Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- LOPAC 00572
MolClass #101
BJNIHWSOVCDBHS-UHFFFAOYSA-N
- LOPAC 00329
MolClass #102
PIXJURSCCVBKRF-UHFFFAOYSA-N
- LOPAC 00684
MolClass #103
WNNNWFKQCKFSDK-UHFFFAOYSA-N
- LOPAC 00165
MolClass #104
XSDQTOBWRPYKKA-UHFFFAOYSA-N
- LOPAC 00053
MolClass #105
RQWOHGAQECLWCJ-LGRNBLSQSA-N
- LOPAC 00697
MolClass #106
QGXBDMJGAMFCBF-UHFFFAOYSA-N
- LOPAC 00060
MolClass #107
- LOPAC 01325
MolClass #108
AVGWYMLCNKIXFE-UHFFFAOYSA-N
- LOPAC 00245
MolClass #109
QLJOSZATCBCBDR-UHFFFAOYSA-N
- LOPAC 00702
MolClass #110
ILXFKEOLRYLPJG-UHFFFAOYSA-K
- LOPAC 00178
MolClass #111
HJJPJSXJAXAIPN-UHFFFAOYSA-N
- LOPAC 00439
MolClass #112
DCVZSHVZGVWQKV-UHFFFAOYSA-N
- LOPAC 00082
MolClass #113
PAZJSJFMUHDSTF-UHFFFAOYSA-N
- LOPAC 00412
MolClass #114
BATVOUKHGLKDGQ-UHFFFAOYSA-N
- LOPAC 00705
MolClass #115
HHVVFSZNIUHMEJ-UHFFFAOYSA-N
- LOPAC 00015
MolClass #116
XNOBOKJVOTYSJV-UHFFFAOYSA-J
- LOPAC 00022
MolClass #117
HAUGRYOERYOXHX-UHFFFAOYSA-N
- LOPAC 00169
MolClass #118
SPHRJZBOFYIKMC-UHFFFAOYSA-N
- LOPAC 00576
MolClass #119
KXDAEFPNCMNJSK-UHFFFAOYSA-N
- LOPAC 00709
MolClass #120
- LOPAC 00716
MolClass #121
MAEIEVLCKWDQJH-UHFFFAOYSA-N
- LOPAC 00573
MolClass #122
KPYSYYIEGFHWSV-UHFFFAOYSA-N
- LOPAC 00164
MolClass #123
RKUNBYITZUJHSG-UHFFFAOYSA-N
- LOPAC 00708
MolClass #124
BYUCSFWXCMTYOI-ZRDIBKRKSA-N
- LOPAC 00246
MolClass #125
SNPPWIUOZRMYNY-UHFFFAOYSA-N
- LOPAC 00099
MolClass #126
OSUVWJGCKQEMHK-UHFFFAOYSA-N
- LOPAC 00742
MolClass #127
KPSRODZRAIWAKH-UHFFFAOYSA-N
- LOPAC 00748
MolClass #128
XLWJPQQFJNGUPA-UHFFFAOYSA-N
- LOPAC 00703
MolClass #129
NBMKJKDGKREAPL-UHFFFAOYSA-N
- LOPAC 00247
MolClass #130
- LOPAC 00717
MolClass #131
KWIUHFFTVRNATP-UHFFFAOYSA-O
- LOPAC 00723
MolClass #132
- LOPAC 00016
MolClass #133
PLYRYAHDNXANEG-UHFFFAOYSA-N
- LOPAC 00733
MolClass #134
ODZBBRURCPAEIQ-OWOJBTEDSA-N
- LOPAC 00019
MolClass #135
JFRJCQJVFMHZOO-UHFFFAOYSA-N
- LOPAC 00100
MolClass #136
ZNXAJGZPUQOEDZ-UHFFFAOYSA-N
- LOPAC 00743
MolClass #137
- LOPAC 00749
MolClass #138
XGWATTXMMMANFJ-UHFFFAOYSA-N
- LOPAC 00756
MolClass #139
OEYIOHPDSNJKLS-UHFFFAOYSA-N
- LOPAC 00710
MolClass #140
- LOPAC 00718
MolClass #141
SXKNCCSPZDCRFD-UHFFFAOYSA-N
- LOPAC 00724
MolClass #142
VHKZGNPOHPFPER-ONNFQVAWSA-N
- LOPAC 00415
MolClass #143
DVKQVRZMKBDMDH-UHFFFAOYSA-M
- LOPAC 00698
MolClass #144
XCPGHVQEEXUHNC-UHFFFAOYSA-N
- LOPAC 00176
MolClass #145
ZFLWDHHVRRZMEI-UHFFFAOYSA-N
- LOPAC 00652
MolClass #146
NMUSYJAQQFHJEW-UHFFFAOYSA-N
- LOPAC 00744
MolClass #147
DLGOEMSEDOSKAD-UHFFFAOYSA-N
- LOPAC 00490
MolClass #148
MKUXAQIIEYXACX-UHFFFAOYSA-N
- LOPAC 00420
MolClass #149
- LOPAC 00711
MolClass #150
VBTQNRFWXBXZQR-UHFFFAOYSA-N
- LOPAC 00719
MolClass #151
