Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : VH0    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 SMILES CACTVS 3.370 NCc1cn(nn1)[CH]2CN[CH](C2)C(O)=O
2 SMILES OpenEye OEToolkits 1.7.6 c1c(nnn1C2CC(NC2)C(=O)O)CN
3 Canonical SMILES CACTVS 3.370 NCc1cn(nn1)[C@@H]2CN[C@@H](C2)C(O)=O
4 Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN