[
  {
    "molid": "mol36008",
    "smiles": "O=C(O)CC(Oc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@@H](Oc1ccccc1)C(=O)O",
        "std_free_energy": -1.1794991493225098,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[C@@H](Oc1ccccc1)C(=O)O",
        "std_free_energy": -8.59005069732666,
        "relative_population": 0.22218100465928795
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(O)C[C@@H](Oc1ccccc1)C(=O)[O-]",
        "std_free_energy": -9.842939376831055,
        "relative_population": 0.7777312795463246
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]