Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- O[Bi]1OC(=O)c2ccccc2O1
MolClass #156139
ZREIPSZUJIFJNP-UHFFFAOYSA-K
- OC(=O)c1ccc(NC(=O)c2ccccc2)cc1O
MolClass #156140
GNZCRYWFWKFIDM-UHFFFAOYSA-N
- COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(O)=O
MolClass #156141
MPTXLVRHYGBOQY-UHFFFAOYSA-N
- FC(F)(F)COCC(F)(F)F
MolClass #156142
KGPPDNUWZNWPSI-UHFFFAOYSA-N
- O.OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO
MolClass #156143
LXMBXZRLTPSWCR-UHFFFAOYSA-N
- CCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C(=O)CO
MolClass #156144
FZCHYNWYXKICIO-UHFFFAOYSA-N
- [ClH-].O.CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C
MolClass #156145
CRTDMYDMMFLATM-UHFFFAOYSA-N
- CC(C)CCCC(C)N
MolClass #156146
QNIVIMYXGGFTAK-UHFFFAOYSA-N
- CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
MolClass #156147
UTVCPAPWORAKEV-UHFFFAOYSA-N
- [ClH-].Cl.Cc1nc(N)cc(C[n+]2csc(CCO)c2C)n1
MolClass #156148
VKTULTGGWPKUOT-UHFFFAOYSA-N
- [Zn+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
MolClass #156149
RFADUCJYGLUMQV-UHFFFAOYSA-L
- OC(=O)CCCCCCCCC=C
MolClass #156150
FRPZMMHWLSIFAZ-UHFFFAOYSA-N
- Cl.CCCCCCCCCCCCCCCC(=O)OC1C(O)C(O)C(OC1SC)C(NC(=O)C1CC(CCC)CN1C)C(C)Cl
MolClass #156151
GTNDZRUWKHDICY-UHFFFAOYSA-N
- [Na+].[O-]S(=O)(=O)Cn1nnnc1SCC1CSC2C(NC(=O)C(O)c3ccccc3)C(=O)N2C=1C(O)=O
MolClass #156152
WZTUULPOBSTZKR-UHFFFAOYSA-M
- CCNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O.OS(O)(=O)=O.OS(O)(=O)=O
MolClass #156153
LOKMIGZKRZJVNT-UHFFFAOYSA-N
- CC(C)CCCC(C)CCCC(C)CCCC(C)=CCc1c(C)c(=O)c2ccccc2c1=O
MolClass #156154
MBWXNTAXLNYFJB-UHFFFAOYSA-N
- OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1
MolClass #156155
YSXKPIUOCJLQIE-UHFFFAOYSA-N
- CCC12CCC3C(CCC4=CC(CCC34)=NO)C1CCC2(OC(C)=O)C#C
MolClass #156156
KIQQMECNKUGGKA-UHFFFAOYSA-N
- Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
MolClass #156157
QXHHHPZILQDDPS-UHFFFAOYSA-N
- Cl.Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl
MolClass #156158
TVWRQCIPWUCNMI-UHFFFAOYSA-N
- CNC(NCCSCc1scc(N=C(N)N)n1)=NC#N
MolClass #156159
ALWAVUXVWSNCDN-UHFFFAOYSA-N
- COCC1CSC2C(NC(=O)C(=NOC)c3csc(N)n3)C(=O)N2C=1C(=O)OC(C)OC(=O)OC(C)C
MolClass #156160
LTINZAODLRIQIX-UHFFFAOYSA-N
- CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C.OS(O)(=O)=O
MolClass #156161
GEKOQGPXZRQQHJ-UHFFFAOYSA-N
- CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1.s1ccnc1
MolClass #156162
LEKUGDFPKWMNSH-UHFFFAOYSA-N
- Cl.Cl.NCCNCCNCCN
MolClass #156163
WYHIICXRPHEJKI-UHFFFAOYSA-N
- [Na+].[Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)C(C([O-])=O)c1sccc1)C2=O
MolClass #156164
JHEIXNWVYNQSRN-UHFFFAOYSA-L
- CN1C(=O)NC(=O)N(C1=O)c1ccc(Oc2ccc(SC(F)(F)F)cc2)c(C)c1
MolClass #156165
