LOX1.1

Reference Set (40 Compounds)

CS(=O)(=O)c1ccc(C#CC(=O)c2ccc(O)cc2)cc1 ZINC000013683351

ZINC000013683351 (search)

CS(=O)(=O)c1ccc(C#CC(=O)c2cccc(O)c2)cc1 ZINC000013683360

ZINC000013683360 (search)

CS(=O)(=O)c1ccc(C#CC(=O)c2ccc(F)c(F)c2)cc1 ZINC000013683346

ZINC000013683346 (search)

CS(=O)(=O)c1ccc(C#CC(=O)c2ccc(C#N)cc2)cc1 ZINC000013683338

ZINC000013683338 (search)

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

ZINC000000058172 (search)

COc1cc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC ZINC000013683368

ZINC000013683368 (search)

COc1cccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000013683355

ZINC000013683355 (search)

C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br ZINC000013474189

ZINC000013474189 (search)

C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl ZINC000013474188

ZINC000013474188 (search)

CCc1cc(O)c(O)cc1C[C@H](C)[C@H](C)Cc1cc(O)c(O)cc1CC ZINC000013474192

ZINC000013474192 (search)

C[C@@H](Cc1ccc2c(c1)OC(C)(C)O2)[C@H](C)Cc1ccc(O)c(O)c1 ZINC000026636924

ZINC000026636924 (search)

COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC000013507842

ZINC000013507842 (search)

C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 ZINC000000012342

ZINC000000012342 (search)

CCCc1nc(N2CCN(C)CC2)nc2c1Nc1ccccc1S2 ZINC000098081965

ZINC000098081965 (search)

Cc1nc(N2CCN(C)CC2)nc2c1Nc1ccccc1S2 ZINC000028646986

ZINC000028646986 (search)

O=C(OCCC12CC3CC(CC(C3)C1)C2)c1cc(N(O)[C@H]2CCCO2)on1 ZINC000653785938

ZINC000653785938 (search)

CCCc1nc(N2CCC(C)CC2)nc2c1Nc1ccccc1S2 ZINC000098083861

ZINC000098083861 (search)

CCCc1nc(N2CCCCC2)nc2c1Nc1ccccc1S2 ZINC000098083860

ZINC000098083860 (search)

$CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)O ZINC000049757222$

ZINC000049757222 (search)

C[C@@]12CC3CC(OC(=O)c4cc(N(O)[C@H]5CCCO5)on4)(C1)C[C@](C)(C3)C2 ZINC000653785921

ZINC000653785921 (search)

COc1cc(/C=C/C(=O)c2c(C)n(O)c3ccccc3[n+]2=O)ccc1O ZINC000146695995

ZINC000146695995 (search)

CCCc1nc(N2CCN(c3ccccc3)CC2)nc2c1Nc1ccccc1S2 ZINC000098083863

ZINC000098083863 (search)

CCCc1nc(N2CCCC2)nc2c1Nc1ccccc1S2 ZINC000098083859

ZINC000098083859 (search)

CCCc1nc(N2CCOCC2)nc2c1Nc1ccccc1S2 ZINC000098083862

ZINC000098083862 (search)

COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000006487283

ZINC000006487283 (search)

O=C(OC1C2CC3CC(C2)CC1C3)c1cc(N(O)[C@H]2CCCO2)on1 ZINC000653781677

ZINC000653781677 (search)

CC[C@H](C)/C=C(C)/C=C/C1=CC2=CC(=O)[C@@](C)(OC(C)=O)C(=O)C2=CO1 ZINC000200412358

ZINC000200412358 (search)

$CCCC/C=C\CCCCCCCCCc1cccc(O)c1C(=O)O ZINC000014502343$

ZINC000014502343 (search)

CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(=O)O)cc1 ZINC000073223583

ZINC000073223583 (search)

COc1cc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)ccc1O ZINC000013683385

ZINC000013683385 (search)

COc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)c2ccccc12 ZINC000013683381

ZINC000013683381 (search)

COc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1O ZINC000013683388

ZINC000013683388 (search)

CC(C)c1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013683330

ZINC000013683330 (search)

CSc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013683404

ZINC000013683404 (search)

CS(=O)(=O)c1ccc(C#CC(=O)c2ccc(F)cc2)cc1 ZINC000013683342

ZINC000013683342 (search)

CCCc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013683323

ZINC000013683323 (search)

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000018185774

ZINC000018185774 (search)

COc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013683349

ZINC000013683349 (search)

CS(=O)(=O)c1ccc(C#CC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013683400

ZINC000013683400 (search)

COC(=O)c1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013683372

ZINC000013683372 (search)