[
  {
    "molid": "mol28353",
    "smiles": "O=S(=O)(CF)Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(CF)Nc1ccccc1",
        "std_free_energy": -5.101776599884033,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([CH-]F)Nc1ccccc1",
        "std_free_energy": -0.9483196139335632,
        "relative_population": 0.0944646643577534
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)(CF)[N-]c1ccccc1",
        "std_free_energy": -3.208620071411133,
        "relative_population": 0.9055353356422465
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]