Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 47
MolClass #18601
MPSXJCHOZVGVGI-CYBMUJFWSA-N
- 36
MolClass #18602
FCNOYFKCLVAMSK-XMMPIXPASA-N
- 44
MolClass #18603
LFTNXNYQMYFYFQ-HXUWFJFHSA-N
- 46
MolClass #18604
RXYFXQIZKHXYEM-QGZVFWFLSA-N
- 57
MolClass #18605
PYACADUHDHRESY-LSYYVWMOSA-N
- 87
MolClass #18606
AYLMXRKNVSOXFZ-UHFFFAOYSA-N
- 88
MolClass #18607
OFDAQIKHAJYTBV-MRXNPFEDSA-N
- 89
MolClass #18608
MUCFNOZSTPFMCD-UHFFFAOYSA-N
- 12
MolClass #18609
GHKBRWJTEPFKOK-AHKZPQOWSA-N
- 90
MolClass #18610
POKMRZCRVSCPFJ-UHFFFAOYSA-N
- 92
MolClass #18611
CVFDRPGKRTVOEX-IBGZPJMESA-N
- 93
MolClass #18612
LWSUAVKYPPCCRD-UHFFFAOYSA-N
- 8
MolClass #18613
PDQQHLCNDQIUPL-AZGAKELHSA-N
- 95
MolClass #18614
YVXRJLHKWQGQSP-HMTLIYDFSA-N
- 96
MolClass #18615
KHXMQJUWPUOVRU-UHFFFAOYSA-N
- 97
MolClass #18616
AGRCGQSFFMCBRE-BJKOFHAPSA-N
- 98
MolClass #18617
SOZKWYUMENWVJY-ZQRQZVKFSA-N
- 14
MolClass #18618
CRPPBRFZGAUWJM-XUZZJYLKSA-N
- 100
MolClass #18619
YOUALJDPRVQZRM-NRFANRHFSA-N
- 58
MolClass #18620
NOAUBUGVIWMDLR-LSYYVWMOSA-N
- 102
MolClass #18621
CCNMUIQVMINDIR-HSZRJFAPSA-N
- 6
MolClass #18622
PMYHFLOBZXJRBP-UHFFFAOYSA-N
- 104
MolClass #18623
PVDHYBJORRALSQ-UHFFFAOYSA-N
- 105
MolClass #18624
FDKBUZKECUQYHR-XMMISQBUSA-N
- 106
MolClass #18625
OECPVFSZEWVKDZ-GOSISDBHSA-N
- 39
MolClass #18626
FXOKEZWUVDSUCM-UXMRNZNESA-N
- 108
MolClass #18627
AGRCGQSFFMCBRE-ZEQRLZLVSA-N
- 109
MolClass #18628
WJAVJDNRILGCRZ-IURCNINISA-N
- 110
MolClass #18629
NPBKHEMDWREFJJ-UHFFFAOYSA-N
- 111
MolClass #18630
PAZBPIOYCPMZGY-HXUWFJFHSA-N
- 112
MolClass #18631
DXDQWWHTNHJMLG-UHFFFAOYSA-N
- 113
MolClass #18632
HAXCRJUOVXOSCT-MUMRKEEXSA-N
- 114
MolClass #18633
YXSYVMVOVUKREN-UHFFFAOYSA-N
- 115
MolClass #18634
MMSOCXBFSNEWLT-UHFFFAOYSA-N
- 117
MolClass #18635
ZSCGTZBZPKJLMG-UHFFFAOYSA-N
- 118
MolClass #18636
XGBZCNBGRVNZRS-JUODMZLFSA-N
- 119
MolClass #18637
ADQRRYKWKYEEDF-UHFFFAOYSA-N
- 120
MolClass #18638
BYERGKHVKYCCJM-DEOSSOPVSA-N
- 121
MolClass #18639
DICGJIGWKLVUGL-DEOSSOPVSA-N
- 123
MolClass #18640
ABSCVYAEKFIXFO-UHFFFAOYSA-N
- 125
MolClass #18641
YZZSRMCQLWIQSL-PMERELPUSA-N
- 126
MolClass #18642
YLLZSPVECHDDAD-IBGZPJMESA-N
- 24
MolClass #18643
VYPFJVYVLHXXNE-MHZLTWQESA-N
- 128
MolClass #18644
FHGHOJUMTKRSCA-UHFFFAOYSA-N
- 129
MolClass #18645
QHNMEYRLLYBYGG-UHFFFAOYSA-N
- 130
MolClass #18646
CRUGEYOXRXIBLR-NSCUHMNNSA-N
- 131
MolClass #18647
PQHFRDIOWWBJIP-HXUWFJFHSA-N
- 59
MolClass #18648
HVEWIOIUIVIDHA-IGKIAQTJSA-N
- 133
MolClass #18649
XZNCKJGAEMMGKU-BOOFMNMKSA-N
