[
  {
    "molid": "mol8490",
    "smiles": "N#CCCNCCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N#CCC[NH2+]CCC(=O)[O-]",
        "std_free_energy": -10.074885368347168,
        "relative_population": 0.9979010461973071
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#CCCNCCC(=O)[O-]",
        "std_free_energy": -7.7778143882751465,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]