[
  {
    "molid": "mol33229",
    "smiles": "O=[SH](=O)c1cc(O)c2[nH]ncc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[SH](=O)c1cc(O)c2[nH]ncc2c1",
        "std_free_energy": -4.607964515686035,
        "relative_population": 0.9999998515340319
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[SH](=O)c1cc([O-])c2[nH]ncc2c1",
        "std_free_energy": -2.980217456817627,
        "relative_population": 0.7619156567954743
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[SH](=O)c1cc(O)c2[n-]ncc2c1",
        "std_free_energy": -1.8170065879821777,
        "relative_population": 0.23808434320452573
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]