[
  {
    "molid": "mol12112",
    "smiles": "O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)cc1",
        "std_free_energy": -8.505428314208984,
        "relative_population": 0.9981404039123143
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(N=Nc2c([O-])ccc3ccccc23)cc1",
        "std_free_energy": -3.472980499267578,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]