[
  {
    "molid": "mol10898",
    "smiles": "CCOC(=O)c1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1ccc(O)c(O)c1",
        "std_free_energy": -5.976860046386719,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1ccc([O-])c(O)c1",
        "std_free_energy": -1.8250564336776733,
        "relative_population": 0.6401304723799167
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)c1ccc(O)c([O-])c1",
        "std_free_energy": -1.2491259574890137,
        "relative_population": 0.3598695276200834
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCOC(=O)c1ccc([O-])c([O-])c1",
        "std_free_energy": 9.945427894592285,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.65,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]