[
  {
    "molid": "mol21694",
    "smiles": "Oc1ccc(CS)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(CS)cc1",
        "std_free_energy": -7.034010887145996,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(CS)cc1",
        "std_free_energy": -0.14913183450698853,
        "relative_population": 0.45194496335670614
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1ccc(C[S-])cc1",
        "std_free_energy": -0.34194713830947876,
        "relative_population": 0.5480550366432937
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.53,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]