Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CYN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/CN/c1-2/q-1
2 InChIKey InChI 1.03 XFXPMWWXUTWYJX-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 [C-]#N
4 SMILES CACTVS 3.341 [C-]#N
5 SMILES OpenEye OEToolkits 1.5.0 [C-]#N
6 Canonical SMILES CACTVS 3.341 [C-]#N
7 Canonical SMILES OpenEye OEToolkits 1.5.0 [C-]#N