Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0HQ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/CH2N2/c1-3-2/h1H2
2 InChIKey InChI 1.03 YXHKONLOYHBTNS-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 [N-]=[N+]=C
4 SMILES CACTVS 3.370 C=[N+]=[N-]
5 SMILES OpenEye OEToolkits 1.7.0 C=[N+]=[N-]
6 Canonical SMILES CACTVS 3.370 C=[N+]=[N-]
7 Canonical SMILES OpenEye OEToolkits 1.7.0 C=[N+]=[N-]