Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- SEW 04443
MolClass #65445
LISLDGCWYOIVSJ-PTNGSMBKSA-N
- BTB 00693
MolClass #65455
AHRKLFIFNSLAFK-LICLKQGHSA-N
- BTB 02153
MolClass #65457
RQWVHVRZWAECPS-BRJLIKDPSA-N
- BTB 06086
MolClass #65460
NHTJKFOTJLQSAO-UHFFFAOYSA-N
- CD 05069
MolClass #65470
PTGKOLSVYATARN-UHFFFAOYSA-N
- CD 11546
MolClass #65553
DGYDYUNBWSVWEX-UHFFFAOYSA-N
- HR 00030
MolClass #65558
OXJNQSUAEPCFJY-UHFFFAOYSA-N
- KM 08828
MolClass #65578
XCBKJYDFFMIZCC-UHFFFAOYSA-N
- RDR 01132
MolClass #65585
DNPHSENPLFICPM-UHFFFAOYSA-N
- SEW 06612
MolClass #65598
SCZXSIZZVVWYBC-UHFFFAOYSA-N
- DP 01985
MolClass #65628
CWWFSXAGIUWFNZ-UHFFFAOYSA-N
- RDR 03950
MolClass #65662
IMCQHMXFPWWXDL-UHFFFAOYSA-N
- BTB 14847
MolClass #65697
AVJMJSFXDMASBX-JKSUJKDBSA-N
- CD 08585
MolClass #65704
OOGQBKYBPNKLLY-UHFFFAOYSA-N
- HTS 03843
MolClass #65716
BPEPKMJSLJPOFO-UHFFFAOYSA-N
- JFD 02882
MolClass #65729
GLOOFJIOUCJFHD-UHFFFAOYSA-N
- S 06150
MolClass #65750
AOUIGUQWCFMGBR-UHFFFAOYSA-N
- BTB 02908
MolClass #65769
SXINKFYGHVFZRA-UHFFFAOYSA-N
- SPB 06520
MolClass #65838
QWWBLWPVERVWOX-UHFFFAOYSA-N
- SPB 08306
MolClass #65840
OHTCJRWKOLBHGG-ONEGZZNKSA-N
- CD 02044
MolClass #65862
XMFRBUFYKPKFES-RIYZIHGNSA-N
- SPB 00521
MolClass #65919
XHMSALJTEYABEQ-UHFFFAOYSA-N
- BTB 10705
MolClass #65930
NDUPKKOZUXENKU-UHFFFAOYSA-N
- JFD 03520
MolClass #65961
GDUFLCCHLCZVCJ-UHFFFAOYSA-N
- EN 00220
MolClass #66016
RCYWWQPAOZXGFF-DUPDGBOPSA-N
- KM 07571
MolClass #66040
GPCCGZHHIFPPCP-UHFFFAOYSA-N
- NRB 02577
MolClass #66046
MNLIWUHXDSRCED-UHFFFAOYSA-N
- KM 05662
MolClass #66117
HUVKBVCUACPACA-UHFFFAOYSA-N
- SPB 05804
MolClass #66153
SXIDHMPECHERDI-UHFFFAOYSA-N
- BTB 14154
MolClass #66164
OQHXZZGZASQSOB-UHFFFAOYSA-N
- JFD 01295
MolClass #66190
RQKUHYQNHJJIFO-GZTJUZNOSA-N
- RJC 03281
MolClass #66212
KNPAQJBQOIAPBP-UHFFFAOYSA-N
- BTB 02990
MolClass #66313
YNOHIMAMOPQYQV-OQLLNIDSSA-N
- BTB 05019
MolClass #66389
RRNMVVBDVXFTPY-UHFFFAOYSA-N
- KM 03417
MolClass #66419
AVWDDGKJJODUDV-UHFFFAOYSA-N
- S 02334
MolClass #66440
RUEOEXBUCHTDSB-UHFFFAOYSA-N
- S 07429
MolClass #66444
YIJCFPNILOSYAF-UHFFFAOYSA-N
- SPB 06992
MolClass #66457
ZHZBFMOCRSCUEE-UHFFFAOYSA-N
- JFD 00511
MolClass #66574
FDEOPFSXGJBPRR-SCSAIBSYSA-N
- JP 00319
MolClass #66577
NFNAVQGBWXSRFH-RMKNXTFCSA-N
- GK 01359
MolClass #66629
KJSQZIOZCOFADT-UHFFFAOYSA-N
- HTS 01884
MolClass #66633
IZHHZLKKKRANIO-UHFFFAOYSA-N
- JFD 02170
MolClass #66654
BSKFZDGPTFUQHU-UHFFFAOYSA-N
- JFD 02342
MolClass #66655
HZTQMHOPSAEKFO-UHFFFAOYSA-N
- CD 07986
MolClass #66703
YACCUBUCBXFJCE-UHFFFAOYSA-N
- HTS 00332
MolClass #66714
UFKHKRYZOJUWJQ-UHFFFAOYSA-N
- RJC 04107
MolClass #66745
CHWZWLLLOJMRNQ-UHFFFAOYSA-N
- SPB 07027
MolClass #66844
FEZJYLFVAWORCN-UHFFFAOYSA-N
- CD 04220
MolClass #66862
POYFRHHWQJLYND-UDWIEESQSA-N
- SEW 01792