OCINXEZVIIVXFU-UHFFFAOYSA-N
- CN(C)CCOc1ccc(cc1)C(=C(CCCl)c1ccccc1)c1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)=O
MolClass #156166
IWEQQRMGNVVKQW-UHFFFAOYSA-N
- OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
MolClass #156167
MDLAAYDRRZXJIF-UHFFFAOYSA-N
- CC12C=CC3C(CCC4=CC(=O)CCC4=3)C1CCC2(O)CC=C
MolClass #156168
VWAUPFMBXBWEQY-UHFFFAOYSA-N
- CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.OC(=O)C=CC(O)=O
MolClass #156169
RZPZLFIUFMNCLY-UHFFFAOYSA-N
- Nc1nc(F)nc2n(cnc12)C1OC(COP(O)(O)=O)C(O)C1O
MolClass #156170
GIUYCYHIANZCFB-UHFFFAOYSA-N
- CC(O)C(C)C1OC1CC1COC(CC(C)=CC(=O)OCCCCCCCCC(O)=O)C(O)C1O
MolClass #156171
MINDHVHHQZYEEK-UHFFFAOYSA-N
- CCCCCC=CCCC(=O)NC1C(O)C(O)C(CO)OC1Oc1c2Oc3ccc(CC4NC(=O)C(N)c5ccc(O)c(Oc6cc(O)cc(c6)C(NC4=O)C(=O)NC4C(=O)NC6C(=O)NC(C(OC7OC(CO)C(O)C(O)C7NC(C)=O)c7ccc(Oc1cc4c2)c(Cl)c7)C(=O)NC(C(O)=O)c1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1c1cc6ccc1O)c5)cc3Cl
MolClass #156172
YMWQIYMUNZBOOV-UHFFFAOYSA-N
- [BrH-].CC(=O)OC1CC2CCC3C(CCC4(C)C3CC(C4OC(C)=O)[N+]3(C)CCCCC3)C2(C)CC1N1CCCCC1
MolClass #156173
GJMQYGMCPJYRFX-UHFFFAOYSA-N
- Cl.COCCCOc1cc(CC(CC(N)C(O)CC(C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC
MolClass #156174
BSJUIBZAXCXFMZ-UHFFFAOYSA-N
- [Ca+2].[O-]S(=O)(=O)CCCNC(C)=O.[O-]S(=O)(=O)CCCNC(C)=O
MolClass #156175
BUVGWDNTAWHSKI-UHFFFAOYSA-L
- [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
MolClass #156176
VJZLQIPZNBPASX-UHFFFAOYSA-L
- CC(=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC21C)OC(=O)CCC(O)=O
MolClass #156177
OZZAYJQNMKMUSD-UHFFFAOYSA-N
- Br.NC(=O)C(C1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
MolClass #156178
UQAVIASOPREUIT-UHFFFAOYSA-N
- CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO
MolClass #156179
VWVSBHGCDBMOOT-UHFFFAOYSA-N
- CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO
MolClass #156180
WBGKWQHBNHJJPZ-UHFFFAOYSA-N
- CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1
MolClass #156181
SNWQKAWITMVCQW-UHFFFAOYSA-N
- CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1
MolClass #156182
KJADKKWYZYXHBB-UHFFFAOYSA-N
- CON=C1CN(CC1CN)c1nc2N(C=C(C(O)=O)C(=O)c2cc1F)C1CC1.CS(O)(=O)=O
MolClass #156183
JIYMVSQRGZEYAX-UHFFFAOYSA-N
- [Na+].[O-]C(=O)CC(O)CC(O)CCC1C(C)C=CC2=CC(O)CC(OC(=O)C(C)CC)C12
MolClass #156184
VWBQYTRBTXKKOG-UHFFFAOYSA-M
- NCC1CCCCC1CC(O)=O
MolClass #156185
VMTBKRPFIUIKPK-UHFFFAOYSA-N
- CCCCCCCCCCCCCc1occc1
MolClass #156186
LFPGJDSJDXWCIJ-UHFFFAOYSA-N
- C=CCCCCCCCCCCCc1occc1
MolClass #156187
KNKVJBRMGKXDGO-UHFFFAOYSA-N
- C#CCCCCCCCCCCCc1occc1
MolClass #156188
ONYOTXAYIZRIPJ-UHFFFAOYSA-N
- CC12CCC3C(O)(C1)OC(O2)C3(COC(=O)c1ccccc1)OC1OC(CO)C(O)C(O)C1O
MolClass #156189
DBUHUWAIMGXDHQ-UHFFFAOYSA-N
