[
  {
    "molid": "mol812",
    "smiles": "O=C(O)c1cc(/N=N/c2ccccc2)ccc1O",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "O=C(O)c1cc(/N=N/c2ccccc2)ccc1O",
        "std_free_energy": -2.6661148071289062,
        "relative_population": 0.981877654743297
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(/N=N/c2ccccc2)ccc1O",
        "std_free_energy": -11.780862808227539,
        "relative_population": 0.9997881147611613
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]