[
  {
    "molid": "mol8499",
    "smiles": "NOC(C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]O[C@@H](C(=O)[O-])c1ccccc1",
        "std_free_energy": -3.818840265274048,
        "relative_population": 0.7658017891686898
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NO[C@@H](C(=O)O)c1ccccc1",
        "std_free_energy": -2.634084701538086,
        "relative_population": 0.23419821083131026
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NO[C@@H](C(=O)[O-])c1ccccc1",
        "std_free_energy": -10.280393600463867,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.03,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]