Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 4248413
MolClass #30001
GPIWOEZJRYCGCX-LFYBBSHMSA-N
- 17411236
MolClass #30002
CIUYXQBWHOLYJI-UHFFFAOYSA-N
- 26730085
MolClass #30003
BMWJOZMTBDHSTF-UHFFFAOYSA-N
- 24803008
MolClass #30004
SSLYNUMMTSOBAM-UHFFFAOYSA-N
- 47198069
MolClass #30005
KNECZGISGIKJMY-UHFFFAOYSA-N
- 14730021
MolClass #30006
GJIDJZFFJQXZJF-UHFFFAOYSA-N
- 49677905
MolClass #30007
VXBMKMMDZMZPBL-UHFFFAOYSA-N
- 4264043
MolClass #30008
LZKRGOLPUZCCOQ-UHFFFAOYSA-N
- 17513286
MolClass #30009
PJTFGPOOLJITBC-PEZBUJJGSA-N
- 24825072
MolClass #30010
ZQICQJPYDAPXJJ-UHFFFAOYSA-N
- 22412492
MolClass #30011
FAVTWGFHIVCUTG-UHFFFAOYSA-N
- 843296
MolClass #30012
JPUBULYKYBDHCZ-UHFFFAOYSA-N
- 847602
MolClass #30013
LHOARXIRVQWPPJ-XNTDXEJSSA-N
- 26728357
MolClass #30014
XTZVKWCDGUIAAR-UHFFFAOYSA-N
- 859179
MolClass #30015
QKPPCRWFQGEZAL-UHFFFAOYSA-N
- 49675586
MolClass #30016
ZURVPYGUMUJFBD-UHFFFAOYSA-N
- 47195982
MolClass #30017
GXIUTNSKSHBGLA-UHFFFAOYSA-N
- 863905
MolClass #30018
CMCMWVDGRBJHLE-OQLLNIDSSA-N
- 24804424
MolClass #30019
CBQMAJLPPKKVSK-UHFFFAOYSA-N
- 22404423
MolClass #30020
ZXUTUFBDUNXMLT-UHFFFAOYSA-N
- 47195586
MolClass #30021
- 49644639
MolClass #30022
DSTBWTBWHVNMMR-UHFFFAOYSA-N
- 24817206
MolClass #30023
NVVARISGDYLRPD-FRKPEAEDSA-N
- 3712110
MolClass #30024
- 26666266
MolClass #30025
GIHFEUODVYYAJW-UHFFFAOYSA-M
- 24805786
MolClass #30026
XATACZAJDNAJOC-UHFFFAOYSA-N
- 17508968
MolClass #30027
ABZADKJVLLTSOC-UHFFFAOYSA-N
- 17416033
MolClass #30028
FAAJNOFFIPXHSB-UHFFFAOYSA-N
- 24824500
MolClass #30029
LOLAYERTFOYXRJ-UHFFFAOYSA-N
- 4256611
MolClass #30030
OKGVGRYXFRKRAP-UHFFFAOYSA-N
- 26659503
MolClass #30031
- 17507275
MolClass #30032
- 856232
MolClass #30033
ZGGNIJBQHUGZMV-UHFFFAOYSA-N
- 47198176
MolClass #30034
BPVFSHVFYDLETP-UHFFFAOYSA-N
- 24826808
MolClass #30035
JDGQVAOYUNHCNU-UHFFFAOYSA-N
- 24824487
MolClass #30036
RJEADPAJVSGAAR-UHFFFAOYSA-N
- 7967662
MolClass #30037
- 24807027
MolClass #30038
OSABRNKWWBTFRB-MHWRWJLKSA-N
- 22405004
MolClass #30039
DAXQBJCXVSCYTA-UHFFFAOYSA-N
- 7976621
MolClass #30040
NQLIVLASGOOYQX-UHFFFAOYSA-N
- 17412286
MolClass #30041
IKPWTAPUHZTEEW-UHFFFAOYSA-N
- 24781472
MolClass #30042
ZHKMLHZQCZNIQQ-UHFFFAOYSA-N
- 14725419
MolClass #30043
ITGCDSKYSMPJRA-UHFFFAOYSA-N
- 24808401
MolClass #30044
SSJWPZTYLSUVEG-UHFFFAOYSA-N
- 14723758
MolClass #30045
XGFNYRLYWZRFSQ-UHFFFAOYSA-N
- 85198139
MolClass #30046
PJJFMAONZPYFOS-UHFFFAOYSA-N
- 47204422
MolClass #30047
- 26729297
MolClass #30048
- 22412981
MolClass #30049
FHYYGQBZANJZIV-LFIBNONCSA-N
- 22406956
MolClass #30050
UQARFEKRFGRYQC-ZRDIBKRKSA-N
- 17402295
