[
  {
    "molid": "mol32402",
    "smiles": "NCCC=CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CCC=CC(=O)[O-]",
        "std_free_energy": -11.410378456115723,
        "relative_population": 0.9999826449958432
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]CCC=CC(=O)O",
        "std_free_energy": -4.895273208618164,
        "relative_population": 0.9965543151204207
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NCCC=CC(=O)[O-]",
        "std_free_energy": -3.43229341506958,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.9499998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.8299999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]