[
  {
    "molid": "mol18544",
    "smiles": "O=C(O)C(=C/C=C/c1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(=C/C=C/c1ccccc1)C(=O)O",
        "std_free_energy": -10.523797988891602,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C(=C/C=C/c1ccccc1)C(=O)[O-]",
        "std_free_energy": -11.322789192199707,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.45,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]