[
  {
    "molid": "mol11564",
    "smiles": "CC1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O",
        "std_free_energy": -6.079629421234131,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)[N-]C1=O",
        "std_free_energy": -0.7411290407180786,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.48,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]