[
  {
    "molid": "mol12198",
    "smiles": "COC(=O)C1C(C(=O)O)C1(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)[C@H]1[C@H](C(=O)O)C1(c1ccccc1)c1ccccc1",
        "std_free_energy": -3.3840441703796387,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)[C@H]1[C@H](C(=O)[O-])C1(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.545226097106934,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.17,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]