Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NH2    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.02b InChI=1/H3N/h1H3
2 InChIKey InChI 1.02b QGZKDVFQNNGYKY-UHFFFAOYAF
3 SMILES ACDLabs 10.04 N
4 SMILES CACTVS 3.341 [NH2]
5 SMILES OpenEye OEToolkits 1.5.0 [NH2]
6 Canonical SMILES CACTVS 3.341 [NH2]
7 Canonical SMILES OpenEye OEToolkits 1.5.0 [NH2]