Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- CC1OC=CC(=O)C=1C=CO
MolClass #156439
AFMHCDNELHMGHI-UHFFFAOYSA-N
- Cl.CC(CN1c2ccccc2Sc2cccnc12)N(C)C
MolClass #156440
RQHCFTORMXCNGP-UHFFFAOYSA-N
- CCC1(O)C(=O)OCC2C(=O)N3Cc4cc5cc(O)ccc5nc4C3=CC=21
MolClass #156441
HAWSQZCWOQZXHI-UHFFFAOYSA-N
- COc1cccc(c1)C1Oc2ccc(OC)cc2C(=O)C=1
MolClass #156442
LLLIKVGWTVPYAL-UHFFFAOYSA-N
- CC1C2C(O)CC(C)=C3C(C2OC1=O)C(C)=CC3=O
MolClass #156443
YMUOZXZDDBRJEP-UHFFFAOYSA-N
- CC1CCC2C(C)C(=O)OC3OC(C)(O)CCC1C23O
MolClass #156444
FSCZEJLCYOILJG-UHFFFAOYSA-N
- OC1Cc2c(O)cc(O)c(C3C(O)C(Oc4c(C5C(O)C(Oc6cc(O)cc(O)c56)c5cc(O)c(O)c(O)c5)c(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1
MolClass #156445
NVTLDVSBUJGIAD-UHFFFAOYSA-N
- Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1
MolClass #156446
URFCJEUYXNAHFI-UHFFFAOYSA-N
- CC=C(C)C(=O)OC1Cc2c(OC1(C)C)ccc1C=CC(=O)Oc21
MolClass #156447
RRHCDWLSHIIIIT-UHFFFAOYSA-N
- CC(C)(OC(=O)c1ccccc1)C1Cc2cc3C=CC(=O)Oc3cc2O1
MolClass #156448
VIPXLQMQEIDXMH-UHFFFAOYSA-N
- COc1ccc(C(=O)CC(O)=O)c2OC(C)(C)C=Cc12
MolClass #156449
XUXBOSSCMLZGTA-UHFFFAOYSA-N
- Cl.COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
MolClass #156450
QYRYFNHXARDNFZ-UHFFFAOYSA-N
- Cl.CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
MolClass #156451
RRJFVPUCXDGFJB-UHFFFAOYSA-N
- Cl.NCCc1cccc(O)c1
MolClass #156452
GTIWCKXKQGMMQZ-UHFFFAOYSA-N
- Cl.Cl.CCCNC1CCc2nc(N)sc2C1
MolClass #156453
QMNWXHSYPXQFSK-UHFFFAOYSA-N
- CCN1CC2(C)CCC(OC)C34C2C(O)C2(OCOC52CC(OC)C2CC3(O)C5C2O)C14
MolClass #156454
IHIZUKZPJAEJDO-UHFFFAOYSA-N
- COC(=O)C1(C)CCC2(C)CCC3(C)C4=CCc5c(C)c(O)c(O)cc5C4(C)CCC3(C)C2C1
MolClass #156455
GAPWCQHXCIXKLV-UHFFFAOYSA-N
- CCC(C(N)=O)c1ccccc1
MolClass #156456
UNFGQCCHVMMMRF-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)(CC(C)C(=O)C(C)C(O)C1(C)O)OC
MolClass #156457
AGOYDEPGAOXOCK-UHFFFAOYSA-N
- CC(=O)OCC1(C)CCC2(C)CCC3(C)C4=CCc5c(C)c(OC(C)=O)c(OC(C)=O)cc5C4(C)CCC3(C)C2C1
MolClass #156458
ZXEGQIHTADSPAP-UHFFFAOYSA-N
- CC1CCCC(=O)C=CC(=O)OC23C(C=CC1)C(O)C(=C)C(C)C2C(Cc1ccccc1)NC3=O
MolClass #156459
ZMAODHOXRBLOQO-UHFFFAOYSA-N
- Cl.CC(C)N(CCC(c1ccccc1)c1cc(C)ccc1O)C(C)C
MolClass #156460
FSUOGWPKKKHHHM-UHFFFAOYSA-N
- Cl.COc1cc2CC(CC3CCN(CC3)Cc3ccccc3)C(=O)c2cc1OC
MolClass #156461
XWAIAVWHZJNZQQ-UHFFFAOYSA-N
- NCCCC(N)C(O)=O.OC(=O)CCC(=O)C(O)=O
MolClass #156462
SLPUVFBNQHVEEU-UHFFFAOYSA-N
