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SDF to InChI Converter

Flatten a compound library into canonical InChI strings — the standard step before registering structures in a database.


Registration workflow

Compound registration requires a canonical representation, and InChI is the usual choice. This converter processes every record in an SDF file in one pass, producing one InChI per line in the same order as the input records — so you can join the output back to your source table by row number.

What is dropped

All SDF data fields (name, CAS number, supplier ID, custom properties) are discarded. Only the structure survives. If you need to keep annotations, export them separately and merge by record order.

Quality check

Before registering, scan the output for empty or duplicated InChI values: the first usually means a broken record, the second a genuine duplicate in your library.

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