*2.2. Coformer Selection*

A search of the Cambridge Structural Database (CSD) [19] was conducted to identify the coformers with complementary functional groups that can serve as components for molecular recognition with FUR.

The excess enthalpy (Hex) of mixing between FUR and selected coformers was calculated using COSMOquick software [20] (COSMOlogic, Germany, Version 1.4).
