Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NQ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
2 InChIKey InChI 1.03 CSFWPUWCSPOLJW-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C2c1c(cccc1)C(=O)C(O)=C2
4 SMILES CACTVS 3.341 OC1=CC(=O)c2ccccc2C1=O
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)C=C(C2=O)O
6 Canonical SMILES CACTVS 3.341 OC1=CC(=O)c2ccccc2C1=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)C=C(C2=O)O