[
  {
    "molid": "mol455",
    "smiles": "SCc1ccccn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "SCc1ccccn1",
        "std_free_energy": -6.076396942138672,
        "relative_population": 0.9842563004069036
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[S-]Cc1ccccn1",
        "std_free_energy": 1.2123515605926514,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]