[
  {
    "molid": "mol12710",
    "smiles": "Cc1n[nH]c(C(=O)O)c1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1n[nH]c(C(=O)O)c1[N+](=O)[O-]",
        "std_free_energy": -1.9667201042175293,
        "relative_population": 0.999976149534129
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1n[nH]c(C(=O)[O-])c1[N+](=O)[O-]",
        "std_free_energy": -11.946577072143555,
        "relative_population": 0.9998101164458657
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.25999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]