[
  {
    "molid": "mol34979",
    "smiles": "CCC(=O)N(c1ccccn1)C(C)CN1CC2CCC2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(=O)N(c1ccccn1)[C@H](C)CN1C[C@H]2CC[C@H]2C1",
        "std_free_energy": -4.7757463455200195,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC(=O)N(c1ccccn1)[C@H](C)C[NH+]1C[C@H]2CC[C@H]2C1",
        "std_free_energy": -8.660490989685059,
        "relative_population": 0.989215161902629
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]