Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 860270
MolClass #32001
XDRROGHZOCQQIB-UHFFFAOYSA-N
- 14729350
MolClass #32002
LJIZZNDONXBYHB-UHFFFAOYSA-N
- 7973117
MolClass #32003
IGXWWAQCTOAHLC-UHFFFAOYSA-N
- 14738909
MolClass #32004
YUVPOTNZHAAMHV-GIJQJNRQSA-N
- 17510451
MolClass #32005
ZQVUKCJMIUJAHT-UHFFFAOYSA-N
- 861257
MolClass #32006
VCJUVGSUENNNOS-UHFFFAOYSA-N
- 49668644
MolClass #32007
HTRHYOOVUFKSIL-UHFFFAOYSA-N
- 49645600
MolClass #32008
SYJUMXSONCVVDZ-UHFFFAOYSA-N
- 85148506
MolClass #32009
QSXGYHXDVCEGOC-UHFFFAOYSA-N
- 24782259
MolClass #32010
OUHHMCFDQUOCFE-UHFFFAOYSA-N
- 85149154
MolClass #32011
XIUVHOSBSDYXRG-UVTAEQIVSA-N
- 3714198
MolClass #32012
XZTQIQNTQMAHRJ-UHFFFAOYSA-N
- 49729237
MolClass #32013
QUZBRNGJOLBUIK-UHFFFAOYSA-N
- 85146369
MolClass #32014
ZUKMABFKYXCWSE-UHFFFAOYSA-N
- 49666717
MolClass #32015
AMNDAUDIPWQFDT-UHFFFAOYSA-N
- 7974749
MolClass #32016
BSNODGMEJXQZST-VAWYXSNFSA-N
- 3713607
MolClass #32017
CHOVGJJHNHSEPT-WEVVVXLNSA-N
- 4265181
MolClass #32018
PDFNQFKOWIQHLD-UHFFFAOYSA-N
- 7965693
MolClass #32019
- 4264277
MolClass #32020
- 26667239
MolClass #32021
ADWROWZTLWMSGW-LMEHAKNHSA-N
- 861849
MolClass #32022
UXZYKSFMGDWHGJ-UHFFFAOYSA-N
- 85148662
MolClass #32023
ULDHMXUKGWMISQ-VIFPVBQESA-N
- 4241456
MolClass #32024
YPZXQFUWGAEUMU-UHFFFAOYSA-N
- 7966388
MolClass #32025
XLQYXDKPOKZZLO-UHFFFAOYSA-N
- 7970112
MolClass #32026
RBOZNZLIKYJUCM-UHFFFAOYSA-N
- 17415963
MolClass #32027
CRDCQRNNFPGFBB-UHFFFAOYSA-N
- 26665030
MolClass #32028
WEIQEAJLUPRJTB-UHFFFAOYSA-N
- 22405278
MolClass #32029
JNLZCWHGFZEMCI-UHFFFAOYSA-N
- 85146340
MolClass #32030
RABUWGWSPOYGNO-QGZVFWFLSA-N
- 4244291
MolClass #32031
JTONJFUVEFZKSP-UHFFFAOYSA-N
- 857484
MolClass #32032
MKORWELFCGDNJD-UHFFFAOYSA-N
- 47204711
MolClass #32033
PLGIXTLJKTTZCU-UHFFFAOYSA-N
- 57264105
MolClass #32034
PFVQLKQHVGIMGQ-UHFFFAOYSA-N
- 26728002
MolClass #32035
BTUZMHNFPBGZFW-UHFFFAOYSA-N
- 856629
MolClass #32036
RXIZCTPLWQJTOD-UHFFFAOYSA-N
- 863920
MolClass #32037
JKZDTEJQHQLIEB-UHFFFAOYSA-N
- 26670141
MolClass #32038
GDWYFWSCTLYTJM-UHFFFAOYSA-N
- 26663632
MolClass #32039
OXFDAZDBXAHWBY-UHFFFAOYSA-N
- 26727427
MolClass #32040
ZGSHLESCBXCHGS-UHFFFAOYSA-N
- 24823194
MolClass #32041
BTPSGMALYXWLKB-LHHJGKSTSA-N
- 26670531
MolClass #32042
QYRXYOSFSMCGSU-UHFFFAOYSA-N
- 3717083
MolClass #32043
PGEUKBIMRDIPOG-UHFFFAOYSA-N
- 49678018
MolClass #32044
HIZWCIMRJUGIGA-UHFFFAOYSA-N
- 17507673
MolClass #32045
TVNYNMOYWJLTCZ-UHFFFAOYSA-N
- 85272520
MolClass #32046
KFOXVIYVOVFHIO-QIFOKDCASA-N
- 22414056
MolClass #32047
LMGIGNXABOUWPF-UHFFFAOYSA-N
- 24782120
MolClass #32048
- 47203090
MolClass #32049
ZNKZJFNZLZIBKB-UHFFFAOYSA-N
- 49826193
