Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- LOPAC 00674
MolClass #1
JKOQGQFVAUAYPM-UHFFFAOYSA-N
- LOPAC 00364
MolClass #2
MYDMWESTDPJANS-UHFFFAOYSA-N
- LOPAC 00018
MolClass #3
- LOPAC 00327
MolClass #4
VOROEQBFPPIACJ-UHFFFAOYSA-N
- LOPAC 00645
MolClass #5
OZDWAHBMLHXZTI-UHFFFAOYSA-N
- LOPAC 00669
MolClass #6
NQRKYASMKDDGHT-UHFFFAOYSA-N
- LOPAC 00673
MolClass #7
JAJWGJBVLPIOOH-UHFFFAOYSA-M
- LOPAC 00565
MolClass #8
JJMDCOVWQOJGCB-UHFFFAOYSA-N
- LOPAC 00569
MolClass #9
BZKPWHYZMXOIDC-UHFFFAOYSA-N
- LOPAC 00598
MolClass #10
BTCSSZJGUNDROE-UHFFFAOYSA-N
- LOPAC 00592
MolClass #11
XJLSEXAGTJCILF-UHFFFAOYSA-N
- LOPAC 00581
MolClass #12
NHTGHBARYWONDQ-UHFFFAOYSA-N
- LOPAC 00647
MolClass #13
GSCPDZHWVNUUFI-UHFFFAOYSA-N
- LOPAC 00650
MolClass #14
- LOPAC 00646
MolClass #15
IADUEWIQBXOCDZ-UHFFFAOYSA-N
- LOPAC 00663
MolClass #16
DLFVBJFMPXGRIB-UHFFFAOYSA-N
- LOPAC 00664
MolClass #17
POHHFIIXXRDDJW-UHFFFAOYSA-N
- LOPAC 00167
MolClass #18
NUKYPUAOHBNCPY-UHFFFAOYSA-N
- LOPAC 00657
MolClass #19
RXMUPNVSYKGKMY-UHFFFAOYSA-N
- LOPAC 00408
MolClass #20
HAMNKKUPIHEESI-UHFFFAOYSA-N
- LOPAC 00662
MolClass #21
BDJRBEYXGGNYIS-UHFFFAOYSA-N
- LOPAC 00228
MolClass #22
ZWJINEZUASEZBH-UHFFFAOYSA-N
- LOPAC 00648
MolClass #23
SFLSHLFXELFNJZ-UHFFFAOYSA-N
- LOPAC 00001
MolClass #24
PIPAJLPNWZMYQA-UHFFFAOYSA-N
- LOPAC 00666
MolClass #25
VZCYOOQTPOCHFL-OWOJBTEDSA-N
- LOPAC 00668
MolClass #26
JCXKHYLLVKZPKE-UHFFFAOYSA-N
- LOPAC 00660
MolClass #27
GFFIJCYHQYHUHB-UHFFFAOYSA-N
- LOPAC 01318
MolClass #28
- LOPAC 00084
MolClass #29
QYPPJABKJHAVHS-UHFFFAOYSA-N
- LOPAC 00557
MolClass #30
- LOPAC 00654
MolClass #31
KFNRJXCQEJIBER-UHFFFAOYSA-N
- LOPAC 00087
MolClass #32
IEJXVRYNEISIKR-UHFFFAOYSA-N
- LOPAC 00324
MolClass #33
DDOQBQRIEWHWBT-UHFFFAOYSA-N
- LOPAC 00659
MolClass #34
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
- LOPAC 00656
MolClass #35
SNKZJIOFVMKAOJ-UHFFFAOYSA-M
- LOPAC 00326
MolClass #36
LBTABPSJONFLPO-UHFFFAOYSA-N
- LOPAC 00661
MolClass #37
OSVMTWJCGUFAOD-UHFFFAOYSA-N
- LOPAC 00667
MolClass #38
WTYSXBKKVNOOIX-DTSWOWDFSA-N
- LOPAC 00679
MolClass #39
WPANETAWYGDRLL-UHFFFAOYSA-N
- LOPAC 00362
MolClass #40
- LOPAC 00644
MolClass #41
PAJPWUMXBYXFCZ-UHFFFAOYSA-N
- LOPAC 00171
MolClass #42
NZWOPGCLSHLLPA-UHFFFAOYSA-N
- LOPAC 01303
MolClass #43
- LOPAC 00023
MolClass #44
SSMIFVHARFVINF-UHFFFAOYSA-N
- LOPAC 00409
MolClass #45
ODKSFYDXXFIFQN-UHFFFAOYSA-N
- LOPAC 00672
MolClass #46
NWPCXGGYSQHQGM-UHFFFAOYSA-N
- LOPAC 00602
MolClass #47
WBSMZVIMANOCNX-UHFFFAOYSA-N
- LOPAC 00680
MolClass #48
GSZQTIFGANBTNF-UHFFFAOYSA-N
- LOPAC 00353
MolClass #49