- CCOC(=O)C1C(c2ccccc2Cl)C(=C(C)NC=1COCCN)C(=O)OC.OS(=O)(=O)c1ccccc1
MolClass #156463
ZPBWCRDSRKPIDG-UHFFFAOYSA-N
- CN(C)CCCC1(OCc2cc(ccc21)C#N)c1ccc(F)cc1.OC(=O)C(O)=O
MolClass #156464
KTGRHKOEFSJQNS-UHFFFAOYSA-N
- CC(=O)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC21C
MolClass #156465
LASCNIPXMJNRGS-UHFFFAOYSA-N
- OCC(O)CC(O)CCCCCCCCCCCC#C
MolClass #156466
OHLQBKZXSJYBMK-UHFFFAOYSA-N
- OCl(=O)(=O)=O.O=C1CCCC2C3CC(CN21)C1CCCCN1C3
MolClass #156467
DVZQTPMQQXAHSQ-UHFFFAOYSA-N
- [O-][N+](=O)N=C1NCCN1Cc1ccc(Cl)cc1
MolClass #156468
QJVYBEVOEQSMCF-UHFFFAOYSA-N
- COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)C1Oc2cc(O)cc(O)c2C(=O)C1O
MolClass #156469
SEBFKMXJBCUCAI-UHFFFAOYSA-N
- COc1cccc(c1)C1Oc2cc(OC)ccc2C(=O)C=1
MolClass #156470
GUHXVSRRBMHSSC-UHFFFAOYSA-N
- O=C(CCCCCCCCCCCCC1CCCC1)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)CCCCCCCCCCCCC2CCCC2)cc1
MolClass #156471
OOSYXMPLIGBCDA-UHFFFAOYSA-N
- COc1cccc(O)c1O
MolClass #156472
LPYUENQFPVNPHY-UHFFFAOYSA-N
- CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(CCC4(C)C3C(=O)CC21C)OC(C)=O
MolClass #156473
PXQRJZNDFRAFTF-UHFFFAOYSA-N
- CC(C)(O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3C(O)CC21C
MolClass #156474
KYBLAIAGFNCVHL-UHFFFAOYSA-N
- COc1ccc2CC3N(C)CCC45C(Oc1c24)C(O)CC=C35
MolClass #156475
NNDKZTBFZTWKLA-UHFFFAOYSA-N
- COc1cc2CCC(NC(C)=O)C3=CC(=O)C(O)=CC=C3c2c(OC)c1OC
MolClass #156476
PRGILOMAMBLWNG-UHFFFAOYSA-N
- CCCC=CC=CC1CC(O)C(O)C(=O)C1C=O
MolClass #156477
MHZVWXOKIRZLCJ-UHFFFAOYSA-N
- CCCC1Cc2c(=O)oc(=O)c2CC(CC)Cc2c(=O)oc(=O)c12
MolClass #156478
NRDWUPPIGBHWAS-UHFFFAOYSA-N
- CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1.OS(O)(=O)=O
MolClass #156479
LLIODTIILSCNOH-UHFFFAOYSA-N
- CCOC(=O)C1CN(Cc2ccccc2)C(=O)C=1O
MolClass #156480
IGYRPDIWSYGHMY-UHFFFAOYSA-N
- Cl.NC(=N)Nc1ccc(Cl)cc1
MolClass #156481
RMFZXBDENVVLSL-UHFFFAOYSA-N
- OC1C(O)C2COC(O2)C1O
MolClass #156482
TWNIBLMWSKIRAT-UHFFFAOYSA-N
- CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)CO)C(O)=O
MolClass #156483
SQVRNKJHWKZAKO-UHFFFAOYSA-N
- COc1ccc(cc1)C1=COc2cc(OC)cc(O)c2C1=O
MolClass #156484
DQNLRFRBAWCJHQ-UHFFFAOYSA-N
- COC(=O)C(OC(C)=O)C1C(C)(C)C(OC(C)=O)C2CC3C(CCC4(C)C(OC(=O)CC=34)c3cocc3)C1(C)C2=O
MolClass #156485
KCXNWOIFSVEZCW-UHFFFAOYSA-N
- COC1C(O)C(C)OC(OC2CCC3(C=O)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2COC(=O)C=2)C1O.CC(O)=O
MolClass #156486
WZNNFLPDKYJHTM-UHFFFAOYSA-N
