Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 1348362
MolClass #17101
GWLFYFDIYJMTCS-UHFFFAOYSA-N
- 1202798
MolClass #17102
NQYZGBCOQMGJFR-UHFFFAOYSA-N
- 1227029
MolClass #17103
HNTHWRGWYDLOED-UHFFFAOYSA-N
- 1937850
MolClass #17104
ZOFWZHBGTQVFBD-RVDMUPIBSA-N
- 1979572
MolClass #17105
IPJMMHZXUQZTBM-UHFFFAOYSA-N
- 3040318
MolClass #17106
IUMMXONQZFGVRS-UHFFFAOYSA-N
- 1975590
MolClass #17107
JEPNVCBKWAJIMA-UHFFFAOYSA-N
- 3123074
MolClass #17108
PDKGMIZMVYLJSQ-UHFFFAOYSA-N
- 1177524
MolClass #17109
YQMYAOCZQUKNRE-UHFFFAOYSA-N
- 1909107
MolClass #17110
FAUJULXEZZQLRA-UHFFFAOYSA-N
- 2067470
MolClass #17111
YEBZZBFCHJNCKE-UHFFFAOYSA-N
- 3036837
MolClass #17112
FAVKHWHKBISVMM-UHFFFAOYSA-N
- 1659135
MolClass #17113
AFYRYLBMABOAHJ-UHFFFAOYSA-N
- 1418748
MolClass #17114
KZNNRIRFHSGXIQ-UHFFFAOYSA-N
- 1908138
MolClass #17115
HWIUCKJBBBFNGG-NGYBGAFCSA-N
- 1923886
MolClass #17116
RGFVYWKEZCEVIR-FMIVXFBMSA-N
- 1943539
MolClass #17117
OILZMLRZVHTDSU-SOFGYWHQSA-N
- 2062313
MolClass #17118
UHNFFMSCFGOBMW-UHFFFAOYSA-N
- 3124034
MolClass #17119
UZDBJSPYNWAVMX-UHFFFAOYSA-N
- 3123265
MolClass #17120
LJCOINGVJDJAMN-UHFFFAOYSA-N
- 3122122
MolClass #17121
- 3173494
MolClass #17122
QFJCIRLUMZQUOT-XWBLMERNSA-N
- 1989
MolClass #17123
- 1129324
MolClass #17124
XKSNWPRSOHVHHN-UHFFFAOYSA-N
- 1937239
MolClass #17125
MAYMNKZQJBDATR-YBFXNURJSA-N
- 1502667
MolClass #17126
- 1950859
MolClass #17127
VFSCAXGPMNIWEZ-RYRKJORJSA-N
- 3021904
MolClass #17128
AXEXXAANIFLMFH-UHFFFAOYSA-N
- 1689389
MolClass #17129
BJCDBUXVOFDNQS-UHFFFAOYSA-N
- 1918767
MolClass #17130
SYTLBLADPXANHR-UHFFFAOYSA-N
- 3118562
MolClass #17131
JOCNSNTWECFNSO-UHFFFAOYSA-N
- 2068923
MolClass #17132
JWUWGIJYILKUJI-UHFFFAOYSA-N
- 2062465
MolClass #17133
PFXSSALDFCJEMJ-UHFFFAOYSA-N
- 3040862
MolClass #17134
- 1980602
MolClass #17135
MELLTYNQRFFHNA-UHFFFAOYSA-N
- 1927230
MolClass #17136
QVUOUDGBSYBZSJ-UHFFFAOYSA-N
- 1204058
MolClass #17137
ASMSESFSWWQWST-UHFFFAOYSA-N
- 1986266
MolClass #17138
WCFFURSZJHAZJV-UHFFFAOYSA-N
- 1918129
MolClass #17139
JAVYGNRMYFQIRR-BMRADRMJSA-N
- 3020489
MolClass #17140
GWSRNBUEDKRLBB-QGMBQPNBSA-N
- 1942720
MolClass #17141
YUQOQUDKIOXMPW-VCHYOVAHSA-N
- 3041237
MolClass #17142
PDJRZMIJHYCNIY-UHFFFAOYSA-N
- 3030932
MolClass #17143
ZVFBMUVQPCKFPX-UHFFFAOYSA-N
- 3029578
MolClass #17144
QQNPPLAANJNGGZ-UHFFFAOYSA-N
- 3040451
MolClass #17145
VEVVHJTUSNUKQV-UHFFFAOYSA-N
- 1921826
MolClass #17146
JZADIKIGKNQPRY-PPOKSSTKSA-N
- 1335081
MolClass #17147
- 1647222
MolClass #17148
OWDFRBQDUVVHRH-UHFFFAOYSA-N
- 1926525
MolClass #17149
XOMVWKLYTOPTJY-MDZDMXLPSA-N
