[
  {
    "molid": "mol7385",
    "smiles": "Cc1ccc[n+](-c2nc(O)nc(O)c2[N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc[n+](-c2nc([O-])nc(O)c2[N+](=O)[O-])c1",
        "std_free_energy": -3.347461223602295,
        "relative_population": 0.3747438816549862
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc[n+](-c2nc(O)nc([O-])c2[N+](=O)[O-])c1",
        "std_free_energy": -3.859379768371582,
        "relative_population": 0.6252561183450138
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc[n+](-c2nc(O)nc(O)c2[N+](=O)[O-])c1",
        "std_free_energy": 8.389336585998535,
        "relative_population": 0.9959868526513236
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]