[
  {
    "molid": "mol6068",
    "smiles": "NC1(F)C=C(F)C(F)=C(F)C1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[C@@]1(F)C=C(F)C(F)=C(F)[C@@H]1F",
        "std_free_energy": -5.958839416503906,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@@]1(F)C=C(F)C(F)=C(F)[C@@H]1F",
        "std_free_energy": 3.2943308353424072,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.28,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]