TTR

Reference Set (86 Compounds)

O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1 ZINC000000001083

ZINC000000001083 (search)

O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl ZINC000000001281

ZINC000000001281 (search)

Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl ZINC000000001655

ZINC000000001655 (search)

Cc1c(Cl)cccc1Nc1ccccc1C(=O)O ZINC000000002188

ZINC000000002188 (search)

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

ZINC000000006787 (search)

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

ZINC000000012342 (search)

O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000000020243

ZINC000000020243 (search)

Cc1oc(CSCc2cc(C(=O)O)c(C)o2)cc1C(=O)O ZINC000000041425

ZINC000000041425 (search)

O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000000086535

ZINC000000086535 (search)

O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000000125031

ZINC000000125031 (search)

COc1ccccc1CC(=O)c1ccc(O)cc1O ZINC000000141044

ZINC000000141044 (search)

Oc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl ZINC000000294550

ZINC000000294550 (search)

CCOc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000000466974

ZINC000000466974 (search)

O=C(O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 ZINC000000799880

ZINC000000799880 (search)

O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O ZINC000000899870

ZINC000000899870 (search)

O=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 ZINC000000975267

ZINC000000975267 (search)

N#CC1=C(SCc2ccccc2)S[C@H](c2ccccc2O)NC1=O ZINC000001094957

ZINC000001094957 (search)

O=C1C(Br)=CC(=NS(=O)(=O)c2ccccc2)C=C1Br ZINC000001509265

ZINC000001509265 (search)

O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12 ZINC000001532216

ZINC000001532216 (search)

COc1cc(/C=C/C(=O)OCCc2ccccc2)ccc1O ZINC000001642021

ZINC000001642021 (search)

CN1C(=O)C(=O)c2ccccc21 ZINC000001675288

ZINC000001675288 (search)

COc1cc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000001863454

ZINC000001863454 (search)

O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000002170217

ZINC000002170217 (search)

Cc1n[nH]c(C)c1CCCOc1ccccc1F ZINC000002494502

ZINC000002494502 (search)

O=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 ZINC000003034619

ZINC000003034619 (search)

CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc(Br)c1OCc1ccccc1C ZINC000003642618

ZINC000003642618 (search)

O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl ZINC000003805798

ZINC000003805798 (search)

Oc1c(I)cc(I)cc1I ZINC000003861066

ZINC000003861066 (search)

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 ZINC000003870412

ZINC000003870412 (search)

O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 ZINC000003871576

ZINC000003871576 (search)

Oc1ccccc1-c1nnc(S)o1 ZINC000004673267

ZINC000004673267 (search)

O=c1[nH]c(=O)c2sc3nc(C(F)(F)F)cc(Cc4ccccc4)c3c2[nH]1 ZINC000004686863

ZINC000004686863 (search)

$CSC1=NSC2=NC(=O)/C(=C\c3cccc4ccccc34)C(=N)N12 ZINC000004971103$

ZINC000004971103 (search)

CN1C(=N)NC(=O)/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000005022575

ZINC000005022575 (search)

O=c1c(Oc2ccccc2Cl)c(C(F)(F)F)oc2cc(O)ccc12 ZINC000005636943

ZINC000005636943 (search)

COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1O ZINC000005661790

ZINC000005661790 (search)

O=c1c(Oc2ccccc2Br)coc2cc(O)ccc12 ZINC000005731326

ZINC000005731326 (search)

CC1(C)NC(=O)C(C#N)=C(SCc2ccccc2)S1 ZINC000006720975

ZINC000006720975 (search)

$Cc1ccccc1/C=C1\SC(=O)NC1=O ZINC000012408932$

ZINC000012408932 (search)

O=C1NC(=O)/C(=C/c2cccc(C(F)(F)F)c2)S1 ZINC000012576047

ZINC000012576047 (search)

O=C1Nc2ccccc2/C1=N/c1ccc([N+](=O)[O-])cc1 ZINC000012620329

ZINC000012620329 (search)

$COc1c(Br)cc(/C=C2\SC(=O)NC2=O)cc1Br ZINC000016194447$

ZINC000016194447 (search)

COc1ccc(/N=C2/C(=O)Nc3ccccc32)cc1 ZINC000018142562

ZINC000018142562 (search)

O=C(Nc1ncn[nH]1)c1c(Cl)ccc(Cl)c1Cl ZINC000018144244

ZINC000018144244 (search)

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

ZINC000018185774 (search)

$COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1C ZINC000020207772$

ZINC000020207772 (search)

Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1 ZINC000020643439

ZINC000020643439 (search)

Oc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl ZINC000028869356

ZINC000028869356 (search)

OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 ZINC000028869360

ZINC000028869360 (search)

