Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- MWP 00823
MolClass #81108
OZCFRRGQGBYEGH-UHFFFAOYSA-N
- NH 00218
MolClass #81109
LMQPXOPPXVULCP-UHFFFAOYSA-N
- NH 00309
MolClass #81110
ZESDSUFNJBVUNX-UHFFFAOYSA-N
- NH 00313
MolClass #81111
GXIQMXVDYWUZDK-UHFFFAOYSA-N
- PD 00103
MolClass #81112
XWEDWTPGRYTJFW-FMIVXFBMSA-N
- PD 00112
MolClass #81113
- PD 00115
MolClass #81114
- PD 00185
MolClass #81115
- PD 00388
MolClass #81116
VHXMACYSIPSYKB-UHFFFAOYSA-N
- PD 00406
MolClass #81117
QHYNNSSGZPIJFS-FBCYGCLPSA-N
- PD 00407
MolClass #81118
LGCLXMQLBRRWBI-MKMNVTDBSA-N
- PD 00408
MolClass #81119
LZEJMIKQANZQBT-QGMBQPNBSA-N
- PD 00502
MolClass #81120
DBDKBWXBOJKAGR-VCHYOVAHSA-N
- PD 00636
MolClass #81121
FXAVQQKERHOYIM-UHFFFAOYSA-N
- PD 00642
MolClass #81122
KRANLBCLPYGQGW-UHFFFAOYSA-N
- PD 00760
MolClass #81123
CPGGAYWSYZYYKK-UHFFFAOYSA-N
- PD 00766
MolClass #81124
YKDPLKWAVZDAJU-BQYQJAHWSA-N
- PD 00794
MolClass #81125
QQZFCJMNSFXDAD-UHFFFAOYSA-N
- PD 00795
MolClass #81126
MFKKSQGUUWTDIE-UHFFFAOYSA-N
- PHG 00741
MolClass #81127
- PHG 00960
MolClass #81128
NGYYHWDFIZTGMZ-UHFFFAOYSA-N
- PHG 01009
MolClass #81129
OYNMPOBOWPMEKI-UHFFFAOYSA-N
- RB 00001
MolClass #81130
AVPXDHBHKZSJMV-UHFFFAOYSA-N
- RB 00362
MolClass #81131
DCUQQGKTQODKGA-UHFFFAOYSA-N
- RDR 00093
MolClass #81132
OOEGYCYOIKNGCK-UHFFFAOYSA-N
- RDR 00491
MolClass #81133
POKLSEAAIQZWDQ-UHFFFAOYSA-N
- RDR 00691
MolClass #81134
BDWKCGPLWRHMIJ-FBCYGCLPSA-N
- RDR 00708
MolClass #81135
LGEDIEHOHYUOKZ-UHFFFAOYSA-N
- RDR 00728
MolClass #81136
DKDMISWTULMGHX-UHFFFAOYSA-N
- RDR 01153
MolClass #81137
- RDR 01678
MolClass #81138
PAMBIHHAYGYMBM-UHFFFAOYSA-N
- RDR 01679
MolClass #81139
HZKVCJQBADLSGY-UHFFFAOYSA-N
- RDR 01686
MolClass #81140
WAVZBASNVSDGEM-UHFFFAOYSA-N
- RDR 02030
MolClass #81141
RUQPMRUFNGMYNF-UHFFFAOYSA-N
- RDR 02032
MolClass #81142
GHOSUGLMPMQKRJ-UHFFFAOYSA-N
- RDR 02498
MolClass #81143
LAIKYMDCJOYFAB-UHFFFAOYSA-N
- RDR 03006
MolClass #81144
GLHNQXZHGQMPEP-UHFFFAOYSA-N
- RDR 03027
MolClass #81145
ZNRHAGPLXCUZLK-UHFFFAOYSA-N
- RDR 03056
MolClass #81146
HLHMUDOGIJQKFC-UHFFFAOYSA-N
- RDR 03086
MolClass #81147
BYUJHWQSLQRZOJ-UHFFFAOYSA-N
- RDR 03785
MolClass #81148
AWQPMEGCCWPTRI-UHFFFAOYSA-N
- RDR 03963
MolClass #81149
ITTJXMWPRXVXQA-UHFFFAOYSA-N
- RF 00049
MolClass #81150
KTEQMHWNTSFTSS-UHFFFAOYSA-N
- RF 00595
MolClass #81151
LVVDZUFMZJWFMN-UHFFFAOYSA-N
- RF 00662
MolClass #81152
JLRPBEAXLCQKGS-UHFFFAOYSA-N
- RF 00973
MolClass #81153
HUKLZPWEPCNLIB-XFXZXTDPSA-N
- RF 01584
MolClass #81154
GMXODFQIYRQPFS-UHFFFAOYSA-N
- RF 01707
MolClass #81155
WAZFEUCDNHWLAQ-ULJHMMPZSA-N
- RF 01893
MolClass #81156
JRPKFNFXIYQQGJ-UHFFFAOYSA-N
- RF 02201
MolClass #81157
KMSNNTIXNDGART-UHFFFAOYSA-N
