Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- Oc1ccc(C(=O)COn2c(=O)c3ccccc3c2=O)c(O)c1
MolClass #152839
DJXFCNBDXLZPTI-UHFFFAOYSA-N
- CCc1cc(c(O)cc1O)C(=O)COc1ccccc1F
MolClass #152840
UIPCORYGHWFKKA-UHFFFAOYSA-N
- CCc1cc(C(=O)COc2ccc(cc2)C(C)C)c(O)cc1O
MolClass #152841
VREQUOSGBWTVFL-UHFFFAOYSA-N
- COc1ccccc1C=CC(=O)c1cc(Cl)ccc1O
MolClass #152842
RNKUTENPRDOAMH-UHFFFAOYSA-N
- Oc1ccc(Br)cc1C(=O)C=Cc1ccccc1F
MolClass #152843
NGHHOVXLDNNIGE-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccccc2O)cc1COc1ccc(NC(C)=O)cc1
MolClass #152844
ANXRORRCENSHMN-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21
MolClass #152845
ZXTMIDLNJJMAMT-UHFFFAOYSA-N
- O=C1COc2cc(OC(=O)c3ccccc3)ccc12
MolClass #152846
DHXYEHZZPWRLIG-UHFFFAOYSA-N
- Oc1ccc(C(=O)Cc2ccccc2)c(O)c1O
MolClass #152847
YYKGZYGSFFMVEP-UHFFFAOYSA-N
- COc1ccc(O)c(c1)C(=O)C=Cc1oc2ccccc2c1
MolClass #152848
NBKUUVAJLSZOMN-UHFFFAOYSA-N
- CCc1cc(c(O)cc1O)C(=O)COc1ccc(Cl)cc1
MolClass #152849
SEMWLWJOEPKNLU-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc(O)cc2O)cc1
MolClass #152850
ADRQFDIWPRFKSP-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(C=CC(=O)c2ccc(O)c(O)c2)cc1
MolClass #152851
CUEWOYAEVHHUTJ-UHFFFAOYSA-N
- Oc1ccc(F)cc1C(=O)C=Cc1sccc1
MolClass #152852
VIZDSJZHPSTEAA-UHFFFAOYSA-N
- Cc1ccc(cc1)C=CC(=O)c1cc(C)ccc1O
MolClass #152853
GRHXLDRSCWJMDC-UHFFFAOYSA-N
- CCn1cc(C=CC(=O)c2ccc(O)cc2)c(C)n1
MolClass #152854
SFCUSJOYYNAHAS-UHFFFAOYSA-N
- Cc1cccc(OCC(=O)c2ccc(O)cc2O)c1
MolClass #152855
SWINKNFGLSMXBH-UHFFFAOYSA-N
- Oc1ccc(c(O)c1)C(=O)COc1ccccc1Cl
MolClass #152856
XFCGAVRGFSQLGE-UHFFFAOYSA-N
- Cc1c(O)ccc(c1O)C(=O)COc1ccccc1F
MolClass #152857
ZYCMWPLATLINDX-UHFFFAOYSA-N
- Cc1cc(O)c(cc1C)C(=O)C=Cc1oc2ccccc2c1
MolClass #152858
JTEKWRBWTNXNPR-UHFFFAOYSA-N
- NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc12
MolClass #152859
DRALZJPAMMJDDJ-UHFFFAOYSA-N
- Oc1ccc(C(=O)COc2ccccc2)c(O)c1O
MolClass #152860
KNBIPKBLHVRQPL-UHFFFAOYSA-N
- Cn1c(Cc2ccccc2)nnc1SCC(=O)NCc1cc(ccc1O)C(=O)c1ccccc1
MolClass #152861
IVCBZDGVGDVDKB-UHFFFAOYSA-N
- Cc1ccc(cc1)n1nnnc1SCC(=O)c1ccc(O)cc1
MolClass #152862
KSBCJHNPMZHFGA-UHFFFAOYSA-N
- Oc1ccc(Br)cc1C(=O)C=Cc1sccc1
MolClass #152863
HXCSYQIVFFLNNV-UHFFFAOYSA-N
- CC(=O)c1ccccc1OS(=O)(=O)c1cc(Cl)ccc1Cl
MolClass #152864
NTXAXQJNIMGMAH-UHFFFAOYSA-N
- CC(C)N1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc12
MolClass #152865
DWCFIXQUQARQPN-UHFFFAOYSA-N
- COc1ccc(cc1)c1nnc(SCC(=O)NCc2cc(ccc2O)C(=O)c2ccccc2)n1CC=C
MolClass #152866
DRYKDOLDKHIVLQ-UHFFFAOYSA-N
- Cc1c(O)ccc(c1O)C(=O)Cc1ccc(F)cc1
MolClass #152867
JOYQHSZIPOVVOI-UHFFFAOYSA-N
- Oc1ccc(F)cc1C(=O)C=Cc1cc(Cl)cc2COCOc21
MolClass #152868
PIURPIWMOVRWBZ-UHFFFAOYSA-N
- Cc1ccccc1CC(=O)c1ccc(O)cc1O
MolClass #152869
OPBRIMFSNKPBBC-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(O)c(c1)C(=O)C=Cc1ccc(OC)c(OC)c1
MolClass #152870
GMELYVVJGGTRIY-UHFFFAOYSA-N
- Oc1ccc(c(O)c1)C(=O)Cc1ccc(Br)cc1
MolClass #152871
GVDMPWQNNRNDOG-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2cc(Br)ccc2O)cc1OC
MolClass #152872
XMPJKJCKDAWUCH-UHFFFAOYSA-N
- CCc1cc(c(O)cc1O)C(=O)COc1ccc(F)cc1
MolClass #152873
UADAORZIWZIJNG-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)CC(=O)c2ccc(OC)cc2O)cc1
MolClass #152874
NZUWOAATXJDDFO-UHFFFAOYSA-N
- Cc1cc(O)c(C(=O)COc2ccccc2)c(O)c1
MolClass #152875
USBIMTXZHQUULO-UHFFFAOYSA-N
- Oc1ccccc1C(=O)C=Cc1occc1
MolClass #152876
RTGXXLFEOHIIBM-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC1(O)C(=O)N(CC#C)c2ccccc21
MolClass #152877
POINCUQKTYOZCC-UHFFFAOYSA-N
- COc1ccc(c(O)c1)C(=O)C=Cc1ccccc1F
MolClass #152878
QLUANDVFMYNJND-UHFFFAOYSA-N
- COc1ccc(CC(=O)c2c(O)cc(O)cc2O)cc1OC
MolClass #152879
YRHMQKSNPQNHRN-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc(O)cc2)cc1
MolClass #152880
RTCVAWRRHHSOCC-UHFFFAOYSA-N
- Br.CCCN(CCC)CC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
MolClass #152881
QZSWFTTZALROAA-UHFFFAOYSA-N
- COc1ccc(C(=O)CC(=O)c2ccc(OC)c(OC)c2)c(O)c1
MolClass #152882
ZKYZUTAFOYFZEH-UHFFFAOYSA-N
- Oc1ccc(c(O)c1)C(=O)COc1ccc(Br)cc1
MolClass #152883
UWOMCPWZHHHACR-UHFFFAOYSA-N
- Oc1ccc(C(=O)COc2ccc3ccccc3c2)c(O)c1
MolClass #152884
PZWONDJKMIEKIL-UHFFFAOYSA-N
- Cc1scc(CC(=O)c2ccc(O)cc2O)n1
MolClass #152885
ZYUKDDGJESKRAK-UHFFFAOYSA-N
- Oc1ccc2C(CCC(=O)c2c1)c1ccc(Cl)c(Cl)c1
MolClass #152886
KTKQUJMRVJYDAE-UHFFFAOYSA-N
- Oc1ccc(F)cc1C(=O)C=Cc1ccc(F)cc1
MolClass #152887
MICVLUDXQZRAIN-UHFFFAOYSA-N
- COc1ccccc1C=CC(=O)c1cc(Br)ccc1O
MolClass #152888
QLPUCCUQFOVDMA-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21
