[
  {
    "molid": "mol13607",
    "smiles": "CC1(C)NC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)NC(=O)NC1=O",
        "std_free_energy": -6.679841995239258,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)[N-]C(=O)NC1=O",
        "std_free_energy": -0.0124083012342453,
        "relative_population": 0.43622160656850817
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)NC(=O)[N-]C1=O",
        "std_free_energy": -0.2689191699028015,
        "relative_population": 0.5637783934314919
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.1899996,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.1899995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]