Codename | Explanation |
---|---|
H, +H | Add explicit Hydrogen atoms. |
-H | Remove explicit Hydrogen atoms. |
Tf1:f2... | Exports molecule properties with key f1 , f2 , ... The keys are separated wit : character. T* exports all fields. Only for single line results, see AuxNone option |
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 |
NoWarnings | Do not display warnings |
Depricated from version 19.11, use NoWarnings instead |
See also