COc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl ZINC000028869363

ZINC000028869363 (search)

COc1cc(C(=O)O)ccc1Oc1ccc(Cl)cc1Cl ZINC000028869366

ZINC000028869366 (search)

O=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 ZINC000028869369

ZINC000028869369 (search)

COc1cc(CCl)ccc1Oc1ccccc1 ZINC000028869372

ZINC000028869372 (search)

COc1cc(C=O)ccc1Oc1ccccc1 ZINC000028869374

ZINC000028869374 (search)

O=C(O)c1ccc(Oc2ccccc2)c(O)c1 ZINC000028869377

ZINC000028869377 (search)

Cc1cc(/C=C/c2ccccc2)cc(C)c1O ZINC000029548831

ZINC000029548831 (search)

Cc1cc(/C=C/c2cccc(C(=O)O)c2)cc(C)c1O ZINC000029555105

ZINC000029555105 (search)

O=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)S1 ZINC000033603449

ZINC000033603449 (search)

Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 ZINC000035342789

ZINC000035342789 (search)

O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000036384898

ZINC000036384898 (search)

O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1 ZINC000043206271

ZINC000043206271 (search)

$CN1C(=O)/C(=N\c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000045254856$

ZINC000045254856 (search)

Cc1cc(/C=C/c2cccc(C(=O)Sc3ccccc3)c2)cc(C)c1O ZINC000058538392

ZINC000058538392 (search)

O=C(Sc1ccccc1)c1cccc(/C=C/c2cc(Br)c(O)c(Br)c2)c1 ZINC000058541181

ZINC000058541181 (search)

Cc1cc(/C=C/c2cccc(C(=O)Oc3ccccc3[N+](=O)[O-])c2)cc(C)c1O ZINC000058563531

ZINC000058563531 (search)

Cc1cc(/C=C/c2cccc(C(=O)Oc3ccc(F)cc3)c2)cc(C)c1O ZINC000058564064

ZINC000058564064 (search)

O=Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 ZINC000096900552

ZINC000096900552 (search)

Cc1n[nH]c(C)c1CCCOc1cc(C(=O)O)ccc1F ZINC000098207925

ZINC000098207925 (search)

$Cc1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1 ZINC000100225169$

ZINC000100225169 (search)

$COc1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1 ZINC000100346751$

ZINC000100346751 (search)

CC1=C(CCC(=O)O)C(=O)N2c3ccccc3N[C@H]2[C@@H]1C#N ZINC000144037306

ZINC000144037306 (search)

O=C(O)Cc1ccccc1Nc1c(O)cccc1Cl ZINC000144040848

ZINC000144040848 (search)

Cc1ccc(O)c(Nc2ccccc2C(=O)O)c1Cl ZINC000144047136

ZINC000144047136 (search)

COC(=O)c1ccc(F)c(OCCCc2c(C)n[nH]c2C)c1 ZINC000219361623

ZINC000219361623 (search)

O=C(O)c1cccc(/C=C/c2ccc(O)cc2)c1 ZINC000221739162

ZINC000221739162 (search)

N#CC1(C#N)c2c([nH]c3ccccc23)O[C@@H]2c3ccccc3C(=O)[C@@H]21 ZINC000231376711

ZINC000231376711 (search)

Cc1cc(/C=C/c2cc3ccc(O)cc3nc2Cl)cc(C)c1O ZINC001772572963

ZINC001772572963 (search)

O=C(O)c1cccc(/C=C/c2ccc(O)cc2Cl)c1 ZINC001772573676

ZINC001772573676 (search)

Cc1oc(/C=C/c2ccc(Cl)o2)cc1C(=O)O ZINC001772582853

ZINC001772582853 (search)

Cc1c(C(=O)O)coc1/C=C/c1ccc(Cl)o1 ZINC001772638255

ZINC001772638255 (search)

Oc1ccc(/C=C/c2ccc(O)cc2Cl)c(Cl)c1 ZINC001772639551

ZINC001772639551 (search)

Oc1cc(O)cc(/C=C/c2ccc(O)cc2Cl)c1 ZINC001772641155

ZINC001772641155 (search)

Cc1cc(C#Cc2ccc3cc([N+](=O)[O-])ccc3n2)cc(C)c1O ZINC001772642901

ZINC001772642901 (search)

Cc1cc(C#Cc2ccc3ccccc3n2)cc(C)c1O ZINC001772652159

ZINC001772652159 (search)

Cc1cc(C#Cc2ccc3cc(O)ccc3n2)cc(C)c1O ZINC001772653365

ZINC001772653365 (search)

Cc1cc(C#Cc2ccc3cc(N)ccc3n2)cc(C)c1O ZINC001772657929

ZINC001772657929 (search)