[
  {
    "molid": "mol29349",
    "smiles": "CC(/N=C/c1ccncc1O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H](/[NH+]=C/c1ccncc1O)C(=O)[O-]",
        "std_free_energy": -8.595450401306152,
        "relative_population": 0.880581777962894
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "C[C@H](/N=C/c1cc[nH+]cc1O)C(=O)[O-]",
        "std_free_energy": -6.485422611236572,
        "relative_population": 0.10675697721346403
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H](/[NH+]=C/c1ccncc1O)C(=O)O",
        "std_free_energy": 2.0296471118927,
        "relative_population": 0.10766250613757394
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H](/N=C/c1cc[nH+]cc1O)C(=O)O",
        "std_free_energy": 1.6393252611160278,
        "relative_population": 0.1590666412706968
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@H](/[NH+]=C/c1cc[nH+]cc1O)C(=O)[O-]",
        "std_free_energy": 0.1639299988746643,
        "relative_population": 0.6955608538887568
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]