[
  {
    "molid": "mol10844",
    "smiles": "O=C(O)Cc1ccccc(O)c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)Cc1ccccc(O)c1=O",
        "std_free_energy": -3.3540663719177246,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccccc(O)c1=O",
        "std_free_energy": -9.067854881286621,
        "relative_population": 0.9986916357578196
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])Cc1ccccc([O-])c1=O",
        "std_free_energy": -3.2086384296417236,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.77,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]