[
  {
    "molid": "mol36713",
    "smiles": "O=C(O)c1cccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])c1cccc(N=Nc2c([O-])ccc3cc(S(=O)(=O)[O-])ccc23)c1",
        "std_free_energy": -4.2545599937438965,
        "relative_population": 1.0
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])c1cccc(N=Nc2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)c1",
        "std_free_energy": -10.822826385498047,
        "relative_population": 0.9955852316767856
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]