Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- DSHS 00509
MolClass #57856
VJUBSLKIYODGNM-DOJGAQBMSA-N
- BTB 11850
MolClass #57914
YORFMQKZZOXAJH-UHFFFAOYSA-N
- HAN 00349
MolClass #57929
HYWDGRTWXKHAOW-UHFFFAOYSA-N
- HAN 00389
MolClass #57930
VYBOSIDGOCLFAG-UHFFFAOYSA-N
- RJC 02958
MolClass #57969
WHGYFGNRTSDCBM-UHFFFAOYSA-N
- SJC 00393
MolClass #57983
OANVZAJLFWBRAE-MDWZMJQESA-N
- BTB 05727
MolClass #57994
OASNGLRREXBINI-UHFFFAOYSA-N
- JFD 00907
MolClass #58098
MWZBBNVVURUOAV-UHFFFAOYSA-N
- KM 08617
MolClass #58111
MKTRBQZKPDVZSY-UHFFFAOYSA-N
- S 14683
MolClass #58126
SFWHHWXVRUDRKK-UHFFFAOYSA-N
- JFD 00972
MolClass #58181
ZZBHKVIOLKCSRC-QGMBQPNBSA-N
- SPB 03738
MolClass #58215
YTIRHOCYWDBJQI-OVCLIPMQSA-N
- TL 00165
MolClass #58220
IDRNGWAVAQNFSE-UHFFFAOYSA-N
- DFP 00172
MolClass #58239
YPKBXXGFNVFZKJ-UHFFFAOYSA-N
- GK 03162
MolClass #58321
KXMUNWPEHIUIET-UHFFFAOYSA-N
- SPB 02113
MolClass #58373
ZIXUVQNHIJYYOU-UHFFFAOYSA-N
- SEW 05753
MolClass #58455
LSXFUUWIYHCMII-BKUYFWCQSA-N
- RF 01687
MolClass #58589
SHSKYENBYYMPAX-UHFFFAOYSA-N
- RJC 02400
MolClass #58592
OLYSJNQUDPLGNG-UHFFFAOYSA-N
- HTS 01570
MolClass #58629
WCPFZGBUCMKJHI-UHFFFAOYSA-N
- KM 07677
MolClass #58647
DTOWHOLOGOKQHG-UHFFFAOYSA-N
- MBE 00086
MolClass #58652
NGEIORFKAWRGGP-UHFFFAOYSA-N
- S 05229
MolClass #58667
LRCFBRUAUCWMAU-UHFFFAOYSA-N
- RB 00150
MolClass #58737
SEQAWNPOKAZYCO-UHFFFAOYSA-N
- S 12623
MolClass #58753
LGJBEXBPKIYLBG-UHFFFAOYSA-N
- BTB 07554
MolClass #58773
BGPNBDFDKIAVLD-UHFFFAOYSA-N
- SEW 06158
MolClass #58839
POMMUFLYPKGEBX-UHFFFAOYSA-N
- KM 06501
MolClass #58879
BQWBJVIJXFSBLH-UHFFFAOYSA-N
- S 11074
MolClass #58900
RIFVPOHZBSIFRL-IZZDOVSWSA-N
- SEW 02357
MolClass #58905
CTJBFHNDPIQRLQ-CGOBSMCZSA-N
- CD 03595
MolClass #58932
JKSALIGGUXFTHK-UHFFFAOYSA-N
- CD 09192
MolClass #58934
FRVZOILYNFWKIX-ONNFQVAWSA-N
- RDR 03520
MolClass #58975
FKVZBMDUKATCTK-UHFFFAOYSA-N
- S 07629
MolClass #58987
DBXXQONEERBWAI-UHFFFAOYSA-N
- KM 06529
MolClass #59038
NMTCNEQKSRYVGC-UHFFFAOYSA-N
- DFP 00003
MolClass #59097
PKUQKRHBPUYYAW-LHHJGKSTSA-N
- KM 06301
MolClass #59120
HQSVVUZNLSRPKQ-UHFFFAOYSA-N
- KM 06580
MolClass #59121
KWNHVMUIIGJQRF-UHFFFAOYSA-N
- RJC 00417
MolClass #59138
CIJWTVQRDVHOMF-UHFFFAOYSA-N
- SPB 00379
MolClass #59152
JRRFJAOZKUYNOF-UHFFFAOYSA-N
- FM 00136
MolClass #59172
UJNRFMIPHRZNRJ-UHFFFAOYSA-N
- RDR 00966
MolClass #59213
INZHZZRXZVJZJE-UHFFFAOYSA-N
- RF 03548
MolClass #59215
CFKIYXJSWYTYJW-XFFZJAGNSA-N
- S 03777
MolClass #59221
PTZNNSQNWBJDFK-GZTJUZNOSA-N
- S 04777
MolClass #59222
XCUJGLTVYMOHQD-LHHJGKSTSA-N
- SJC 00125
MolClass #59228
AGANOYHGGFJXIW-UHFFFAOYSA-N
- SP 00208
MolClass #59229
XWGINZLDKOSTLX-UHFFFAOYSA-N
- BTB 05336
MolClass #59244
XEUMFIXHCDHXCI-UHFFFAOYSA-N
- CD 10705
MolClass #59257
WTCRIRRIUWKBPC-UHFFFAOYSA-N
- PD 00549
MolClass #59362
DQBXVDRKIWDMGP-UHFFFAOYSA-N
