. 2023 May 25;145(22):12066–12080. doi: 10.1021/jacs.3c01392

Table 1. Quality Control Process of the NMhare1.0 Library^a.

correct ¹H NMR	soluble	SNE with photo-CIDNP NMR	total
277	262	212	287
97%	91%	74%	100%

First 287 molecules are selected to have a most central aromatic ring yielding photo-CIDNP SNE. Second, a 1D ¹H NMR experiment of each compound (200 μM) is recorded in the presence of 100 μM DSS as a reference signal, and the signal intensity is compared to the DSS to ensure that the compounds are present at a concentration of at least 100 μM. Finally, the photo-CIDNP signal is recorded, and observation of SNE > 5 is the final criterion for inclusion.

Table 1. Quality Control Process of the NMhare1.0 Librarya.

Table 1. Quality Control Process of the NMhare1.0 Library^a.