[
  {
    "molid": "mol35368",
    "smiles": "CCCCCCN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCC[NH+](CC(=O)[O-])CC(=O)O",
        "std_free_energy": -6.2449631690979,
        "relative_population": 0.9938082885324508
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -14.331704139709473,
        "relative_population": 0.9984926267764668
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCCCCN(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -5.770824432373047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.54999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.7799997329712,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]