- BTB 04719
MolClass #59395
SYJZYFOTCABQES-UHFFFAOYSA-N
- KM 10153
MolClass #59429
NMSIJVQYQWFAQP-UHFFFAOYSA-N
- CD 08635
MolClass #59480
HPWWLMVQIYHLNN-UHFFFAOYSA-N
- HTS 02581
MolClass #59491
QDYFSQAMADWDJR-UHFFFAOYSA-N
- RJC 01735
MolClass #59525
JADVCVRZSJSHGY-UHFFFAOYSA-N
- RH 01496
MolClass #59600
YQJREQCYYPPYRV-UHFFFAOYSA-N
- RJC 00994
MolClass #59604
SSGGEULUTOSRAD-MDWZMJQESA-N
- SEW 05461
MolClass #59689
WZQDWSOZUPJCTO-UHFFFAOYSA-N
- SPB 08198
MolClass #59772
ZEETYMQMBUWUTD-UHFFFAOYSA-N
- JA 00094
MolClass #59799
YUUOZECVZZSAST-CAOOACKPSA-N
- SEW 01176
MolClass #59835
ZHWCQWCRQVJDEF-DJKKODMXSA-N
- HTS 07814
MolClass #59873
LEWRHVSZYIRMQG-UHFFFAOYSA-N
- JFD 03186
MolClass #59885
DYTZMZHJBZDCNH-UHFFFAOYSA-N
- SEW 01466
MolClass #59908
WEGRIDRUSLTNJC-UHFFFAOYSA-N
- SP 01345
MolClass #59915
ITTVZCJNLJMVBL-UHFFFAOYSA-N
- MGH 00136
MolClass #60044
YGDJRSABKQRHHV-UHFFFAOYSA-N
- MWP 00776
MolClass #60045
BHBKNDXQWDKPHA-UHFFFAOYSA-N
- S 01335
MolClass #60057
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
- S 05769
MolClass #60060
NHZDQPALARMRCB-OQLLNIDSSA-N
- SPB 02854
MolClass #60080
HBBAQSLZMOLWKJ-UHFFFAOYSA-N
- KM 02231
MolClass #60202
GSQPSOZFQZQETH-LICLKQGHSA-N
- RJF 01955
MolClass #60216
ZJVDOBAFVPEOBJ-UHFFFAOYSA-N
- SPB 00900
MolClass #60228
HOYVBNCWHULDKX-UHFFFAOYSA-N
- CD 02154
MolClass #60247
HDUBURASMLBOIM-UHFFFAOYSA-N
- RF 04603
MolClass #60283
ONJATBCIEXMOGN-UHFFFAOYSA-N
- S 04055
MolClass #60289
MRIPBMLVEZJCCW-UHFFFAOYSA-N
- BTB 08441
MolClass #60471
ZSMGANHBHANNHF-UHFFFAOYSA-N
- CD 08239
MolClass #60477
JVUSVLUQMXGABO-UHFFFAOYSA-N
- KM 00713
MolClass #60501
QSCOYIKVZNRTPU-VMPITWQZSA-N
- MWP 00917
MolClass #60506
CBYDNRHWOADJBN-UHFFFAOYSA-N
- RDR 00802
MolClass #60515
PVWQTWSDPZBROQ-DJKKODMXSA-N
- RJC 03162
MolClass #60527
CYNXHIKETOAAPK-UHFFFAOYSA-N
- SEW 04397
MolClass #60536
CPPIXAYHVATBIL-UHFFFAOYSA-N
- GK 02434
MolClass #60562
WVAFKVHWCUTRGC-UHFFFAOYSA-N
- SPB 06942
MolClass #60616
REFFHUGGSZHMHE-UHFFFAOYSA-N
- KM 04177
MolClass #60740
ADBXWUZSROZWFH-UHFFFAOYSA-N
- BTB 10323
MolClass #60786
VGLNXCCOYCGRLG-UHFFFAOYSA-M
- XBX 00150
MolClass #60856
MPQHRPVQJUEINF-UHFFFAOYSA-N
- CD 02506
MolClass #60868
GAQHIVHFFHJUMD-UHFFFAOYSA-N
- DSHS 00100
MolClass #60874
KEKRQYLNXCLQTB-UHFFFAOYSA-N
- KM 03967
MolClass #60899
OZTRKYXYEHTYCP-UHFFFAOYSA-N
- CD 11507
MolClass #60944
WDLAIVBTFNPRAO-UHFFFAOYSA-N
- CD 08622
MolClass #61018
DPWFKMRPVLCIJY-UHFFFAOYSA-N
- HTS 01888
MolClass #61024
UCXPADFLLYEOSG-UHFFFAOYSA-N
- JFD 04071
MolClass #61036
QIFBVYLHLLTNLI-KAMYIIQDSA-N
- BR 00082
MolClass #61089
AOCGUEOYJUMIQF-UHFFFAOYSA-N
- HAN 00328
MolClass #61106
PBUFYSZRFULFCF-UHFFFAOYSA-N
- SPB 07427
MolClass #61239
OEXJMCHPMNOWKI-UHFFFAOYSA-N
- CD 10146
MolClass #61333
ODSUJINGNUMGTB-GXDHUFHOSA-N
- KM 05853
MolClass #61351
DMLRJQXMALXSKU-UHFFFAOYSA-N