We present the Jammy Key for Quantum Chemistry (JKQC) Python script designed to store essential molecular cluster information into a Pandas 72,73 dataframe. Structure parsing is accomplished with ASE, while pertinent molecular properties are directly extracted from QC output files. This approach replaces numerous QC output files, potentially consuming multiple gigabytes of memory, with a single, compact file of a few megabytes. Additionally, all the data filtering and post-corrections elaborated in the previous section can be easily performed using JKQC. JKQC is also automated to create input for other programs such as the Ion Mobility Software Suite (IMoS 75 ), used to calculate collision cross sections and ion mobilities, and the Atmospheric Cluster Dynamics Code (ACDC ), used to calculate cluster/particle formation rates based on cluster population dynamics. This automatization reduces the human errors that accompany the manual construction of these files.