[
  {
    "molid": "mol2920",
    "smiles": "Cc1ccc2nc(N)ccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2nc(N)ccc2c1",
        "std_free_energy": -4.893875598907471,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2nc([NH3+])ccc2c1",
        "std_free_energy": -3.9809536933898926,
        "relative_population": 0.21791485357239462
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc2[nH+]c(N)ccc2c1",
        "std_free_energy": -5.25881290435791,
        "relative_population": 0.7820851464276053
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]