MetFrag Local CSV: CompTox (7 March 2019 release) Wastewater MetaData File

This is the CSV file that can be used as a local database in MetFrag (https://msbi.ipb-halle.de/MetFrag/), for those who wish to integrate this into the command line version.

Note that this file is TOO LARGE to be uploaded via the web interface, this is already integrated in the web interface.

This file is based off the "SelectMetaData" CompTox MetFrag file from the 7 March 2019 release, available from:

ftp://newftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistry_Dashboard/MetFrag_metadata_files

The Wastewater MetaData file contains the following fields, in addition to the regular (basic) CompTox data fields:

Suspect Lists (1=presence, 0=absence):

- ITNANTIBIOTIC, STOFFIDENT, REACH2017, ZINC15PHARMA and PFASMASTER

Suspect Lists with scores from KEMI (see details on NORMAN-SLE and hyperlinks below):

- KEMIMARKET_EXPO, KEMIMARKET_HAZ, KEMIWW_WDUIndex, KEMIWW_StpSE, KEMIWW_SEHitsOverDL