Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 3243321
MolClass #10001
ICVYJFGEDQPWBP-UHFFFAOYSA-N
- 3243290
MolClass #10002
XFWZCGBSXBBLDJ-UHFFFAOYSA-N
- 3243211
MolClass #10003
HPWXXIQQCNGKLV-UHFFFAOYSA-N
- 3242983
MolClass #10004
TZJIPJWKVRVWBR-UHFFFAOYSA-N
- 3242906
MolClass #10005
DDINDQCBKGHLFJ-UHFFFAOYSA-N
- 3242810
MolClass #10006
ZPJRWICTQQZYDM-UHFFFAOYSA-N
- 3242478
MolClass #10007
CRBVFAPPBCGZBF-UHFFFAOYSA-N
- 5771785
MolClass #10008
ZAYOCMDTYQMKTE-LFIBNONCSA-N
- 3242434
MolClass #10009
VYDKIYBONPPDRB-UHFFFAOYSA-N
- 3242388
MolClass #10010
UHVNLURISRUHKA-UHFFFAOYSA-N
- 3242169
MolClass #10011
CKILCXCVCLCKBM-UHFFFAOYSA-N
- 3241866
MolClass #10012
NUKDLVFRVXPFCP-UHFFFAOYSA-N
- 3241796
MolClass #10013
CXQUZZKPYSHPMV-UHFFFAOYSA-N
- 3241781
MolClass #10014
XEFIJHMTCVALFO-UHFFFAOYSA-N
- 3241723
MolClass #10015
BZEQRMREWARERO-UHFFFAOYSA-N
- 3241660
MolClass #10016
DQTBFKPBQOQSPF-UHFFFAOYSA-N
- 3242463
MolClass #10017
VTSMLBIZEXDQGW-UHFFFAOYSA-N
- 3241626
MolClass #10018
HTZDZRCLILGQEB-UHFFFAOYSA-N
- 3241570
MolClass #10019
JEIRPOVMZHYWCT-UHFFFAOYSA-N
- 3241512
MolClass #10020
BIGUCKFIBBSIFQ-UHFFFAOYSA-N
- 3247271
MolClass #10021
BJOYJQPKUFGPMS-NNHNJENNSA-N
- 3241402
MolClass #10022
KHSKNUHXDDCAFX-UHFFFAOYSA-N
- 3241283
MolClass #10023
SXDUHUMRKPMSOZ-UHFFFAOYSA-N
- 3241263
MolClass #10024
ARCWJYWFAIPVSQ-UHFFFAOYSA-N
- 3241232
MolClass #10025
UVMQBLBLZBFRRF-UHFFFAOYSA-N
- 3241215
MolClass #10026
KOILERLDQNKZTC-UHFFFAOYSA-N
- 3241163
MolClass #10027
XNLDSALKXMOTER-NBVRZTHBSA-N
- 3241161
MolClass #10028
WQWWJORRPJJYCY-UHFFFAOYSA-N
- 5771798
MolClass #10029
DSCPSYDRRKGPJO-VPGOSRHUSA-N
- 3241124
MolClass #10030
USSZMXRIRGKQLU-UHFFFAOYSA-N
- 3241101
MolClass #10031
OJGHPQIGVYACKI-UHFFFAOYSA-N
- 3241422
MolClass #10032
YHCDGPQQTWQZCW-UHFFFAOYSA-N
- 5771781
MolClass #10033
RMLWMIFCPNWELL-LFIBNONCSA-N
- 3240864
MolClass #10034
RDWZVFIIQHIFNP-UHFFFAOYSA-N
- 3240852
MolClass #10035
IPJBYSCSCXDDEE-XLDPMVHQSA-N
- 3240629
MolClass #10036
WSJSWLQVPVZOKR-UHFFFAOYSA-N
- 3240373
MolClass #10037
JSUVUBSWOGXRIT-UHFFFAOYSA-N
- 3240232
MolClass #10038
FIJGPYYANFEKGF-UHFFFAOYSA-N
- 3245029
MolClass #10039
XFUSOUZKMFKPKM-UHFFFAOYSA-N
- 3240111
MolClass #10040
- 3240101
MolClass #10041
LOIZBJVKBCDYBR-UHFFFAOYSA-N
- 3240023
MolClass #10042
JWNWDVCMUOPRJK-UHFFFAOYSA-N
- 3239989
MolClass #10043
IQIFVAFWCNUUBH-UHFFFAOYSA-N
- 3239961
MolClass #10044
PLUYJPLWISWPBS-UHFFFAOYSA-N
- 5366546
MolClass #10045
NFGXHKASABOEEW-LDRANXPESA-N
- 3239890
MolClass #10046
FPINGFDOQFIVJE-UHFFFAOYSA-N
- 3239769
MolClass #10047
VXRQCXNXEXGTSA-UHFFFAOYSA-N
- 3239718
MolClass #10048
YKTSNDNMDWNUOQ-UHFFFAOYSA-N
- 3239711
MolClass #10049
GQAIPLQSFXPSBO-UHFFFAOYSA-N
