[
  {
    "molid": "mol29428",
    "smiles": "CCC(NC(=O)CN)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](NC(=O)C[NH3+])C(=O)[O-]",
        "std_free_energy": -11.482353210449219,
        "relative_population": 0.9999655677651428
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H](NC(=O)CN)C(=O)[O-]",
        "std_free_energy": -7.451448917388916,
        "relative_population": 0.9999876354556144
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.41,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]