[
  {
    "molid": "mol38153",
    "smiles": "CC(C)(C)N(C(=O)c1cccnc1)C1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)N(C(=O)c1cccnc1)C1CCCCC1",
        "std_free_energy": -6.408767223358154,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)N(C(=[OH+])c1cccnc1)C1CCCCC1",
        "std_free_energy": 1.0845838785171509,
        "relative_population": 0.2143352161188389
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(C)N(C(=O)c1ccc[nH+]c1)C1CCCCC1",
        "std_free_energy": -0.2144051194190979,
        "relative_population": 0.785664783881161
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]