[
  {
    "molid": "mol30881",
    "smiles": "COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O",
        "std_free_energy": -5.039323806762695,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(O)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O",
        "std_free_energy": -2.1508524417877197,
        "relative_population": 0.3972938621646219
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc([O-])c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O",
        "std_free_energy": -2.567605972290039,
        "relative_population": 0.602706137835378
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]