Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- BTB 01345
MolClass #80308
OMIYGSQXMPMWIY-DJKKODMXSA-N
- BTB 01397
MolClass #80309
KJLBEOJBJMESCL-UHFFFAOYSA-N
- BTB 01431
MolClass #80310
FIXNJKQUJNGCMS-UHFFFAOYSA-N
- BTB 01473
MolClass #80311
XFWGBXCAZQDMAN-BHGWPJFGSA-N
- BTB 01480
MolClass #80312
WLQJVVWTKNKKSW-UHFFFAOYSA-N
- BTB 01594
MolClass #80313
MJZDVFPUVGOBSW-AWNSZPOUSA-N
- BTB 03433
MolClass #80314
YCSONRVOBAQYNN-UHFFFAOYSA-N
- BTB 03574
MolClass #80315
IVFRBCPKCBGKSU-UHFFFAOYSA-N
- BTB 03608
MolClass #80316
MFNDCHSBXMUFAA-UHFFFAOYSA-N
- BTB 03925
MolClass #80317
AXHSBMDFKMRABG-VIZOYTHASA-N
- BTB 04194
MolClass #80318
DTQQJUNAVVICCX-UHFFFAOYSA-N
- BTB 04231
MolClass #80319
BDFGJUPCYWBTHS-UHFFFAOYSA-N
- BTB 04463
MolClass #80320
OABJBZPYRGPIPZ-GIJQJNRQSA-N
- BTB 04953
MolClass #80321
- BTB 05066
MolClass #80322
HLPRBOWIXLAKLA-UHFFFAOYSA-N
- BTB 05122
MolClass #80323
OWIGYIAELLSLGF-UHFFFAOYSA-N
- BTB 05144
MolClass #80324
LHTZPYNFHWCRAZ-MYHMWQFYSA-N
- BTB 05419
MolClass #80325
SSKUMAXOBVWJHS-UHFFFAOYSA-N
- BTB 05486
MolClass #80326
UHRPQRRENMILIX-UHFFFAOYSA-N
- BTB 05661
MolClass #80327
MJYCMZXRHJIRBQ-UHFFFAOYSA-N
- BTB 06084
MolClass #80328
UHKQRVHKTCJLIX-PJQLUOCWSA-N
- BTB 06237
MolClass #80329
CWGMTKYIWZZWGH-UHFFFAOYSA-N
- BTB 06387
MolClass #80330
- BTB 06428
MolClass #80331
FRTOEASNXKEWDT-UHFFFAOYSA-N
- BTB 06691
MolClass #80332
XOZOIOIROIMMHE-UHFFFAOYSA-N
- BTB 06791
MolClass #80333
OQUWBBVOCYBVAK-UHFFFAOYSA-N
- BTB 07002
MolClass #80334
QHDKUMWGJGJYHM-UHFFFAOYSA-N
- BTB 07082
MolClass #80335
USPMXMITKGMMIR-UKTHLTGXSA-N
- BTB 07385
MolClass #80336
SKDGIMZHRZLHLJ-RMKNXTFCSA-N
- BTB 07880
MolClass #80337
- BTB 08239
MolClass #80338
LJKKLVRCCUONBH-UHFFFAOYSA-N
- BTB 08317
MolClass #80339
TUSVXLJYJYJKDC-UHFFFAOYSA-N
- BTB 08363
MolClass #80340
MFULJCMNLNZEFB-UHFFFAOYSA-N
- BTB 08370
MolClass #80341
CTGQTHYRHUSTJL-UHFFFAOYSA-N
- BTB 08512
MolClass #80342
MSLSVGAFMBHPQZ-UHFFFAOYSA-N
- BTB 08537
MolClass #80343
RPFYHXJJNNIMLF-DEDYPNTBSA-N
- BTB 08545
MolClass #80344
RBDCHOFOPOUIJX-UHFFFAOYSA-N
- BTB 09041
MolClass #80345
JTUGQVNGGDUOLN-ODLFYWEKSA-N
- BTB 10282
MolClass #80346
AEJUUUJRUDHVBS-UHFFFAOYSA-N
- BTB 10396
MolClass #80347
JEUZGWLEQMLGRS-UHFFFAOYSA-N
- BTB 10539
MolClass #80348
VYYBCAHILYIJAJ-OBGWFSINSA-N
- BTB 11052
MolClass #80349
USTXKTNMOIJROV-MTJSOVHGSA-N
- BTB 11704
MolClass #80350
FEHDDMUMJIFOOE-UHFFFAOYSA-N
- BTB 11781
MolClass #80351
LENDLYABEQECQD-MDZDMXLPSA-N
- BTB 12761
MolClass #80352
WKZWLACQLLJCSQ-UHFFFAOYSA-N
- BTB 13088
MolClass #80353
DEIGXBAZAOVYHC-UHFFFAOYSA-N
- BTB 13588
MolClass #80354
YKVJJTZYVJOCKK-UHFFFAOYSA-N
- BTB 13702
MolClass #80355
PYTOHIUBXSJKQH-UHFFFAOYSA-N
- BTB 13761
MolClass #80356
- BTB 13763
MolClass #80357
WROIKDWIDSREQN-UHFFFAOYSA-N
