[
  {
    "molid": "mol1451",
    "smiles": "C=CC(C)(C)NC(C)(C)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CC(C)(C)NC(C)(C)CC",
        "std_free_energy": 0.11846835166215897,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C=CC(C)(C)[NH2+]C(C)(C)CC",
        "std_free_energy": -10.028594017028809,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.8000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]