[
  {
    "molid": "mol13131",
    "smiles": "CCCCNCCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCC[NH2+]CCC(=O)[O-]",
        "std_free_energy": -12.158500671386719,
        "relative_population": 0.9999934520665761
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCC[NH2+]CCC(=O)O",
        "std_free_energy": -5.200038909912109,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCNCCC(=O)[O-]",
        "std_free_energy": -3.1784884929656982,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.5699999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]