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Diffstat (limited to 'paper/functional-groups.csv')
-rw-r--r-- | paper/functional-groups.csv | 169 |
1 files changed, 0 insertions, 169 deletions
diff --git a/paper/functional-groups.csv b/paper/functional-groups.csv index 414c28c..0e2b4ca 100644 --- a/paper/functional-groups.csv +++ b/paper/functional-groups.csv @@ -4,11 +4,9 @@ Tertiary_carbon, 91, 73 Quaternary_carbon, 58, 60 Alkene, 39, 30 Alkyne, 5, 8 -Allene, 0, 0 Alkylchloride, 71, 41 Alkylfluoride, 52, 74 Alkylbromide, 5, 3 -Alkyliodide, 0, 0 Alcohol, 44, 27 Primary_alcohol, 12, 2 Secondary_alcohol, 23, 10 @@ -18,8 +16,6 @@ Dialkylthioether, 14, 6 Alkylarylether, 62, 90 Diarylether, 35, 47 Alkylarylthioether, 11, 10 -Diarylthioether, 3, 0 -Oxonium, 0, 0 Amine, 66, 41 Primary_aliph_amine, 8, 3 Secondary_aliph_amine, 2, 2 @@ -27,74 +23,31 @@ Tertiary_aliph_amine, 16, 9 Quaternary_aliph_ammonium, 1, 6 Primary_arom_amine, 26, 15 Secondary_arom_amine, 2, 1 -Tertiary_arom_amine, 19, 0 -Quaternary_arom_ammonium, 0, 0 Secondary_mixed_amine, 8, 3 Tertiary_mixed_amine, 14, 7 -Quaternary_mixed_ammonium, 0, 0 Ammonium, 1, 6 -Alkylthiol, 0, 0 Dialkylthioether, 10, 4 Alkylarylthioether, 10, 10 Disulfide, 4, 2 -1,2-Aminoalcohol, 5, 0 1,2-Diol, 12, 3 -1,1-Diol, 1, 0 -Hydroperoxide, 0, 0 -Peroxo, 0, 0 -Organolithium_compounds, 0, 0 -Organomagnesium_compounds, 0, 0 Organometallic_compounds, 1, 5 Aldehyde, 3, 1 Ketone, 21, 25 -Thioaldehyde, 0, 0 -Thioketone, 0, 0 -Imine, 0, 0 -Immonium, 0, 0 -Oxime, 0, 0 Oximether, 7, 15 Acetal, 13, 13 -Hemiacetal, 1, 0 -Aminal, 1, 0 -Hemiaminal, 0, 0 -Thioacetal, 0, 0 -Thiohemiacetal, 0, 0 Halogen_acetal_like, 13, 14 Acetal_like, 34, 30 -Halogenmethylen_ester_and_similar, 1, 0 NOS_methylen_ester_and_similar, 18, 19 Hetero_methylen_ester_and_similar, 19, 19 -Cyanhydrine, 0, 0 Chloroalkene, 39, 21 -Fluoroalkene, 0, 1 Bromoalkene, 1, 2 -Iodoalkene, 1, 0 Enol, 4, 5 -Endiol, 2, 0 Enolether, 2, 4 -Enolester, 0, 6 -Enamine, 0, 1 -Thioenol, 0, 0 Thioenolether, 1, 1 -Acylchloride, 0, 0 -Acylfluoride, 0, 0 -Acylbromide, 0, 0 -Acyliodide, 0, 0 -Acylhalide, 0, 0 Carboxylic_acid, 33, 38 -Carboxylic_ester, 0, 0 Lactone, 11, 10 -Carboxylic_anhydride, 1, 0 Carboxylic_acid_derivative, 215, 227 -Carbothioic_acid, 0, 0 Carbothioic_S_ester, 1, 1 -Carbothioic_S_lactone, 0, 0 -Carbothioic_O_ester, 0, 0 -Carbothioic_O_lactone, 0, 0 -Carbothioic_halide, 0, 0 -Carbodithioic_acid, 0, 0 -Carbodithioic_ester, 0, 0 -Carbodithiolactone, 0, 0 Amide, 38, 60 Primary_amide, 2, 1 Secondary_amide, 22, 36 @@ -102,78 +55,33 @@ Tertiary_amide, 15, 23 Lactam, 12, 18 Alkyl_imide, 5, 4 N_hetero_imide, 6, 3 -Imide_acidic, 0, 0 -Thioamide, 0, 0 -Thiolactam, 0, 0 -Oximester, 0, 0 Amidine, 3, 4 -Hydroxamic_acid, 0, 0 Hydroxamic_acid_ester, 1, 1 -Imidoacid, 0, 0 -Imidoacid_cyclic, 0, 2 -Imidoester, 0, 0 Imidolactone, 13, 32 -Imidothioacid, 0, 0 -Imidothioacid_cyclic, 0, 0 -Imidothioester, 0, 0 Imidothiolactone, 1, 1 Amidine, 3, 5 Imidolactam, 3, 2 -Imidoylhalide, 0, 0 Imidoylhalide_cyclic, 10, 19 -Amidrazone, 0, 0 Alpha_aminoacid, 1, 1 -Alpha_hydroxyacid, 0, 0 -Peptide_middle, 0, 0 -Peptide_C_term, 0, 0 -Peptide_N_term, 1, 0 -Carboxylic_orthoester, 0, 0 -Ketene, 0, 0 -Ketenacetal, 0, 0 Nitrile, 35, 39 -Isonitrile, 0, 0 Vinylogous_carbonyl_or_carboxyl_derivative, 70, 97 Vinylogous_acid, 9, 8 Vinylogous_ester, 113, 120 Vinylogous_amide, 19, 24 Vinylogous_halide, 11, 27 -Carbonic_acid_dieester, 0, 2 -Carbonic_acid_esterhalide, 0, 0 -Carbonic_acid_monoester, 0, 0 Carbonic_acid_derivatives, 109, 131 -Thiocarbonic_acid_dieester, 0, 0 -Thiocarbonic_acid_esterhalide, 0, 0 -Thiocarbonic_acid_monoester, 0, 0 Urea, 23, 21 Thiourea, 4, 4 -Isourea, 0, 1 Isothiourea, 1, 3 Guanidine, 6, 7 -Carbaminic_acid, 0, 0 Urethan, 34, 35 Biuret, 1, 4 -Semicarbazide, 0, 0 -Carbazide, 0, 0 Semicarbazone, 1, 3 -Carbazone, 0, 0 -Thiosemicarbazide, 1, 0 -Thiocarbazide, 0, 0 -Thiosemicarbazone, 0, 0 -Thiocarbazone, 0, 0 -Isocyanate, 0, 0 -Cyanate, 0, 0 -Isothiocyanate, 0, 0 -Thiocyanate, 0, 0 -Carbodiimide, 0, 0 -Orthocarbonic_derivatives, 0, 0 Phenol, 27, 9 -1,2-Diphenol, 2, 0 Arylchloride, 142, 163 Arylfluoride, 22, 41 Arylbromide, 4, 8 Aryliodide, 1, 4 -Arylthiol, 0, 0 -Iminoarene, 0, 1 Oxoarene, 32, 29 Thioarene, 1, 2 Hetero_N_basic_H, 17, 11 @@ -182,114 +90,38 @@ Hetero_N_nonbasic, 127, 191 Hetero_O, 10, 12 Hetero_S, 17, 18 Heteroaromatic, 147, 205 -Nitrite, 0, 0 -Thionitrite, 0, 0 -Nitrate, 0, 0 Nitro, 42, 31 -Nitroso, 0, 0 -Azide, 0, 0 -Acylazide, 0, 0 -Diazo, 0, 0 -Diazonium, 0, 0 -Nitrosamine, 0, 0 -Nitrosamide, 0, 0 -N-Oxide, 0, 1 -Hydrazine, 1, 0 -Hydrazone, 1, 0 -Hydroxylamine, 3, 0 Sulfon, 3, 14 Sulfoxide, 2, 3 -Sulfonium, 0, 0 -Sulfuric_acid, 0, 0 -Sulfuric_monoester, 0, 0 -Sulfuric_diester, 0, 0 -Sulfuric_monoamide, 1, 0 -Sulfuric_diamide, 0, 0 -Sulfuric_esteramide, 