[
  {
    "molid": "mol6560",
    "smiles": "Clc1cc(Cl)c(Cl)nc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1cc(Cl)c(Cl)nc1Cl",
        "std_free_energy": -6.312345027923584,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1cc(Cl)c(Cl)[nH+]c1Cl",
        "std_free_energy": 10.2801513671875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
      {
        "pka_value": -5.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]