Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- COc1ccc(cc1OC)C(O)=O
MolClass #152139
DAUAQNGYDSHRET-UHFFFAOYSA-N
- Cc1cc(C)cc(c1)C(O)=O
MolClass #152140
UMVOQQDNEYOJOK-UHFFFAOYSA-N
- [Ba+2].[O-]C(C)=O.[O-]C(C)=O
MolClass #152141
ITHZDDVSAWDQPZ-UHFFFAOYSA-L
- [ClH-].[ClH-].[Co+2]
MolClass #152142
VQYMFHIJEOVZIT-UHFFFAOYSA-N
- [ClH-].[Cs+]
MolClass #152143
UPNWNNCQXAQJMT-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(cc(c1N(CCC)CCC)[N+]([O-])=O)S(N)(=O)=O
MolClass #152144
UNAHYJYOSSSJHH-UHFFFAOYSA-N
- Cc1cccc(OCC(=O)NN=Cc2oc(Br)cc2)c1
MolClass #152145
AVJZEABFXJUNSU-UHFFFAOYSA-N
- O=C(Nc1cccc(C=CC(=O)c2ccccc2)c1)c1sccc1
MolClass #152146
LUIJVPLOQGIFHB-UHFFFAOYSA-N
- OC(=O)CCCCCNC(=O)OCC1c2ccccc2c2ccccc12
MolClass #152147
FPCPONSZWYDXRD-UHFFFAOYSA-N
- OC(=O)c1ccc(F)cc1F
MolClass #152148
NJYBIFYEWYWYAN-UHFFFAOYSA-N
- [ClH-].C[n+]1cccc(c1)C(O)=O
MolClass #152149
UGVZFJQOHVQGET-UHFFFAOYSA-O
- CC1=CNC(=O)NC1=O
MolClass #152150
RWQNBRDOKXIBIV-UHFFFAOYSA-N
- Oc1c(Cl)cc(cc1Cl)C#N
MolClass #152151
YRSSHOVRSMQULE-UHFFFAOYSA-N
- CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2c2ccccc12)C(O)=O
MolClass #152152
OTKXCALUHMPIGM-UHFFFAOYSA-N
- OC(=O)CSc1ccncc1
MolClass #152153
PGUPJAPHYIEKLT-UHFFFAOYSA-N
- Cc1ccc(cc1N)C(N)=O
MolClass #152154
VYBKAZXQKUFAHG-UHFFFAOYSA-N
- [ClH-].[ClH-].O.[Sn+2]
MolClass #152155
GRNRDAQGHLOYFF-UHFFFAOYSA-N
- [ClH-].[ClH-].[ClH-].[Gd+3]
MolClass #152156
UMIMFSYTPQHMLC-UHFFFAOYSA-N
- CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1
MolClass #152157
PMHURSZHKKJGBM-UHFFFAOYSA-N
- Clc1ccc(OCC(=O)NN=CC2CCC=CC2)c(Cl)c1
MolClass #152158
QJXDFDPTTWKSHT-UHFFFAOYSA-N
- Cc1occc1C(=O)NN=Cc1ccc2OCOc2c1
MolClass #152159
FYKOPHGQFPBGGR-UHFFFAOYSA-N
- OC(=O)c1ccccc1Br
MolClass #152160
XRXMNWGCKISMOH-UHFFFAOYSA-N
- O.O.Oc1cc(O)c2C(=O)C(O)=C(Oc2c1)c1ccc(O)c(O)c1
MolClass #152161
GMGIWEZSKCNYSW-UHFFFAOYSA-N
- CC(C)C1(C)N=C(NC1=O)c1ncccc1C(O)=O
MolClass #152162
CLQMBPJKHLGMQK-UHFFFAOYSA-N
- COC(=O)C1C(c2cc(Br)c(O)c(OC)c2)C2C(=O)CC(CC=2NC=1C)c1ccccc1
MolClass #152163
NDBXXDZBQSWCQS-UHFFFAOYSA-N
- Cc1ccccc1C(=O)C1=COc2ccc(Cl)cc2C1=O
MolClass #152164
LCKHHJAALWYVEH-UHFFFAOYSA-N
