NMReDATA, a standard to report the NMR assignment and parameters of organic compounds
Data S1. Example of NMReDATA.sdf file including NMReDATA for benzo[a]pyrene

Data S2. Pure text translation of the NMReDATA.sdf of benzo[a]pyrene. 

This dataset is associated with the following publication:
Pupier, M., J. Nuzillard, J. Wist, N.E. Schlörer, S. Kuhn, M. Erdelyi, C. Steinbeck, A. Williams, C. Butts, …