[
  {
    "molid": "mol7352",
    "smiles": "Cc1nc(=N)n(C)c(C)c1-c1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(=N)n(C)c(C)c1-c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -2.3873038291931152,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(=[NH2+])n(C)c(C)c1-c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -8.758157730102539,
        "relative_population": 0.7413635434981568
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+]c(=N)n(C)c(C)c1-c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -7.705090045928955,
        "relative_population": 0.25863645650184314
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]