Figure shows the number of compounds the three data sets had in common. The largest overlap of 348 molecules was between the FDS-1000 and the LEF5500. There was an overlap of 237 molecules between the FDS-1000 and FFL-d6. We used the overlap between the LEF5500 and the FDS-1000 to investigate how comparable the measured 19 F NMR chemical shifts were across data sets. Both data sets were in very good agreement as can be seen in Figure . There were two molecules with very different chemical shifts. Further discussion of these outliers as well as the chemical shift deviations in general can be found in Section 3 of the Supporting Information. The mean absolute deviation for the CF motif was 0.27 ppm. This was substantially worse than the possible deviation of less than 0.03 ppm reported by Rosenau et al. , but lower than the deviation expected of two data sets with different experimental procedures and different referencing.