MolClass #66912
DVJHFMNHHJTFMP-UHFFFAOYSA-N
- HTS 07134
MolClass #66949
ZNAWJWFMKKSTJM-UHFFFAOYSA-N
- RDR 02549
MolClass #66976
NDRZMEMBKZRNMD-RQZCQDPDSA-N
- CD 02717
MolClass #67016
BDTLTMZQHICIIY-FHIYPCAJSA-N
- JA 00056
MolClass #67191
CEQPEKHLBZNDQM-UHFFFAOYSA-N
- RJC 01100
MolClass #67215
OXUZAAMYHTYRBZ-MDZDMXLPSA-N
- JFD 00950
MolClass #67273
ZFBYNRLQXMCZPT-UHFFFAOYSA-N
- KM 00691
MolClass #67347
RBSPLDQQULXVMP-XMHGGMMESA-N
- JFD 02816
MolClass #67500
YZXDPXIVNVKRNR-UHFFFAOYSA-N
- RJC 00807
MolClass #67523
LUKIIVPGHBZXLC-UHFFFAOYSA-N
- RJC 01442
MolClass #67524
AYQMPXAEGLWFDV-UHFFFAOYSA-N
- JFD 02963
MolClass #67584
UNWLQKDNYSEWNI-UHFFFAOYSA-N
- S 14125
MolClass #67608
HCABRSGOYONOEJ-MDZDMXLPSA-N
- SEW 05894
MolClass #67613
ZAKNUJNICXWQRB-UHFFFAOYSA-N
- BTB 02925
MolClass #67622
YKYFJFVGELLDRX-UHFFFAOYSA-N
- BTB 12931
MolClass #67629
HRRDCWDFRIJIQZ-UHFFFAOYSA-N
- HTS 07401
MolClass #67655
OXAUASONIPUJSL-UHFFFAOYSA-N
- S 04361
MolClass #67688
ZZCHYXQOJIZKSX-UHFFFAOYSA-N
- RB 00158
MolClass #67748
YDGBGLKCFQULNS-UHFFFAOYSA-N
- RDR 03026
MolClass #67750
DTNSRPMGEMBESE-UHFFFAOYSA-N
- RDR 03820
MolClass #67751
OMVHUYAQBLWYAA-UHFFFAOYSA-N
- S 06066
MolClass #67761
WNEKIYRMXWCTGY-UHFFFAOYSA-N
- BTB 05159
MolClass #67865
VMXCPHXFKCRXEJ-UHFFFAOYSA-N
- BTB 12055
MolClass #67869
SQLSVFKUDGYBPO-BUHFOSPRSA-N
- KM 10376
MolClass #67906
NUSOZYWLELABQO-UHFFFAOYSA-N
- RH 01881
MolClass #67916
KOYSMCFIMITNME-LUAWRHEFSA-N
- BTB 04275
MolClass #68062
WANGGOHAYHOIRM-QGMBQPNBSA-N
- HAN 00359
MolClass #68109
YMGYPUVJOUFUGE-UHFFFAOYSA-N
- RDR 03295
MolClass #68179
BIEAYQPEGOMCSZ-UHFFFAOYSA-N
- 5133194
MolClass #68953
RXWKCYQPTDVVSI-UHFFFAOYSA-N
- 5238286
MolClass #70516
NBYBSLZEZJKTKI-KPKJPENVSA-N
- 5277481
MolClass #71368
PMCZITMCECKPEM-UHFFFAOYSA-N
- 5489017
MolClass #73873
MKKRMSXOQAWSBY-HYXAFXHYSA-N
- 5618507
MolClass #75031
JRNZNKVMGWUEKL-UHFFFAOYSA-N
- 5875240
MolClass #77022
VXPXDUGSIZEARG-CSKARUKUSA-N
- Prestw-409
MolClass #78037
ITPDYQOUSLNIHG-UHFFFAOYSA-N
- M 7445
MolClass #79027
KFLWBZPSJQPRDD-ONEGZZNKSA-N
- I 5409
MolClass #79136
QTCFYQHZJIIHBS-UHFFFAOYSA-N
- T1452
MolClass #79189
SAYGKHKXGCPTLX-UHFFFAOYSA-N
- AW 00255
MolClass #80296
NDNOIUZZXOGXEH-UHFFFAOYSA-N
- AW 00421
MolClass #80297
NKMAURKPBMOWRO-UHFFFAOYSA-N
- AW 00430
MolClass #80298
AMNKYHFERGWVCB-UHFFFAOYSA-N
- AW 00475
MolClass #80299
WAYHJVKXLKNEPZ-UHFFFAOYSA-N
- AW 00480
MolClass #80300
GHTZBMLPNWURIO-UHFFFAOYSA-N
- AW 00519
MolClass #80301
CFRUILDDWJJURK-UHFFFAOYSA-N
- AW 00564
MolClass #80302
YLOMVRIFMKRMJR-UHFFFAOYSA-N
- AW 00594
MolClass #80303
PCUDURVTMZYQGZ-UHFFFAOYSA-N
- AW 00603
MolClass #80304
URUZMHVZRVZWSE-UHFFFAOYSA-N
- AW 00637
MolClass #80305
IJJUCMDOZTXFBB-UHFFFAOYSA-N
- BTB 00803
MolClass #80306
ZVBZDNCMTOBXBP-UHFFFAOYSA-N
- BTB 01259
MolClass #80307
ZGGLALWTOCSQNP-JOFLXYQRSA-N