[
  {
    "molid": "mol37105",
    "smiles": "O=S(=O)(O)c1cc(N=NO)cc2c(S(=O)(=O)O)cccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(N=NO)cc2c(S(=O)(=O)O)cccc12",
        "std_free_energy": -1.6982395648956299,
        "relative_population": 0.60481267657552
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cccc2c(S(=O)(=O)O)cc(N=NO)cc12",
        "std_free_energy": -1.1726231575012207,
        "relative_population": 0.3575597128715339
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(N=NO)cc2c(S(=O)(=O)[O-])cccc12",
        "std_free_energy": -12.583020210266113,
        "relative_population": 0.9849616221883559
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.11999988555908,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]