[
  {
    "molid": "mol12182",
    "smiles": "COc1cccc(N=Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)c1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1cccc(N=Nc2ccc(O)c3ccc(S(=O)(=O)[O-])cc23)c1",
        "std_free_energy": -7.060139179229736,
        "relative_population": 0.9940283604856425
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cccc(N=Nc2ccc([O-])c3ccc(S(=O)(=O)[O-])cc23)c1",
        "std_free_energy": -3.3910083770751953,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.45,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]