[
  {
    "molid": "mol32465",
    "smiles": "CN(C)C=Nc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C=[NH+]c1ccccc1[O-]",
        "std_free_energy": -4.4276299476623535,
        "relative_population": 0.36544728024829637
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)C=Nc1ccccc1O",
        "std_free_energy": -4.979428291320801,
        "relative_population": 0.6345527197517036
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C=[NH+]c1ccccc1O",
        "std_free_energy": -7.49262809753418,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)C=Nc1ccccc1[O-]",
        "std_free_energy": 4.941084384918213,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.4099998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.40999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]