Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 1000034
MolClass #11801
OTKJDMGTUTTYMP-ZWKOTPCHSA-N
- 3001166
MolClass #11802
NSHPHXHGRHSMIK-JRIKCGFMSA-N
- 207
MolClass #11803
DHLFJZAIZCMWEO-JDGFICQVSA-N
- 3103897
MolClass #11804
QNDVLZJODHBUFM-JMZROUCHSA-N
- 2450
MolClass #11805
- 1907752
MolClass #11806
QVLMCRFQGHWOPM-ZKWNWVNESA-N
- 3104900
MolClass #11807
IHBISWKFXRKGKM-FRKPEAEDSA-N
- 3103971
MolClass #11808
FKAWLXNLHHIHLA-OQLQHIBWSA-N
- 8
MolClass #11809
YKGQBEGMUSSPFY-YOILPLPUSA-N
- 28
MolClass #11810
- 42
MolClass #11811
VLBPIWYTPAXCFJ-XMMPIXPASA-O
- 64
MolClass #11812
JNUUNUQHXIOFDA-JGKLHWIESA-N
- 69
MolClass #11813
ZBOQHUSCQCEBGK-JLRCLJKCSA-O
- 83
MolClass #11814
MHFRGQHAERHWKZ-HHHXNRCGSA-O
- 84
MolClass #11815
OEOLOEUAGSPDLT-UHFFFAOYSA-O
- 88
MolClass #11816
JGUNZIWGNMQSBM-UINYOVNOSA-N
- 116
MolClass #11817
BUZAJRPLUGXRAB-UHFFFAOYSA-N
- 123
MolClass #11818
YCRHZEHWEYAHCO-HZJYTTRNSA-N
- 3104393
MolClass #11819
QTQAWLPCGQOSGP-KSRBKZBZSA-N
- 128
MolClass #11820
- 132
MolClass #11821
SZWKGOZKRMMLAJ-UHFFFAOYSA-N
- 136
MolClass #11822
MNYBEULOKRVZKY-TZOAMJEDSA-N
- 144
MolClass #11823
OWYNLPMPYBYKJP-UHFFFAOYSA-N
- 173
MolClass #11824
PWTCCMJTPHCGMS-YRBAHSOBSA-N
- 3104545
MolClass #11825
- 243
MolClass #11826
GXIJYWUWLNHKNW-UHFFFAOYSA-N
- 254
MolClass #11827
HKSZLNNOFSGOKW-FYTWVXJKSA-N
- 1000028
MolClass #11828
PXGPLTODNUVGFL-ZWAKLXPCSA-N
- 279
MolClass #11829
PUAVTDKYTXNVBU-OIDHKYIRSA-N
- 3419827
MolClass #11830
RJVLFQBBRSMWHX-UHFFFAOYSA-N
- 3104702
MolClass #11831
KQNZDYYTLMIZCT-KFKPYADVSA-N
- 307
MolClass #11832
CRJGESKKUOMBCT-VQTJNVASSA-N
- 308
MolClass #11833
VHRUMKCAEVRUBK-GODQJPCRSA-N
- 309
MolClass #11834
YRXOQXUDKDCXME-YIVRLKKSSA-N
- 315
MolClass #11835
YDNKGFDKKRUKPY-TURZORIXSA-N
- 325
MolClass #11836
DVEXZJFMOKTQEZ-JYFOCSDGSA-N
- 1000045
MolClass #11837
RCINICONZNJXQF-VAZQATRQSA-N
- 348
MolClass #11838
LUFAORPFSVMJIW-ZRJUGLEFSA-N
- 2430
MolClass #11839
FCFNRCROJUBPLU-UHFFFAOYSA-N
- 369
MolClass #11840
KTHLBVBTGUUEFS-ZXVVBBHZSA-N
- 1961
MolClass #11841
JZODKRWQWUWGCD-UHFFFAOYSA-N
- 415
MolClass #11842
BMZRVOVNUMQTIN-UHFFFAOYSA-N
- 444
MolClass #11843
DHCNAWNKZMNTIS-UHFFFAOYSA-N
- 460
MolClass #11844
PMATZTZNYRCHOR-NFOUMSERSA-N
- 3000451
MolClass #11845
LCZZWLIDINBPRC-FQEVSTJZSA-N
- 3000453
MolClass #11846
ZVLOPMNVFLSSAA-VPBFXPLISA-N
- 1907750
MolClass #11847
ZDQSOHOQTUFQEM-NURRSENYSA-N
- 1865
MolClass #11848
CEHQLKSLMFIHBF-UHFFFAOYSA-N
- 2080829
MolClass #11849
RFBVBRVVOPAAFS-UHFFFAOYSA-N
- 1907753
