[
  {
    "molid": "mol3030",
    "smiles": "O=c1ccc2nc3ccc(O)cc3oc-2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1ccc2nc3ccc(O)cc3oc-2c1",
        "std_free_energy": -5.031260967254639,
        "relative_population": 0.9999812371173217
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccc2nc3ccc([O-])cc3oc-2c1",
        "std_free_energy": -3.971461534500122,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      },
      {
        "pka_value": 6.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]