[
  {
    "molid": "mol30809",
    "smiles": "Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O",
        "std_free_energy": -4.830296039581299,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)c2c(c1)C(=O)c1cccc([O-])c1C2=O",
        "std_free_energy": -2.724046468734741,
        "relative_population": 0.544094689949142
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O",
        "std_free_energy": -2.547208309173584,
        "relative_population": 0.4559053100508581
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]