[
  {
    "molid": "mol29317",
    "smiles": "CNC(CC(N)=O)C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN[C@@H](CC(N)=O)C(N)=O",
        "std_free_energy": -5.751532554626465,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+][C@@H](CC(N)=O)C(N)=O",
        "std_free_energy": -8.306288719177246,
        "relative_population": 0.9995410564813593
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.02,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]