[
  {
    "molid": "mol33853",
    "smiles": "COc1ccc2[nH]cc(CC(=O)O)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2[nH]cc(CC(=O)O)c2c1",
        "std_free_energy": -4.734802722930908,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1ccc2[nH]cc(CC(=O)[O-])c2c1",
        "std_free_energy": -9.605212211608887,
        "relative_population": 0.9999999683098385
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]