MolClass #30051
IWXQQTQLGFZTKF-WTKPLQERSA-N
- 22401820
MolClass #30052
BBEAFWSGEZRPPL-UHFFFAOYSA-N
- 14740022
MolClass #30053
WSHGLWBVGCOIRE-UHFFFAOYSA-N
- 857667
MolClass #30054
YGHSXHZESJGXPL-UHFFFAOYSA-N
- 26670395
MolClass #30055
OCKJXVNOKDZWAB-YIXHJXPBSA-N
- 24803584
MolClass #30056
GYTOODLZJOYSOY-UHFFFAOYSA-N
- 17414218
MolClass #30057
DKWJRBBUVAQOAC-UHFFFAOYSA-N
- 4257636
MolClass #30058
NLOFNKPOURZRLR-UHFFFAOYSA-N
- 49674004
MolClass #30059
BYYGXUYOURDXKJ-YBFXNURJSA-N
- 3712035
MolClass #30060
WZROGWPMNGVFSG-UHFFFAOYSA-N
- 844247
MolClass #30061
- 49828311
MolClass #30062
LGKPNXIMACZUTC-UHFFFAOYSA-N
- 860933
MolClass #30063
PEOVEFUTTKNYHF-UHFFFAOYSA-N
- 85201928
MolClass #30064
UMSSEVUBLWQBEY-UHFFFAOYSA-O
- 24826942
MolClass #30065
HBVILHAMNIGVNO-UHFFFAOYSA-N
- 24834639
MolClass #30066
IGVAYTZHBVOCSO-UHFFFAOYSA-O
- 17412801
MolClass #30067
YXPVJQWWVLBNOP-UHFFFAOYSA-N
- 24824556
MolClass #30068
HOEJHPUCBMCGMN-FLIBITNWSA-N
- 47203206
MolClass #30069
ZXFKYRGIISOUSS-UHFFFAOYSA-N
- 7970599
MolClass #30070
DVSIXBQUPHVGMB-UHFFFAOYSA-N
- 24815699
MolClass #30071
GBGBVLLXTKIFDQ-CMDGGOBGSA-N
- 3712403
MolClass #30072
YOJJBMVDKPHKOO-UHFFFAOYSA-N
- 49671295
MolClass #30073
KEBHIQKJXPZASJ-UHFFFAOYSA-N
- 24785288
MolClass #30074
OEFLKHKXHDKOEX-UHFFFAOYSA-N
- 3715324
MolClass #30075
TWKWHPUPCOCRHI-UHFFFAOYSA-N
- 85198949
MolClass #30076
PNLXWAAQVOYDJM-UHFFFAOYSA-N
- 17503775
MolClass #30077
SADSOCDJWLWQQJ-UHFFFAOYSA-N
- 24804152
MolClass #30078
- 49647334
MolClass #30079
IGVGRNICLSNTAA-UHFFFAOYSA-N
- 14733856
MolClass #30080
NAWUVGVTDMMZCQ-UHFFFAOYSA-N
- 24797153
MolClass #30081
PVDODKMMGSAHCI-UHFFFAOYSA-N
- 4247388
MolClass #30082
PSDQNQNJLHZTHK-UHFFFAOYSA-N
- 14743269
MolClass #30083
LVENVUHBIDYWKR-UHFFFAOYSA-N
- 865546
MolClass #30084
ISOXPBYVJUUKPN-UHFFFAOYSA-N
- 17402426
MolClass #30085
BYZVOSQYKHOXMK-MDZDMXLPSA-N
- 26726626
MolClass #30086
HUJXBWDVCSAXGT-UDWIEESQSA-N
- 14719263
MolClass #30087
AYKRBHXROXLXNS-UHFFFAOYSA-N
- 47195652
MolClass #30088
JPDYLZBRWKILII-UHFFFAOYSA-N
- 57264383
MolClass #30089
FEXPLGPKTJVGOT-UHFFFAOYSA-N
- 24819600
MolClass #30090
GLBJBXFOTOHOLE-UHFFFAOYSA-N
- 49649048
MolClass #30091
SDWPMGMCUCHVSO-UHFFFAOYSA-N
- 24795483
MolClass #30092
YVPAOEODYHPGLH-UHFFFAOYSA-N
- 26666022
MolClass #30093
- 7969907
MolClass #30094
SYFCSDFSGPBAGI-UHFFFAOYSA-N
- 860992
MolClass #30095
ADIGOZZADWWZHJ-UHFFFAOYSA-N
- 24818245
MolClass #30096
SERSOAJNGUIFSO-UHFFFAOYSA-N
- 22416938
MolClass #30097
WUPCZDORAWJMRX-UHFFFAOYSA-N
- 17410611
MolClass #30098
KVMHNCHZKSMMSW-UHFFFAOYSA-N
- 14729995
MolClass #30099
KKLCKTBAJKZYFQ-UHFFFAOYSA-N
- 24788691
MolClass #30100