{ "structures": [ { "name": "alkanes", "groups": [], "count": 0, "rings": 0 }, { "name": "alkenes", "groups": [ "=CH2", "=CH", "=C<" ], "count": 2, "rings": 0 }, { "name": "aromatics", "groups": [ "CH_arom", "C_arom" ], "count": 6, "rings": 1 }, { "name": "cyclohexanes", "groups": [ "CH2_hex", "CH_hex" ], "count": 6, "rings": 1 }, { "name": "cyclopentanes", "groups": [ "CH2_pent", "CH_pent" ], "count": 5, "rings": 1 }, { "name": "polars", "groups": [ "C≡CH", "CH=O", ">C=O", "OCH3", "OCH2", "HCOO", "COO" ], "count": 1, "rings": 0 } ], "groups": [ { "name": "CH3", "open_bonds": 1, "n_max": 10 }, { "name": "CH2", "open_bonds": 2, "n_max": 10 }, { "name": ">CH", "open_bonds": 3, "n_max": 10 }, { "name": ">C<", "open_bonds": 4, "n_max": 10 }, { "name": "=CH2", "open_bonds": 1, "n_max": 1 }, { "name": "=CH", "open_bonds": 2, "n_max": 2 }, { "name": "=C<", "open_bonds": 3, "n_max": 2 }, { "name": "C≡CH", "open_bonds": 1, "n_max": 1 }, { "name": "CH2_hex", "open_bonds": 2, "n_max": 6 }, { "name": "CH_hex", "open_bonds": 3, "n_max": 6 }, { "name": "CH2_pent", "open_bonds": 2, "n_max": 5 }, { "name": "CH_pent", "open_bonds": 3, "n_max": 5 }, { "name": "CH_arom", "open_bonds": 2, "n_max": 6 }, { "name": "C_arom", "open_bonds": 3, "n_max": 6 }, { "name": "CH=O", "open_bonds": 1, "n_max": 1 }, { "name": ">C=O", "open_bonds": 2, "n_max": 1 }, { "name": "OCH3", "open_bonds": 1, "n_max": 1 }, { "name": "OCH2", "open_bonds": 2, "n_max": 1 }, { "name": "HCOO", "open_bonds": 1, "n_max": 1 }, { "name": "COO", "open_bonds": 2, "n_max": 1 } ] }