[
  {
    "molid": "mol25534",
    "smiles": "c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1",
        "std_free_energy": -7.133232116699219,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-c2cc(-c3ccccc3)[nH+][nH]2)cc1",
        "std_free_energy": 2.5950608253479004,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1",
        "std_free_energy": 7.154277801513672,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.03,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 1.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]