[
  {
    "molid": "mol1469",
    "smiles": "C=CC(C)(C)NC(C)(C)C=C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CC(C)(C)NC(C)(C)C=C",
        "std_free_energy": -0.6943408250808716,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C=CC(C)(C)[NH2+]C(C)(C)C=C",
        "std_free_energy": -9.436532974243164,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]