[
  {
    "molid": "mol28351",
    "smiles": "Cc1ccc(NS(=O)(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc([NH2+]S(=O)(=O)[O-])cc1",
        "std_free_energy": 2.933759927749634,
        "relative_population": 0.060372000380905615
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(NS(=O)(=O)O)cc1",
        "std_free_energy": 0.18880130350589752,
        "relative_population": 0.9396279996190944
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(NS(=O)(=O)[O-])cc1",
        "std_free_energy": -10.005207061767578,
        "relative_population": 0.9997799061504936
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]