[
  {
    "molid": "mol22979",
    "smiles": "CC(=O)Nc1cc(C(=O)O)ccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1cc(C(=O)O)ccc1C(=O)O",
        "std_free_energy": -1.4921200275421143,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1cc(C(=O)O)ccc1C(=O)[O-]",
        "std_free_energy": -8.729838371276855,
        "relative_population": 0.450091931240517
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)Nc1cc(C(=O)[O-])ccc1C(=O)O",
        "std_free_energy": -8.930137634277344,
        "relative_population": 0.549908068759483
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.055,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]