[
  {
    "molid": "mol28263",
    "smiles": "Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": -1.1872241497039795,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[S-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": -8.645058631896973,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]