Common cheminformatics formats

• Canonical SMILES format (can)
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• Chemical Markup Language (cml, mrv)
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  • Comments
• InChI format (inchi)
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  • Comments
• InChIKey (inchikey)
• MDL MOL format (mol, mdl, sdf, sd)
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• Protein Data Bank format (pdb, ent)
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• SMILES format (smi, smiles)
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• Sybyl Mol2 format (ml2, sy2, mol2)
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