MolClass #152889
UXJAPSRZDWQTLQ-UHFFFAOYSA-N
- Oc1cccc(c1)C(=O)CC1OC(=O)c2ccccc12
MolClass #152890
UXGAVKWVJMBOFE-UHFFFAOYSA-N
- CC(C)c1ccccc1OCC(=O)c1ccc(O)cc1O
MolClass #152891
CNYIAQKTZLOMAT-UHFFFAOYSA-N
- CCOc1ccc(CC(=O)c2ccc(O)cc2O)cc1
MolClass #152892
CCSSGESPLNMCLD-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21
MolClass #152893
FDYZGDXXSPPBQL-UHFFFAOYSA-N
- CCc1cc(C(=O)COc2ccc(cc2)c2ccccc2)c(O)cc1O
MolClass #152894
TUCIJRYGMPIFPE-UHFFFAOYSA-N
- Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
MolClass #152895
JQXFBAGVXOGSNK-UHFFFAOYSA-N
- Oc1ccc(c(O)c1)C(=O)Cc1ccccc1F
MolClass #152896
MOSGILKWCKIFKC-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(O)c(c1)C(=O)C=Cc1ccccc1F
MolClass #152897
OUWVPQJYFAJQIA-UHFFFAOYSA-N
- Oc1ccc(Br)cc1C(=O)C=Cc1ccccc1Cl
MolClass #152898
BQJVXUYWOVQBDT-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(OCc2cc(C=CC(=O)c3ccccc3O)ccc2OC)cc1
MolClass #152899
QZXYQPZEYHKQRG-UHFFFAOYSA-N
- Oc1ccc(Cl)cc1C(=O)CC(=O)C=Cc1ccccc1
MolClass #152900
VRAXEZHPLYOLSF-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(OCC(=O)c2cc(CC)c(O)cc2O)cc1
MolClass #152901
WZTVEHWKFICEBT-UHFFFAOYSA-N
- CC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
MolClass #152902
ZCSDOIJUIWYSSV-UHFFFAOYSA-N
- CCc1cc(c(O)cc1O)C(=O)Cc1c(F)cccc1Cl
MolClass #152903
ABRJZQHFNYHBRC-UHFFFAOYSA-N
- [ClH-].CCc1ccc(OCC(=O)c2ccc(O)c(C[NH+](C)C)c2O)cc1
MolClass #152904
LTDPSHGRRDCEOM-UHFFFAOYSA-O
- CCOC(=O)c1oc(CC(=O)c2ccc(O)c(O)c2O)cc1
MolClass #152905
IIDUJWIVMGALOG-UHFFFAOYSA-N
- COc1ccccc1C=CC(=O)c1cc(C)ccc1O
MolClass #152906
VDPFEWCCQGZHGE-UHFFFAOYSA-N
- Oc1ccc(cc1CNC(=O)CSc1ccccn1)C(=O)c1ccccc1
MolClass #152907
CIORKEOCAFIWLE-UHFFFAOYSA-N
- Cc1ccc(cc1)S(=O)(=O)Oc1cc2C(C)=CC(C)(C)n3c(=O)c(=O)c(c1)c32
MolClass #152908
DSQQOMFREMMIBZ-UHFFFAOYSA-N
- COc1ccc(cc1OC)C(=O)CC(=O)c1cc(Cl)ccc1O
MolClass #152909
JXTSHFQTPCUYHZ-UHFFFAOYSA-N
- COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2C(=O)COc2c1
MolClass #152910
JAWBHVDMHTXOQU-UHFFFAOYSA-N
- CC1NC(SCC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)=NC(=O)C=1
MolClass #152911
WTFWYQCDFRUVEM-UHFFFAOYSA-N
- [O-][N+](=O)c1ccccc1OCC(=O)c1cc(CC)c(O)cc1O
MolClass #152912
LUFQOMWNJSMSMQ-UHFFFAOYSA-N
- COc1ccc(c(O)c1)C(=O)C=Cc1ccc(C)cc1