- 2075364
MolClass #17150
ZUZFNOLZGIRFDG-UHFFFAOYSA-N
- 1151088
MolClass #17151
WVIPJYOTRZPIAR-UHFFFAOYSA-N
- 3043069
MolClass #17152
TURYPAAYQODQCB-UHFFFAOYSA-N
- 1142656
MolClass #17153
TVVSOKALYIIYGY-UHFFFAOYSA-N
- 1488515
MolClass #17154
JIFKVRPMGDWZAD-UHFFFAOYSA-N
- 1258274
MolClass #17155
UAKSXXKKCRMYGK-UHFFFAOYSA-N
- 2068373
MolClass #17156
- 1934465
MolClass #17157
- 3122740
MolClass #17158
CLTZRVUBOGKDSJ-UHFFFAOYSA-N
- 3117679
MolClass #17159
LEEYYBLQYWKAAT-OWBHPGMISA-N
- 2070329
MolClass #17160
XSZYRDRUTYFQFO-UHFFFAOYSA-N
- 2070110
MolClass #17161
KOYSOQGZEHSEKL-DJKKODMXSA-N
- 1712509
MolClass #17162
CCOLXXYFZUTMHG-UHFFFAOYSA-N
- 1430318
MolClass #17163
NBDVCFGPFZHFGK-UHFFFAOYSA-N
- 1908590
MolClass #17164
YOTWFKUQYGVSNA-UHFFFAOYSA-N
- 3022592
MolClass #17165
XHTJJGIZKDNAEB-UHFFFAOYSA-N
- 1986573
MolClass #17166
DCMQCOMQASORMW-UHFFFAOYSA-N
- 1981937
MolClass #17167
XFCWMUFGAQYFEK-UHFFFAOYSA-N
- 2060087
MolClass #17168
MMUSWMCGLGFCKL-UQDBACPCSA-N
- 1157014
MolClass #17169
- 2063154
MolClass #17170
- 1725386
MolClass #17171
ZGIAHBOYWAOLTL-UHFFFAOYSA-N
- 1932947
MolClass #17172
YASWDHBJEDWKDS-UHFFFAOYSA-N
- 1922716
MolClass #17173
SIWQFKOPRRMTNM-VIZOYTHASA-N
- 1606129
MolClass #17174
NPLVBOXATNWWCU-UHFFFAOYSA-N
- 1987577
MolClass #17175
ZIXZUJGRFYPACJ-UHFFFAOYSA-N
- 2067985
MolClass #17176
UQGRBXNXIVUGMC-MDZDMXLPSA-N
- 3012418
MolClass #17177
WIKBRMUYFUUQKZ-NXHOZURCSA-N
- 1942993
MolClass #17178
LWKATNRNJGJLAS-UHFFFAOYSA-N
- 2074822
MolClass #17179
LACBIFKKUQUYGG-UHFFFAOYSA-N
- 1918213
MolClass #17180
- 2066306
MolClass #17181
ADTKZHDMVKAPGW-WYMLVPIESA-N
- 1607338
MolClass #17182
ZRRXYJYBNGROMZ-UHFFFAOYSA-N
- 1984805
MolClass #17183
- 2062041
MolClass #17184
ZJHKZEBQGLWEBN-KEBDBYFISA-N
- 1927073
MolClass #17185
CQFQPCVLOKLVGL-UHFFFAOYSA-N
- 1923268
MolClass #17186
XIPFAOMNSVCXJG-UHFFFAOYSA-N
- 1955025
MolClass #17187
YEYJVNQDRAOQDL-UHFFFAOYSA-N
- 2068851
MolClass #17188
UTVUJCAHSHFXCQ-UHFFFAOYSA-N
- 1932461
MolClass #17189
- 1949395
MolClass #17190
CKKMUHNCERUBPK-UHFFFAOYSA-N
- 1988522
MolClass #17191
ZLEXSENZYPGFKA-UHFFFAOYSA-N
- 3028417
MolClass #17192
RKNPSKPCKPOHGU-UHFFFAOYSA-N
- 1950364
MolClass #17193
TUWUCMMTBBYBSS-UHFFFAOYSA-N
- 1424101
MolClass #17194
HAAVQZPZYWUDMD-UHFFFAOYSA-N
- 1469291
MolClass #17195
CWUCHOMHJQWEGP-UHFFFAOYSA-N
- 1496983
MolClass #17196
NQGLJXQKLCMIMG-UHFFFAOYSA-N
- 3028539
MolClass #17197
FBXAWSOVWXKEJW-UHFFFAOYSA-N
- 1950467
MolClass #17198
CTDYOXIORUOFAR-LZYBPNLTSA-N
- 2068302
MolClass #17199
NHUVVDAZBQGXOC-UHFFFAOYSA-N
- 1917750
MolClass #17200