- COc1cc(cc(O)c1OC)C1=COc2cc(O)c(OC)c(O)c2C1=O
MolClass #156487
TUGWPJJTQNLKCL-UHFFFAOYSA-N
- CCCCCC(CC(O)=O)C(O)=O
MolClass #156488
FNZSVEHJZREFPF-UHFFFAOYSA-N
- COc1ccc(C(C)=O)c(OC)c1
MolClass #156489
VQTDPCRSXHFMOL-UHFFFAOYSA-N
- CCCCCCCCCCCCCCCC(=O)OCC(O)CO
MolClass #156490
QHZLMUACJMDIAE-UHFFFAOYSA-N
- CCOC(=O)CCCC=CCC=CCC=CCC=CCC=CCC
MolClass #156491
SSQPWTVBQMWLSZ-UHFFFAOYSA-N
- [Na+].[Na+].O=N[Fe-2](C#N)(C#N)(C#N)(C#N)C#N
MolClass #156492
FPWUWQVZUNFZQM-UHFFFAOYSA-N
- [Na+].[O-]C(=O)CCCO
MolClass #156493
XYGBKMMCQDZQOZ-UHFFFAOYSA-M
- OCC(O)C(O)C(O)C=O
MolClass #156494
PYMYPHUHKUWMLA-UHFFFAOYSA-N
- OC1(C(=O)c2ccccc2C1=O)C1(O)C(=O)c2ccccc2C1=O
MolClass #156495
LWFPYLZOVOCBPZ-UHFFFAOYSA-N
- CC(N)C(=O)NC(Cc1ccccc1)C(O)=O
MolClass #156496
OMNVYXHOSHNURL-UHFFFAOYSA-N
- NC(COCc1ccccc1)C(O)=O
MolClass #156497
IDGQXGPQOGUGIX-UHFFFAOYSA-N
- CC(=O)NC(Cc1ccccc1)C(O)=O
MolClass #156498
CBQJSKKFNMDLON-UHFFFAOYSA-N
- CC(=O)NC1C(O)OC(CO)C(O)C1O
MolClass #156499
OVRNDRQMDRJTHS-UHFFFAOYSA-N
- CC(C)CC(NC(=O)CCN)C(O)=O
MolClass #156500
YVFFCSSMTOXAQS-UHFFFAOYSA-N
- COc1ccc(cc1)C1Oc2ccccc2C(=O)C=1OC
MolClass #156501
AFIUIJXKXMMNCK-UHFFFAOYSA-N
- Cl.Cl.COc1cc2CCN(C)C3Cc4ccc(Oc5cccc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc32)c67)c5)cc4O
MolClass #156502
SNFZOWCOEANLMI-UHFFFAOYSA-N
- CC(C)=CCCC(C)=CCCC(C)=CCO
MolClass #156503
CRDAMVZIKSXKFV-UHFFFAOYSA-N
- C=C(C)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C
MolClass #156504
PIMZUZSSNYHVCU-UHFFFAOYSA-N
- CC(C)CC(N)C(=O)NC(C)C(O)=O
MolClass #156505
HSQGMTRYSIHDAC-UHFFFAOYSA-N
- [Zn+2].[O-]S(=O)(=O)c1ccc(N)cc1.[O-]S(=O)(=O)c1ccc(N)cc1
MolClass #156506
RFFISINKYVOXBZ-UHFFFAOYSA-L
- CC1(C)CCC(O)C2(C)C1C(O)C(O)C1(C)OC(C)(CC(=O)C12O)C=C
MolClass #156507
WPDITXOBNLYZHH-UHFFFAOYSA-N
- COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
MolClass #156508
MBNGWHIJMBWFHU-UHFFFAOYSA-N
- CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
MolClass #156509
OJISWRZIEWCUBN-UHFFFAOYSA-N
- CCNCC.CCN(CC)N(O)N=O
MolClass #156510
LBJLVZKEUWCGIA-UHFFFAOYSA-N
- COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC12C)c1cocc1
MolClass #156511
OBSYBRPAKCASQB-UHFFFAOYSA-N
- COc1ccc2OC(=CC(=O)c2c1)c1ccccc1OC
MolClass #156512
PJJFYUAXYSKODT-UHFFFAOYSA-N
- COc1ccc2C(=O)C(=COc2c1)c1ccc(O)cc1
MolClass #156513
LNIQZRIHAMVRJA-UHFFFAOYSA-N
- COc1cc(O)c(C(C)=O)c(O)c1
MolClass #156514