NDNKHWUXXOFHTD-UHFFFAOYSA-N
- LOPAC 00725
MolClass #152
NWIUTZDMDHAVTP-UHFFFAOYSA-N
- LOPAC 00693
MolClass #153
DRZDMSPFGPTPER-UHFFFAOYSA-N
- LOPAC 00734
MolClass #154
XFDVJGKSQRUEEM-UHFFFAOYSA-N
- LOPAC 00736
MolClass #155
BPLURRWZRNOJMR-UHFFFAOYSA-N
- LOPAC 00102
MolClass #156
SNJIJYKMYQRHRC-UHFFFAOYSA-M
- LOPAC 00568
MolClass #157
HBOMLICNUCNMMY-UHFFFAOYSA-N
- LOPAC 00751
MolClass #158
DYDCUQKUCUHJBH-UHFFFAOYSA-N
- LOPAC 00757
MolClass #159
WOCXQMCIOTUMJV-UHFFFAOYSA-N
- LOPAC 00021
MolClass #160
LDYMCRRFCMRFKB-UHFFFAOYSA-N
- LOPAC 00720
MolClass #161
UAIYNMRLUHHRMF-AATRIKPKSA-N
- LOPAC 00727
MolClass #162
PXXJHWLDUBFPOL-UHFFFAOYSA-N
- LOPAC 00634
MolClass #163
PDMUULPVBYQBBK-UHFFFAOYSA-N
- LOPAC 00092
MolClass #164
SBUQBFTXTZSRMH-UHFFFAOYSA-N
- LOPAC 00057
MolClass #165
BRSNNJIJEZWSBU-UHFFFAOYSA-N
- LOPAC 00539
MolClass #166
- LOPAC 00745
MolClass #167
QAIPRVGONGVQAS-DUXPYHPUSA-N
- LOPAC 00752
MolClass #168
OZSMSRIUUDGTEP-UHFFFAOYSA-N
- LOPAC 00758
MolClass #169
- LOPAC 00713
MolClass #170
KXDROGADUISDGY-UHFFFAOYSA-N
- LOPAC 00721
MolClass #171
WOVKYSAHUYNSMH-UHFFFAOYSA-N
- LOPAC 00728
MolClass #172
UREBDLICKHMUKA-UHFFFAOYSA-N
- LOPAC 00731
MolClass #173
VGGGPCQERPFHOB-UHFFFAOYSA-N
- LOPAC 00735
MolClass #174
RTYBGDQNUBLFSW-UHFFFAOYSA-N
- LOPAC 00729
MolClass #175
VOVIALXJUBGFJZ-UHFFFAOYSA-N
- LOPAC 00738
MolClass #176
- LOPAC 00746
MolClass #177
RRGUKTPIGVIEKM-UHFFFAOYSA-N
- LOPAC 00692
MolClass #178
ASEOEGXVKNFXKD-UHFFFAOYSA-N
- LOPAC 00759
MolClass #179
OMFXVFTZEKFJBZ-UHFFFAOYSA-N
- LOPAC 00714
MolClass #180
KJQFBVYMGADDTQ-UHFFFAOYSA-N
- LOPAC 00054
MolClass #181
XTPOZVLRZZIEBW-UHFFFAOYSA-N
- LOPAC 00704
MolClass #182
MQNYRKWJSMQECI-UHFFFAOYSA-N
- LOPAC 00098
MolClass #183
AAQOQKQBGPPFNS-UHFFFAOYSA-N
- LOPAC 01343
MolClass #184
RAVIZVQZGXBOQO-UHFFFAOYSA-N
- LOPAC 00753
MolClass #185
PFTAWBLQPZVEMU-UHFFFAOYSA-N
- LOPAC 00741
MolClass #186
JCKYGMPEJWAADB-UHFFFAOYSA-N
- LOPAC 00008
MolClass #187
RYYVLZVUVIJVGH-UHFFFAOYSA-N
- LOPAC 00030
MolClass #188
RKWGIWYCVPQPMF-UHFFFAOYSA-N
- LOPAC 00486
MolClass #189
QWGDMFLQWFTERH-UHFFFAOYSA-N
- LOPAC 00491
MolClass #190
QWCRAEMEVRGPNT-UHFFFAOYSA-N
- LOPAC 00248
MolClass #191
BNQDCRGUHNALGH-UHFFFAOYSA-N
- LOPAC 00011
MolClass #192
OIRDTQYFTABQOQ-UHFFFAOYSA-N
- LOPAC 01304
MolClass #193
NNAIYOXJNVGUOM-UHFFFAOYSA-N
- LOPAC 00492
MolClass #194
AYYCFGDXLUPJAQ-UHFFFAOYSA-N
- LOPAC 00475
MolClass #195
XPFWOFMPTYRXNI-UHFFFAOYSA-L
- LOPAC 00747
MolClass #196
CMSMOCZEIVJLDB-UHFFFAOYSA-N
- LOPAC 00754
MolClass #197
ZCEPWIDYPWMCOY-UHFFFAOYSA-N
- LOPAC 00761
MolClass #198
MFYSYFVPBJMHGN-UHFFFAOYSA-N
- LOPAC 00750
MolClass #199
YNZFFALZMRAPHQ-UHFFFAOYSA-N
- LOPAC 00423
MolClass #200
PMATZTZNYRCHOR-IMVLJIQESA-N