[
  {
    "molid": "mol14269",
    "smiles": "Cc1nc(C(=O)O)ccc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc(C(=O)O)ccc1O",
        "std_free_energy": -4.831339359283447,
        "relative_population": 0.39684707626597854
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1[nH+]c(C(=O)[O-])ccc1O",
        "std_free_energy": -5.247438907623291,
        "relative_population": 0.601634763775161
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(C(=O)[O-])ccc1O",
        "std_free_energy": -8.968562126159668,
        "relative_population": 0.9535883672203526
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nc(C(=O)[O-])ccc1[O-]",
        "std_free_energy": -1.751892328262329,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.1300001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.49,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.4899998,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]