[
  {
    "molid": "mol9784",
    "smiles": "CC1(C)CNC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CNC(=O)NC1=O",
        "std_free_energy": -7.141196250915527,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)C[N-]C(=O)NC1=O",
        "std_free_energy": 3.2549235820770264,
        "relative_population": 0.7629986036620287
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)CNC(=O)[N-]C1=O",
        "std_free_energy": 4.424113750457764,
        "relative_population": 0.23700139633797135
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]