[
  {
    "molid": "mol28035",
    "smiles": "C/N=C(/N(C)C)N(C)C(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/N=C(/N(C)C)N(C)C(C)=O",
        "std_free_energy": -3.3079452514648438,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C/[NH+]=C(/N(C)C)N(C)C(C)=O",
        "std_free_energy": -7.412648677825928,
        "relative_population": 0.9990118259849063
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]