Most astrochemical databases8such as the Umist Database for Astrochemistry (UDfA) or the Kinetic Database for Astrochemistry (KIDA) od not contain isotopic information. Only chemical reactions for the main isotopologues are listed. I wrote a Mathematica ® package that takes a chemical reaction and composes all possible isotopic variants of that reaction. Then a heuristic set of rules is applied to filter out those permutations that are chemically likely. Details are described in Röllig & Ossenkopf (2013).

Package download.