[
  {
    "molid": "SM40",
    "smiles": "CN(C)S(=O)(=O)NC1(CCc2ccccc2)CS(=O)(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)S(=O)(=O)NC1(CCc2ccccc2)CS(=O)(=O)C1",
        "std_free_energy": -6.122766494750977,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)S(=O)(=O)[N-]C1(CCc2ccccc2)CS(=O)(=O)C1",
        "std_free_energy": -0.8514310121536255,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL7"
      }
    ]
  }
]