[
  {
    "molid": "mol29423",
    "smiles": "CCC(=O)ONCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCC(=O)O[NH2+]CC(=O)[O-]",
        "std_free_energy": -6.5222859382629395,
        "relative_population": 0.9774645138244755
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCC(=O)O[NH2+]CC(=O)O",
        "std_free_energy": 2.6910319328308105,
        "relative_population": 0.9611854848183702
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]