[
  {
    "molid": "mol29452",
    "smiles": "C=COc1ccc(NC(=O)CCC(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=COc1ccc(NC(=O)CCC(=O)O)cc1",
        "std_free_energy": -4.344705581665039,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C=COc1ccc(NC(=O)CCC(=O)[O-])cc1",
        "std_free_energy": -9.095012664794922,
        "relative_population": 0.9999890413761905
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]