.TDT

TDT File

THOR Data Tree File
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A TDT file is a THOR Data Tree - a chemical-information record from Daylight Chemical Information Systems. Each record ties a chemical structure (a SMILES string) to tagged fields such as names, properties, and registry numbers. Open it natively with Daylight's THOR-Merlin tools; a text editor shows the raw text but won't interpret the chemistry.

Developer: Daylight Chemical Information Systems, Inc. Category: Data Files MIME: text/plain
OPENS ON Windows macOS Linux
Related: .PKPASS · .DAT · .JSON · .RIS

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Last reviewed Jul 24, 2026

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What is the TDT file format?

.tdt files contain THOR Data Tree records - the exchange format of Daylight Chemical Information Systems' THOR chemical database. .tdt files are used for exchanging chemical information in standardized form between programs that use different languages or syntax, making TDT a multiplatform data-sharing format.

.tdt files save data in plain text. However, their custom *datatree* syntax makes the contents virtually unreadable for the average person without a proper converter. Each record is anchored by a root SMILES structure string, followed by tagged dataitems (properties, names, cross-references) terminated by a | character - linking many properties to one compound in the "thesaurus" style that THOR is named for.

TDT has been largely superseded in general cheminformatics by SDF and flat SMILES files, which have broader tool support. Loading and querying .tdt files requires Daylight's THOR-Merlin software or Toolkit; a text editor shows the raw tagged structure but cannot interpret it without additional processing.

Security & safety

RISK: LOW

A .tdt is passive text data, not executable, so it is low risk to open. The realistic concerns are practical: it's a niche Daylight-specific format, so without THOR/Merlin or the Daylight Toolkit you can only read the raw text, not work with the chemistry; and chemical datasets may be proprietary/confidential, so handle exported THOR data per your organization's data policy.

Format details

in a nutshell
FULL NAMETHOR Data Tree Fileaka THOR datatree, Daylight TDT file
DEVELOPERDaylight Chemical Information Systems, Inc.since With Daylight's THOR/Merlin chemical database system (1990s)
CATEGORYData Files
MIME TYPEtext/plain
TYPEText-based chemical-information record (custom THOR datatree syntax)
This extension is also used by…
  • Tab-Delimited Text data export - Some applications use .tdt as a generic tab-delimited text data file; open in Excel or a text editor - unrelated to Daylight THOR.
  • Application-specific data/template files - A few programs reuse .tdt for their own data or template files; check the producing application.

Programs that open TDT files

Windows2 apps
Daylight Toolkit / THOR-Merlin Paid Load/query the .tdt with Daylight's THOR-Merlin database tools (the native, intended way).
Notepad++ (read raw) Open-source Open the .tdt to inspect the raw datatree text (SMILES + tagged fields); it won't interpret the chemistry.
macOS1 app
Any text editor (read raw) Free Open the .tdt as text to view the records; use Daylight tools for actual loading/querying.
Linux1 app
Daylight Toolkit + text tools Paid Use the Daylight Toolkit/THOR on Unix/Linux to load the datatree; inspect raw text with less/vim.

Technical details

deep spec
Format typeText-based chemical-information record (THOR datatree syntax)
DeveloperDaylight Chemical Information Systems, Inc.
EncodingASCII plain text
CompressionNone (THOR database uses indexed storage; the TDT exchange form is uncompressed text)
Typical sizeKB to many MB (depends on the number of compound records)
Associated OSUnix, Linux, Windows (with Daylight Toolkit / THOR-Merlin)
Record structureSMILES root identifier + tagged dataitems (properties, names, cross-refs) + | record terminator
SMILES rootEach datatree is keyed by a SMILES or SMIRKS string identifying the compound by structure
Datatree conceptMultiple properties (thesaurus entries) attached to one compound root form THOR's searchable database
MIME typetext/plain (no registered MIME)
Tool requirementDaylight Toolkit or THOR-Merlin required for loading and querying; text editors show raw content only
Current statusLargely superseded by SDF/MOL and flat SMILES files in general cheminformatics; remains at THOR-Merlin sites
SpecificationDefined by the Daylight datatree specification at daylight.com
ReleasedWith Daylight's THOR/Merlin chemical database system (1990s)
Latest versionTied to the Daylight Toolkit / THOR-Merlin release
Specificationwww.daylight.com

TDT conversions

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Frequently asked questions

What is a TDT file?
It's a THOR Data Tree - a chemical-information record from Daylight Chemical Information Systems' THOR/Merlin database. Each record links a chemical structure (a SMILES string) to many tagged data fields.
How do I open a TDT file?
Natively with Daylight's THOR-Merlin tools or the Daylight Toolkit. You can also open it in any text editor to read the raw datatree, but an editor won't interpret the chemistry.
Why isn't my TDT file human-readable?
It is plain text, but it uses Daylight's custom datatree syntax (a SMILES root plus tagged dataitems, records ending in '|'), which is designed for software loading, not casual reading.
Can I convert a TDT to SDF or SMILES?
Yes, with effort: extract the SMILES to a .smi file or convert the records to SDF/MOL via the Daylight Toolkit or a parsing script (then RDKit/Open Babel). The structure travels well; associated fields need mapping.
Is TDT the same as a tab-delimited text file?
Not in this database. Here .tdt is Daylight's THOR Data Tree. Some other programs do use .tdt generically for tab-delimited text - those are unrelated and open fine in Excel.
What software made my TDT file?
Almost certainly Daylight's THOR/Merlin chemical database system. If it came from a non-chemistry app, it's more likely a generic tab-delimited data export that happens to share the extension.

References

1Daylight - THOR (Thesaurus Oriented Retrieval) theorywww.daylight.com
2Daylight - Merlin high-speed searchwww.daylight.com

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