- CN1C(N)=CC(=O)NC1=O
MolClass #152165
GZLZRPNUDBIQBM-UHFFFAOYSA-N
- [La+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O
MolClass #152166
FYDKNKUEBJQCCN-UHFFFAOYSA-N
- [Cd+2].[O-]C(C)=O.[O-]C(C)=O
MolClass #152167
LHQLJMJLROMYRN-UHFFFAOYSA-L
- [Mn+2].[O-]S([O-])(=O)=O
MolClass #152168
SQQMAOCOWKFBNP-UHFFFAOYSA-L
- CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolClass #152169
IXVMHGVQKLDRKH-UHFFFAOYSA-N
- CC(C)Nc1c(Cl)c(=O)c2ccccc2c1=O
MolClass #152170
ZOFLWMCFCUMANX-UHFFFAOYSA-N
- OC(=O)c1ccccc1F
MolClass #152171
NSTREUWFTAOOKS-UHFFFAOYSA-N
- [Na+].[O-]P1(=O)OC2C(COC(=O)CCC)OC(C2O1)n1cnc2c(NC(=O)CCC)ncnc12
MolClass #152172
BTRTVLHHULOPFJ-UHFFFAOYSA-M
- COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.OS(O)(=O)=O
MolClass #152173
AKYHKWQPZHDOBW-UHFFFAOYSA-N
- Cc1scc(n1)c1cccc(NC(=O)c2ccccc2)c1
MolClass #152174
KIWMNASGALOMRA-UHFFFAOYSA-N
- CC1NC2CCCC(=O)C=2C(c2ccc(C)cc2)C=1C(=O)OCc1ccccc1
MolClass #152175
KUMBOZOVAHYAQG-UHFFFAOYSA-N
- COc1cc2N=C(OC(=O)c2cc1OC)C=Cc1ccccc1
MolClass #152176
CJDACBDXLVDVAJ-UHFFFAOYSA-N
- Clc1cccc(c1)C1OC(=O)c2ccccc2N=1
MolClass #152177
NJISSPNMTCZNHF-UHFFFAOYSA-N
- COc1ccc(cc1NCc1ccccn1)c1ccccc1
MolClass #152178
JCYBYVPQCYRLBL-UHFFFAOYSA-N
- COc1cccc(C=NNC(=O)COc2ccc(C)cc2)c1
MolClass #152179
PLGYXVWQYZFSJN-UHFFFAOYSA-N
- Cc1ccccc1OCC(=O)NN=Cc1ccc(F)cc1
MolClass #152180
LPZIUFXBPFDEDW-UHFFFAOYSA-N
- CSc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)c1
MolClass #152181
HDAVRIRKAWSLED-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(OC)c(NCc2ccccc2)c1
MolClass #152182
BZXDCXXOWVIDMW-UHFFFAOYSA-N
- Cc1ccccc1C=NNC(=O)COc1ccc(Cl)cc1
MolClass #152183
OSLHHVRVXTYPKG-UHFFFAOYSA-N
- Cc1ccccc1NCC(=O)NN=Cc1ccc2ccccc2c1
MolClass #152184
YJCYRXDHHNTWHX-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(nc1)N(C)CCc1ccccc1
MolClass #152185
QIGLMVKSHACNLK-UHFFFAOYSA-N
- CCNc1c(ccc2c(=O)c3ccccc3c(=O)c12)C(O)=O
MolClass #152186
YDFHMUWZGLTUIG-UHFFFAOYSA-N
- COc1ccc(cc1)C1NC(=O)NC(C)=C1C(=O)OCCc1ccccc1
MolClass #152187
XKLDTARQLBQCAS-UHFFFAOYSA-N
- COc1ccc(CNc2ccc(F)c(Cl)c2)cc1OC
MolClass #152188
SWORHJLUCJUFIT-UHFFFAOYSA-N
- Cc1ccccc1OCC(=O)NN=Cc1ccncc1
