[
  {
    "molid": "SM19",
    "smiles": "CCOc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1",
        "std_free_energy": -6.651398658752441,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.56,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL6"
      }
    ]
  }
]