MolClass #152913
RJXHSDFJYBWDGV-UHFFFAOYSA-N
- Cn1nnnc1SCC(=O)c1ccc(O)c(O)c1
MolClass #152914
QFKSVHZBXBNSJK-UHFFFAOYSA-N
- Cc1sc(SCC(=O)c2ccc(O)c(O)c2)nn1
MolClass #152915
KVYCWDRIAHKWKZ-UHFFFAOYSA-N
- Br.Oc1ccc(cc1)C(=O)CN1CCOCC1
MolClass #152916
GCCJLNNARRIOFM-UHFFFAOYSA-N
- O=C(NCc1ccccn1)C12CC3CC(CC(C3)C1)C2
MolClass #152917
SANBFZGNRVMYPL-UHFFFAOYSA-N
- O=C(NCc1ccccn1)C(=O)Nc1ccc(Oc2ccccc2)cc1
MolClass #152918
RNFWAACFEUAZFU-UHFFFAOYSA-N
- CC(C)(C)c1ccccc1OCC(=O)NCc1ccccn1
MolClass #152919
NGLGDUHZFMJTDY-UHFFFAOYSA-N
- Cc1ccc(cc1NCc1ccccn1)C(O)=O
MolClass #152920
GPDLJUAQYBFOMJ-UHFFFAOYSA-N
- O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NCc2ccccn2)cc1
MolClass #152921
SKTPMWPMFWLBRZ-UHFFFAOYSA-N
- COC(=O)c1ccc(cc1)n1nnnc1SCC(=O)c1ccc(O)c(O)c1
MolClass #152922
KPNQCOURUSDDGJ-UHFFFAOYSA-N
- Cn1ncc(C=CC(=O)c2ccc(O)cc2)c1C
MolClass #152923
FJZDNPYEPPHCKQ-UHFFFAOYSA-N
- Cn1c(SCC(=O)NCc2cc(ccc2O)C(=O)c2ccccc2)nnc1c1ccc(C)cc1
MolClass #152924
RQKDZIAEFSEKDD-UHFFFAOYSA-N
- O=C(NCc1ccccn1)c1cccc(c1)C(=O)NCc1ccccn1
MolClass #152925
BCSQPSJHVFGECU-UHFFFAOYSA-N
- O=C(Cc1ccc(cc1)c1ccccc1)NCc1ccccn1
MolClass #152926
BLVRMGRPFNQVBT-UHFFFAOYSA-N
- FC(F)(F)c1nc2ccccc2n1Cc1noc(n1)C(=O)NCc1ccccn1
MolClass #152927
HWJJPFCLPHYYGT-UHFFFAOYSA-N
- C(Nc1ccc(cc1)c1oc2cccnc2n1)c1ccccn1
MolClass #152928
UMYOJOVPNFHDQA-UHFFFAOYSA-N
- FC(F)(F)c1ccccc1NC(=O)NCc1ccccn1
MolClass #152929
KREIUPUCDXOLPI-UHFFFAOYSA-N
- NC(=O)c1ccc(cc1)n1nnnc1SCC(=O)c1ccc(O)c(O)c1
MolClass #152930
IORNAGYAHIJMSI-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC(=O)C=Cc1ccccc1
MolClass #152931
KBYOCHQZOLKAIX-UHFFFAOYSA-N
- Cc1cccc(c1)c1nc2CCCCc2c(SCC(=O)c2ccc(O)c(O)c2)n1
MolClass #152932
FUMGDMGBZJMRHU-UHFFFAOYSA-N
- Oc1ccc(cc1O)C(=O)CSc1nnnn1c1cccc2ccccc21
MolClass #152933
JBGZPLIULYWWGC-UHFFFAOYSA-N
- Cn1c(SCC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nnc1c1ccncc1
MolClass #152934
KLEPUSKSKTUVBQ-UHFFFAOYSA-N
- C(NC12CC3CC(CC(C3)C1)C2)c1ccccn1
MolClass #152935
JZNCCSXXPQMODA-UHFFFAOYSA-N
- CC(C)c1ccc(NC(=O)NCc2ccccn2)cc1
MolClass #152936
AKAQZVNOPLUFBR-UHFFFAOYSA-N
- COc1ccc(cc1NCc1ccccn1)C(O)=O
MolClass #152937
LSCAALPLWITLJT-UHFFFAOYSA-N
- COc1cccc2cc(oc12)C(=O)NCc1ccccn1
MolClass #152938
HGCWOJVDJNJVDK-UHFFFAOYSA-N