[
  {
    "molid": "mol14579",
    "smiles": "C[n+]1ccccc1/C=C/c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccccc1/C=C/c1ccc([O-])cc1",
        "std_free_energy": -1.8707263469696045,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccccc1/C=C/c1ccc(O)cc1",
        "std_free_energy": -6.276419639587402,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.3999996,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]