[
  {
    "molid": "mol34768",
    "smiles": "CC(CN(C)C)N=C(c1ccccc1O)c1ccccc1O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H](C[NH+](C)C)N=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": -9.128528594970703,
        "relative_population": 0.8992069177188526
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H](CN(C)C)[NH+]=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": -6.938510894775391,
        "relative_population": 0.10063453329864505
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@H](C[NH+](C)C)[NH+]=C(c1ccccc1O)c1ccccc1O",
        "std_free_energy": 0.26588475704193115,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]