[
  {
    "molid": "mol34249",
    "smiles": "CN(C)c1ccc(C=Nc2ccccc2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(C=[NH+]c2ccccc2C(=O)[O-])cc1",
        "std_free_energy": -1.3307740688323975,
        "relative_population": 0.5686554666821194
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1ccc(C=[NH+]c2ccccc2C(=O)O)cc1",
        "std_free_energy": -0.5998646020889282,
        "relative_population": 0.2737910645255053
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(C=Nc2ccccc2C(=O)O)cc1",
        "std_free_energy": 0.001484692096710205,
        "relative_population": 0.15005711422037854
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)c1ccc(C=[NH+]c2ccccc2C(=O)O)cc1",
        "std_free_energy": 7.119324207305908,
        "relative_population": 0.9999973127406561
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.07999992370605,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]