Experimental binding measurements for SAMPL9 were obtained via Isothermal Titration Calorimetry (ITC) by the Lyle Isaacs and Michael Gilson 53 labs. All experimental thermodynamic data for host-guest systems were parsed and processed to be used for analysis as seen in Table . The original experimental data provided by the Isaacs and Gilson (as .docx files) groups can be seen in the SAMPL9 GitHub Repository ( samplchallenges/SAMPL9/tree/main/experimental_data).