[
  {
    "molid": "mol9403",
    "smiles": "Cc1nn(C)c(N)nc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nn(C)c(N)nc1=O",
        "std_free_energy": -6.889026641845703,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]n(C)c(N)nc1=O",
        "std_free_energy": -0.23751512169837952,
        "relative_population": 0.2581539207127773
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nn(C)c([NH3+])nc1=O",
        "std_free_energy": -0.41218823194503784,
        "relative_population": 0.30742437104892006
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nn(C)c(N)[nH+]c1=O",
        "std_free_energy": -0.7579748630523682,
        "relative_population": 0.43442170823830273
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]