MolClass #152189
RJPUCKRJCKBYIH-UHFFFAOYSA-N
- CC(=NNS(C)(=O)=O)c1ccc(Br)cc1
MolClass #152190
PARKLVSWRQRZNR-UHFFFAOYSA-N
- Brc1ccccc1CN(C(=O)c1occc1)c1ccccc1Br
MolClass #152191
RIXVVDJKFRDXRV-UHFFFAOYSA-N
- COc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1
MolClass #152192
BRUPFIAANJWNTN-UHFFFAOYSA-N
- O=C(NN1C(=S)SC(=Cc2occc2)C1=O)c1ccccc1
MolClass #152193
YPTDOAKXDBVJJN-UHFFFAOYSA-N
- [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
MolClass #152194
FAHVHGSTKKCAGY-UHFFFAOYSA-N
- CCOC(=O)C1C(NC(=S)N(C)C=1C)c1ccccc1
MolClass #152195
KPURGESNELLKCK-UHFFFAOYSA-N
- CC1NC2CC(C)(C)CC(=O)C=2C(c2cccc(F)c2)C=1C(=O)OCc1ccccc1
MolClass #152196
FWBGZDWZQFRPSB-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(O)c(CNc2ccc(F)c(Cl)c2)c1
MolClass #152197
RPEIWPXKGUCCPK-UHFFFAOYSA-N
- COc1ccc(cc1Cl)c1oc(cc1)C=NNC(=O)COc1cccc(C)c1
MolClass #152198
AFCQQYDQPSXULM-UHFFFAOYSA-N
- Cc1cccc(OCC(=O)NN=Cc2sccc2)c1
MolClass #152199
FGJNABOIDICZSS-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1C)C(=O)N1CCCc2ccccc12
MolClass #152200
LJUJCTOPMHMICB-UHFFFAOYSA-N
- OC1=Nc2ccccc2C1=NNC(=O)Nc1ccccc1
MolClass #152201
BEVYVYDVXAXNFJ-UHFFFAOYSA-N
- COc1ccc(Br)c(C=NNC(=O)COc2cccc(Cl)c2)c1
MolClass #152202
MIORJIZZJGLIBR-UHFFFAOYSA-N
- Clc1ccc(OCC(=O)NN=Cc2sccc2)cc1
MolClass #152203
URUMMBAFZRMRAI-UHFFFAOYSA-N
- Cc1ccc(O)c(C=NNC(=O)COc2ccc(Cl)cc2Br)c1
MolClass #152204
UKCPZOUQYUFABP-UHFFFAOYSA-N
- CCc1ccc(O)c(c1)N=Cc1cc(I)cc(I)c1O
MolClass #152205
AQOVQGAAZQDQAR-UHFFFAOYSA-N
- Clc1c(=O)c2ccccc2c(=O)c1NCc1ccccc1
MolClass #152206
XKNFBQCDFMZPPY-UHFFFAOYSA-N
- O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccncc1
MolClass #152207
NEDUWEMEHLKZIP-UHFFFAOYSA-N
- Cc1oc(cc1)C=NNC(=O)COc1ccc(C)c(C)c1
MolClass #152208
YIQCVMHNHRCXJC-UHFFFAOYSA-N
- COc1ccc(CNc2ccc(Br)cc2)c(OC)c1OC
MolClass #152209
UIJNUGZWWNYYAO-UHFFFAOYSA-N
- COc1ccccc1CCNCc1cccc(C)c1
MolClass #152210
YTXNAWXCOFWDRS-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(OC)cc2)c(Br)c1
MolClass #152211
MCVWFHAQQCCHPT-UHFFFAOYSA-N
- Nc1c(Cl)cc(cc1Cl)N=Cc1cccc(O)c1
MolClass #152212
KKZFCHRUBYAYDI-UHFFFAOYSA-N
- NNc1nnc(c2ccccc2)c(n1)c1ccccc1
MolClass #152213
