{"accessLevel": "public", "bureauCode": ["020:00"], "contactPoint": {"fn": "Alexander Hanf", "hasEmail": "mailto:hanf.alexander@epa.gov"}, "description": "Data S1. Example of NMReDATA.sdf file including NMReDATA for benzo[a]pyrene\n\nData S2. Pure text translation of the NMReDATA.sdf of benzo[a]pyrene. \n\nThis dataset is associated with the following publication:\nPupier, M., J. Nuzillard, J. Wist, N.E. Schl\u00f6rer, S. Kuhn, M. Erdelyi, C. Steinbeck, A. Williams, C. Butts, T.D.W. Claridge, B. Mikhova, W. Robien, H. Dashti, H.R. Eghbalnia, C. Far\u00e8s, C. Adam, P. Kessler, F. Moriaud, M. Elyashberg, D. Argyropoulos, M. P\u00e9rez, P. Giraudeau, R.R. Gil, P. Trevorrow, and D. Jeannerat. NMReDATA, a standard to report the NMR assignment and parameters of organic compounds.   Magnetic Resonance in Chemistry. John Wiley & Sons, Inc., Hoboken, NJ, USA, 56(8): 703-715, (2018).", "distribution": [{"accessURL": "https://doi.org/10.1002/mrc.4737", "title": "https://doi.org/10.1002/mrc.4737"}], "identifier": "https://doi.org/10.23719/1504523", "keyword": ["Automated Structure Verification", "ExpoCast", "NMR record", "NMReData", "data format", "database", "exposure", "extracted data"], "license": "https://pasteur.epa.gov/license/sciencehub-license.html", "modified": "2018-04-14", "programCode": ["020:095"], "publisher": {"name": "U.S. EPA Office of Research and Development (ORD)", "subOrganizationOf": {"name": "U.S. Environmental Protection Agency", "subOrganizationOf": {"name": "U.S. Government"}}}, "references": ["https://doi.org/10.1002/mrc.4737"], "rights": null, "title": "NMReDATA, a standard to report the NMR assignment and parameters of organic compounds"}