[
  {
    "molid": "mol16707",
    "smiles": "COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cn1",
        "std_free_energy": -5.784093379974365,
        "relative_population": 0.9547209311303102
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)c[nH+]1",
        "std_free_energy": 3.472842216491699,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]