Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- CN1C(=O)N(C)c2nc[n-]c2C1=O.C[N+](C)(C)CCO
MolClass #156539
RLANKEDHRWMNRO-UHFFFAOYSA-M
- CCCCC(CC)COC(=O)c1ccccc1O
MolClass #156540
FMRHJJZUHUTGKE-UHFFFAOYSA-N
- [ClH-].Cl.Cc1ncc(C[n+]2csc(CCO)c2C)c(O)n1
MolClass #156541
SIVVDOSKJBEMEO-UHFFFAOYSA-O
- Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
MolClass #156542
SIXLXDIJGIWWFU-UHFFFAOYSA-N
- [Na+].[O-]P(O)(=O)OCC(O)C(O)C(O)CN1c2cc(C)c(C)cc2N=C2C(=O)NC(=O)N=C12
MolClass #156543
OHSHFZJLPYLRIP-UHFFFAOYSA-M
- CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)=O
MolClass #156544
KVKJFNUGVOFNGU-UHFFFAOYSA-N
- CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O
MolClass #156545
HZLCGUXUOFWCCN-UHFFFAOYSA-N
- CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I
MolClass #156546
YVPYQUNUQOZFHG-UHFFFAOYSA-N
- CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C
MolClass #156547
YNNURTVKPVJVEI-UHFFFAOYSA-N
- [O-]C(=O)C1N2C(SCC=1C[n+]1ccccc1)C(NC(=O)C(=NOC(C)(C)C(O)=O)c1csc(N)n1)C2=O
MolClass #156548
ORFOPKXBNMVMKC-UHFFFAOYSA-N
- [BrH-].CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
MolClass #156549
VJYXNOGPCMQQLZ-UHFFFAOYSA-N
- Cl.Cl.CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1
MolClass #156550
ZHRVNCCPAKIGRH-UHFFFAOYSA-N
- OC1COC(O)C1O
MolClass #156551
FMAORJIQYMIRHF-UHFFFAOYSA-N
- CC1COc2c3ccc4c(C)cccc4c3c(=O)c(=O)c12
MolClass #156552
HARGZZNYNSYSGJ-UHFFFAOYSA-N
- CC(=O)OC1OC(=O)c2c(OC(C)=O)c(C)c3OC(=O)c4c(C)cc(OC(C)=O)c(C=O)c4Oc3c12
MolClass #156553
AMUZVIGDLQHHOR-UHFFFAOYSA-N
- [IH-].C[N+]12CCC34C1CC1C5C(CC(=O)N(C53)c3ccccc34)OCC=C1C2
MolClass #156554
PUQHQUJLOFBLJO-UHFFFAOYSA-N
- OC(=O)C=CC=Cc1ccc2OCOc2c1
MolClass #156555
RHBGITBPARBDPH-UHFFFAOYSA-N
- COc1cc(O)cc(O)c1C(C)=O
MolClass #156556
IETZAWFZIAOWQX-UHFFFAOYSA-N
- CCCN.CCCCCCCCCCNCCC.CCCNCCCCCC[N+](C)(C)C.ClCC1CO1
MolClass #156557
XNOCJXKFGRIXTK-UHFFFAOYSA-N
- Cl.COC(=O)C(C1CCCCN1)c1ccccc1
MolClass #156558
JUMYIBMBTDDLNG-UHFFFAOYSA-N
- COc1cc2Oc3cc(OC)c(OC)c(CC=C(C)C)c3C(=O)c2c(OC)c1CC=C(C)C
MolClass #156559
RFUSYMXYRAILPB-UHFFFAOYSA-N
- COc1cc2Oc3cc(OC)c(OC)c(CC=C(C)C)c3C(=O)c2c(O)c1CC=C(C)C
MolClass #156560
FCIKYGUVHWZSJV-UHFFFAOYSA-N
- CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
MolClass #156561
DJWYOLJPSHDSAL-UHFFFAOYSA-N
- [Na+].[O-]C(=O)C(O)C(O)C(O)C(O)COC(=O)CN(C)C
MolClass #156562
MKVDFFROCUECAJ-UHFFFAOYSA-M
- [Na+].COCCCOc1ccnc(CS(=O)c2[n-]c3ccccc3n2)c1C
MolClass #156563
KRCQSTCYZUOBHN-UHFFFAOYSA-N
- O.O.O.[Na+].[O-]P(O)(=O)C(O)(Cc1cccnc1)P(O)(O)=O
MolClass #156564
BUEFFQAULCECBA-UHFFFAOYSA-M
- OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl
MolClass #156565
BAQAVOSOZGMPRM-UHFFFAOYSA-N
- CCC(C)C1NC(=O)C(CCN)NC(=O)C(CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(NC1=O)C(C)CC)C(C)O)NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)C)C(C)O.OS(O)(=O)=O.OS(O)(=O)=O
MolClass #156566
GQOWKFKFLXZQFI-UHFFFAOYSA-N
- O1[As]2O[As]1O2
MolClass #156567
GOLCXWYRSKYTSP-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
MolClass #156568
DGBIGWXXNGSACT-UHFFFAOYSA-N
- COc1ccc(cc1)C1=COc2c(O)c(O)c(OC)cc2C1=O
MolClass #156569
BSXFDHHTXOAUGB-UHFFFAOYSA-N
- CC(=O)OC1CCC2C3CCC4(C)C(CC(C#C)C4OC(C)=O)C3CCC2=C1
MolClass #156570
BVXLMMNMQUPTKS-UHFFFAOYSA-N
- CN1CCCN=C1C=Cc1cccc(O)c1.OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc32)C(O)=O)c1O
MolClass #156571
CCOAINFUFGBHBA-UHFFFAOYSA-N
- COc1ccc(C(C)=O)c(O)c1
MolClass #156572
UILPJVPSNHJFIK-UHFFFAOYSA-N
- CCOC(=O)Nc1c(=O)c(C2CC2)c(NC(=O)OCC)c(=O)c1C1CC1
MolClass #156573
FMFBZYJDTUPLBV-UHFFFAOYSA-N