[
  {
    "molid": "mol29308",
    "smiles": "NC(=O)CNCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)C[NH2+]CC(=O)[O-]",
        "std_free_energy": -11.433173179626465,
        "relative_population": 0.9996458144524302
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)CNCC(=O)[O-]",
        "std_free_energy": -9.2431058883667,
        "relative_population": 0.9999996367659143
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]