InChi and InChiKey export options

Export options

Codename

Explanation

H, +H

Add explicit Hydrogen atoms.

-H

Remove explicit Hydrogen atoms.

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