[
  {
    "molid": "mol15338",
    "smiles": "O=C([CH-]c1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([CH-]c1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1",
        "std_free_energy": 0.16617760062217712,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(Cc1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1",
        "std_free_energy": -5.182239532470703,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6800003,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]