CES2

Reference Set (111 Compounds)

O=C(C(=O)c1cccc(F)c1F)c1cccc(F)c1F ZINC000028713886

ZINC000028713886 (search)

CCCCCCCCC(=O)C(=O)CCCCCCCC ZINC000072107033

ZINC000072107033 (search)

CCCCCCCCSCC(=O)C(F)(F)F ZINC000034803731

ZINC000034803731 (search)

CCCCCCCC[S@@+]([O-])CC(=O)C(F)(F)F ZINC000034803779

ZINC000034803779 (search)

O=C(C(=O)c1ccc(F)c(F)c1F)c1ccc(F)c(F)c1F ZINC000028713890

ZINC000028713890 (search)

CCCCCCCCCCC(=O)C(F)(F)F ZINC000034803728

ZINC000034803728 (search)

CCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F ZINC000034803776

ZINC000034803776 (search)

CCCCCCCC(=O)C(=O)CCCCCCC ZINC000072106764

ZINC000072106764 (search)

O=C(c1ccc(F)c(F)c1F)[C@H](O)c1ccc(F)c(F)c1F ZINC000028713873

ZINC000028713873 (search)

O=C(C(=O)c1cccc(F)c1)c1cccc(F)c1 ZINC000028713882

ZINC000028713882 (search)

CCCCCCC(=O)C(=O)c1ccccc1 ZINC000072140816

ZINC000072140816 (search)

O=C(C(=O)c1cc(F)cc(F)c1)c1cc(F)cc(F)c1 ZINC000013642865

ZINC000013642865 (search)

O=C(C(=O)c1cc(F)cc(F)c1F)c1cc(F)cc(F)c1F ZINC000028713889

ZINC000028713889 (search)

O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000001715654

ZINC000001715654 (search)

O=C(C(=O)c1ccccc1)c1ccccc1 ZINC000001672966

ZINC000001672966 (search)

CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C ZINC000001537184

ZINC000001537184 (search)

O=C(C(=O)c1c(F)ccc(F)c1F)c1cc(F)cc(F)c1F ZINC000028713888

ZINC000028713888 (search)

CCCCCC(=O)C(=O)c1ccccc1 ZINC000005307767

ZINC000005307767 (search)

O=C1C(=O)c2ccccc2-c2ccccc21 ZINC000001529614

ZINC000001529614 (search)

O=C(c1cc(F)ccc1F)[C@H](O)c1cc(F)ccc1F ZINC000028713867

ZINC000028713867 (search)

O=C(C(=O)c1ccccc1F)c1ccccc1F ZINC000028713881

ZINC000028713881 (search)

CCCCCC(=O)C(=O)CCCCC ZINC000002019462

ZINC000002019462 (search)

O=C(C(=O)c1cc(F)ccc1F)c1cc(F)ccc1F ZINC000028713887

ZINC000028713887 (search)

Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000001650576

ZINC000001650576 (search)

O=C(c1cc(F)cc(F)c1)[C@H](O)c1cc(F)cc(F)c1 ZINC000028713869

ZINC000028713869 (search)

O=C(C(=O)C1CCCCC1)C1CCCCC1 ZINC000014979624

ZINC000014979624 (search)

CCCCC(=O)C(=O)c1ccccc1 ZINC000036448414

ZINC000036448414 (search)

CCCCCCC(=O)C(=O)CCCCCC ZINC000001672455

ZINC000001672455 (search)

O=C(c1cc(F)cc(F)c1F)[C@H](O)c1cc(F)cc(F)c1F ZINC000028713871

ZINC000028713871 (search)

Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1 ZINC000002585546

ZINC000002585546 (search)

O=C(c1c(F)cccc1F)[C@H](O)c1c(F)cccc1F ZINC000028713861

ZINC000028713861 (search)

CCCCC(=O)C(=O)CCCC ZINC000005510194

ZINC000005510194 (search)

C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000002109876

ZINC000002109876 (search)

O=C(c1ccc(F)c(F)c1)[C@H](O)c1ccc(F)c(F)c1 ZINC000028713863

ZINC000028713863 (search)

O=C(C(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000028713885

ZINC000028713885 (search)

O=c1c(=O)c2cccc3cccc1c32 ZINC000001529526

ZINC000001529526 (search)

O=C(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002504724

ZINC000002504724 (search)

O=C(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028713891

ZINC000028713891 (search)

O=C(c1cccc(C(F)(F)F)c1)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000028713879

ZINC000028713879 (search)

O=C(c1ccccc1F)[C@H](O)c1ccccc1F ZINC000013534616

ZINC000013534616 (search)

O=C(C(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000028713892

ZINC000028713892 (search)

O=C(c1cccc(F)c1F)[C@H](O)c1cccc(F)c1F ZINC000028713865

ZINC000028713865 (search)

O=C(Cc1ccccc1)C(=O)[C@H](Br)c1ccccc1 ZINC000003844702

ZINC000003844702 (search)

O=C(C(=O)c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000028713883

ZINC000028713883 (search)

O=C(C(=O)[C@H](Br)c1ccccc1)[C@H](Br)c1ccccc1 ZINC000004265681

ZINC000004265681 (search)

O=C(C(=O)c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000013642867

ZINC000013642867 (search)

O=C(c1ccc(F)cc1F)[C@H](O)c1ccc(F)cc1F ZINC000028713859

ZINC000028713859 (search)

O=C(c1ccc(C(F)(F)F)cc1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000028713877

ZINC000028713877 (search)

CCCC(=O)C(=O)c1ccccc1 ZINC000034596664

ZINC000034596664 (search)

O=C(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036177767

ZINC000036177767 (search)

O=C(c1cccc(F)c1)[C@H](O)c1cccc(F)c1 ZINC000028713857

ZINC000028713857 (search)

