[
  {
    "molid": "mol11892",
    "smiles": "Cc1cc(CN(C)C)c(O)c(CN(C)C)c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(CN(C)C)c(O)c(C[NH+](C)C)c1",
        "std_free_energy": -9.668368339538574,
        "relative_population": 0.982874075761828
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1",
        "std_free_energy": -8.983304977416992,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.45,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.4499998,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.44999980926514,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]