[
  {
    "molid": "mol24573",
    "smiles": "Cc1ccc(C2(F)CC2N)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc([C@@]2(F)C[C@@H]2N)cc1",
        "std_free_energy": -4.504237174987793,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc([C@@]2(F)C[C@@H]2[NH3+])cc1",
        "std_free_energy": -5.78678035736084,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.213333333,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]