[
  {
    "molid": "mol5985",
    "smiles": "Cc1ccc(N)c(N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(N)c(N)c1",
        "std_free_energy": -5.846078872680664,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(N)c([NH3+])c1",
        "std_free_energy": -2.0252013206481934,
        "relative_population": 0.520793180866999
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc([NH3+])c(N)c1",
        "std_free_energy": -1.9419806003570557,
        "relative_population": 0.47920681913300095
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1ccc([NH3+])c([NH3+])c1",
        "std_free_energy": 8.558130264282227,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.68,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 0.98,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]