Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- LOPAC 01348
MolClass #601
ONYFNWIHJBLQKE-UHFFFAOYSA-N
- LOPAC 00122
MolClass #602
HSRPTPAPMBHRRJ-UHFFFAOYSA-N
- LOPAC 00385
MolClass #603
CANPFCFJURGKAX-UHFFFAOYSA-N
- LOPAC 00608
MolClass #604
XMAYWYJOQHXEEK-UHFFFAOYSA-N
- LOPAC 01000
MolClass #605
PDJGPBAMXFVBLT-UHFFFAOYSA-N
- LOPAC 01324
MolClass #606
MWIASLNTAGRGGA-UHFFFAOYSA-N
- LOPAC 00048
MolClass #607
NNJVILVZKWQKPM-UHFFFAOYSA-N
- LOPAC 01017
MolClass #608
JLPYLHLUHJOPNL-UHFFFAOYSA-N
- LOPAC 00980
MolClass #609
HUYWAWARQUIQLE-UHFFFAOYSA-N
- LOPAC 00584
MolClass #610
UQTZMGFTRHFAAM-UHFFFAOYSA-N
- LOPAC 00200
MolClass #611
RNOJGTHBMJBOSP-UHFFFAOYSA-N
- LOPAC 00047
MolClass #612
HUJXGQILHAUCCV-UHFFFAOYSA-N
- LOPAC 00994
MolClass #613
OZWKMVRBQXNZKK-UHFFFAOYSA-N
- LOPAC 01001
MolClass #614
YMBXTVYHTMGZDW-UHFFFAOYSA-N
- LOPAC 01006
MolClass #615
ZEKZLJVOYLTDKK-UHFFFAOYSA-N
- LOPAC 00201
MolClass #616
PYEBKOFMWAMBFV-UHFFFAOYSA-O
- LOPAC 01018
MolClass #617
JCCNYMKQOSZNPW-UHFFFAOYSA-N
- LOPAC 00434
MolClass #618
DXDRHHKMWQZJHT-FPYGCLRLSA-N
- LOPAC 00441
MolClass #619
UYZFAUAYFLEHRC-UHFFFAOYSA-N
- LOPAC 00315
MolClass #620
SVFXPTLYMIXFRX-UHFFFAOYSA-N
- LOPAC 00992
MolClass #621
BJSDNVVWJYDOLK-UHFFFAOYSA-N
- LOPAC 00995
MolClass #622
DKYWVDODHFEZIM-UHFFFAOYSA-N
- LOPAC 01002
MolClass #623
SGUAFYQXFOLMHL-UHFFFAOYSA-N
- LOPAC 01311
MolClass #624
PYZRQGJRPPTADH-UHFFFAOYSA-N
- LOPAC 01011
MolClass #625
IUXBQXVKCIOQKX-UHFFFAOYSA-N
- LOPAC 01019
MolClass #626
HLFSDGLLUJUHTE-UHFFFAOYSA-N
- LOPAC 00605
MolClass #627
CGIGDMFJXJATDK-UHFFFAOYSA-N
- LOPAC 01342
MolClass #628
VMWNQDUVQKEIOC-UHFFFAOYSA-N
- LOPAC 00046
MolClass #629
ISEHJSHTIVKELA-UHFFFAOYSA-N
- LOPAC 00990
MolClass #630
- LOPAC 00996
MolClass #631
SPIFQXPRSJKRAO-UHFFFAOYSA-N
- LOPAC 01310
MolClass #632
RINPELQWLUGERM-UHFFFAOYSA-N
- LOPAC 01007
MolClass #633
MXYUKLILVYORSK-UHFFFAOYSA-N
- LOPAC 01012
MolClass #634
- LOPAC 01020
MolClass #635
YKYOQIXTECBVBB-UHFFFAOYSA-N
- LOPAC 00981
MolClass #636
RQYIUGOJQFWLAZ-UHFFFAOYSA-N
- LOPAC 00511
MolClass #637
BCGWQEUPMDMJNV-UHFFFAOYSA-N
- LOPAC 00987
MolClass #638
UXABARREKCJULM-UHFFFAOYSA-N
- LOPAC 00440
MolClass #639
JKYJSFISYHSNOE-UHFFFAOYSA-N
- LOPAC 00597
MolClass #640
SRJOCJYGOFTFLH-UHFFFAOYSA-N
- LOPAC 00997
MolClass #641
ZCVMWBYGMWKGHF-UHFFFAOYSA-N
- LOPAC 01003
MolClass #642
QYUXPWDVDMSTKR-UHFFFAOYSA-O
- LOPAC 00444
MolClass #643
RDOIQAHITMMDAJ-UHFFFAOYSA-N
- LOPAC 01013
MolClass #644
- LOPAC 01349
MolClass #645
CZQHHVNHHHRRDU-UHFFFAOYSA-N
- LOPAC 00059
MolClass #646
GLKCOBIIZKYKFN-UHFFFAOYSA-N
- LOPAC 00988
MolClass #647
MFOOVZCXWVAWOV-UHFFFAOYSA-M
- LOPAC 00124
MolClass #648
VFIDUCMKNJIJTO-UHFFFAOYSA-N
