Variable smiles changed to SMILES in getInfo_and_InChIKeys.R. Script to run the functions was added

Signed-off-by: Tobias Schulze <tobias.schulze@ufz.de>
Merge branch 'master' of https://github.com/tsufz/MassBankScripts
edit_MB_records_publ_locn.R moved to own project

Signed-off-by: Tobias Schulze <tobias.schulze@ufz.de>