Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- CD 07869
MolClass #80908
HHAHHVBAIRBUJO-UHFFFAOYSA-N
- CD 08032
MolClass #80909
OVQWFFKEFWJPIU-UHFFFAOYSA-N
- CD 08429
MolClass #80910
PDHJSKPUKVCJAV-UHFFFAOYSA-N
- CD 08965
MolClass #80911
VPCWNDQUIXKBJN-UHFFFAOYSA-N
- CD 09558
MolClass #80912
SKRUORJWAGWEMI-UHFFFAOYSA-N
- CD 10773
MolClass #80913
KXRFHHUARBIRJZ-UHFFFAOYSA-N
- CD 10792
MolClass #80914
BMWMUHWZQNGOLG-UHFFFAOYSA-N
- CD 10814
MolClass #80915
FLFANMOYEGMZFK-UHFFFAOYSA-N
- CD 10872
MolClass #80916
PGPGFBFEAQJYHG-UHFFFAOYSA-N
- CD 11050
MolClass #80917
ITQFDNCFKJHQSI-UHFFFAOYSA-N
- CD 11465
MolClass #80918
IGYIQDFCYOKWEA-UHFFFAOYSA-N
- CD 11949
MolClass #80919
- DFP 00110
MolClass #80920
NKXQGDDYDJNKMU-UHFFFAOYSA-N
- DFP 00139
MolClass #80921
IQMHGMBQWLQPJO-UHFFFAOYSA-N
- DFP 00275
MolClass #80922
XVPVSGSXGZTJEZ-UHFFFAOYSA-N
- DFP 00318
MolClass #80923
BVXBJWVTOVRUOM-UHFFFAOYSA-N
- DP 00325
MolClass #80924
ZDZSRZQASJUVNJ-UHFFFAOYSA-N
- DP 00518
MolClass #80925
PDKSVSTYDMOEBS-CSKARUKUSA-N
- DP 00538
MolClass #80926
AVMHTBJNERNMNF-XYOKQWHBSA-N
- DP 00892
MolClass #80927
ZXJUCCWALBELIZ-UHFFFAOYSA-N
- DP 00972
MolClass #80928
HDSLHZWRUNNLHN-NTCAYCPXSA-N
- DP 01321
MolClass #80929
GAKHZHDADCDJAB-UHFFFAOYSA-N
- DP 01545
MolClass #80930
PIXLLQKMZXDTOU-UHFFFAOYSA-N
- DP 01760
MolClass #80931
RLTARAGCMYAINN-UFWORHAWSA-N
- DP 01920
MolClass #80932
- DP 02022
MolClass #80933
NQXSUSNOWXVYEE-UHFFFAOYSA-N
- DP 02040
MolClass #80934
WNBPCDNTLWHCBL-UFWORHAWSA-N
- DSHS 00080
MolClass #80935
MFZAKRPMEJALDN-UHFFFAOYSA-N
- DSHS 00085
MolClass #80936
RCYRPDJIUVAAOK-UHFFFAOYSA-N
- DSHS 00095
MolClass #80937
KMNHDDWTAGXJSG-UHFFFAOYSA-N
- DSHS 00330
MolClass #80938
NHWRJSZLHORWDI-AUEPDCJTSA-N
- DSHS 00681
MolClass #80939
URTHHJMPBVKWJU-UHFFFAOYSA-N
- DSHS 00978
MolClass #80940
XXAVHEGULGKMAR-UHFFFAOYSA-N
- DSHS 01039
MolClass #80941
FHNVTWMNWUBMET-UHFFFAOYSA-N
- DSHS 01210
MolClass #80942
FROMVPJZJGWAOH-UHFFFAOYSA-N
- FM 00196
MolClass #80943
SSGGIHYWGOXWIG-UHFFFAOYSA-N
- FM 00197
MolClass #80944
FVLBQNHOHIKCOZ-UHFFFAOYSA-N
- FM 00198
MolClass #80945
RQILBGHVDCNVFK-UHFFFAOYSA-N
- GK 00805
MolClass #80946
XQLALYMNLDHRGA-UHFFFAOYSA-N
- GK 01380
MolClass #80947
QCOFEDCRERPQBT-UHFFFAOYSA-N
- GK 01388
MolClass #80948
DUHPSFJWUUCKPM-UHFFFAOYSA-N
- GK 01514
MolClass #80949
DNEPBYHDEPHJOB-UHFFFAOYSA-N
- GK 01970
MolClass #80950
XGSDZCDKWNZMCW-UHFFFAOYSA-N
- GK 02019
MolClass #80951
OTLWTIJKTKPHDG-UHFFFAOYSA-N
- GK 02199
MolClass #80952
QVTOWSZNSKLJMV-UHFFFAOYSA-N
- GK 02269
MolClass #80953
AHNKRXVTJPVKBZ-UHFFFAOYSA-N
- GK 02545
MolClass #80954
UJPCYTOICYQUJE-UHFFFAOYSA-N
- GK 02596
MolClass #80955
LEWUMDZLGDQVQT-UHFFFAOYSA-N
- GK 02599
MolClass #80956
ONRYGDIDMHWEDM-UHFFFAOYSA-N
