Dear all,

sorry for asking for something that has certainly been already answered.

Chem.MolToSmiles(m) produced a SMILES string for the the given molecule m.
How is it possible to associate the order of atom apparition in the SMILES chain
to a list of atom indexes in m?

All the best,


Jean-Marc Nuzillard
Directeur de Recherches au CNRS

Institut de Chimie Moléculaire de Reims
Moulin de la Housse
CPCBAI, Bâtiment 18
BP 1039
51687 REIMS Cedex 2

Tel : 03 26 91 82 10
Fax : 03 26 91 31 66

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