[
  {
    "molid": "mol25073",
    "smiles": "CC(=O)Nc1cccc[n+]1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)[N-]c1cccc[n+]1C",
        "std_free_energy": -4.5236029624938965,
        "relative_population": 0.9998373251080538
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)Nc1cccc[n+]1C",
        "std_free_energy": -5.862541675567627,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]