[
  {
    "molid": "mol10421",
    "smiles": "COC(=O)c1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1ccc(O)cc1O",
        "std_free_energy": -5.551907539367676,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1ccc(O)cc1[O-]",
        "std_free_energy": -0.4023275077342987,
        "relative_population": 0.10145582633714066
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)c1ccc([O-])cc1O",
        "std_free_energy": -2.583479881286621,
        "relative_population": 0.8985441736628594
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COC(=O)c1ccc([O-])cc1[O-]",
        "std_free_energy": 9.137453079223633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.73,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]