Experimental CCS Values in PubChem

The collection of experimental collision cross section (CCS) values from ion mobility experiments in PubChem, retrieved via the code developed here. "All_CCS_in_PubChem.csv" contains all CCS values extracted (including those without PubChem Compound Identifiers, CIDs). "All_CCS_in_PubChem_wInfo.csv" contains all CCS values, plus post-processing (splitting annotations, adducts and comments, adding chemical identifiers), but excludes all entries with no CID (and thus no structural information). Details how this file was produced are given here.