[
  {
    "molid": "mol25233",
    "smiles": "N#[N+]c1nnn[nH]1",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "N#[N+]c1[nH]nn[nH+]1",
        "std_free_energy": 20.64105224609375,
        "relative_population": 0.27186593930806996
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "N#[N+]c1n[nH+]n[nH]1",
        "std_free_energy": 20.627742767333984,
        "relative_population": 0.2755085199062685
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "N#[N+]c1nn[nH+][nH]1",
        "std_free_energy": 20.131296157836914,
        "relative_population": 0.4526255407856616
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "N#[N+]c1[nH]n[nH+][nH+]1",
        "std_free_energy": 20.28485679626465,
        "relative_population": 0.2910645204359677
      },
      {
        "id": "3_2",
        "charge": 3,
        "smiles": "N#[N+]c1n[nH+][nH+][nH]1",
        "std_free_energy": 19.940563201904297,
        "relative_population": 0.4106899526366892
      },
      {
        "id": "3_3",
        "charge": 3,
        "smiles": "N#[N+]c1[nH][nH+]n[nH+]1",
        "std_free_energy": 20.26048469543457,
        "relative_population": 0.29824552692734324
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -5.2,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]