Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- O.[Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl)C2=O
MolClass #155439
SIGZQNJITOWQEF-UHFFFAOYSA-M
- CC1CSC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C=1C(O)=O
MolClass #155440
BOEGTKLJZSQCCD-UHFFFAOYSA-N
- [ClH-].C[N+]1CCc2cc3OCOc3cc2C=1
MolClass #155441
OEYUYNNOMKPNIA-UHFFFAOYSA-N
- CCCCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O
MolClass #155442
UIFFUZWRFRDZJC-UHFFFAOYSA-N
- CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O
MolClass #155443
WLOHNSSYAXHWNR-UHFFFAOYSA-N
- CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)c1occc1)C(=O)CCl
MolClass #155444
WOFMFGQZHJDGCX-UHFFFAOYSA-N
- Cl.Cc1ncc(CO)c(CO)c1O
MolClass #155445
ZUFQODAHGAHPFQ-UHFFFAOYSA-N
- CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1.OS(O)(=O)=O
MolClass #155446
DNKCFBJMFIUNRS-UHFFFAOYSA-N
- CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12)C(O)=O
MolClass #155447
QGJZLNKBHJESQX-UHFFFAOYSA-N
- O.CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1.CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1.OS(O)(=O)=O
MolClass #155448
JPKKQJKQTPNWTR-UHFFFAOYSA-N
- O.Oc1c(O)c(=O)c(O)c(O)c1=O
MolClass #155449
CJFTUKFVMMYYHH-UHFFFAOYSA-N
- Cl.CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
MolClass #155450
MSIJLVMSKDXAQN-UHFFFAOYSA-N
- Cl.CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
MolClass #155451
LPRLDRXGWKXRMQ-UHFFFAOYSA-N
- [Na+].[O-]C(=O)Cc1cc(C)c(n1C)C(=O)c1ccc(Cl)cc1
MolClass #155452
SEEXPXUCHVGZGU-UHFFFAOYSA-M
- [Na+].[O-]C(=O)C(C)C(OC)C(C)C1OC2(CCC(C)(O2)C2CCC(CC)(O2)C2OC(CC2C)C2OC(O)(CO)C(C)CC2C)CC(O)C1C
MolClass #155453
XOIQMTLWECTKJL-UHFFFAOYSA-M
- [Na+].[O-]S(=O)(=O)CN(C)C1=C(C)N(C)N(C1=O)c1ccccc1
MolClass #155454
DJGAAPFSPWAYTJ-UHFFFAOYSA-M
- CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(O)(=O)=O
MolClass #155455
IDDIJAWJANBQLJ-UHFFFAOYSA-N
- CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C
MolClass #155456
KUVIULQEHSCUHY-UHFFFAOYSA-N
- [ClH-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
MolClass #155457
PXBZMMQCULBHOH-UHFFFAOYSA-N
- [Na+].[Na+].[O-]C(=O)C1Oc2cccc(OCC(O)COc3cccc4OC(=CC(=O)c34)C([O-])=O)c2C(=O)C=1
MolClass #155458
VLARUOGDXDTHEH-UHFFFAOYSA-L
- O.OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
MolClass #155459
OFUMQWOJBVNKLR-UHFFFAOYSA-N
- Cl.CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1
MolClass #155460
VEYWWAGBHABATA-UHFFFAOYSA-N
- CC(=O)OC1CC2(C)C(c3ccoc3)OC(=O)C3OC32C2(C)C(OC(C)=O)CC3C(C)(C)C(OC(C)=O)CC(OC(C)=O)C3(C)C12
MolClass #155461
RPPVTVIFAKGTDU-UHFFFAOYSA-N
- C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132
MolClass #155462
BFUCTROUWLSVBH-UHFFFAOYSA-N
- COC(=O)CC1C2(C)CC34OC5(C)OC6(C7C(=C(O)C(C)C)C(=O)OC(c8ccoc8)C7(C)C(OC(C)=O)C(OC(C)=O)C6(O5)C13C)C(OC(C)=O)C4(O)C2OC(=O)C(C)C
MolClass #155463
