[
  {
    "molid": "mol9655",
    "smiles": "O=[N+]([O-])c1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(O)cc1O",
        "std_free_energy": -4.081252574920654,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(O)cc1[O-]",
        "std_free_energy": -3.9325098991394043,
        "relative_population": 0.48394600236827534
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc([O-])cc1O",
        "std_free_energy": -3.9967479705810547,
        "relative_population": 0.5160539976317247
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1ccc([O-])cc1[O-]",
        "std_free_energy": 4.1132001876831055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.37,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]