O=C(C(=O)c1c(F)cccc1F)c1c(F)cccc1F ZINC000028713884

ZINC000028713884 (search)

O=C1C(=O)N(c2ccccc2)c2ccccc21 ZINC000001657403

ZINC000001657403 (search)

O=C(c1cc(F)c(F)c(F)c1)[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000028713875

ZINC000028713875 (search)

Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 ZINC000002558154

ZINC000002558154 (search)

CC1=CC(=O)C[C@]2(C)[C@@H]3[C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@@]3(C)CC[C@@H]12 ZINC000473146757

ZINC000473146757 (search)

CCC(=O)C(=O)c1ccccc1 ZINC000001587825

ZINC000001587825 (search)

O=C(C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000036177770

ZINC000036177770 (search)

O=C(c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000000076

ZINC000000000076 (search)

O=C(C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000036177764

ZINC000036177764 (search)

O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3O)CO[C@H]12 ZINC000045259718

ZINC000045259718 (search)

Cc1c(S(=O)(=O)O)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000006069214

ZINC000006069214 (search)

O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001529745

ZINC000001529745 (search)

C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C ZINC000473151231

ZINC000473151231 (search)

C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1 ZINC000095910423

ZINC000095910423 (search)

CCCC(=O)C(=O)CCC ZINC000001602517

ZINC000001602517 (search)

CCOC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000473151592

ZINC000473151592 (search)

C=C(C)[C@@H](O)[C@@H](O)C[C@@H](C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000473150571

ZINC000473150571 (search)

Cc1ccc(C(=O)C(=O)c2ccccc2)cc1C ZINC000003311689

ZINC000003311689 (search)

Cc1ccc(C(=O)C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000003132327

ZINC000003132327 (search)

CCCCCCNCC(=O)C(F)(F)F ZINC000013492596

ZINC000013492596 (search)

O=C(C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000001590838

ZINC000001590838 (search)

CCCCCCSCC(=O)C(F)(F)F ZINC000013492586

ZINC000013492586 (search)

COc1ccc(C(=O)C(=O)c2ccccc2Cl)cc1OC ZINC000002384868

ZINC000002384868 (search)

COc1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001671392

ZINC000001671392 (search)

O=C(C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002170331

ZINC000002170331 (search)

O=C(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000001699466

ZINC000001699466 (search)

O=C(C(=O)c1ccc(CBr)cc1)c1ccccc1 ZINC000002559787

ZINC000002559787 (search)

Cc1ccc(C(=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000002510245

ZINC000002510245 (search)

O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001555402

ZINC000001555402 (search)

O=C(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002555760

ZINC000002555760 (search)

CCCCCCCC(F)(F)C(=O)C(F)(F)F ZINC000043411568

ZINC000043411568 (search)

Cc1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001841234

ZINC000001841234 (search)

CCCCCCS(=O)(=O)CC(=O)C(F)(F)F ZINC000013492587

ZINC000013492587 (search)

CCCCCCOCC(=O)C(F)(F)F ZINC000013492590

ZINC000013492590 (search)

O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl ZINC000000240941

ZINC000000240941 (search)

Cc1ccc(C(=O)C(=O)c2ccc(C)cc2)cc1 ZINC000001590056

ZINC000001590056 (search)

COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1 ZINC000001566855

ZINC000001566855 (search)

O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000003269660

ZINC000003269660 (search)

O=C(C(=O)c1cc(Br)ccc1O)c1cc(Br)ccc1O ZINC000001683334

ZINC000001683334 (search)

O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000005705162

ZINC000005705162 (search)

COc1cccc(C(=O)C(=O)c2cccc(OC)c2)c1 ZINC000002168289

ZINC000002168289 (search)

O=C(C(=O)c1ccccn1)c1ccccn1 ZINC000001747039

ZINC000001747039 (search)

O=C(C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000002519749

ZINC000002519749 (search)

O=C(C(=O)c1ccc(Br)s1)c1ccc(Br)s1 ZINC000013671727

ZINC000013671727 (search)

CCCCCC[S@@+]([O-])CC(=O)C(F)(F)F ZINC000013492592

ZINC000013492592 (search)

O=C(C(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000001704748

ZINC000001704748 (search)

O=C(C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000013642872

ZINC000013642872 (search)

O=C(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000001601014

ZINC000001601014 (search)

O=C(C(=O)c1cc(Br)cs1)c1cc(Br)cs1 ZINC000013671725

ZINC000013671725 (search)

O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl ZINC000001595936

ZINC000001595936 (search)

O=C(C(=O)c1cccs1)c1cccs1 ZINC000001710767

ZINC000001710767 (search)

O=C(C(=O)c1ccc(O)cc1)c1ccccc1 ZINC000001705144

ZINC000001705144 (search)

CC(C)(C)C1=CC(=O)C(=O)C(C(C)(C)C)=C1 ZINC000001734421

ZINC000001734421 (search)

O=C(C(=O)c1ccc(O)cc1O)c1ccc(O)cc1O ZINC000001587804

ZINC000001587804 (search)

CC(=O)C(=O)c1ccccc1 ZINC000001683675

ZINC000001683675 (search)

CCCCCCCCC(=O)C(F)(F)F ZINC000043411585

ZINC000043411585 (search)

CCCCCCCCC(=O)C(F)F ZINC000043411511

ZINC000043411511 (search)

O=C(c1cccs1)[C@@H](O)c1cccs1 ZINC000000132534

ZINC000000132534 (search)

O=C(C(=O)c1ccsc1)c1ccsc1 ZINC000013671723

ZINC000013671723 (search)

O=C(C(=O)c1ccco1)c1ccco1 ZINC000001687010

ZINC000001687010 (search)