KVAGRMDUXLYLAZ-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(=O)C2CC3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
MolClass #155464
SWTDXMBCOHIACK-UHFFFAOYSA-N
- CC1(C)C(=O)C=CC2(C)C1=C(O)C(=O)C1(C)C2CCC2(C)C(c3ccoc3)CC3OC321
MolClass #155465
OQMUOVSEPOBWMK-UHFFFAOYSA-N
- CC1(C)C(=O)C=CC2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #155466
HCEYJYMNIQHPPK-UHFFFAOYSA-N
- CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(c5ccoc5)OC(=O)C5OC543)C12C
MolClass #155467
PDKGFQJSCXMICA-UHFFFAOYSA-N
- CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C
MolClass #155468
MRMHZWKIOFZZID-UHFFFAOYSA-N
- C=C1C2=CC(=O)OC(c3ccoc3)C2(C)CCC1C1(C)C=CC(=O)C(C)(C)C1CC(=O)OC
MolClass #155469
CUJHOPQCBJBWQL-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C
MolClass #155470
ROWFSYNHZPRCKO-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(OC(C)=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
MolClass #155471
YOTCKRFNSMJTGD-UHFFFAOYSA-N
- CC1(C)C(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #155472
PMISPNORJONCHB-UHFFFAOYSA-N
- CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C
MolClass #155473
IKFXPERBVFYFMS-UHFFFAOYSA-N
- CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)C(=O)C4OC423)C1(C)C
MolClass #155474
AKPJXLBXDLSOFY-UHFFFAOYSA-N
- CCC(C)C(=O)OC1C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C(C)(C2=O)C(CC(=O)OC)C1(C)C
MolClass #155475
OVTKCGJIOHGDAN-UHFFFAOYSA-N
- C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(CC(=O)OC)C12C
MolClass #155476
YNMYHRYTRCKSMI-UHFFFAOYSA-N
- C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(OC(C)=O)C(=O)OC)C12C
MolClass #155477
QSQFOIMEVMOMIJ-UHFFFAOYSA-N
- C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(O)C(=O)OC)C12C
MolClass #155478
GOYZKWCPWBKPIG-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
MolClass #155479
DNFJSIPZGYBGON-UHFFFAOYSA-N
- COC(=O)CC1C(C)(CC2OCC34C(CC(=O)OC)C5(C)CC63OC3(C)OC1(C(OC(C)=O)C6(OC(C)=O)C5OC(=O)C(C)C)C24O3)C(=O)c1cocc1
MolClass #155480
RLEGPSABDUUZFS-UHFFFAOYSA-N
- CCC(C)C(=O)OC1CC2(C)C(c3ccoc3)OC(=O)CC23OC2(C)OC34C(OC(C)=O)C3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)C(C)(C5CC(=O)OC)C14O2
MolClass #155481
HPSILLNWMJOWNM-UHFFFAOYSA-N
- CC(CC(O)C1OC1(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
MolClass #155482
GKQMMZUXYRXFOH-UHFFFAOYSA-N
- CC(C1OC(C)(C)C(O)C1O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
MolClass #155483
QVEUBDDZMCFHNJ-UHFFFAOYSA-N
- C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C
MolClass #155484
QFRUZVNPYYYLAN-UHFFFAOYSA-N
- CCC(=O)OC1C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C(C)(C2=O)C(CC(=O)OC)C1(C)C
MolClass #155485
SXDJQLIGPRXBTP-UHFFFAOYSA-N
- COC(=O)CC1C2(C)C(=O)C3CC4(OC3(O)C1(C)C)C1=CC(=O)OC(c3ccoc3)C1(C)CCC42
MolClass #155486
URGZBBCARSDFSL-UHFFFAOYSA-N
