[
  {
    "molid": "mol5284",
    "smiles": "Nc1ccc(S(=O)(=O)O)c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(S(=O)(=O)O)c2ccccc12",
        "std_free_energy": -1.6340856552124023,
        "relative_population": 0.9558109436224845
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)[O-])c2ccccc12",
        "std_free_energy": -10.303709030151367,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.81,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]