[
  {
    "molid": "mol10393",
    "smiles": "O=C(O)c1ccc(O)c(=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(O)c(=O)cc1",
        "std_free_energy": -0.9223263263702393,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(O)c(=O)cc1",
        "std_free_energy": -8.461989402770996,
        "relative_population": 0.9713263016464719
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccc([O-])c(=O)cc1",
        "std_free_energy": -5.0531721115112305,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.41,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]