[
  {
    "molid": "mol2801",
    "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1",
        "std_free_energy": -3.779301881790161,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1",
        "std_free_energy": -8.524791717529297,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]