[
  {
    "molid": "SAMPL8-5",
    "smiles": "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]",
        "std_free_energy": -10.059436798095703,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]",
        "std_free_energy": -4.06294059753418,
        "relative_population": 0.9995564396205184
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "SAMPL8"
      }
    ]
  }
]