[
  {
    "molid": "mol31004",
    "smiles": "O=C(O)c1cc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)ccc1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])c1cc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2)ccc1[O-]",
        "std_free_energy": -1.9788861274719238,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2)ccc1O",
        "std_free_energy": -12.924393653869629,
        "relative_population": 0.9998564622966729
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.495,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]