[
  {
    "molid": "mol29414",
    "smiles": "CCC(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(=O)NCC(=O)O",
        "std_free_energy": -3.3330764770507812,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(=O)NCC(=O)[O-]",
        "std_free_energy": -10.25551700592041,
        "relative_population": 0.9999844792791588
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.72000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]