[
  {
    "molid": "mol3467",
    "smiles": "N=C(c1ccccc1)c1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH2+]=C(c1ccccc1)c1cccc([O-])c1",
        "std_free_energy": -2.0940568447113037,
        "relative_population": 0.1020675336047983
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N=C(c1ccccc1)c1cccc(O)c1",
        "std_free_energy": -4.268517017364502,
        "relative_population": 0.8979324663952016
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH2+]=C(c1ccccc1)c1cccc(O)c1",
        "std_free_energy": -5.380819320678711,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.9200001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]