[
  {
    "molid": "mol13379",
    "smiles": "Clc1ccc(-c2ccc(Cl)cn2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(-c2ccc(Cl)cn2)nc1",
        "std_free_energy": -6.143827438354492,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc(-c2ccc(Cl)c[nH+]2)nc1",
        "std_free_energy": -0.1953248232603073,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.96,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]