[
  {
    "molid": "mol31724",
    "smiles": "N[C@H](CC(F)(F)F)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](CC(F)(F)F)C(=O)[O-]",
        "std_free_energy": -11.388137817382812,
        "relative_population": 0.9999626696008037
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@H](CC(F)(F)F)C(=O)O",
        "std_free_energy": -0.8714438676834106,
        "relative_population": 0.9992364276846526
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@H](CC(F)(F)F)C(=O)[O-]",
        "std_free_energy": -7.627188205718994,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.17,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]