[
  {
    "molid": "mol6726",
    "smiles": "Clc1noc(-c2ccccc2)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1noc(-c2ccccc2)c1Cl",
        "std_free_energy": -5.844032287597656,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1[nH+]oc(-c2ccccc2)c1Cl",
        "std_free_energy": 11.718421936035156,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -7.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]