[
  {
    "molid": "mol23379",
    "smiles": "CN(C)c1ccc(/C=C/C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc(/C=C/C(=O)[O-])cc1",
        "std_free_energy": -6.037836074829102,
        "relative_population": 0.7983937044531109
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/C=C/C(=O)O)cc1",
        "std_free_energy": -4.661550998687744,
        "relative_population": 0.20160629554688914
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc(/C=C/C(=O)[O-])cc1",
        "std_free_energy": -8.683828353881836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.83,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]