MolClass #32050
- 17509849
MolClass #32051
ITGATILNQMEVOW-UHFFFAOYSA-N
- 26728837
MolClass #32052
HCXNJVHGPIZWRV-XNTDXEJSSA-N
- 49737236
MolClass #32053
QFDIQWXGAMPCIP-UHFFFAOYSA-N
- 26730706
MolClass #32054
BZWWYZGKVNJUHN-UHFFFAOYSA-N
- 22414017
MolClass #32055
DOUKNSWNLIXRMW-UHFFFAOYSA-N
- 14742067
MolClass #32056
OVNZNOHKQQYMRF-UHFFFAOYSA-N
- 848237
MolClass #32057
VXKQOLSLWBQYHW-UHFFFAOYSA-N
- 26728246
MolClass #32058
UEBBZHKRNBPNRW-UHFFFAOYSA-N
- 17506290
MolClass #32059
ZOUZBYNFKZTCNL-UHFFFAOYSA-N
- 26661126
MolClass #32060
LPQKAXFFRAGYLV-UHFFFAOYSA-N
- 49647823
MolClass #32061
CNKKPRAAYPZGRJ-UHFFFAOYSA-N
- 26728669
MolClass #32062
AJBWQWDJFIRUNT-UHFFFAOYSA-N
- 26662706
MolClass #32063
AHNSVLXRPVZMJI-UHFFFAOYSA-N
- 51087334
MolClass #32064
VJKMYDVJILGKAQ-UHFFFAOYSA-N
- 17401166
MolClass #32065
JIDFWHQSJCXTCB-UHFFFAOYSA-N
- 14743105
MolClass #32066
KJJSHOHQQHACLE-UHFFFAOYSA-N
- 85269211
MolClass #32067
HORYRANMVILMAN-UHFFFAOYSA-N
- 26729969
MolClass #32068
IKPHJIMTRJYQSP-UHFFFAOYSA-N
- 47195682
MolClass #32069
XJIZTQKXLNQKIA-UHFFFAOYSA-N
- 46500260
MolClass #32070
FEQAAOPVXRHVBW-UHFFFAOYSA-N
- 24785551
MolClass #32071
IMPJKZKJSIISAI-UHFFFAOYSA-N
- 24788142
MolClass #32072
BOFZDORIISKVEE-UHFFFAOYSA-N
- 848841
MolClass #32073
YPCOJUAVYIGETB-UHFFFAOYSA-N
- 49671462
MolClass #32074
IAKXLMFNPZKCAN-UHFFFAOYSA-N
- 24787782
MolClass #32075
MWJQXHZIUSMPSJ-UHFFFAOYSA-N
- 26662777
MolClass #32076
- 50085584
MolClass #32077
BXEVWYKZHJVMCX-UHFFFAOYSA-N
- 17408594
MolClass #32078
FQHPZUPDCVNHNT-UHFFFAOYSA-N
- 17403084
MolClass #32079
JQVVLSIVCWKNTL-GZTJUZNOSA-N
- 24809623
MolClass #32080
CBZGESBWHSGWLK-UHFFFAOYSA-N
- 4249014
MolClass #32081
HYPDLVTYLQRSGS-UHFFFAOYSA-N
- 14738306
MolClass #32082
QUUABXCXZOATJN-UHFFFAOYSA-N
- 17403655
MolClass #32083
- 17507710
MolClass #32084
KWSOHRDMTWDAOI-UHFFFAOYSA-N
- 49644536
MolClass #32085
FIAZOXXQTRZNNL-UHFFFAOYSA-N
- 24800256
MolClass #32086
PVCQBOXPHNSXSO-UHFFFAOYSA-N
- 3716466
MolClass #32087
VSZZBLVFLIJIHC-UHFFFAOYSA-N
- 857005
MolClass #32088
PSVJMJZHURBTDI-UHFFFAOYSA-N
- 4265399
MolClass #32089
ZDKLLWHULUEJNW-UHFFFAOYSA-N
- 4254538
MolClass #32090
- 4240809
MolClass #32091
WHTKINMLPLRGKM-UHFFFAOYSA-N
- 22413952
MolClass #32092
AHHBCCSJKYJOLS-UHFFFAOYSA-N
- 26669495
MolClass #32093
UEAQYUVBGGWOSH-UHFFFAOYSA-N
- 14736491
MolClass #32094
ZVLVGXADXWMLKV-UHFFFAOYSA-N
- 24822370
MolClass #32095
XKVNQGCOWOVCOI-UHFFFAOYSA-N
- 24781359
MolClass #32096
ZYOGLHLKFUKDNH-UHFFFAOYSA-N
- 24825407
MolClass #32097
IXGYEAFNPJMBRN-UHFFFAOYSA-N
- 14721737
MolClass #32098
- 47201913
MolClass #32099
KGIGMCONNWRUGX-UHFFFAOYSA-N
- 866064
MolClass #32100
HSYYDUBAOSZFGG-UHFFFAOYSA-N