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Rules statements set the limits for the maximum number of the specified type of functional group that may be allowed in the molecule. For example:
RULE 0 acid_halide
The first field of a rule statement is the word RULE in all capital letters. The second field is a number indicating the maximum number of the group allowed in a molecule. The third field is the functional group keyword. Functional-group keywords are case sensitive. The functional groups for which rules may be generated include:
acetal, acid_halide, acyclic_NCN, acyclic_NS, Acyl_cyanides, Acylhydrazide, alcohol, aldehyde, alkene, alkylaniline, alkyl_halide, Alkyl_phosphate, alkyne, alphahalo_amine, alphahalo_ketone, amide, aminal, amine, amino_acid, anhydride, aniline, arenesulfonyl, aryl_halide, azide, aziridine, azo, azocyanamides, benzyl_ether, benzyloxycarbonyl_CBZ, beta_azo_carbonyl, beta_carbonyl_quat_nitrogen, beta_halo_carbonyl, carbamate, carbamic_acid, carbodiimide, carbonate, carboxylic_acid, cation_C_Cl_I_P_or_S, chloramidines, cyanohydrins, cycloheximide_derivatives, cyclopropyl, cytochalasin_derivatives, dioxane_6MR, dioxolane_5MR, di_peptide, disulfide, dithioacetal, dye, enamine, enol_ether, epoxide, ester, ether, fluorenylmethoxycarbonyl_Fmoc, guanidine, halide, halo_alkene, halo_amine, halopyrimidine, hemiacetal, hemiaminal, hemiketal, hetero_hetero, HOBT_esters, hydrazine, hydrazone, hydroxamic_acid, hydroxylamine, imine, iodine, iodoso, iodoxy, isocyanate, Isonitrile, isothiocyanate, ketal, ketone, lactam, lactone, Lawesson_s_reagent, malonic, methoxyethoxymethyl_MEM, methyl_ketone, michael_acceptor, Monensin_derivatives, nitrile, nitro, nitroso, Nitroso, N_methoyl, nonacylhydrazone, noxide, N_P_S_Halides, NS_beta_halothyl, organometallic, oxalyl, oxaziridine, oxime, oxygen_cation, Paranitrophenyl_esters, pentafluorophenyl_esters, perhalo_ketone, peroxide, phenol, phosphanes, phosphinic_acid, phosphonamide, phosphonic_acid, phosphonic_ester, phosphonylnitrile, phosphoramides, phosphoranes, phosphoric_acid, phosphoric_ester, phosphoryl, phosphoryl, phthalimides_PHT, polyenes, primary_amine, propiolactones, quinone, saponin_derivatives, SCN2, secondary_amine, squalestatin_derivatives, sulfide, sulfinimine, sulfinylthio, sulfonamide, sulfone, sulfonic_acid, sulfonic_ester, sulfonimine, sulfonyl_halide, sulfonylnitrile, sulfonylurea, sulfoxide, t_butyldimethylsilyl_TBDMS, t_butyldiphenylsilyl_TBDPS, t_butyl_ether, t_butoxycarbonyl_tBOC, terminal_vinyl, tertiary_amine, tetrahydropyran_THP, thioamide, thiocarbamate, thioester, thiol, thiourea, Triacyloxime, triazine, tricarbo_phosphene, triflates, triisopropylsilyl_TIPS, trimethylsilyl_TMS, and urea.
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