[
  {
    "molid": "mol36419",
    "smiles": "CN(C)c1ccncc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cc[nH+]cc1C(=O)[O-]",
        "std_free_energy": -11.897618293762207,
        "relative_population": 0.7733424785189885
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccncc1C(=O)[O-]",
        "std_free_energy": -10.667581558227539,
        "relative_population": 0.22603396284542335
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccncc1C(=O)[O-]",
        "std_free_energy": -5.491817951202393,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.39999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]