new_contents: import CoolProp
  from chemspipy import ChemSpider
  from chemspipy_key import key # private file with the key (DO NOT COMMIT!!)
  import glob, json
  cs = ChemSpider(key)
  
  # Map from name to Chemspider ID
  backup_map = {
      'Propyne': 6095,
      'R236EA': 71342,
      'R245ca': 62827,
      'trans-2-Butene': 56442,
      'Oxygen': 952,
      'Fluorine': 22932,
      'Hydrogen': 762,
      'Deuterium': 22931,
      'HFE143m': 66577
  }
  
  # Make sure the key works
  c = cs.get_compound(2157)
  assert(c.inchikey == 'BSYNRYMUTXBXSQ-UHFFFAOYAW')
  
  for fname in glob.glob('../fluids/*.json'):
      with open(fname,'r') as fp:
          jj = json.load(fp)
  
      fluid = jj['INFO']['NAME']
  
      def doset(result):
          jj['INFO']['INCHI_STRING'] = result.inchi
          jj['INFO']['INCHI_KEY'] = result.inchikey
          jj['INFO']['CHEMSPIDER_ID'] = result.csid
          jj['INFO']['2DPNG_URL'] = result.image_url
          jj['INFO']['SMILES'] = result.smiles
  
      CAS = CoolProp.CoolProp.get_fluid_param_string(fluid, "CAS")
      if '.' not in CAS:
          results = cs.search(CAS)
          results.wait()
          if len(results) == 1:
              doset(results[0])
          elif fluid in backup_map:
              results = cs.search(backup_map[fluid])
              results.wait()
              assert(len(results) == 1)
              doset(results[0])
          else:
              print fluid, CAS, '!!failure!!', len(results)
              for result in results:
                  spectra = cs.get_compound_spectra(result.csid)
                  if spectra and '##CAS REGISTRY NO='+CAS in spectra[0].data:
                      doset(result)
                      print ('GOT IT!!')
                      break
                  print result.common_name, result.inchikey, result.stdinchi, cs.get_extended_compound_info(result.csid)
              print ''
  
      with open(fname,'w') as fp:
          json.dump(jj, fp, indent = 2, sort_keys = True)
  
      del jj, fp
subject: Add script for injecting InChI keys and string (and others)