ccccc12)-c1cccc(NC(=O)c2ccco2)c1

BDBM34185

Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)c1

BDBM35432

Clc1ccc(CNC2=CC(=O)CC2)cc1Cl |t:7|

BDBM51768

Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|

BDBM48721

Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl

BDBM35413

Clc1ccc(cc1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1

BDBM35387

Clc1ccc2c(c1)nc1c(cccn1c2=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1

BDBM32030

Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C

BDBM31751

Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1

BDBM35412

Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)NCCC(=O)NCCC1=CCCCC1 |t:27|

BDBM35382

Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(=O)NC1CCCC1

BDBM32102

Cn1ncnc2c1nc(=O)n(C)c2=O

BDBM35402

FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1

BDBM51781

Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|

BDBM53487

Fc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCCc1ccccc1)Cc1ccco1

BDBM53489

NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4CCCCCc4sc3n12

BDBM31747

NC(=O)c1cccc2C3C=CCC3C(Nc12)C(O)=O |c:9|

BDBM35371

Nc1c(cc(Cl)c2nonc12)N1CCCC1

BDBM32047

Nc1ccc2ncccc2c1N

BDBM32097

Nc1cccc2cnccc12

BDBM32061

Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1

BDBM32096

Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1

BDBM34163

Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N

BDBM35355

O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM35396

O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)N1CCCc2ccccc12

BDBM35374

O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)C(C#N)c1nc2ccccc2[nH]1

BDBM31754

O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1

BDBM35409

O=C(N1CCN(CC1)C1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O

BDBM32066

O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1n[nH]c(=O)c2ccccc12

BDBM35439

O=C(N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)-c1ccccc1

BDBM31704

O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1

BDBM35417

O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1

BDBM33055

O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM31722

O=C1C(Cc2ccccc12)Sc1nnc(-c2ccco2)c(n1)-c1ccco1

BDBM50267114

O=C1C2C(=NCCS2(=O)=O)C(=O)c2cc3CCCCc3cc12 |c:3|

BDBM50267115

O=C1C2C(=NCCS2(=O)=O)C(=O)c2ccccc12 |c:3|

BDBM22774

O=C1C=CC(=O)C=C1 |c:2,6|

BDBM50267087

O=C1C=CC(=O)c2cc3CCCCc3cc12 |c:2|

BDBM24776

O=C1C=CC(=O)c2ccccc12 |c:2|

BDBM22851

O=C1C=Cc2ccccc2C1=O |c:2|

BDBM32025

O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2 |c:2,TLB:12:13:16:21.22.19.20,THB:23:21:13.14.18:16,23:13:16:21.22.19.20,19:17:14:21.23.22,20:21:14:17.18.16|

BDBM46141

O=C1CC(=O)N(Cc2ccco2)C(=O)N1

BDBM38837

O=C1Cc2ccccc2C(=O)N1CCc1ccccc1

BDBM50326052

O=C1\C(=C\c2ccccc2)C(NC2CCCCC2)c2ccccc12

BDBM32050

O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23

BDBM50094892

O=C1c2ccccc2C(=O)c2ccccc12

BDBM32004

O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O

BDBM34182

O=c1[nH]c(Nc2ccccc2)cc2ccccc12

BDBM35440

O=c1[nH]cnc2n[nH]cc12

BDBM35392

O=c1n(Cc2ccccc2)c(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2[nH]cccc12

BDBM35406

O=c1n(Cc2ccco2)c(=S)[nH]c2ccc(cc12)N1CCOCC1

BDBM50544431

OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F

BDBM50544440

OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F

BDBM51778

OC(=O)C1CCC(CC1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl |(16.37,-1.33,;15.6,,;16.37,1.33,;14.06,,;13.29,-1.33,;11.75,-1.33,;10.98,,;11.75,1.33,;13.29,1.33,;9.44,,;8.54,1.24,;9.02,2.7,;7.08,.77,;7.08,-.77,;8.54,-1.24,;9.02,-2.7,;5.75,-1.54,;5.75,-3.08,;4.41,-.77,;3.08,-1.54,;4.41,.77,;3.08,1.54,;5.75,1.54,;5.75,3.08,)|

