[
  {
    "molid": "mol12154",
    "smiles": "O=C(O)[C@@H]1[C@H](C(=O)O)C12c1ccccc1-c1ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1[C@H](C(=O)O)C12c1ccccc1-c1ccccc12",
        "std_free_energy": -1.1052279472351074,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)[C@@H]1[C@H](C(=O)[O-])C12c1ccccc1-c1ccccc12",
        "std_free_energy": -9.12969970703125,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H]1[C@H](C(=O)[O-])C12c1ccccc1-c1ccccc12",
        "std_free_energy": -11.47186279296875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.91,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.66,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]