- CC(C)C(O)=C1C(=O)OC(c2ccoc2)C2(C)C(O)C(O)C34OC5(C)OC3(C12)C(O)C1(O)C(O)C2(C)CC1(O5)C4(C)C2CC(=O)O
MolClass #155487
FLRUCNJMPLRHQE-UHFFFAOYSA-N
- CC1(C)C(=O)C2CC3(O)C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C(C)(C2=O)C1CC(=O)O
MolClass #155488
UKTUQKGXNWDYAI-UHFFFAOYSA-N
- CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C4=CC(=O)OC(c5ccoc5)C4(C)CCC32)C1(C)C
MolClass #155489
SUQFMFHTLHMZNM-UHFFFAOYSA-N
- CC1(C)C(=O)C=CC2(C)C1C=CC1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC312
MolClass #155490
ZXHLDNILIVGKPC-UHFFFAOYSA-N
- CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C
MolClass #155491
ODLCLZLDYDHRGT-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)C(=O)C3OC3C2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C
MolClass #155492
AZGNIKZHFDJEPU-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)C(O)C=CC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C
MolClass #155493
YIEIZLQDUWWSED-UHFFFAOYSA-N
- CC12CCC3C(C)(OC(=O)CC4C(C)(C)C(O)C=CC34C)C1=CC(=O)OC2c1ccoc1
MolClass #155494
NCNXULVCMORARX-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)C=CC(=O)C2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C
MolClass #155495
IYBDWVUOOFQLSF-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(O)C2CC3=C4C=C(OC)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
MolClass #155496
WJHQHAFOOMOTBJ-UHFFFAOYSA-N
- CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #155497
UIUKQADPLSFRBN-UHFFFAOYSA-N
- COc1cccc2c1CCC1CC(=O)CCC21C
MolClass #155498
YWUOMZILANUHKZ-UHFFFAOYSA-N
- COc1ccc2c(c1)C1(C)CCC(=O)CC1CC2
MolClass #155499
MMDQZMROSQWSDC-UHFFFAOYSA-N
- CC(=O)Oc1ccc2c(c1C(C)C)CCC1C(C)(C)CCCC21C
MolClass #155500
ORVBSFQTFRBNRP-UHFFFAOYSA-N
- CC(C)c1c(O)ccc2c1CCC1C(C)(C=O)CCCC21C
MolClass #155501
QMRLEXVAVRHWSE-UHFFFAOYSA-N
- CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CCC2C(C)(C)CCCC32C)cc2c1CCC1C(C)(C)CCCC21C
MolClass #155502
RFUVOURUUJLQSB-UHFFFAOYSA-N
- CC(C)c1c(O)ccc2c1CCC1C(C)(C)CCCC21C
MolClass #155503
ZRVDANDJSTYELM-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)CCC(=O)C2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C
MolClass #155504
MMQONYKUNYFDEI-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1
MolClass #155505
LVRAKYNQYKVPIK-UHFFFAOYSA-N
- CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cl
MolClass #155506
SXXHVPYRDFJKPG-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1
MolClass #155507
CVKZWRTYHCDWTE-UHFFFAOYSA-N
- CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C
MolClass #155508
GMBQZIIUCVWOCD-UHFFFAOYSA-N
- CC12CCC(O)CC1CCc1ccccc12
MolClass #155509
MVNJNWNFUCRWBW-UHFFFAOYSA-N
- CC1(C)C(O)CC(O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #155510
BBSPXZBAZKHYLF-UHFFFAOYSA-N
- CC1(C)C(O)CC(=O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #155511
