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CDKSDF2INCHI(1) User Commands CDKSDF2INCHI(1)

NAME

cdksdf2inchi - convert SDF to InChI

DESCRIPTION

Convert SDF (MOL) files to InChI or InChIKey strings.

USAGE

cdksdf2inchi < input.sdf cdksdf2inchi inputs*.sdf

OPTIONS:

-2, --mdl2000-input
read MDL2000 format files (default)
-3, --mdl3000-input
read MDL3000 format files

-h, --suppress-hydrogens

suppress explicit hydrogens (default)

-h-, --dont-suppress-hydrogens

leave explicit hydrogens
Print program version and exit
Print short help message (this message) and exit
February 2026 cdksdf2inchi version 0.4.0