[
  {
    "molid": "mol20125",
    "smiles": "NC(/C=C\\F)CCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](/C=C\\F)CCC(=O)[O-]",
        "std_free_energy": -10.135116577148438,
        "relative_population": 0.9997686886172146
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@@H](/C=C\\F)CCC(=O)[O-]",
        "std_free_energy": -4.776101112365723,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]