We observed 150 Checkmol functional group descriptors with at least two occurrences within the FivePlus set. For each descriptor, we compared the proportion of FivePlus molecules with this descriptor to the proportion of molecules with this descriptor in the total set (Eq. 1), to assess whether any particular chemistries/functional groups tend to increase the likelihood of force fields treating molecules differently (and thus it ending up in the FivePlus set). We then identified the descriptors that are over-represented within the FivePlus set. For each of the descriptors we include in this section, we will provide an inline SMILES pattern for that descriptor along with the number of molecules with that descriptor in the current set of interest and the total set in the form (SMILES, number of molecules with the descriptor in the set of interest, number of molecules in total). For We repeated this process with pairs of Checkmol descriptors to see whether particular combinations of descriptors are especially indicative of discrepancies. We observed 6,500 descriptor pairs occurring in at least two cases in the FivePlus set.