Functional groups recognized by "checkmol" + output codes: 001 cation 000000T2 002 anion 000000T1 003 carbonyl compound C2O10000 004 aldehyde C2O1H000 005 ketone C2O1C000 006 thiocarbonyl compound C2S10000 007 thioaldehyde C2S1H000 008 thioketone C2S1C000 009 imine C2N10000 010 hydrazone C2N1N000 011 semicarbazone C2NNC4ON 012 thiosemicarbazone C2NNC4SN 013 oxime C2N1OH00 014 oxime ether C2N1OC00 015 ketene C3OC0000 016 ketene acetal derivative C3OCC000 017 carbonyl hydrate C2O2H200 018 hemiacetal C2O2HC00 019 acetal C2O2CC00 020 hemiaminal C2NOHC10 021 aminal C2N2CC10 022 thiohemiaminal C2NSHC10 023 thioacetal C2S2CC00 024 enamine C2CNH000 025 enol C2COH000 026 enolether C2COC000 027 hydroxy O1H00000 028 alcohol O1H0C000 029 prim. alcohol O1H1C000 030 sec. alcohol O1H2C000 031 tert. alcohol O1H3C000 032 1,2-diol O1H0CO1H 033 1,2-aminoalcohol O1H0CN1C 034 phenol O1H1A000 035 1,2-diphenol O1H2A000 036 enediol C2COH200 037 ether O1C00000 038 dialkylether O1C0CC00 039 alkylarylether O1C0CA00 040 diarylether O1C0AA00 041 thioether S1C00000 042 disulfide S1S1C000 043 peroxide O1O1C000 044 hydroperoxide O1O1H000 045 hydrazine N1N10000 046 hydroxylamine N1O1H000 047 amine N1C00000 048 prim. amine N1C10000 049 prim. aliphat. mine N1C1C000 050 prim. aromat. mine N1C1A000 051 sec. amine N1C20000 052 sec. aliphat. amine N1C2CC00 053 sec. mixed amine (aryl alkyl) N1C2AC00 054 sec. aromat. amine N1C2AA00 055 tert. amine N1C30000 056 tert. aliphat. amine N1C3CC00 057 tert. mixed amine N1C3AC00 058 tert. arom_amine N1C3AA00 059 quaternary ammonium salt N1C400T2 060 N-oxide N0O10000 061 halogen deriv. XX000000 062 alkyl halide XX00C000 063 alkyl fluoride XF00C000 064 alkyl chloride XC00C000 065 alkyl bromide XB00C000 066 alkyl iodide XI00C000 067 aryl halide XX00A000 068 aryl fluoride XF00A000 069 aryl chloride XC00A000 070 aryl bromide XB00A000 071 aryl iodide XI00A000 072 organometallic compound 000000MX 073 organolithium compound 000000ML 074 organomagnesium compound 000000MM 075 carboxylic acid deriv. C3O20000 076 carboxylic acid C3O2H000 077 carboxylic acid salt C3O200T1 078 carboxylic acid ester C3O2C000 079 lactone C3O2CZ00 080 carboxylic acid amide C3ONC000 081 carboxylic acid prim. amide C3ONC100 082 carboxylic acid sec. amide C3ONC200 083 carboxylic acid tert. amide C3ONC300 084 lactam C3ONCZ00 085 carboxylic acid hydrazide C3ONN100 086 carboxylic acid azide C3ONN200 087 hydroxamic acid C3ONOH00 088 carboxylic acid amidine C3N2H000 089 carboxylic acid amidrazone C3NNN100 090 nitrile C3N00000 091 acyl halide C3OXX000 092 acyl fluoride C3OXF000 093 acyl chloride C3OXC000 094 acyl bromide C3OXB000 095 acyl iodide C3OXI000 096 acyl cyanide C2OC3N00 097 imido ester C3NOC000 098 imidoyl halide C3NXX000 099 thiocarboxylic acid deriv. C3SO0000 100 thiocarboxylic acid C3SOH000 101 thiocarboxylic acid ester C3SOC000 102 thiolactone C3SOCZ00 103 thiocarboxylic acid amide C3SNH000 104 thiolactam C3SNCZ00 105 imido_thioester C3NSC000 106 oxohetarene C3ONAZ00 107 thioxohetarene C3SNAZ00 108 