This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• chemiscopify.ipynb: Notebook exemplifying how the provided XYZ structures and csv files can be combined to generate the Chemiscope json files.
• README.txt: README file detailing the contents of this record.
• I2-BPh2-final_chemiscope.json.gz: Chemiscope file containing the properties and structures of the final BPh2 functionalized linkers.
• I2-BMe2-final_chemiscope.json.gz: Chemiscope file containing the properties and structures of the final BMe2 functionalized linkers.
• I2-BBN-final_chemiscope.json.gz: Chemiscope file containing the properties and structures of the final BBN functionalized linkers.
• I2-BPh2-final.csv: CSV file containing the tabulated properties for the final BPh2-functionalized linkers.
• I2-BMe2-final.csv: CSV file containing the tabulated properties for the final BMe2-functionalized linkers.
• I2-BBN-final.csv: CSV file containing the tabulated properties for the final BBN-functionalized linkers.
• I2.tar.gz: Compressed file with all the XYZ files of the filtered, pre and post screened I2 of the functionalized linkers.
• LPAS.tar.gz: Compressed file with all the XYZ files of the filtered functionalized linkers.
• DL-database.tar.gz: Compressed file with all the XYZ files of the functionalized linkers.
• seed-database.tar.gz: Compressed file with all the XYZ files of the initial N-containing linkers.
• predicted_PLD.csv: Predicted PLD for the functionalized linkers.
• mofs.tar.gz: Compressed file with all the CIF files of the MOFs containing functionalized linkers.
• mofs_data.csv: CSV file containing the tabulated properties for the MOFs containing functionalized linkers.