This repository contains relevant project files of publicly available tautomer database "Tautobase". Each tautomer pair in the database has matching atom positions. The first version of the database contains 1680 unique tautomer pairs and available both as a DataWarrior file (.dwar) and a text file containing SMIRKS transformations along with the non-structural information.
The information digitalized in Tautobase is mainly sourced from the tautomer codex authored by P.W. Kenny and P.J. Taylor, “The Prediction of Tautomer Preference in Aqueous Solution”. (https://doi.org/10.6084/m9.figshare.8966276.v1)
Tautobase (.dwar file and SMIRKS transformations) can be downloaded from https://github.com/WahlOya/Tautobase.git
List of references, mentioned in the column "Reference" in the .dwar file can also be downloaded from this repository.
If you use Tautobase in your study, for citation please use: DOI
For questions/comments, please contact the corresponding author of the article.