[
  {
    "molid": "mol25325",
    "smiles": "O=[N+]([O-])c1n[nH]c(O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1n[nH]c(O)n1",
        "std_free_energy": -1.2948532104492188,
        "relative_population": 0.9999868622090748
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1n[nH]c([O-])n1",
        "std_free_energy": -9.076294898986816,
        "relative_population": 0.6217721671016205
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1n[n-]c(O)n1",
        "std_free_energy": -8.579217910766602,
        "relative_population": 0.37822783289837947
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.63,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]