[
  {
    "molid": "mol26068",
    "smiles": "[O-][n+]1cccc2c(NO)cccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][n+]1cccc2c(NO)cccc21",
        "std_free_energy": -7.391329288482666,
        "relative_population": 0.9999985425582433
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][n+]1cccc2c([N-]O)cccc21",
        "std_free_energy": 0.9283300638198853,
        "relative_population": 0.2716384029975454
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]Nc1cccc2c1ccc[n+]2[O-]",
        "std_free_energy": -0.05755256861448288,
        "relative_population": 0.7280388510130829
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]