[
  {
    "molid": "mol11075",
    "smiles": "CN(C)Cc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)Cc1ccc(O)cc1",
        "std_free_energy": -2.6231815814971924,
        "relative_population": 0.3422443329255411
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1ccc([O-])cc1",
        "std_free_energy": -3.2764902114868164,
        "relative_population": 0.6577556670744589
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1ccc(O)cc1",
        "std_free_energy": -9.487955093383789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.83,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.8299999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.82999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]