[
  {
    "molid": "mol7978",
    "smiles": "Oc1nc2cnccc2[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1nc2cnccc2[nH]1",
        "std_free_energy": -7.1148152351379395,
        "relative_population": 0.9995589518294576
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1nc2c[nH+]ccc2[nH]1",
        "std_free_energy": -3.169321060180664,
        "relative_population": 0.9287273368594262
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1[nH]c2ccncc2[nH+]1",
        "std_free_energy": -0.6020187139511108,
        "relative_population": 0.07127266314057387
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Oc1nc2cnccc2[n-]1",
        "std_free_energy": 1.228915810585022,
        "relative_population": 0.8733876560605977
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1nc2cnccc2[nH]1",
        "std_free_energy": 3.160165309906006,
        "relative_population": 0.12661234393940235
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.12,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]