[
  {
    "molid": "mol2928",
    "smiles": "Cc1nc(C(=O)O)ccc1N(C)Cc1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc(C(=O)[O-])ccc1[NH+](C)Cc1cccc(Cl)c1",
        "std_free_energy": -5.714998245239258,
        "relative_population": 0.0626740764026672
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1[nH+]c(C(=O)[O-])ccc1N(C)Cc1cccc(Cl)c1",
        "std_free_energy": -8.378144264221191,
        "relative_population": 0.8988300081171099
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(C(=O)[O-])ccc1N(C)Cc1cccc(Cl)c1",
        "std_free_energy": -9.1839017868042,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]