[
  {
    "molid": "mol592",
    "smiles": "CCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1N2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1N2",
        "std_free_energy": -3.6875064373016357,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)N1CCC2(CC1)Nc1cccc(Cl)c1C(N)=[NH+]2",
        "std_free_energy": -8.207584381103516,
        "relative_population": 0.9129446802411845
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1[NH2+]2",
        "std_free_energy": -5.857452869415283,
        "relative_population": 0.08705531975881552
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]