- BTB 13765
MolClass #80358
OLPQWMDQRXDAIN-UHFFFAOYSA-N
- BTB 13845
MolClass #80359
PHHYORWHLDBOOP-UHFFFAOYSA-N
- BTB 14688
MolClass #80360
NWTDYAUCOZUTQK-UHFFFAOYSA-N
- BTB 14852
MolClass #80361
RYONAOWCIYPQCJ-LBPAWUGGSA-N
- BTB 14910
MolClass #80362
COPCGNRWKOWHJI-UHFFFAOYSA-N
- CD 00707
MolClass #80363
HEEYGXFJGHYMPM-UHFFFAOYSA-N
- CD 00752
MolClass #80364
BZWZITZVOQYHCA-UKTHLTGXSA-N
- CD 00756
MolClass #80365
SOHLANGNFXOOEF-GXDHUFHOSA-N
- CD 00759
MolClass #80366
CIXKMQYKNWKSNZ-UKTHLTGXSA-N
- CD 00823
MolClass #80367
- CD 01737
MolClass #80368
JTSXBBDWXPSBQM-UHFFFAOYSA-N
- CD 01803
MolClass #80369
ZWJZYGYAGPZXBU-KVSWJAHQSA-N
- CD 01912
MolClass #80370
HUYQKIIESHTVEV-UHFFFAOYSA-N
- CD 02448
MolClass #80371
VYLDWGBHAYIHPY-UHFFFAOYSA-N
- CD 02744
MolClass #80372
VORGXWCQEJRSQU-FRKPEAEDSA-N
- CD 02745
MolClass #80373
GTKSCVIWODPRPD-OVCLIPMQSA-N
- CD 02830
MolClass #80374
ZENSJSWLZUZPGP-UHFFFAOYSA-N
- CD 02860
MolClass #80375
MWBSOADSUWSSHV-FRKPEAEDSA-N
- CD 02966
MolClass #80376
ZEWUOGQSSFCHAI-UHFFFAOYSA-N
- CD 03254
MolClass #80377
JCZKXRGAZAPQOY-KXEZBXAJSA-N
- CD 03308
MolClass #80378
ADIHTTMPLFMPBK-UHFFFAOYSA-N
- CD 03678
MolClass #80379
MHJWIQPLVUTQDJ-UHFFFAOYSA-N
- CD 04032
MolClass #80380
HNCVJXCSEPNMCR-UHFFFAOYSA-N
- CD 04236
MolClass #80381
MSMRBZQIFWGASD-UHFFFAOYSA-N
- CD 04254
MolClass #80382
ONURPUQVEJPNIQ-UHFFFAOYSA-N
- CD 05071
MolClass #80383
WOUBMEAWKUNBNU-UHFFFAOYSA-N
- CD 05259
MolClass #80384
ZCABVEWGFRBFID-JXMROGBWSA-N
- CD 05404
MolClass #80385
DBYMLLCEOSIDFZ-UHFFFAOYSA-N
- CD 05753
MolClass #80386
ZMCNWJLHUDGDNE-UHFFFAOYSA-N
- CD 06608
MolClass #80387
HNKDSVPPAKQYKK-UHFFFAOYSA-N
- CD 06678
MolClass #80388
DMAQNGPWNJJGCQ-VQHVLOKHSA-N
- CD 06681
MolClass #80389
ATYARZSCGLJYIH-UHFFFAOYSA-N
- CD 06828
MolClass #80390
HYSCLYSSJBEBLQ-UHFFFAOYSA-N
- CD 06834
MolClass #80391
SHLLNHRHBHLDLY-UHFFFAOYSA-N
- CD 06872
MolClass #80392
FJIIZNKTKISOBM-UHFFFAOYSA-N
- CD 06919
MolClass #80393
XHNSTUXYNVYHBA-UHFFFAOYSA-N
- CD 07342
MolClass #80394
GLPLNMOKYXFEPI-UHFFFAOYSA-N
- CD 08368
MolClass #80395
IMYBDPYIGPECID-UHFFFAOYSA-N
- CD 08396
MolClass #80396
BENVIHGIZDOUPU-UHFFFAOYSA-N
- CD 09291
MolClass #80397
CBHMDBQUKKBQCD-AWQFTUOYSA-N
- CD 09661
MolClass #80398
PIOIDRNURAIQDD-UHFFFAOYSA-N
- CD 09821
MolClass #80399
PGZOAUXWXWQTOB-UHFFFAOYSA-N
- CD 10742
MolClass #80400
OVRBYVYBQAUEIQ-UHFFFAOYSA-N
- CD 10788
MolClass #80401
MECWWZPRTRGRSV-UHFFFAOYSA-N
- DFP 00315
MolClass #80402
NSQNMQSYVWUCCW-UHFFFAOYSA-N
- DP 00330
MolClass #80403
ABOFGSDIPOZOTD-UHFFFAOYSA-N
- DP 00453
MolClass #80404
OZFXKKWBNRWDLH-UHFFFAOYSA-N
- DP 00750
MolClass #80405
IMPWGGGRTFHXJR-VNIJRHKQSA-N
- DP 00881
MolClass #80406
DLLVIJACDVJDIP-UHFFFAOYSA-N
- DP 01415
MolClass #80407
PFRBETBPYKUNQQ-UHFFFAOYSA-N