[
  {
    "molid": "mol4695",
    "smiles": "OC1=Nc2cnccc2NC1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "OC1=Nc2cnccc2NC1",
        "std_free_energy": -6.074619293212891,
        "relative_population": 0.9535573744759375
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]C1=Nc2cnccc2NC1",
        "std_free_energy": 0.4040282964706421,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]C1=Nc2cnccc2[N-]C1",
        "std_free_energy": 11.073575973510742,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.13,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]