We created input files for multiple force fields from a filtered eMolecules set (filtering described in Section 3.3). Partial charges were assigned to molecules before minimization using the OpenEye implementation of AM1-BCC . The input generation process yields one Tripos MOL2 file to be minimized directly with SMIRNOFF99frosst, MMFF94, and MMFF94S, as well as individual input coordinate and parameter topography files for use by GAFF (1.8) and GAFF2 (2.1). These force fields were chosen because they are widely-used, easily available, and compatible with our workflow. Other force fields were either incompatible with our toolchain without substantial additional work, or were commercial and proprietary. For example, comparisons with CGenFF , OPLS-AA , or the Schrödinger OPLS series would be of considerable interest, but these require substantially different toolchains, and the most recent Schrödinger force fields are also proprietary and require paying for a license.