text: 
  
  
  #from zinc_id.get_zincid import get_zincid_from_smile
  
  #zinc_id = get_zincid_from_smile("FC(F)(F)C1=CC=C(NC(=O)CSC2=NC(=CC=N2)C2=CC(=NO2)C2=CC=C(Cl)C=C2Cl)C=C1")
  #print(zinc_id)
  
  
  from padelpy import from_smiles
  
  #calculate molecular descriptors for propane
  descriptors = from_smiles('FC(F)(F)C1=CC=C(NC(=O)CSC2=NC(=CC=N2)C2=CC(=NO2)C2=CC=C(Cl)C=C2Cl)C=C1')
  
  
  
  #print(type(descriptors))
  #print(len(descriptors))
  # in addition to descriptors, calculate PubChem fingerprints
  #desc_fp = from_smiles('CCC', fingerprints=True)
  
  # only calculate fingerprints
  #fingerprints = from_smiles('CCC', fingerprints=True, descriptors=False)
  
  # save descriptors to a CSV file
  #_ = from_smiles('FC(F)(F)C1=CC=C(NC(=O)CSC2=NC(=CC=N2)C2=CC(=NO2)C2=CC=C(Cl)C=C2Cl)C=C1', output_csv='descriptors.csv')
  
  from tabula import read_pdf, convert_into
  
  
  
  #convert_into("./data/smiles_pdf.pdf", "smiles.csv", output_format="csv", pages='all')
  #zinc_id = get_zincid_from_smile("ClC1=CC(NC(=O)CSC2=NC=CC(=N2)C2=CSC(=N2)C2=CC=CC=C2)=CC(Cl)=C1")
  #print(zinc_id)
  
  #print("arun")
  