- GK 02713
MolClass #80957
WXJFUONWTMRZFE-UHFFFAOYSA-N
- GK 02901
MolClass #80958
KSBACVZQBSXUGE-UHFFFAOYSA-N
- GK 02915
MolClass #80959
HBWGSCWAYXGITP-UHFFFAOYSA-N
- GK 03000
MolClass #80960
VKBJAXJYJWFADC-UHFFFAOYSA-N
- GK 03027
MolClass #80961
MELLQVSEGUXCTG-UHFFFAOYSA-N
- GK 03206
MolClass #80962
GWXABNZUXSTVMW-HWKANZROSA-N
- GK 03299
MolClass #80963
KMZFIVKQSIVDCT-UHFFFAOYSA-N
- GK 03583
MolClass #80964
QEIUESKMXVNNTK-UHFFFAOYSA-N
- HAN 00018
MolClass #80965
URMNYKQOIZLMHX-UHFFFAOYSA-N
- HAN 00028
MolClass #80966
KNTDLHSVICIWAG-UHFFFAOYSA-N
- HAN 00117
MolClass #80967
DWZHXLZNELDFEI-UHFFFAOYSA-N
- HAN 00365
MolClass #80968
DVJUQKRYJNVGHN-UHFFFAOYSA-N
- HAN 00486
MolClass #80969
AFDXOAHZFKRLGC-UHFFFAOYSA-N
- HTS 00718
MolClass #80970
TWVNDYYTILLVHF-UHFFFAOYSA-N
- HTS 00931
MolClass #80971
GNESXQMYZWVQKE-UHFFFAOYSA-N
- HTS 00950
MolClass #80972
MRAZYNPZMLOODB-UHFFFAOYSA-N
- HTS 01044
MolClass #80973
OCJSEDSTCFVYNC-UHFFFAOYSA-N
- HTS 01130
MolClass #80974
WWOJVITZZNUECK-UHFFFAOYSA-N
- HTS 01156
MolClass #80975
SYAZJXWQNLRWFJ-UHFFFAOYSA-N
- HTS 01584
MolClass #80976
ASTMTCVUUGIQLX-UHFFFAOYSA-N
- HTS 01699
MolClass #80977
- HTS 01835
MolClass #80978
BRIKXVOCOZGBNB-UHFFFAOYSA-N
- HTS 01936
MolClass #80979
XCXNEKJJQKMEIL-UHFFFAOYSA-N
- HTS 01937
MolClass #80980
GZRNHJHILOMJPR-UHFFFAOYSA-N
- HTS 01940
MolClass #80981
UCBXFYUXJKITGU-UHFFFAOYSA-N
- HTS 01941
MolClass #80982
DIERUHQASOQCRF-UHFFFAOYSA-N
- HTS 01946
MolClass #80983
ABFFAXAUDJIANV-UHFFFAOYSA-N
- HTS 01950
MolClass #80984
PEUFJSACGFQNKD-UHFFFAOYSA-N
- HTS 02324
MolClass #80985
FRDJJGSXDLUKPF-UHFFFAOYSA-N
- HTS 02733
MolClass #80986
QQHGBOTVPDXYJQ-UHFFFAOYSA-N
- HTS 02735
MolClass #80987
IKLINLJYCSVLBK-UHFFFAOYSA-N
- HTS 03643
MolClass #80988
SXGOUNMLGQODFL-UHFFFAOYSA-N
- HTS 03647
MolClass #80989
QBGOGEHWWJAZDC-UHFFFAOYSA-N
- HTS 03696
MolClass #80990
LQHIOUUVJHEHQF-UHFFFAOYSA-N
- HTS 03934
MolClass #80991
SZSQSOYLVQQHRN-UHFFFAOYSA-N
- HTS 04502
MolClass #80992
CPJXPVRFHXLPJV-UHFFFAOYSA-N
- HTS 05113
MolClass #80993
DTLYVEMWBOZKLO-UHFFFAOYSA-N
- HTS 05115
MolClass #80994
KASIKKPOWBAPGT-UHFFFAOYSA-N
- HTS 05294
MolClass #80995
YWAGSEBYLLIFLM-UHFFFAOYSA-N
- HTS 05396
MolClass #80996
NAZALSCLQNQQLZ-UHFFFAOYSA-N
- HTS 05413
MolClass #80997
- HTS 05654
MolClass #80998
HEUYRRNRMBUJQQ-UHFFFAOYSA-N
- HTS 05656
MolClass #80999
KMYIMQWOOQCDCX-UHFFFAOYSA-N
- HTS 05664
MolClass #81000
VJIRFNUCIVAFJX-UHFFFAOYSA-N
- HTS 06180
MolClass #81001
KVKUHZAPJTVUSR-UHFFFAOYSA-N
- HTS 06985
MolClass #81002
YLRNGDXABXPNRR-UHFFFAOYSA-N
- HTS 07830
MolClass #81003
ANSDVXNZZFSGFO-UHFFFAOYSA-N
- HTS 08892
MolClass #81004
- HTS 08894
MolClass #81005
- HTS 08925
MolClass #81006
- HTS 09948
MolClass #81007
JJXQJLVNRQFYQY-QGMBQPNBSA-N