[
  {
    "molid": "mol17312",
    "smiles": "NS(=O)(=O)c1nn2c(=O)[nH]c(=O)nc2s1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]S(=O)(=O)c1nn2c(=O)[nH]c(=O)nc2s1",
        "std_free_energy": -3.4254560470581055,
        "relative_population": 0.067031591236736
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NS(=O)(=O)c1nn2c(=O)[n-]c(=O)nc2s1",
        "std_free_energy": -6.058663368225098,
        "relative_population": 0.932968408763264
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[NH-]S(=O)(=O)c1nn2c(=O)[n-]c(=O)nc2s1",
        "std_free_energy": 3.0690410137176514,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]