File Formats : InChi and InChiKey export options

Export options

Export options can be specified in the format string. The format descriptor and the options are separated by a colon, the options by commas.

Codename	Explanation
SRel	Force relative stereo.
SAbs	Force absolute stereo
NEWPS	Narrow end of wedge points to stereocenter (default: both)
RecMet	Include reconnected metals results
FixedH	Mobile H Perception Off (Default: On)
AuxNone	Omit auxiliary information (default: Include)
NoADP	Disable Aggressive Deprotonation (for testing only)
Compress	Compressed output
DoNotAddH	Don't add H according to usual valences: all H are explicit
Key	Exports the InChIKey as well
Woff	Do not display warnings

See also