BSZLLSHGSWKZRE-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(O)C2CC3=C4CC(O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
MolClass #155512
CNSUXOYAIZBGRY-UHFFFAOYSA-N
- CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
MolClass #155513
JFSHUTJDVKUMTJ-UHFFFAOYSA-N
- CC1(C)C=CC(=O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #155514
VOKBOMKQXKLQSI-UHFFFAOYSA-N
- COC(=O)CC1C(C)(C)C(OC(C)=O)C2C(OC(C)=O)C34OC2(O)C1(C)C3CCC1(C)C4=CC(=O)OC1c1ccoc1
MolClass #155515
AOUYWWJPLUTFAB-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C
MolClass #155516
VOUDTVRGPAGHGA-UHFFFAOYSA-N
- CC1=C2C(O)C(=O)OC3CC4C(C)(C)C(=O)C=CC4(C)C(CC1)C23C
MolClass #155517
XQOSNJUURCKQGN-UHFFFAOYSA-N
- CC1(C)C(=O)CCC2(C)C1CC(O)C1(C)C3=CC(=O)OC(c4ccoc4)C3(C)CCC21
MolClass #155518
BQDRKSSNLHIYIM-UHFFFAOYSA-N
- COC(=O)C1OC(=O)C2OC23C1(C)CCC1C2(C)CCC(=O)C(C)(C)C2CC(OC(C)=O)C13C
MolClass #155519
CDTMPWYDQKWYFT-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C
MolClass #155520
LCTHKUJMKQOYDY-UHFFFAOYSA-N
- CCC(C)C(=O)OC1CC2(C)C(c3ccoc3)OC(=O)CC23OC2(C)OC34C(OC(=O)C(C)C)C3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)C(C)(C5CC(=O)OC)C14O2
MolClass #155521
BUVRFGBECZFCRL-UHFFFAOYSA-N
- O=C1CCC23C=CC(=O)NCCCCNCCCNC(=O)C=Cc4ccc(c2c4)OC3C1
MolClass #155522
YIWJEBPTHXRHQF-UHFFFAOYSA-N
- COC1C=CC23c4cc5c(cc4CN(CC2O)C3C1)OCO5
MolClass #155523
YGPRSGKVLATIHT-UHFFFAOYSA-N
- COc1c2c(cc3c1OCO3)C13C=CC(OC)CC1N(C2)CC3O
MolClass #155524
QAHZAHIPKNLGAS-UHFFFAOYSA-N
- C=C(C)C1COc2cc3oc(=O)ccc3cc2O1
MolClass #155525
DUECABXXAMFFBH-UHFFFAOYSA-N
- CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
MolClass #155526
MIJYXULNPSFWEK-UHFFFAOYSA-N
- CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C
MolClass #155527
OFMXGFHWLZPCFL-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C
MolClass #155528
UMRPOGLIBDXFNK-UHFFFAOYSA-N
- CC1(C)C(O)CC(=O)C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #155529
YDVKLIWOUGSPJK-UHFFFAOYSA-N
- COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1
MolClass #155530
SVQZFPSKTHNMRD-UHFFFAOYSA-N
- COC1C(O)C(OC2CCC3(C=O)C4C(OC(C)=O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC(C)=O
MolClass #155531
JJSVXWKQLGHFES-UHFFFAOYSA-N
- CC1(C)C(O)CC(O)C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
MolClass #155532
MGQUMSFBIYXTTE-UHFFFAOYSA-N
- OCC(O)Cc1ccc2c(c1)OCO2
MolClass #155533
FYDVPEVHFUBOJG-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)C(=O)CC32)C1
MolClass #155534
MPXJSJVWSXWSNI-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CCC=C(C)C)C1(C)CC3
MolClass #155535
BQPPJGMMIYJVBR-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)C(OC(C)=O)CC32O)C1
MolClass #155536
ANNNOIZFDGPVNC-UHFFFAOYSA-N
- [ClH-].COc1c2OCOc2cc2cc[n+](C)cc12
MolClass #155537
OOMKCVBLRBUGBU-UHFFFAOYSA-N
- Cc1ccc2c(c1)CCC1CC(=O)CCC21C
MolClass #155538
JZECOIINDLDHBV-UHFFFAOYSA-N