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Chemistry Dashboard Data: DSSTox Mapping

posted on 2018-05-10, 18:23 authored by EPA's National Center for Computational Toxicology
The DSSTOX mapping file contains mappings between the DSSTox substance identifier (DTXSID) and the associated InChI String and InChI Key. The file is made available as a Tab Separated Value (TSV) file with each entry represented as shown:
DTXSID7020001  InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)  FJTNLJLPLJDTRM-UHFFFAOYSA-N