[
  {
    "molid": "mol38435",
    "smiles": "CC(C)(C)N(C(=O)c1ccccn1)C1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)N(C(=O)c1ccccn1)C1CCCCC1",
        "std_free_energy": -6.931061744689941,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)N(C(=O)c1cccc[nH+]1)C1CCCCC1",
        "std_free_energy": 1.9656920433044434,
        "relative_population": 0.6441615514284569
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(C)N(C(=[OH+])c1ccccn1)C1CCCCC1",
        "std_free_energy": 2.5591647624969482,
        "relative_population": 0.3558384485715431
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.20000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]