[
  {
    "molid": "mol34864",
    "smiles": "COc1ccccc1N(CCC(=O)O)CCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)O",
        "std_free_energy": -5.315869331359863,
        "relative_population": 0.9667570054059108
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)[O-]",
        "std_free_energy": -12.299493789672852,
        "relative_population": 0.9924532802808401
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccccc1N(CCC(=O)[O-])CCC(=O)[O-]",
        "std_free_energy": -6.630902290344238,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.15000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.57999992370606,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]