[
  {
    "molid": "mol28404",
    "smiles": "O=S(=O)(O)Nc1cccc2ccccc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=S(=O)(O)Nc1cccc2ccccc12",
        "std_free_energy": -0.05288097262382507,
        "relative_population": 0.9943122068481499
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])Nc1cccc2ccccc12",
        "std_free_energy": -8.9533052444458,
        "relative_population": 0.9963516617237397
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]