/// <summary> /// Returns a unique key for the chemical structure. /// </summary> /// <returns>A canonical Smiles string representing the unique key for the chemical structure.</returns> public string GetUniqueKey() { string uniqueKey = String.Empty; using (Indigo indigo = new Indigo()) { IndigoObject structure = CreateIndigoStructure(indigo); uniqueKey = structure.canonicalSmiles(); structure.Dispose(); } return(uniqueKey); }