[
  {
    "molid": "mol37876",
    "smiles": "CC(=O)Oc1ccc(S(=O)(=O)O)c2cccnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Oc1ccc(S(=O)(=O)O)c2cccnc12",
        "std_free_energy": -1.4549179077148438,
        "relative_population": 0.6196649180286502
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)Oc1ccc(S(=O)(=O)[O-])c2ccc[nH+]c12",
        "std_free_energy": -0.9667916893959045,
        "relative_population": 0.38033508197134985
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Oc1ccc(S(=O)(=O)[O-])c2cccnc12",
        "std_free_energy": -10.626860618591309,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]