0, 1 Sulfuric_derivative, 5, 8 -Sulfonic_acid, 4, 0 Sulfonamide, 6, 9 -Sulfonic_ester, 1, 0 -Sulfonic_halide, 0, 0 Sulfonic_derivative, 24, 29 -Sulfinic_acid, 0, 0 -Sulfinic_amide, 0, 0 -Sulfinic_ester, 0, 0 -Sulfinic_halide, 0, 0 -Sulfinic_derivative, 0, 0 -Sulfenic_acid, 0, 0 -Sulfenic_amide, 0, 0 -Sulfenic_ester, 0, 0 -Sulfenic_halide, 0, 0 Sulfenic_derivative, 48, 34 -Phosphine, 0, 0 -Phosphine_oxide, 0, 0 -Phosphonium, 0, 0 -Phosphorylen, 0, 0 Phosphonic_acid, 5, 5 Phosphonic_monoester, 1, 1 Phosphonic_diester, 2, 1 -Phosphonic_monoamide, 0, 0 -Phosphonic_diamide, 0, 0 -Phosphonic_esteramide, 0, 0 Phosphonic_acid_derivative, 10, 7 -Phosphoric_acid, 0, 0 -Phosphoric_monoester, 0, 0 -Phosphoric_diester, 0, 0 Phosphoric_triester, 10, 3 -Phosphoric_monoamide, 0, 0 -Phosphoric_diamide, 0, 0 -Phosphoric_triamide, 0, 0 -Phosphoric_monoestermonoamide, 0, 0 Phosphoric_diestermonoamide, 3, 2 -Phosphoric_monoesterdiamide, 0, 0 Phosphoric_acid_derivative, 70, 44 Phosphinic_acid, 1, 1 -Phosphinic_ester, 0, 0 -Phosphinic_amide, 0, 0 Phosphinic_acid_derivative, 1, 1 -Phosphonous_acid, 0, 0 -Phosphonous_monoester, 0, 0 -Phosphonous_diester, 0, 0 -Phosphonous_monoamide, 0, 0 -Phosphonous_diamide, 0, 0 -Phosphonous_esteramide, 0, 0 -Phosphonous_derivatives, 0, 0 -Phosphinous_acid, 0, 0 -Phosphinous_ester, 0, 0 -Phosphinous_amide, 0, 0 -Phosphinous_derivatives, 0, 0 Quart_silane, 1, 2 -Non-quart_silane, 0, 0 -Silylmonohalide, 0, 0 -Het_trialkylsilane, 0, 0 -Dihet_dialkylsilane, 0, 0 -Trihet_alkylsilane, 0, 0 -Silicic_acid_derivative, 0, 0 -Trialkylborane, 0, 0 -Boric_acid_derivatives, 0, 0 -Boronic_acid_derivative, 0, 0 -Borohydride, 0, 0 -Quaternary_boron, 0, 0 Aromatic, 402, 396 Heterocyclic, 228, 272 Epoxide, 11, 2 -NH_aziridine, 0, 0 Spiro, 3, 10 Annelated_rings, 97, 73 Bridged_rings, 8, 4 Sugar_pattern_1, 10, 9 Sugar_pattern_2, 6, 7 Sugar_pattern_combi, 4, 5 -Sugar_pattern_2_reducing, 1, 0 Sugar_pattern_2_alpha, 1, 1 Sugar_pattern_2_beta, 1, 1 Conjugated_double_bond, 207, 213 Conjugated_tripple_bond, 10, 19 Cis_double_bond, 31, 19 Trans_double_bond, 31, 19 -Mixed_anhydrides, 1, 0 -Halogen_on_hetero, 0, 0 Halogen_multi_subst, 1, 6 Trifluoromethyl, 44, 63 C_ONS_bond, 520, 484 @@ -301,7 +133,6 @@ Salt, 26, 45 1,5-Tautomerizable, 124, 148 Rotatable_bond, 488, 462 Michael_acceptor, 33, 33 -Dicarbodiazene, 0, 0 CH-acidic, 60, 73 CH-acidic_strong, 1, 4 Chiral_center_specified, 1, 2 |