[
  {
    "molid": "mol14913",
    "smiles": "Cc1ccnc(/N=C/c2ccc([N+](=O)[O-])cc2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccnc(/N=C/c2ccc([N+](=O)[O-])cc2)n1",
        "std_free_energy": -7.145951747894287,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccnc(/N=C/c2ccc([N+](=O)[O-])cc2)[nH+]1",
        "std_free_energy": 0.05990400165319443,
        "relative_population": 0.4517037602187452
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccnc(/[NH+]=C/c2ccc([N+](=O)[O-])cc2)n1",
        "std_free_energy": 0.7976144552230835,
        "relative_population": 0.21600814464200022
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc[nH+]c(/N=C/c2ccc([N+](=O)[O-])cc2)n1",
        "std_free_energy": 0.36692821979522705,
        "relative_population": 0.3322880951392546
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]