[
  {
    "molid": "mol20126",
    "smiles": "C=C(F)C(N)CCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C=C(F)[C@H]([NH3+])CCC(=O)[O-]",
        "std_free_energy": -7.4925432205200195,
        "relative_population": 0.9915393514751683
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C(F)[C@H](N)CCC(=O)[O-]",
        "std_free_energy": -6.745080947875977,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]