- Cl.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
MolClass #156190
OWNWYCOLFIFTLK-UHFFFAOYSA-N
- CC1COc2c3ccc4c(CCCC4(C)C)c3c(=O)c(=O)c12
MolClass #156191
GVKKJJOMQCNPGB-UHFFFAOYSA-N
- CC(C)CC(CN)CC(O)=O
MolClass #156192
AYXYPKUFHZROOJ-UHFFFAOYSA-N
- CCC(=O)NCCC1CCc2ccc3OCCc3c12
MolClass #156193
YLXDSYKOBKBWJQ-UHFFFAOYSA-N
- Cl.CCc1c2CN3C(=O)C4COC(=O)C(O)(CC)C=4C=C3c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc21
MolClass #156194
GURKHSYORGJETM-UHFFFAOYSA-N
- NC(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
MolClass #156195
MFFMDFFZMYYVKS-UHFFFAOYSA-N
- COc1cc(O)c(C)c(O)c1
MolClass #156196
YPIDZFLQKNEKRA-UHFFFAOYSA-N
- COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1
MolClass #156197
ALGDHWVALRSLBT-UHFFFAOYSA-N
- COc1ccc(C2CC(=O)c3ccc(OC)cc3O2)cc1
MolClass #156198
YAEYGSBLDUIDTP-UHFFFAOYSA-N
- O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12
MolClass #156199
KNJNBKINYHZUGC-UHFFFAOYSA-N
- Cc1cc(O)cc(=O)o1
MolClass #156200
NSYSSMYQPLSPOD-UHFFFAOYSA-N
- COc1c2C=CC(C)(C)Oc2ccc1C1=COc2cc3OC(C)(C)C(Cc3cc2C1=O)OC(C)=O
MolClass #156201
QUQMZWZRFQKNFP-UHFFFAOYSA-N
- CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C
MolClass #156202
MULICLCRGFYQJF-UHFFFAOYSA-N
- CC1CCC(C(C)C)C(OC(=O)c2ccccc2)C1
MolClass #156203
TTYVYRHNIVBWCB-UHFFFAOYSA-N
- CC1CCC(CC2C(C)CCC1=2)C(C)(C)O
MolClass #156204
TWVJWDMOZJXUID-UHFFFAOYSA-N
- CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #156205
KBDSLGBFQAGHBE-UHFFFAOYSA-N
- CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC21C
MolClass #156206
AHWOEMBXZXGDBQ-UHFFFAOYSA-N
- CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
MolClass #156207
YKOPWPOFWMYZJZ-UHFFFAOYSA-N
- C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+]
MolClass #156208
LYZGJWXNOGIVQA-UHFFFAOYSA-M
- CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+]
MolClass #156209
AWLILQARPMWUHA-UHFFFAOYSA-M
- OC1CC2CCCC(C1)N2Cc1ccccc1
MolClass #156210
DNAGSRDCXSVFLX-UHFFFAOYSA-N
- O=C(NCO)c1cccnc1
MolClass #156211
JRFKIOFLCXKVOT-UHFFFAOYSA-N
- CC(C(O)c1ccccc1)N(C)C
MolClass #156212
FMCGSUUBYTWNDP-UHFFFAOYSA-N
- O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O
MolClass #156213
UGQMRVRMYYASKQ-UHFFFAOYSA-N
- COC(=O)C(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(OC)c6c(c(CC=C(C)C)c5OC431)OC(C)(CCC=C(C)C)C=C6)C2=O
MolClass #156214
LFSCNWNADRUBLS-UHFFFAOYSA-N
- COC(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O
MolClass #156215
RAFGELQLHMBRHD-UHFFFAOYSA-N
- CCC(C)C(=O)OC1CC2(C)C(OC(=O)CC32OC2(C)OC41C1(C)C(C(=O)OC)C5(C)CC1(O)C(O)(C5OC(=O)C1(C)OC1C)C(OC(=O)C(C)C)C34O2)c1cocc1
MolClass #156216
JDPHEZZMNIIHCI-UHFFFAOYSA-N
