[
  {
    "molid": "mol28193",
    "smiles": "SCCCCCS",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[S-]CCCCCS",
        "std_free_energy": 0.6620805263519287,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[S-]CCCCC[S-]",
        "std_free_energy": 9.97348403930664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.8199996948242,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.82,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 13.27,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]