- LOPAC 00993
MolClass #649
ZNIBIJIBEXSCNO-UHFFFAOYSA-N
- LOPAC 00372
MolClass #650
HCZHHEIFKROPDY-UHFFFAOYSA-N
- LOPAC 01004
MolClass #651
QZPQTZZNNJUOLS-UHFFFAOYSA-N
- LOPAC 01008
MolClass #652
WDRYRZXSPDWGEB-UHFFFAOYSA-N
- LOPAC 00275
MolClass #653
NAUWTFJOPJWYOT-UHFFFAOYSA-N
- LOPAC 00049
MolClass #654
XJGVXQDUIWGIRW-UHFFFAOYSA-N
- LOPAC 00512
MolClass #655
JQYLIGHHVGCTPR-UHFFFAOYSA-N
- LOPAC 01022
MolClass #656
- LOPAC 01028
MolClass #657
- LOPAC 01039
MolClass #658
XLFWDASMENKTKL-UHFFFAOYSA-N
- LOPAC 00522
MolClass #659
WZHJKEUHNJHDLS-UHFFFAOYSA-N
- LOPAC 01048
MolClass #660
SBDNJUWAMKYJOX-UHFFFAOYSA-M
- LOPAC 01051
MolClass #661
IUBSYMUCCVWXPE-UHFFFAOYSA-N
- LOPAC 01312
MolClass #662
- LOPAC 01060
MolClass #663
NGBKFLTYGSREKK-UHFFFAOYSA-N
- LOPAC 00513
MolClass #664
IEKOTSCYBBDIJC-UHFFFAOYSA-M
- LOPAC 00202
MolClass #665
YEJCDKJIEMIWRQ-UHFFFAOYSA-N
- LOPAC 01029
MolClass #666
- LOPAC 01034
MolClass #667
LMOINURANNBYCM-UHFFFAOYSA-N
- LOPAC 01040
MolClass #668
RIRWYIGLVMPJBZ-UHFFFAOYSA-N
- LOPAC 00467
MolClass #669
PZRHRDRVRGEVNW-UHFFFAOYSA-N
- LOPAC 01052
MolClass #670
NEWKHUASLBMWRE-UHFFFAOYSA-N
- LOPAC 01056
MolClass #671
CQOQDQWUFQDJMK-UHFFFAOYSA-N
- LOPAC 01061
MolClass #672
IKMDFBPHZNJCSN-UHFFFAOYSA-N
- LOPAC 00514
MolClass #673
DDHAJFBBJWHSBR-UHFFFAOYSA-N
- LOPAC 01023
MolClass #674
- LOPAC 01030
MolClass #675
- LOPAC 00546
MolClass #676
UEQUQVLFIPOEMF-UHFFFAOYSA-N
- LOPAC 01041
MolClass #677
HZQDCMWJEBCWBR-UHFFFAOYSA-N
- LOPAC 00611
MolClass #678
BTFHLQRNAMSNLC-UHFFFAOYSA-N
- LOPAC 00740
MolClass #679
DNCAZYRLRMTVSF-UHFFFAOYSA-N
- LOPAC 01053
MolClass #680
- LOPAC 00501
MolClass #681
UFULAYFCSOUIOV-UHFFFAOYSA-N
- LOPAC 00447
MolClass #682
NTNWOCRCBQPEKQ-UHFFFAOYSA-N
- LOPAC 00289
MolClass #683
- LOPAC 01024
MolClass #684
FCDRFVCGMLUYPG-UHFFFAOYSA-N
- LOPAC 01031
MolClass #685
WPNJAUFVNXKLIM-UHFFFAOYSA-N
- LOPAC 01014
MolClass #686
MLDCBJPLHBPJET-UHFFFAOYSA-N
- LOPAC 00449
MolClass #687
SDDKIZNHOCEXTF-UHFFFAOYSA-N
- LOPAC 01046
MolClass #688
CCPLITQNIFLYQB-UHFFFAOYSA-L
- LOPAC 00150
MolClass #689
FHQDWPCFSJMNCT-UHFFFAOYSA-N
- LOPAC 00050
MolClass #690
VQAYFKKCNSOZKM-UHFFFAOYSA-N
- LOPAC 00052
MolClass #691
CAWZRIXWFRFUQB-UHFFFAOYSA-L
- LOPAC 01062
MolClass #692
JRDUBBHIPPPSLP-UHFFFAOYSA-N
- LOPAC 00515
MolClass #693
WSLTYZVXORBNLB-UHFFFAOYSA-N
- LOPAC 00291
MolClass #694
TTWJBBZEZQICBI-UHFFFAOYSA-N
- LOPAC 01321
MolClass #695
BITHABUTZRAUGT-UHFFFAOYSA-N
- LOPAC 01036
MolClass #696
- LOPAC 01042
MolClass #697
QXMGSJSQHWXUQG-OUKQBFOZSA-N
- LOPAC 01322
MolClass #698
PTCPMRKGGUPNDO-UHFFFAOYSA-M
- LOPAC 01049
MolClass #699
VRYMTAVOXVTQEF-UHFFFAOYSA-N
- LOPAC 00172
MolClass #700
SCXPEAQTFILILV-UHFFFAOYSA-N