I previously generated (up to 20) conformers for all compounds in the ZINC drug-like set and calculated their USRCAT moments, leading to a PostgreSQL schema with partitions for each conformer serial (0-19). Using the pgopeneye cartridge, I only had to plug in the SMILES of compound OSM-S-39 to generate a conformer, to calculate the USRCAT moments and to run the virtual screen. In this particular case I only searched the low-energy conformers (conformer serial=0) as they return the best results in my experience. The total number of screened ZINC compounds was 12,454,678. The SQL query I used can be seen below:
The whole query only takes less than 2 seconds, with almost 1.5s spent on the more demanding conformer generation (the database I/O take a large toll as well). I did four runs with different USRCAT parameters: the first one with all pharmacophore weights set to 0.0, which is equivalent to a USR search. The second used 0.25 for all weights, the third 0.5 and the fourth and last 1.0. The screening results for each run can be seen and downloaded here from figshare. Maybe someone else will find something useful in the results!