[
  {
    "molid": "mol376",
    "smiles": "Nc1cc(-c2ccccc2)nc2ccc(Cl)cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc(-c2ccccc2)nc2ccc(Cl)cc12",
        "std_free_energy": -5.002037525177002,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc(-c2ccccc2)[nH+]c2ccc(Cl)cc12",
        "std_free_energy": -6.493875980377197,
        "relative_population": 0.4917766119092957
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cc(-c2ccccc2)nc2ccc(Cl)cc12",
        "std_free_energy": -6.526772499084473,
        "relative_population": 0.5082233880907043
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]