Ca15

Reference Set (81 Compounds)

NS(=O)(=O)c1ccc(C(=O)O)cc1 ZINC000000001099

ZINC000000001099 (search)

NCc1ccc(S(N)(=O)=O)cc1 ZINC000000001644

ZINC000000001644 (search)

Nc1ccc(S(N)(=O)=O)cc1 ZINC000000002101

ZINC000000002101 (search)

NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000000002119

ZINC000000002119 (search)

C[C@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 ZINC000000003911

ZINC000000003911 (search)

NS(=O)(=O)Cc1noc2ccccc12 ZINC000000004321

ZINC000000004321 (search)

Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 ZINC000000006694

ZINC000000006694 (search)

Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000000006787

ZINC000000006787 (search)

COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 ZINC000000007673

ZINC000000007673 (search)

CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000000020229

ZINC000000020229 (search)

Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000000056465

ZINC000000056465 (search)

NCCc1ccc(S(N)(=O)=O)cc1 ZINC000000056629

ZINC000000056629 (search)

CCOc1ccc2nc(S(N)(=O)=O)sc2c1 ZINC000000056721

ZINC000000056721 (search)

CCOc1ccc2ccc(=O)oc2c1 ZINC000000057719

ZINC000000057719 (search)

O=C(O)c1cc2ccccc2oc1=O ZINC000000067688

ZINC000000067688 (search)

COc1cccc2cc(C(=O)O)c(=O)oc12 ZINC000000084532

ZINC000000084532 (search)

COc1ccc2oc(=O)c(C(=O)O)cc2c1 ZINC000000103684

ZINC000000103684 (search)

Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000000119978

ZINC000000119978 (search)

NNc1ccc(S(N)(=O)=O)cc1 ZINC000000152965

ZINC000000152965 (search)

Nc1ccccc1S(N)(=O)=O ZINC000000163348

ZINC000000163348 (search)

O=C(O)c1ccc(O)cc1 ZINC000000332752

ZINC000000332752 (search)

Cc1ccc(S(N)(=O)=O)cc1 ZINC000000388056

ZINC000000388056 (search)

COc1ccc2ccc(=O)oc2c1 ZINC000000391177

ZINC000000391177 (search)

O=c1ccc2ccc(OCc3ccccc3)cc2o1 ZINC000000493069

ZINC000000493069 (search)

CCOC(=O)c1cc2ccc(OC)cc2oc1=O ZINC000000499358

ZINC000000499358 (search)

NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 ZINC000000600748

ZINC000000600748 (search)

NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 ZINC000000896918

ZINC000000896918 (search)

Nc1ccc(S(N)(=O)=O)cc1Cl ZINC000001420707

ZINC000001420707 (search)

NCCCCCN ZINC000001529253

ZINC000001529253 (search)

CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530621

ZINC000001530621 (search)

Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC000001530783

ZINC000001530783 (search)

NCCCCNCCCN ZINC000001532612

ZINC000001532612 (search)

NCCCCCCN ZINC000001543408

ZINC000001543408 (search)

COc1cc([C@@H]2Oc3cc([C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O)ccc3O[C@H]2CO)ccc1O ZINC000001554609

ZINC000001554609 (search)

Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC000001676919

ZINC000001676919 (search)

NCCNc1cccc2ccccc12 ZINC000001700217

ZINC000001700217 (search)

CCCOc1ccc2ccc(=O)oc2c1 ZINC000001893420

ZINC000001893420 (search)

Cc1ccc2oc(=O)c(C(=O)O)cc2c1 ZINC000002023765

ZINC000002023765 (search)

NNc1ccccc1S(N)(=O)=O ZINC000002506731

ZINC000002506731 (search)

Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002570895

ZINC000002570895 (search)

CCCCOc1ccc2ccc(=O)oc2c1 ZINC000002950199

ZINC000002950199 (search)

CC(=O)Nc1nnc(S(N)(=O)=O)s1 ZINC000003813042

ZINC000003813042 (search)

CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000003953037

ZINC000003953037 (search)

NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000004194731

ZINC000004194731 (search)

NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12 ZINC000004654875

ZINC000004654875 (search)

Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1 ZINC000005031617

ZINC000005031617 (search)

Cn1nc(S(N)(=O)=O)sc1=N ZINC000005423825

ZINC000005423825 (search)

NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000005839050

ZINC000005839050 (search)

NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1 ZINC000006095534

ZINC000006095534 (search)

Nc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006392199

ZINC000006392199 (search)

Oc1c(I)cc(Cl)c2cccnc12 ZINC000006409735

ZINC000006409735 (search)

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 ZINC000006716957

ZINC000006716957 (search)

Nc1ccc(S(N)(=O)=O)cc1F ZINC000006925827

ZINC000006925827 (search)

Cc1cc(C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000012504500

ZINC000012504500 (search)

Nc1ccc(S(N)(=O)=O)cc1Br ZINC000012522340

ZINC000012522340 (search)

Nc1ccc(S(N)(=O)=O)cc1I ZINC000013442499

ZINC000013442499 (search)

NS(=O)(=O)c1nc2ccc(O)cc2s1 ZINC000013442501

ZINC000013442501 (search)

NS(=O)(=O)c1ccc(CO)cc1 ZINC000013442503

ZINC000013442503 (search)

NS(=O)(=O)c1ccc(CCO)cc1 ZINC000013442505

ZINC000013442505 (search)

Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000013488273

ZINC000013488273 (search)

Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl ZINC000013520197

ZINC000013520197 (search)

COc1ccc2c(C(=O)O)cc(=O)oc2c1 ZINC000013548082

ZINC000013548082 (search)

CC(=O)Nc1ccc(O)cc1 ZINC000013550868

ZINC000013550868 (search)

Nc1nnc(S(N)(=O)=O)s1 ZINC000016969869

ZINC000016969869 (search)

CN(C)CCN(C)CCN(C)CCN(C)C ZINC000019365690

ZINC000019365690 (search)

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000019632618

ZINC000019632618 (search)

COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C ZINC000032236516

ZINC000032236516 (search)

CCOC(=O)c1cc2cc(CO)ccc2oc1=O ZINC000039042869

ZINC000039042869 (search)

O=C(O)c1cc2ccccc2sc1=O ZINC000039220095

ZINC000039220095 (search)

O=c1ccc2cc(CO)ccc2o1 ZINC000044198895

ZINC000044198895 (search)

O=c1ccc2ccc(CCc3ccccc3)cc2o1 ZINC000045245162

ZINC000045245162 (search)

NCc1ccc2oc(=O)ccc2c1 ZINC000045245505

ZINC000045245505 (search)

COC(=O)c1cc2cc(CO)ccc2oc1=O ZINC000045254920

ZINC000045254920 (search)

O=C(O)c1cc2cc(CO)ccc2oc1=O ZINC000045260390

ZINC000045260390 (search)

O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 ZINC000045300690

ZINC000045300690 (search)

NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 ZINC000058540717

ZINC000058540717 (search)

CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000095616603

ZINC000095616603 (search)

CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C ZINC000100019188

ZINC000100019188 (search)

COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000100067274

ZINC000100067274 (search)

COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1 ZINC000101504538

ZINC000101504538 (search)

Nc1ccc(S(O)(O)Nc2nnc(S(N)(=O)=O)s2)cc1 ZINC000101512467

ZINC000101512467 (search)