[
  {
    "molid": "mol34172",
    "smiles": "CN(c1ccccc1)S(N)(=O)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(c1ccccc1)S(N)(=O)=O",
        "std_free_energy": -6.686016082763672,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(c1ccccc1)S([NH-])(=O)=O",
        "std_free_energy": -0.3279098868370056,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.3400001525879,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]