The same group extended the analysis in 2020 with focus on alcohols, comparing simulations of methanol and ethanol in four MOFs with the interval of confidence obtained from experimental isotherms via their protocol. In this work, we aim to extend this link to as many gas adsorption isotherms for MOFs as possible, irrespective of the target application: how many MOF identities can we link both to experimentally resolved crystal structures (CSD) and to experimental gas adsorption isotherms (NIST-ISODB) by relying on the metadata present in the two databases?