[
  {
    "molid": "mol24148",
    "smiles": "CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1",
        "std_free_energy": -6.1840362548828125,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[n+]1c(/C=C/c2ccc([NH+](C)C)cc2)ccc2ccccc21",
        "std_free_energy": 1.8774712085723877,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.97,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]