PWKSKIMOESPYIA-UHFFFAOYSA-N
- LOPAC 00685
MolClass #50
SLXKOJJOQWFEFD-UHFFFAOYSA-N
- LOPAC 01302
MolClass #51
YLEARPUNMCCKMP-DOFZRALJSA-N
- LOPAC 00017
MolClass #52
- LOPAC 00694
MolClass #53
IVOMOUWHDPKRLL-UHFFFAOYSA-N
- LOPAC 00689
MolClass #54
UUVWYPNAQBNQJQ-UHFFFAOYSA-N
- LOPAC 00020
MolClass #55
CDMZOKMMANFJMU-UHFFFAOYSA-N
- LOPAC 00489
MolClass #56
VGZSUPCWNCWDAN-UHFFFAOYSA-N
- LOPAC 00337
MolClass #57
JMVIGOFRIJJUAW-UHFFFAOYSA-N
- LOPAC 00177
MolClass #58
FSEUPUDHEBLWJY-HWKANZROSA-N
- LOPAC 00681
MolClass #59
OYIFNHCXNCRBQI-UHFFFAOYSA-N
- LOPAC 00686
MolClass #60
AGSOOCUNMTYPSE-UHFFFAOYSA-N
- LOPAC 00690
MolClass #61
OFSAJYZMIPNPHE-UHFFFAOYSA-N
- LOPAC 00332
MolClass #62
HGMDNMBBCKDWTQ-UHFFFAOYSA-N
- LOPAC 00658
MolClass #63
YXBQLONCIPUQKO-UHFFFAOYSA-N
- LOPAC 00330
MolClass #64
YFYNOWXBIBKGHB-UHFFFAOYSA-N
- LOPAC 01326
MolClass #65
NHVRIDDXGZPJTJ-UHFFFAOYSA-N
- LOPAC 00665
MolClass #66
QDERNBXNXJCIQK-UHFFFAOYSA-N
- LOPAC 00682
MolClass #67
- LOPAC 00566
MolClass #68
- LOPAC 00653
MolClass #69
KZNIFHPLKGYRTM-UHFFFAOYSA-N
- LOPAC 00170
MolClass #70
KEECCEWTUVWFCV-UHFFFAOYSA-N
- LOPAC 01327
MolClass #71
FMKJUUQOYOHLTF-UPHRSURJSA-N
- LOPAC 00085
MolClass #72
SHXVJSFOJHMEEQ-UHFFFAOYSA-N
- LOPAC 00671
MolClass #73
RVIUMPLAOXSSGN-UHFFFAOYSA-N
- LOPAC 00695
MolClass #74
RQQJJXVETXFINY-UHFFFAOYSA-N
- LOPAC 00670
MolClass #75
NBYATBIMYLFITE-UHFFFAOYSA-N
- LOPAC 00574
MolClass #76
HTHGAIADRJRJOY-UHFFFAOYSA-N
- LOPAC 00696
MolClass #77
AEMFNILZOJDQLW-UHFFFAOYSA-N
- LOPAC 00334
MolClass #78
ZXNRTKGTQJPIJK-UHFFFAOYSA-N
- LOPAC 00485
MolClass #79
- LOPAC 00333
MolClass #80
WOXWUZCRWJWTRT-UHFFFAOYSA-N
- LOPAC 00243
MolClass #81
DKNWSYNQZKUICI-UHFFFAOYSA-N
- LOPAC 00339
MolClass #82
LSTPKMWNRWCNLS-UHFFFAOYSA-N
- LOPAC 00706
MolClass #83
AZQWKYJCGOJGHM-UHFFFAOYSA-N
- LOPAC 00083
MolClass #84
METKIMKYRPQLGS-UHFFFAOYSA-N
- LOPAC 00655
MolClass #85
WDEABJKSGGRCQA-UHFFFAOYSA-N
- LOPAC 00651
MolClass #86
GIXWDMTZECRIJT-UHFFFAOYSA-N
- LOPAC 00567
MolClass #87
ROBVIMPUHSLWNV-UHFFFAOYSA-N
- LOPAC 00002
MolClass #88
- LOPAC 00564
MolClass #89
YLJREFDVOIBQDA-UHFFFAOYSA-N
- LOPAC 00487
MolClass #90
FZSPJBYOKQPKCD-UHFFFAOYSA-N
- LOPAC 00244
MolClass #91
- LOPAC 00101
MolClass #92
- LOPAC 00416
MolClass #93
YUFCOOWNNHGGOD-UHFFFAOYSA-M
- LOPAC 00683
MolClass #94
CBMYJHIOYJEBSB-UHFFFAOYSA-N
- LOPAC 00687
MolClass #95
MGSKVZWGBWPBTF-UHFFFAOYSA-N
- LOPAC 00325
MolClass #96
CKLJMWTZIZZHCS-UHFFFAOYSA-N
- LOPAC 00328
MolClass #97
HCKUBNLZMKAEIN-UHFFFAOYSA-N
- LOPAC 00009
MolClass #98
- LOPAC 00612
MolClass #99
- LOPAC 00406
MolClass #100
SMPNJFHAPJOHPP-UHFFFAOYSA-M