[
  {
    "molid": "mol30305",
    "smiles": "CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21",
        "std_free_energy": -4.765763282775879,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1CC[NH+]=C(c2ccccc2)c2cc(Cl)ccc21",
        "std_free_energy": -5.011178493499756,
        "relative_population": 0.960102204127726
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.016666667,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]