BDBM31746

OC(=O)C1Nc2c(Cl)cc(Cl)c(Cl)c2C2C=CCC12 |c:16|

BDBM31728

OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|

BDBM31763

OC(=O)C1Nc2c(F)cccc2C2C=CCC12 |c:14|

BDBM31748

OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|

BDBM31757

OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|

BDBM31730

OC(=O)C1Nc2c(cccc2C(=O)Oc2ccc(cc2)-c2ccccc2)C2C=CCC12 |c:30|

BDBM31732

OC(=O)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12 |c:17|

BDBM31762

OC(=O)C1Nc2c(cccc2N2CCOCC2)C2C=CCC12 |c:20|

BDBM31761

OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23|

BDBM41956

OC(=O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12 |c:15|

BDBM31729

OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|

BDBM31744

OC(=O)C1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2C2C=CCC12 |c:25|

BDBM35407

OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1 |c:13|

BDBM31740

OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)Oc1ccc2ccccc2c1 |c:13|

BDBM31733

OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|

BDBM31723

OC(=O)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O |c:13|

BDBM31725

OC(=O)C1Nc2ccccc2C2C=CCC12 |c:13|

BDBM51783

OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12

BDBM50388723

OC(=O)CCc1cccc(c1)[Sb](O)(O)=O

BDBM75323

OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1

BDBM26613

OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O

BDBM51780

OC(=O)c1cc(ccc1Cl)-c1ccc(C=c2sc3nc4ccc(Br)cc4n3c2=O)o1

BDBM48873

OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)cc1

BDBM46207

OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1

BDBM31731

OC(=O)c1ccc(cc1)-c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1

BDBM51787

OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1

BDBM50696

OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1

BDBM47669

OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|

BDBM40629

OC(=O)c1cccc(c1)-n1cccc1CN=O

BDBM31759

OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1

BDBM53492

OC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1

BDBM50102180

OC(C(O)=O)c1ccco1

BDBM32085

OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O

BDBM35401

OC1C(Sc2ccccc2NC1=O)c1ccccc1

BDBM50558481

OS(=O)(=O)C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1

BDBM50558487

OS(=O)(=O)C(C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1

BDBM50558485

OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1

BDBM50558484

OS(=O)(=O)C(C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccccc1

BDBM50558486

OS(=O)(=O)C(C(=O)Nc1ccc2nc([nH]c2c1)C(F)(F)F)c1ccccc1

BDBM50558483

OS(=O)(=O)C(C(=O)Nc1cnc2ccccc2c1)c1ccccc1

BDBM50558461

OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1

BDBM50558482

OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1

BDBM51789

OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12

BDBM51779

Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O |w:7.7|

BDBM31753

Oc1c(cc(c2cccnc12)S([O-])(=O)=O)N=Nc1ccc2cc(ccc2c1)S([O-])(=O)=O |w:16.18|

BDBM35389

Oc1c(cnc2ccc(cc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NC1CC1

BDBM50267088

Oc1c2Oc2c(O)c2cc3CCCCc3cc12

BDBM50267170

Oc1cc(NCC=O)c(O)c2ccccc12

BDBM51790

Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|

BDBM4078

Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O

BDBM50647

Oc1cc2cccc(=O)c(O)c2c(O)c1O

BDBM51788

Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12 |w:6.6|

BDBM50060898

Oc1ccc(O)c2C(=O)C=CC(=O)c12 |c:9|

BDBM35435

Oc1ccc2OC(=O)CC(c3ccccc3)c2c1

BDBM50267116

Oc1cccc2C(=O)C3=NCCS(=O)(=O)C3C(=O)c12 |t:8|

BDBM24777

Oc1cccc2C(=O)C=CC(=O)c12 |c:8|

BDBM35399

[H]C12CC(C)(Oc3ccccc13)N(C(=O)N2)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(F)cc1 |TLB:16:12:2:5.11.6,THB:10:11:2:12.15.13|

BDBM35370

[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(F)c(Cl)c1)C(C)=O |c:4|

BDBM31736

[O-][N+](=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1

BDBM35436

[O-]\[N+](=C/c1ccc(OC(F)F)cc1)c1ccccc1

BDBM35434

[O-]\[N+](=C/c1ccncc1)c1ccc(Br)cc1

BDBM35380

[O-]\[N+](=C/c1ccncc1)c1ccccc1

BDBM35388

[O-]\[N+](=C\c1ccc(F)cc1)c1ccccc1

BDBM35361

[O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1

BDBM41228

c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1