- COC1C(OC(=O)C(C)C)C2(C)C(OC(=O)C(C2C23OC4(C)OC56CC(C)(C(CC(=O)OC)C5(C)C12O4)C(OC(C)=O)C6(OC)C3OC)=C(O)C(C)C)c1cocc1
MolClass #156217
DJVRMZGFFCPRHO-UHFFFAOYSA-N
- CC(=O)OC1CC(O)C(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC543)c3cocc3)C12C
MolClass #156218
QORQSLLNRSDOHT-UHFFFAOYSA-N
- CC(=O)OC1CC(OC(C)=O)C2(C)C3CCC4(C)C(CC5OC54C3(C)C(CC2C1(C)C)OC(C)=O)c1cocc1
MolClass #156219
NZLGSHIHKTYCHX-UHFFFAOYSA-N
- CCC(C)C(OC(C)=O)C(=O)OC1C(O)C2C3(C)C=CC(=O)C(C)(C)C3CC(OC(=O)C(O)C(C)C)C2(C)C23OC2CC(c2cocc2)C13C
MolClass #156220
BYWKXGOBXNXUER-UHFFFAOYSA-N
- CC1(C)OC(=O)C=CC2(C)C3CCC4(C)C(OC(=O)C5OC54C3(C)C(O)CC12)c1cocc1
MolClass #156221
ADZYDUJXHKLXCN-UHFFFAOYSA-N
- COC(=O)C(O)C1C(C)(C)C(OC(=O)C(C)=CC)C2C=C3C(CCC4(C)C3CC(=O)OC4c3cocc3)C1(C)C2=O
MolClass #156222
MMUSWMCGLGFCKL-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(OC(C)=O)C2(O)C=C3C(CCC4(C)C3CC(=O)OC4c3cocc3)C1(C)C2=O
MolClass #156223
ODHSWYNEXJIJEI-UHFFFAOYSA-N
- COC(=O)C(O)C1C(C)(C)C(OC(C)=O)C2CC3C(CCC4(C)C(OC(=O)CC=34)c3cocc3)C1(C)C2=O
MolClass #156224
LUDUHKJIKKLONS-UHFFFAOYSA-N
- CC1(C)C2CC(O)C3C(CCC4(C)C(CC5OC534)c3cocc3)C2(C)C=CC1=O
MolClass #156225
KYAONONRIXUXQW-UHFFFAOYSA-N
- CC1(C)C(O)CC(O)C2(C)C3CCC4(C)C(CC5OC54C3(C)C(O)CC12)c1cocc1
MolClass #156226
BKVDVQYVPMCYQR-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(=O)C2CC3=C(CCC4(C)C(OC(=O)C=C34)c3cocc3)C1(C)C2=O
MolClass #156227
XLRKFSDSKCYZBE-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C2(Cl)OC34CC2C(=O)C1(C)C3CCC1(C)C(OC(=O)C=C14)c1cocc1
MolClass #156228
FVXYCYOANPHZHB-UHFFFAOYSA-N
- CC1(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C=C43)c3cocc3)C2(C)C=CC1=O
MolClass #156229
SRWHWJLUDSYHLO-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(=O)C2CC3(O)C(CCC4(C)C(OC(=O)C=C43)c3cocc3)C1(C)C2=O
MolClass #156230
LBCMMCVJWBRFPN-UHFFFAOYSA-N
- COC1CC2=C3CC4C(=O)C(C)(C)C(CC(=O)OC)C(C)(C3CCC2(C)C(O1)c1cocc1)C4=O
MolClass #156231
CCIZHVYHJSDEGH-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)CCCC2(C)C2CCC3(C)C(OC(=O)C4OC43C12C)c1cocc1
MolClass #156232
FCGOFPZANXAZSX-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)CCCC2(C)C2CCC3(C)C(OC(=O)C=C3C12C)c1cocc1
MolClass #156233
KHARQKXCINHICJ-UHFFFAOYSA-N
- OC1C=C2CCN3Cc4cc5OCOc5cc4C(C1O)C32
MolClass #156234
XGVJWXAYKUHDOO-UHFFFAOYSA-N
- CC(C)c1c(O)ccc2c1CCC1C(C)(CO)CCCC12C
MolClass #156235
NFEAIVZJRVEKFD-UHFFFAOYSA-N
- CC1COC2(OC3CC4C5CCC6CC(CCC6(C)C5=CC(=O)C4(C)C3C2C)OC(C)=O)C(Br)C1
MolClass #156236
UZOSLJNYISOLSY-UHFFFAOYSA-N
- CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4=CCC3(C)C1C2C
MolClass #156237
QCVKYDNFSXDPSW-UHFFFAOYSA-N
- COC(=O)CCC(=O)OC1CCC2(C)C(CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)C(O)C(=O)C32)C1
MolClass #156238
BCYMEDQAEFBAKK-UHFFFAOYSA-N