[
  {
    "molid": "mol35043",
    "smiles": "C=CC(=O)NC(C)(C)CCN1CCNCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CC(=O)NC(C)(C)CCN1CCNCC1",
        "std_free_energy": -2.7681589126586914,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C=CC(=O)NC(C)(C)CC[NH+]1CCNCC1",
        "std_free_energy": -8.03479290008545,
        "relative_population": 0.34957458719459755
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C=CC(=O)NC(C)(C)CCN1CC[NH2+]CC1",
        "std_free_energy": -8.650900840759277,
        "relative_population": 0.6473097258660283
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.88000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]