CBWZPMAODJSGAT-UHFFFAOYSA-N
- Clc1ccc(cc1)C=NNC(=O)c1occc1
MolClass #152214
JDOAVVHTJZOKLO-UHFFFAOYSA-N
- COC(=O)C1C(c2ccccc2I)C2C(=O)CC(CC=2NC=1C)c1ccccc1
MolClass #152215
BATJAPDJCRSEHB-UHFFFAOYSA-N
- Cc1ccsc1C=Nc1ccc(Br)cc1C(O)=O
MolClass #152216
RXWZNOZQDLQTNH-UHFFFAOYSA-N
- Nc1sc(CCCOc2ccc(Cl)cc2Cl)nn1
MolClass #152217
ODMGWWWSTZRHDN-UHFFFAOYSA-N
- CC(NC(=O)COc1ccc(Br)cc1)C(O)=O
MolClass #152218
MAJFQXLXQDSVCT-UHFFFAOYSA-N
- [O-][N+](=O)c1oc(cc1)C=NNC(=O)Cc1cccc2ccccc12
MolClass #152219
VMWLVFSXLIBHCC-UHFFFAOYSA-N
- Clc1ccc(OCC(=O)Nc2cccnc2)cc1
MolClass #152220
OZJHZKCVDFOSNG-UHFFFAOYSA-N
- Brc1cccc(C=NNc2ccccn2)c1
MolClass #152221
FCVZTOJSYXVMTK-UHFFFAOYSA-N
- Cc1ccccc1OCC(=O)NN=Cc1sccc1
MolClass #152222
VKMATNPOIVEASF-UHFFFAOYSA-N
- [O-][N+](=O)c1oc(cc1)C=NNC(=O)Cc1ccc(Cl)cc1
MolClass #152223
CALXTMTXZNDZHA-UHFFFAOYSA-N
- COc1cc(ccc1O)C=Nc1cc(Cl)ccc1O
MolClass #152224
BQEUCNCURAGVOR-UHFFFAOYSA-N
- CSc1ccc(cc1)C=NNC(=O)COc1ccc(Cl)cc1Br
MolClass #152225
JONNGVVALREZFR-UHFFFAOYSA-N
- CCCCCOc1ccc(cc1)C=Nc1ccccc1O
MolClass #152226
XLBOTNIBBVGETK-UHFFFAOYSA-N
- O=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CC1
MolClass #152227
XFAVBVSUCLNMRV-UHFFFAOYSA-N
- Brc1ccccc1NC(=O)CSc1sc2ccccc2n1
MolClass #152228
HBKPXJMIDFBPKR-UHFFFAOYSA-N
- Cc1cc(Cl)ccc1OCC(=O)NCCCc1ccccc1
MolClass #152229
REEJQVHCFLDPAS-UHFFFAOYSA-N
- CCOC(=O)c1c(C)c(sc1N)C(=O)Nc1ccccc1
MolClass #152230
QQDPRGVPYOPPBA-UHFFFAOYSA-N
- BrC(C=NNC(=O)c1cccnc1)=Cc1ccccc1
MolClass #152231
TVSMUAJOTDYHDE-UHFFFAOYSA-N
- OC(=O)c1cc(ccc1O)N=Cc1ccc(cc1)C#Cc1ccccc1
MolClass #152232
CIWKCBTXRAYCKM-UHFFFAOYSA-N
- CSc1ccc(cc1)C=NNC(=O)COc1ccc(Cl)cc1Cl
MolClass #152233
ZBNYNBUSRJNFKS-UHFFFAOYSA-N
- Cc1ccc2C(=O)C(=COc2c1)C(=O)c1ccccc1Cl
MolClass #152234
BQNPTQYYUHKFLX-UHFFFAOYSA-N
- Clc1ccc(cc1)c1oc(cc1)C=Nc1ccc(cc1)N1CCOCC1
MolClass #152235
IIOVXUQMCPZOPX-UHFFFAOYSA-N
- COc1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1occc1
MolClass #152236
RXXOBXGBUNZNHA-UHFFFAOYSA-N
- COC(C(=O)NN=Cc1ccc(Cl)cc1Cl)c1ccccc1
MolClass #152237
NJOOSLRAUXHZCH-UHFFFAOYSA-N
- CC1=CC(C)(C)NC(=S)N1c1cccc(c1)C(=O)C=Cc1ccccc1
MolClass #152238
PKQOAMIYGFQKBG-UHFFFAOYSA-N