iminohetarene C3NNAZ00 109 orthocarboxylic acid deriv. C3O30000 110 carboxylic acid orthoester C3O3C000 111 carboxylic acid amide acetal C3O3NC00 112 carboxylic acid anhydride C3O2C3O2 113 carboxylic acid imide C3ONC000 114 carboxylic acid unsubst. imide C3ONCH10 115 carboxylic acid subst. imide C3ONCC10 116 CO2 deriv. C4000000 117 carbonic acid deriv. C4O30000 118 carbonic acid monoester C4O3C100 119 carbonic acid diester C4O3C200 120 carbonic acid ester halide C4O3CX00 121 thiocarbonic acid deriv. C4SO0000 122 thiocarbonic acid monoester C4SOC100 123 thiocarbonic acid diester C4SOC200 124 thiocarbonic acid ester halide C4SOX_00 125 carbamic acid deriv C4O2N000 126 carbamic acid C4O2NH00 127 carbamic acid ester (urethane) C4O2NC00 128 carbamic acid halide C4O2NX00 129 thiocarbamic acid deriv. C4SN0000 130 thiocarbamic acid C4SNOH00 131 thiocarbamic acid ester C4SNOC00 132 thiocarbamic acid halide C4SNXX00 133 urea C4O1N200 134 isourea C4N2O100 135 thiourea C4S1N200 136 isothiourea C4N2S100 137 guanidine C4N30000 138 semicarbazide C4ON2N00 139 thiosemicarbazide C4SN2N00 140 azide N4N20000 141 azo compound N2N10000 142 diazonium salt N3N100T2 143 isonitrile N3C10000 144 cyanate C4NO1000 145 isocyanate C4NO2000 146 thiocyanate C4NS1000 147 isothiocyanate C4NS2000 148 carbodiimide C4N20000 149 nitroso compound N2O10000 150 nitro compound N4O20000 151 nitrite N3O20000 152 nitrate N4O30000 153 sulfuric acid deriv. S6O00000 154 sulfuric acid S6O4H000 155 sulfuric acid monoester S6O4HC00 156 sulfuric acid diester S6O4CC00 157 sulfuric acid amide ester S6O3NC00 158 sulfuric acid amide S6O3N100 159 sulfuric acid diamide S6O2N200 160 sulfuryl halide S6O3XX00 161 sulfonic acid deriv. S5O00000 162 sulfonic acid S5O3H000 163 sulfonic acid ester S5O3C000 164 sulfonamide S5O2N000 165 sulfonyl halide S5O2XX00 166 sulfone S4O20000 167 sulfoxide S2O10000 168 sulfinic acid deriv. S3O00000 169 sulfinic acid S3O2H000 170 sulfinic acid ester S3O2C000 171 sulfinic acid halide S3O1XX00 172 sulfinic acid amide S3O1N000 173 sulfenic acid deriv. S1O00000 174 sulfenic acid S1O1H000 175 sulfenic acid ester S1O1C000 176 sulfenic acid halide S1O0XX00 177 sulfenic acid amide S1O0N100 178 thiol S1H10000 179 alkylthiol S1H1C000 180 arylthiol S1H1A000 181 phosphoric acid deriv. P5O0H000 182 phosphoric acid P5O4H200 183 phosphoric acid ester P5O4HC00 184 phosphoric acid halide P5O3HX00 185 phosphoric acid amide P5O3HN00 186 thiophosphoric acid deriv. P5O0S000 187 thiophosphoric acid P5O3SH00 188 thiophosphoric acid ester P5O3SC00 189 thiophosphoric acid halide P5O2SX00 190 thiophosphoric acid amide P5O2SN00 191 phosphonic acid deriv. P4O30000 192 phosphonic acid P4O3H000 193 phosphonic acid ester P4O3C000 194 phosphine P3000000 195 phosphinoxide P2O00000 196 boronic acid deriv. B2O20000 197 boronic acid B2O2H000 198 boronic acid ester B2O2C000 199 alkene 000C2C00 200 alkyne 000C3C00 201 aromatic compound 0000A000 202 heterocyclic compound 0000CZ00 203 alpha-aminoacid C3O2HN1C 204 alpha-hydroxyacid C3O2HO1H