CA3

Reference Set (60 Compounds)

O=C(O)c1cc(O)c(O)c(O)c1 ZINC000000001504

ZINC000000001504 (search)

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

ZINC000000003911 (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)

O=C(O)/C=C/c1ccc(O)cc1 ZINC000000039811

ZINC000000039811 (search)

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

ZINC000000056721 (search)

O=C(O)/C=C/c1ccc(O)c(O)c1 ZINC000000058172

ZINC000000058172 (search)

O=C(O)c1cc2ccccc2oc1=O ZINC000000067688

ZINC000000067688 (search)

O=c1ccc2ccccc2o1 ZINC000000074709

ZINC000000074709 (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)

COc1cc(C(=O)O)cc(OC)c1O ZINC000000156386

ZINC000000156386 (search)

[O-][n+]1ccccc1S ZINC000000156822

ZINC000000156822 (search)

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

ZINC000000332752 (search)

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

ZINC000000388056 (search)

N#Cc1ccc(O)cc1 ZINC000000388759

ZINC000000388759 (search)

O=c1ccc2ccc(OCc3ccccc3)cc2o1 ZINC000000493069

ZINC000000493069 (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)

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)

NCCNc1cccc2ccccc12 ZINC000001700217

ZINC000001700217 (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)

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000003869685

ZINC000003869685 (search)

Nc1ccc(O)cc1 ZINC000004623758

ZINC000004623758 (search)

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

ZINC000005031617 (search)

O/N=c1/ccc2ccccc2o1 ZINC000005045449

ZINC000005045449 (search)

NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O ZINC000005113104

ZINC000005113104 (search)

Oc1ccccc1 ZINC000005133329

ZINC000005133329 (search)

Oc1ccc(O)cc1 ZINC000005133378

ZINC000005133378 (search)

O=C(S)c1ccccc1 ZINC000005226314

ZINC000005226314 (search)

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

ZINC000006716957 (search)

O=c1ccc2ccccc2[nH]1 ZINC000008579298

ZINC000008579298 (search)

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

ZINC000013548082 (search)

CC(=O)Nc1ccc(O)cc1 ZINC000013550868

ZINC000013550868 (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)

NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O ZINC000028358893

ZINC000028358893 (search)

CC(=O)Nc1cc2c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O ZINC000028863804

ZINC000028863804 (search)

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

ZINC000032236516 (search)

CCCCCCCCOS(N)(=O)=O ZINC000034717916

ZINC000034717916 (search)

CCCCCCCCCCOS(N)(=O)=O ZINC000034718172

ZINC000034718172 (search)

O=c1ccc2ccc(CCc3ccccc3)cc2o1 ZINC000045245162

ZINC000045245162 (search)

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

ZINC000045260390 (search)

Cc1cc(C)o/c(=N/O)c1 ZINC000073314096

ZINC000073314096 (search)

NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1 ZINC000095573411

ZINC000095573411 (search)

Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2 ZINC000095578669

ZINC000095578669 (search)

O=C(/C=C/c1ccc(O)cc1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000095582222

ZINC000095582222 (search)

NS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCO)c(F)c1F ZINC000095586323

ZINC000095586323 (search)

O=C1C[C@H]2C[C@H](C[C@H](CCc3ccc(O)cc3O)O2)O1 ZINC000096271770

ZINC000096271770 (search)

NS(=O)(=O)c1ccc(CCNc2nc(F)nc(F)n2)cc1 ZINC000096940377

ZINC000096940377 (search)

NS(=O)(=O)c1ccc(Nc2nc(F)nc(NCCO)n2)cc1 ZINC000096940378

ZINC000096940378 (search)

CNc1nc(F)nc(Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000096940379

ZINC000096940379 (search)

COC(=O)CNc1nc(F)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000096940380

ZINC000096940380 (search)

NS(=O)(=O)c1ccc(CCNc2nc(F)nc(NCC(=O)O)n2)cc1 ZINC000096940381

ZINC000096940381 (search)

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

ZINC000100019188 (search)

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

ZINC000101504538 (search)