[
  {
    "molid": "mol12138",
    "smiles": "O=S(=O)(O)c1cccc2ccc(O)c(N=Nc3ccc(Cl)cc3)c12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cccc2ccc(O)c(N=Nc3ccc(Cl)cc3)c12",
        "std_free_energy": -8.363753318786621,
        "relative_population": 0.9900847695529874
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cccc2ccc([O-])c(N=Nc3ccc(Cl)cc3)c12",
        "std_free_energy": -3.5703518390655518,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]