- 3239618
MolClass #10050
- 3239562
MolClass #10051
RNUVLOMZPUVHCA-UHFFFAOYSA-N
- 3244132
MolClass #10052
POEJNBCTRBLOCD-UHFFFAOYSA-N
- 5771850
MolClass #10053
CVULGKRHVFGCGX-UDWIEESQSA-N
- 3245339
MolClass #10054
ZJWAZXMWAUBVNH-UHFFFAOYSA-N
- 3239469
MolClass #10055
BBPLHURIVUXONI-UHFFFAOYSA-N
- 5771831
MolClass #10056
IZVYKSOTNOCYLS-CMCURQENSA-N
- 3239368
MolClass #10057
KFPJQBNZNLJKJG-UHFFFAOYSA-N
- 3239318
MolClass #10058
WZQKAYDNQHZEQS-CAPFRKAQSA-N
- 3239180
MolClass #10059
GSRFZTXDGSIHNA-UHFFFAOYSA-N
- 6603772
MolClass #10060
JWBOIMRXGHLCPP-ZDUSSCGKSA-N
- 3239036
MolClass #10061
NFCRWKNWRAOKQC-UHFFFAOYSA-N
- 3238733
MolClass #10062
VKVXVSZEJHGECF-UHFFFAOYSA-N
- 3238689
MolClass #10063
JHJVVGOEHXTQMZ-UHFFFAOYSA-N
- 3238654
MolClass #10064
MYQKZSPFIJYIQU-UHFFFAOYSA-N
- 3238593
MolClass #10065
TZCJKWYHHDLAQP-UHFFFAOYSA-N
- 3238539
MolClass #10066
AFVNMKPJTBIDTM-UHFFFAOYSA-N
- 3238419
MolClass #10067
UUTOABSQIKOQKW-UHFFFAOYSA-N
- 3238417
MolClass #10068
CAHUZYYLADXTHI-UHFFFAOYSA-N
- 3238338
MolClass #10069
LFTJAKPWMYCYTQ-UHFFFAOYSA-N
- 3238214
MolClass #10070
NDVOXAWNJXIRLQ-UHFFFAOYSA-N
- 3238049
MolClass #10071
VEMVOWMEJUWEDA-UHFFFAOYSA-N
- 3237931
MolClass #10072
YTHCTJIATAIHBY-UHFFFAOYSA-N
- 3237885
MolClass #10073
KVAQWFKBVRFFBV-UHFFFAOYSA-N
- 3237879
MolClass #10074
RQZBJQXOIQSDLD-UHFFFAOYSA-N
- 3237764
MolClass #10075
TXFLAQKJWVFTOH-UHFFFAOYSA-N
- 6537498
MolClass #10076
GJGHBJCMOWRRSZ-UHFFFAOYSA-N
- 3237660
MolClass #10077
MORDGEGZZASYEZ-UHFFFAOYSA-N
- 3237613
MolClass #10078
LEOQDIYGKYAGMA-UHFFFAOYSA-N
- 3237599
MolClass #10079
RIFLDPZVUHDPNA-UHFFFAOYSA-N
- 3237584
MolClass #10080
NKWAPYGPOASLEV-UHFFFAOYSA-N
- 3237555
MolClass #10081
UTFXCBOYVVVOGQ-UHFFFAOYSA-N
- 3237518
MolClass #10082
MZVWXJBRVLHBPD-UHFFFAOYSA-N
- 3237447
MolClass #10083
PNKPXOCANVHXSM-UHFFFAOYSA-N
- 3545034
MolClass #10084
NXWJYKOQIRPDQB-UHFFFAOYSA-N
- 3237371
MolClass #10085
BWQWUWOYVDXHPK-UHFFFAOYSA-N
- 3237357
MolClass #10086
STUHOTBHBIKRFS-UHFFFAOYSA-N
- 3237353
MolClass #10087
GMVYQVRGVKHVCN-UHFFFAOYSA-N
- 3237149
MolClass #10088
- 3236740
MolClass #10089
WQFNRBDWQHRFGJ-UHFFFAOYSA-N
- 3236706
MolClass #10090
GHWRCWIUDGUIKF-UHFFFAOYSA-N
- 3236611
MolClass #10091
PYWSAZSJJTYYLH-UHFFFAOYSA-N
- 3236593
MolClass #10092
JQFLBWOTCPQTOP-UHFFFAOYSA-N
- 3236500
MolClass #10093
LKTZQOVIJJGLLN-UHFFFAOYSA-N
- 3236470
MolClass #10094
NFZOKCOPHDPOAA-UHFFFAOYSA-N
- 3236321
MolClass #10095
JIJUNVBLNUUGJC-UHFFFAOYSA-N
- 3236301
MolClass #10096
DCQSADDNJAFBHP-UHFFFAOYSA-N
- 5307641
MolClass #10097
JKKOTYVFYPGBGW-UHFFFAOYSA-N
- 3236254
MolClass #10098
FEMHTZKSJBXSBZ-UHFFFAOYSA-N
- 3239492
MolClass #10099
BQRLQBLGPSWSLT-UHFFFAOYSA-N
- 3236045
MolClass #10100