[
  {
    "molid": "mol29682",
    "smiles": "COc1ccc(O)c2c(=O)c3cc(O)ccc3oc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(O)c2c(=O)c3cc([O-])ccc3oc12",
        "std_free_energy": -1.2190145254135132,
        "relative_population": 0.32162456487164376
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc([O-])c2c(=O)c3cc(O)ccc3oc12",
        "std_free_energy": -1.9653304815292358,
        "relative_population": 0.6783754351283563
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc([O-])c2c(=O)c3cc([O-])ccc3oc12",
        "std_free_energy": 8.058014869689941,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.13,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]