- RF 04197
MolClass #81158
ZNQNCYOOTLUQRV-UHFFFAOYSA-N
- RF 04974
MolClass #81159
JAYFVTRYXBKAKF-UHFFFAOYSA-N
- RF 05142
MolClass #81160
- RF 05375
MolClass #81161
- RH 00169
MolClass #81162
LILGWFMBDPAOAC-UHFFFAOYSA-N
- RH 00600
MolClass #81163
KUDQAAPHWVEDCR-UHFFFAOYSA-N
- RH 00774
MolClass #81164
WWYLHVBUDLOVIP-OWOJBTEDSA-N
- RH 00885
MolClass #81165
ZNBWZBTZPDDMAP-UHFFFAOYSA-N
- RH 00887
MolClass #81166
XHPIYABWRRJLTR-UHFFFAOYSA-N
- RH 00943
MolClass #81167
XHLHOYITQOOGLD-UHFFFAOYSA-N
- RH 01015
MolClass #81168
FHIHQEJBDJPDTF-UHFFFAOYSA-N
- RH 01196
MolClass #81169
RTBDYYPOVGHLNW-UHFFFAOYSA-N
- RH 01287
MolClass #81170
- RH 01407
MolClass #81171
IFYXWLHJIQUYTC-UHFFFAOYSA-N
- RH 01481
MolClass #81172
IBRQZDLXVHXVGY-UHFFFAOYSA-N
- RH 01799
MolClass #81173
NQQUPBFWAUWTTI-UHFFFAOYSA-N
- RH 01876
MolClass #81174
AWBGDNWMAQUTSQ-LUAWRHEFSA-N
- RH 01877
MolClass #81175
DLVRZKNJBLXOCM-LUAWRHEFSA-N
- RH 02018
MolClass #81176
PCMLTABBLCQNLC-UHFFFAOYSA-N
- RJC 00213
MolClass #81177
CACAEUOJNKVOJD-UHFFFAOYSA-N
- RJC 00360
MolClass #81178
RJSHIIMXIGGILA-UHFFFAOYSA-N
- RJC 00418
MolClass #81179
XEDCEKSFNMUKOQ-UHFFFAOYSA-N
- RJC 00507
MolClass #81180
APUNHTOSWJMJTC-UHFFFAOYSA-N
- RJC 00615
MolClass #81181
CMXUIQITENCDHH-UHFFFAOYSA-N
- RJC 01412
MolClass #81182
UBNXNLNSZMZHDD-SFQUDFHCSA-N
- RJC 01473
MolClass #81183
UOESLWNOJMFJKG-UHFFFAOYSA-N
- RJC 01728
MolClass #81184
SDALHPNZAOPIDL-UHFFFAOYSA-N
- RJC 01737
MolClass #81185
HWFKCAFKXZFOQT-UHFFFAOYSA-N
- RJC 01744
MolClass #81186
FVYIMPLVUUSCJL-UHFFFAOYSA-N
- RJC 01745
MolClass #81187
OGMFZOJSYPPNGN-UHFFFAOYSA-N
- RJC 01746
MolClass #81188
FEUSIKWECNSVOC-UHFFFAOYSA-N
- RJC 01747
MolClass #81189
HCYZJYAAOHIHTF-UHFFFAOYSA-N
- RJC 02986
MolClass #81190
MOHIVAXCUGQXQZ-UHFFFAOYSA-N
- RJC 03024
MolClass #81191
- RJC 03544
MolClass #81192
KAAIQWKJMYDEPA-UHFFFAOYSA-N
- RJC 03603
MolClass #81193
WRZFUOOSXMQGBT-JZJYNLBNSA-N
- RJC 03674
MolClass #81194
RNZZJLBBRXUERJ-UHFFFAOYSA-N
- RJC 03855
MolClass #81195
BSKQCCPLVNJCQE-UHFFFAOYSA-N
- RJF 00696
MolClass #81196
KKEJDWXHUCZSOR-UHFFFAOYSA-N
- RJF 00895
MolClass #81197
IJDCGLHKCZOJOZ-UHFFFAOYSA-N
- RJF 00949
MolClass #81198
CLPMGIKPQBWUHB-DNTJNYDQSA-N
- RJF 01010
MolClass #81199
VUASARWGCIBBET-CXUHLZMHSA-N
- RJF 01159
MolClass #81200
MHUZCYATOISFAD-FNXZNAJJSA-N
- RJF 01572
MolClass #81201
RSRRUALSXZTZAJ-UHFFFAOYSA-N
- RJF 01649
MolClass #81202
MLJHHQWERFIKII-UHFFFAOYSA-N
- RJF 01678
MolClass #81203
VVGLWVPVTNZKPO-UHFFFAOYSA-N
- RJF 01808
MolClass #81204
CZVFPJNVOKGQQJ-UHFFFAOYSA-N
- S 00540
MolClass #81205
LBSYTOQOYVWHII-DJKKODMXSA-N
- S 00677
MolClass #81206
STVIFGOOTPXART-CAOOACKPSA-N
- S 00679
MolClass #81207
LFYKHGJMABLSTI-REZTVBANSA-N