[
  {
    "molid": "mol29535",
    "smiles": "CCC1(CC)C(=O)CCNC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC1(CC)C(=O)CCNC1=O",
        "std_free_energy": -6.893999099731445,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC1(CC)C(=O)CC[N-]C1=O",
        "std_free_energy": 7.171093463897705,
        "relative_population": 0.21941377381419727
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCC1(CC)C(=O)[CH-]CNC1=O",
        "std_free_energy": 5.902007579803467,
        "relative_population": 0.7805862261858028
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]