[
  {
    "molid": "mol9181",
    "smiles": "Cc1n[nH]c(N)nc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c(N)nc1=O",
        "std_free_energy": -6.998381614685059,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1n[nH]c([NH3+])nc1=O",
        "std_free_energy": 0.21535688638687134,
        "relative_population": 0.31293265840431117
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1n[nH]c(N)[nH+]c1=O",
        "std_free_energy": -0.09085434675216675,
        "relative_population": 0.4250467877392556
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1[nH+][nH]c(N)nc1=O",
        "std_free_energy": 0.39292195439338684,
        "relative_population": 0.2620205538564333
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.19,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]