[
  {
    "molid": "mol9013",
    "smiles": "O=c1[nH]c(O)c([N+](=O)[O-])c(=O)[nH]1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[nH]c([O-])c([N+](=O)[O-])c(=O)[nH]1",
        "std_free_energy": -7.466646194458008,
        "relative_population": 0.6067163051139723
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c([N+](=O)[O-])c(O)[nH]1",
        "std_free_energy": -6.395112037658691,
        "relative_population": 0.20778983346902744
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=c1[n-]c(O)c([N+](=O)[O-])c(=O)[nH]1",
        "std_free_energy": -6.281606674194336,
        "relative_population": 0.18549386141700022
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1[n-]c([O-])c([N+](=O)[O-])c(=O)[nH]1",
        "std_free_energy": -4.2096171379089355,
        "relative_population": 0.9981385041128953
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]