Release 3 - November 2019
2,819 Tautomeric Tuples Comprising 5,977 Structures
A spreadsheet (Tautomer_database_release_3.xlsx file) with 5,977 structures extracted from experimental
literature representing 2,819 cases of tautomeric tuples (mostly tautomer pairs but also a few triples and higher-order tuples).
All structures have been annotated with experimental conditions, structure identifiers, bibliographic references and types of tautomerism involved.
The structures and experiment-related data were extracted from a total of 171 publications, including reviews
reporting on multiple primary studies.
5,977 structures in .xlsx format. File size: approx. 1.7 MB
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Release 2 - February 2019
2,654 Tautomeric Tuples Comprising 5,674 Structures
A spreadsheet (Tautomer_database_release_2.xlsx file) with 5,674 structures extracted from experimental
literature representing 2,654 cases of tautomeric tuples (mostly tautomer pairs but also a few triples and higher-order tuples).
All structures have been annotated with experimental conditions, structure identifiers, bibliographic references and types of tautomerism involved.
The structures and experiment-related data were extracted from a total of 145 publications, including reviews
reporting on multiple primary studies.
5,674 structures in .xlsx format. File size: approx. 1.7 MB
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Release 1 (beta) - October 2017
1,925 Tautomeric Tuples Comprising 4,229 Structures
A spreadsheet (.xlsx file) with 4,229 structures extracted from experimental literature
representing 1,925 cases of tautomeric tuples (mostly tautomer pairs but also a few triples and higher-order tuples).
All structures have been annotated with experimental conditions, structure identifiers, bibliographic references and other (hopefully) useful data.
The structures and experiment-related data were extracted from a total of 84 publications, many of them reviews
reporting on multiple primary studies.
Note: This is still a beta version. More explanations and edits/fixes will be added to the spreadsheet soon. Feel free to report issues you find.
4,229 structures in .xlsx format. File size: approx. 1 MB
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