MolClass #11850
CZBTXCKFBGYGBV-BCKBVVFBSA-N
- 1907754
MolClass #11851
AYUNIORJHRXIBJ-TXHRRWQRSA-N
- 572
MolClass #11852
- 576
MolClass #11853
DSXXEELGXBCYNQ-UHFFFAOYSA-N
- 1059329
MolClass #11854
WHSIXKUPQCKWBY-UHFFFAOYSA-N
- 600
MolClass #11855
BQCNSTFWSKOWMA-GORDUTHDSA-N
- 1954
MolClass #11856
DOEWDSDBFRHVAP-KRXBUXKQSA-N
- 1912639
MolClass #11857
OKBCICRQCWGMJP-RIYZIHGNSA-N
- 535
MolClass #11858
GBPSCCPAXYTNMB-UHFFFAOYSA-N
- 1952944
MolClass #11859
RKPCVYAOFZZZKX-PUXXWTBRSA-N
- 536
MolClass #11860
JTDYUFSDZATMKU-UHFFFAOYSA-N
- 1350
MolClass #11861
- 1922439
MolClass #11862
HDFJXGCPJXWADL-CXUHLZMHSA-N
- 1019365
MolClass #11863
OLBNOBQOQZRLMP-UHFFFAOYSA-N
- 1936274
MolClass #11864
UQLGATAAIPGKPM-CXUHLZMHSA-N
- 1936582
MolClass #11865
- 1185085
MolClass #11866
- 2022496
MolClass #11867
YAXLDJFKHIKXLE-WFXMLNOXSA-N
- 2020898
MolClass #11868
OBNHTZXTXPJXEC-JOMNFKBKSA-N
- 2019958
MolClass #11869
PTZPZELONRALLA-WXVAWEFUSA-N
- 2020900
MolClass #11870
ULZRUAAXEZHMHN-IRLDBZIGSA-N
- 2027357
MolClass #11871
BHUZLJOUHMBZQY-YXQOSMAKSA-N
- 3044526
MolClass #11872
WDZVGELJXXEGPV-PQMHYQBVSA-N
- 694
MolClass #11873
FAOZLTXFLGPHNG-KXWDGVDDSA-N
- 729
MolClass #11874
JCQLYHFGKNRPGE-FCVZTGTOSA-N
- 811
MolClass #11875
ORNBQBCIOKFOEO-WPVPORHCSA-N
- 1000036
MolClass #11876
AUVVAXYIELKVAI-VXNUJMKFSA-N
- 876
MolClass #11877
IWVCMVBTMGNXQD-FFAYTOJHSA-N
- 964
MolClass #11878
- 1006
MolClass #11879
UHDGCWIWMRVCDJ-STUHELBRSA-N
- 1028
MolClass #11880
FYEHYMARPSSOBO-UHFFFAOYSA-N
- 1056
MolClass #11881
COBAOGWDMNPNSV-UHFFFAOYSA-N
- 1115
MolClass #11882
ICTXHFFSOAJUMG-OQPPHWFISA-N
- 1224
MolClass #11883
UOACKFBJUYNSLK-OCTSOESTSA-N
- 1234
MolClass #11884
VHRSUDSXCMQTMA-IETLARDKSA-N
- 1273
MolClass #11885
XOFYZVNMUHMLCC-BDQMTFAOSA-N
- 1288
MolClass #11886
LJZPVWKMAYDYAS-QKKPTTNWSA-N
- 2114344
MolClass #11887
KQJSQWZMSAGSHN-JJWQIEBTSA-N
- 1324
MolClass #11888
LFVVNPBBFUSSHL-UHFFFAOYSA-N
- 1334
MolClass #11889
VQODGRNSFPNSQE-QCYOSJOCSA-N
- 1360
MolClass #11890
GHXZTYHSJHQHIJ-UHFFFAOYSA-N
- 1428
MolClass #11891
- 3172851
MolClass #11892
AKUJBENLRBOFTD-HIBZCRSPSA-N
- 1578
MolClass #11893
- 3173349
MolClass #11894
QJJXYPPXXYFBGM-LFZNUXCKSA-N
- 3054122
MolClass #11895
AJTULIWKBMDPCJ-IYGCLJFQSA-N
- 2060029
MolClass #11896
LCTHKUJMKQOYDY-ZYIGBFDLSA-N
- 2060030
MolClass #11897
SWTDXMBCOHIACK-HJFYQMTDSA-N
- 2060031
MolClass #11898
OQMUOVSEPOBWMK-FDGFJIMDSA-N
- 2060034
MolClass #11899
QMRLEXVAVRHWSE-IPNZSQQUSA-N
- 2060035
MolClass #11900
HCEYJYMNIQHPPK-NIANHESQSA-N