[
  {
    "molid": "mol9611",
    "smiles": "O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]",
        "std_free_energy": 3.2658286094665527,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C(O)=C([N+](=O)[O-])C(=O)C([O-])=C1[N+](=O)[O-]",
        "std_free_energy": -7.820474624633789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -2.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": -0.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]