[
  {
    "molid": "mol25590",
    "smiles": "Cc1c(Br)c(O)n(-c2ccccc2)[n+]1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(Br)c([O-])n(-c2ccccc2)[n+]1C",
        "std_free_energy": -5.317032814025879,
        "relative_population": 0.9999544090037144
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(Br)c(O)n(-c2ccccc2)[n+]1C",
        "std_free_energy": 8.058616638183594,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.42,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]