CHAFF_processing_scripts/st2_run_download_pubchem.py

import os
import subprocess

aid_list = [
    632, 1641, 1730, 1857, 1926, 435026, 504689, 720541, 1159604,
    587, 588, 589, 590, 591, 592, 593, 594, 709, 923, 1480, 1483, 1696, 1775, 1776, 2124, 2757,
    588517, 588620, 624483, 720675, 720678, 720680, 720681, 720682, 720686, 720687,
    584, 585, 1476, 1478, 485294, 485341, # Detergents
    411, 1006, 1269, 1379, 1891, 2515, 2530, 366887, 366889, 366891, 488838, 493175,
    588342, 588498, 602357, 602358, 602364, 602474, 602475, 602476, 602477,
    624030, 652016, 720522, 720835, 1224835, 1347047,
    672, 682, 936,
    878, 888, 929, 1234
    ]

for aid in aid_list:
    output_file = f"./raw/pubchem_aid_{aid}.csv"
    command = ["python", "st1_download_pubchem.py", str(aid), "--output", output_file]
    print(f"Running: {' '.join(command)}")
    subprocess.run(command)