[
  {
    "molid": "mol26320",
    "smiles": "CN(C)c1nc(-c2ccccc2)nc2c(O)cccc12",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CN(C)c1nc(-c2ccccc2)nc2c(O)cccc12",
        "std_free_energy": -6.021875381469727,
        "relative_population": 0.9863934927141313
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1nc(-c2ccccc2)nc2c([O-])cccc12",
        "std_free_energy": 0.5495997071266174,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.34000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]