[
  {
    "molid": "mol11120",
    "smiles": "NC(Cc1ccc(O)c(F)c1)C(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1ccc(O)c(F)c1)C(=O)[O-]",
        "std_free_energy": -11.715896606445312,
        "relative_population": 0.9999638772136209
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@H](Cc1ccc(O)c(F)c1)C(=O)[O-]",
        "std_free_energy": -6.222133159637451,
        "relative_population": 0.691667614533471
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH3+][C@H](Cc1ccc([O-])c(F)c1)C(=O)[O-]",
        "std_free_energy": -5.411480903625488,
        "relative_population": 0.3074932877009797
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]