[
  {
    "molid": "mol8343",
    "smiles": "Cn1nnc2ncnc(N)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nnc2ncnc(N)c21",
        "std_free_energy": -7.380146026611328,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1n[nH+]c2ncnc(N)c21",
        "std_free_energy": 2.4005329608917236,
        "relative_population": 0.14569091100238413
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1[nH+]nc2ncnc(N)c21",
        "std_free_energy": 1.9746363162994385,
        "relative_population": 0.22304732624512083
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1nnc2[nH+]cnc(N)c21",
        "std_free_energy": 1.6230111122131348,
        "relative_population": 0.31703404904450927
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cn1nnc2ncnc([NH3+])c21",
        "std_free_energy": 2.9669859409332275,
        "relative_population": 0.08268468104504732
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Cn1nnc2nc[nH+]c(N)c21",
        "std_free_energy": 1.937254548072815,
        "relative_population": 0.23154303266293846
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]