[
  {
    "molid": "mol5173",
    "smiles": "Cc1ccn2c1[C@H](O)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccn2c1[C@H](O)CC2",
        "std_free_energy": -5.102435111999512,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccn2c1[C-](O)CC2",
        "std_free_energy": 9.090373992919922,
        "relative_population": 0.9643408357802666
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]