[
  {
    "molid": "mol31164",
    "smiles": "O=c1ccccc(S)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=c1ccccc(S)c1O",
        "std_free_energy": -3.6000471115112305,
        "relative_population": 0.996534219026564
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccccc([S-])c1O",
        "std_free_energy": -5.747375965118408,
        "relative_population": 0.8365364329178834
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1ccccc(S)c1[O-]",
        "std_free_energy": -4.114696025848389,
        "relative_population": 0.1634635670821166
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]