GKSGTWUNURZTKD-UHFFFAOYSA-N
- CCCCCCCCCCOc1cc2c(O)c(cnc2cc1OCC)C(=O)OCC
MolClass #156515
JHAYEQICABJSTP-UHFFFAOYSA-N
- CNC1CC(N)C(O)C(OC2OC(CO)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC3C2O)C1O
MolClass #156516
ONCSSPOCYKWCTO-UHFFFAOYSA-N
- Cl.CNCCC(Oc1cccc2ccccc12)c1sccc1
MolClass #156517
BFFSMCNJSOPUAY-UHFFFAOYSA-N
- Brc1ccc(cc1)C1C(=O)c2ccccc2C1=O
MolClass #156518
NPUZIGSOEWMFKK-UHFFFAOYSA-N
- [O-]C(=O)CC(O)C[N+](C)(C)C
MolClass #156519
PHIQHXFUZVPYII-UHFFFAOYSA-N
- CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)CCC(O)=O
MolClass #156520
APGDTXUMTIZLCJ-UHFFFAOYSA-N
- Cl.CC(N)C12CC3CC(CC(C3)C1)C2
MolClass #156521
OZBDFBJXRJWNAV-UHFFFAOYSA-N
- COC(=O)C(Cc1ccccc1)NC(=O)C(c1ccccc1)=c1oc(=O)c(c1O)c1ccccc1
MolClass #156522
DKDGWAKCXBFTMM-UHFFFAOYSA-N
- OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O
MolClass #156523
BGOFCVIGEYGEOF-UHFFFAOYSA-N
- CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
MolClass #156524
MQYXUWHLBZFQQO-UHFFFAOYSA-N
- OCC1OC(OCCCc2ccc(O)cc2)C(O)C(O)C1O
MolClass #156525
UTQOLIYEFVSSCL-UHFFFAOYSA-N
- COc1ccc(cc1)C1Oc2cc(OC)cc(O)c2C(=O)C=1
MolClass #156526
LZERJKGWTQYMBB-UHFFFAOYSA-N
- CC(C)(N)Cc1ccccc1
MolClass #156527
DHHVAGZRUROJKS-UHFFFAOYSA-N
- COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
MolClass #156528
JHJOOSLFWRRSGU-UHFFFAOYSA-N
- NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
MolClass #156529
AXKPFOAXAHJUAG-UHFFFAOYSA-N
- [Na+].[O-]C(=O)CCNC(=O)C(O)C(C)(C)CO
MolClass #156530
GQTHJBOWLPZUOI-UHFFFAOYSA-M
- CC(=O)C12OC(C)(OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC12C)c1ccccc1
MolClass #156531
AHBKIEXBQNRDNL-UHFFFAOYSA-N
- CC(=O)OC1(C(C)=O)C(=C)CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C
MolClass #156532
UDKABVSQKJNZBH-UHFFFAOYSA-N
- CCCCCCCCCCCCCCCCCCCCCCO
MolClass #156533
NOPFSRXAKWQILS-UHFFFAOYSA-N
- [ClH-].CCC(=O)OC(CC(O)=O)C[N+](C)(C)C
MolClass #156534
YNUCSWHBJRJKQH-UHFFFAOYSA-O
- CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O
MolClass #156535
QAQJMLQRFWZOBN-UHFFFAOYSA-N
- OCCCCCCC(O)C(O)CCCCCCCC(O)=O
MolClass #156536
MEHUJCGAYMDLEL-UHFFFAOYSA-N
- CCC1=C(C)C2=Cc3n4[Mg]n5c(=CC1=N2)c(C)c1C(=O)C(C(=O)OC)C(C2=NC(=Cc4c(C)c3C=C)C(C)C2CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)=c51
MolClass #156537
ATNHDLDRLWWWCB-UHFFFAOYSA-M
- OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O
MolClass #156538
DLRVVLDZNNYCBX-UHFFFAOYSA-N