- 134
MolClass #18650
RDISPMRBPXPXDR-UHFFFAOYSA-N
- 135
MolClass #18651
OQLKNTOKMBVBKV-UHFFFAOYSA-N
- 101
MolClass #18652
DTWNIZBASLVOFO-UHFFFAOYSA-N
- 137
MolClass #18653
RUYKLYHEIHLGDA-NSCUHMNNSA-N
- 138
MolClass #18654
JPZAPLAFJYUWQP-UHFFFAOYSA-N
- 139
MolClass #18655
VKNTYOZSHHKHTK-UHFFFAOYSA-N
- 140
MolClass #18656
JFYFVXAEDOKQHE-UHFFFAOYSA-N
- 141
MolClass #18657
RWMQCTJUJZAHDI-UHFFFAOYSA-N
- 142
MolClass #18658
YNYVXZDENRCRMJ-ZDIRTLHWSA-N
- 143
MolClass #18659
XHHBEHJUWLOOPY-UHFFFAOYSA-N
- 144
MolClass #18660
CKMZSMXCKBCJMY-NSCUHMNNSA-N
- 145
MolClass #18661
KCQIXXZEEFUYGH-UHFFFAOYSA-N
- 146
MolClass #18662
BVMWUOUQNBEUQC-PMERELPUSA-N
- 147
MolClass #18663
PDOXJLINLNULDP-YNSYCDMWSA-N
- 148
MolClass #18664
BZFKMFXKXIVGFZ-BUUKXYNASA-N
- 149
MolClass #18665
XYMVNSQIFOGUAS-UHFFFAOYSA-N
- 150
MolClass #18666
GLBXBDIEHKDXLC-OWOJBTEDSA-N
- 151
MolClass #18667
VYUKYNPBLSNHKR-UHFFFAOYSA-N
- 152
MolClass #18668
HBSLGUNANPXFOE-GDQKNDLDSA-N
- 153
MolClass #18669
MGSLNQCOIOCSBQ-UHFFFAOYSA-N
- 154
MolClass #18670
AEXABJFYMNKEOB-JTQIOGRKSA-N
- 155
MolClass #18671
LGUMIBZFRCAMKL-HLFXFWDMSA-N
- 156
MolClass #18672
KMUXFASJKPVMGU-UHFFFAOYSA-N
- 157
MolClass #18673
XZUDLMLPCQEKES-UHFFFAOYSA-N
- 158
MolClass #18674
BYERGKHVKYCCJM-XMMPIXPASA-N
- 159
MolClass #18675
AMHANGMCUDSEIH-UHFFFAOYSA-N
- 160
MolClass #18676
WETHBOHPQYGWRR-UHFFFAOYSA-N
- 161
MolClass #18677
MJLGNLSQGWQCLS-UHFFFAOYSA-N
- 30
MolClass #18678
JHORELGKNODOKT-UKILVPOCSA-N
- 163
MolClass #18679
KCAUYVZLUMQIBC-BUUKXYNASA-N
- 164
MolClass #18680
WMXDUMMKAXHXCU-UHFFFAOYSA-N
- 165
MolClass #18681
CHFMVKWHQQCVHZ-YNSYCDMWSA-N
- 166
MolClass #18682
KGDIXRUPHWTRKD-GDQKNDLDSA-N
- 167
MolClass #18683
LCVRBWUCWYMZMG-UHFFFAOYSA-N
- 168
MolClass #18684
FRYMQHCMFLWZSU-UHFFFAOYSA-N
- 169
MolClass #18685
LQGGRNZLSKPEHI-GIMFDSGOSA-N
- 170
MolClass #18686
- 171
MolClass #18687
ZKBVWSCAGDYYEK-UHFFFAOYSA-N
- 172
MolClass #18688
- 173
MolClass #18689
CDSAOICWRXPMSB-UHFFFAOYSA-N
- 174
MolClass #18690
IPLPSOBFFRGWMN-QBHXWDKASA-N
- 175
MolClass #18691
DROPCIKBXHBPQC-OWOJBTEDSA-N
- 176
MolClass #18692
TYGCRUSCHGBIBW-VCZNOJSUSA-N
- 177
MolClass #18693
DXAJHYNCKDFWAU-UHFFFAOYSA-N
- 178
MolClass #18694
JGKDGRZVRGTIIF-OQASYWHQSA-N
- 179
MolClass #18695
RTTQFIGRYFHGSR-YMPLOWLPSA-N
- 40
MolClass #18696
ATSYKJRPTVEDKS-RMVMEJTISA-N
- 107
MolClass #18697
QKNLMIPXSWFEPI-NRSZHQCHSA-N
- 182
MolClass #18698
- 127
MolClass #18699
QKNLMIPXSWFEPI-ZRBLBEILSA-N
- 184
MolClass #18700
KLVFDMVKNCAXRG-UHFFFAOYSA-N