Index:MassBank/Molecules
From Metabolomics.JP
| CAS | KeioID | MassBank ID | Name |
|---|---|---|---|
| 56-12-2 | A002- | KOX00001 | GABA |
| 56-12-2 | A002+ | KOX00002 | GABA |
| 58-61-7 | A007- | KOX00003 | Adenosine |
| 58-61-7 | A007+ | KOX00004 | Adenosine |
| 118-92-3 | A010- | KOX00005 | Anthranilate |
| 118-92-3 | A010+ | KOX00006 | Anthranilate |
| 338-69-2 | A011- | KOX00007 | D-Ala |
| 338-69-2 | A011+ | KOX00008 | D-Ala |
| 56-41-7 | A015- | KOX00009 | L-Ala |
| 56-41-7 | A015+ | KOX00010 | L-Ala |
| 70-47-3 | A016- | KOX00011 | Asn |
| 70-47-3 | A016+ | KOX00012 | Asn |
| 56-84-8 | A017- | KOX00013 | Asp |
| 131-48-6 | A018- | KOX00015 | N-Acetylneuraminate |
| 131-48-6 | A018+ | KOX00016 | N-Acetylneuraminate |
| 107-95-9 | A021- | KOX00017 | b-Ala |
| 107-95-9 | A021+ | KOX00018 | b-Ala |
| 64-19-7 | A029- | KOX00019 | Acetate |
| 585-84-2 | A030- | KOX00020 | cis-Aconitate |
| 1188-37-0 | A031- | KOX00021 | N-Acetylglutamate |
| A032- | KOX00023 | N-Acetylornithine | |
| A032+ | KOX00024 | N-Acetylornithine | |
| 19046-78-7 | A037- | KOX00025 | Adenylosuccinate |
| 19046-78-7 | A037+ | KOX00027 | Adenylosuccinate |
| A039- | KOX00028 | Argininosuccinate | |
| A039+ | KOX00029 | Argininosuccinate | |
| 934-32-7 | A042- | KOX00031 | 2-Aminobenzimidazole |
| 934-32-7 | A042+ | KOX00032 | 2-Aminobenzimidazole |
| 150-13-0 | A043- | KOX00033 | p-Aminobenzoate |
| 150-13-0 | A043+ | KOX00034 | p-Aminobenzoate |
| 61-82-5 | A045- | KOX00035 | 3-Amino-1,2,4-triazole |
| 22059-21-8 | A047- | KOX00037 | 1-Aminocyclopropane-1-carboxylate |
| 62-57-7 | A048- | KOX00038 | a-Aminoisobutyrate |
| 62-57-7 | A048+ | KOX00039 | a-Aminoisobutyrate |
| 52-52-8 | A050- | KOX00040 | 1-Amino-1-cyclopentanecarboxylate |
| 52-52-8 | A050+ | KOX00041 | 1-Amino-1-cyclopentanecarboxylate |
| 60-32-2 | A053- | KOX00042 | 6-Aminohexanoate |
| A056- | KOX00044 | 2-Aminoethylphosphonate | |
| A056+ | KOX00045 | 2-Aminoethylphosphonate | |
| 6323-97-3 | A057- | KOX00046 | 1-Aminoethylphosphonate |
| 638-23-3 | A059- | KOX00047 | S-Carboxymethylcysteine |
| 123-99-9 | A063- | KOX00049 | Azelaate |
| 65-82-7 | A065- | KOX00050 | N-Acetylmethionine |
| 65-82-7 | A065+ | KOX00051 | N-Acetylmethionine |
| 2018-61-3 | A067- | KOX00052 | N-Acetylphenylalanine |
| 2018-61-3 | A067+ | KOX00053 | N-Acetylphenylalanine |
| 59277-89-3 | A071+ | KOX00054 | Acyclovir |
| 2497-02-1 | A073- | KOX00055 | N-Acetylhistidine |
| 2497-02-1 | A073+ | KOX00056 | N-Acetylhistidine |
| 124-04-9 | A076- | KOX00057 | Adipate |
| 2623-91-8 | A087- | KOX00058 | D-2-Aminobutyrate |
| 2623-91-8 | A087+ | KOX00059 | D-2-Aminobutyrate |
| 3128-06-1 | A092- | KOX00060 | 4-Acetylbutyrate |
| A093- | KOX00061 | Nw-Acetylhistamine | |
| A093+ | KOX00062 | Nw-Acetylhistamine | |
| 542-32-5 | A110- | KOX00063 | a-Aminoadipate |
| 542-32-5 | A110+ | KOX00064 | a-Aminoadipate |
| 4023-65-8 | A117- | KOX00065 | trans-Aconitate |
| A122- | KOX00066 | N-Acetylglucosamine 1-phosphate | |
| A122+ | KOX00067 | N-Acetylglucosamine 1-phosphate | |
| A127- | KOX00068 | b-Ala-Lys | |
| A127+ | KOX00069 | b-Ala-Lys | |
| 142-45-0 | A128- | KOX00070 | Acetylendicarboxylate |
| 65-49-6 | A129- | KOX00071 | 4-Aminosalicylate |
| 103-84-4 | A130- | KOX00072 | Acetanilide |
| 103-84-4 | A130+ | KOX00073 | Acetanilide |
| A131- | KOX00074 | 2-Amino-3-phosphonopropionate | |
| A131+ | KOX00075 | 2-Amino-3-phosphonopropionate | |
| 3031-94-5 | A133- | KOX00076 | 5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5-monophosphate |
| 3031-94-5 | A133+ | KOX00077 | 5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5-monophosphate |
| 660-88-8 | A135+ | KOX00079 | 5-Aminopentanoate |
| A136- | KOX00080 | 5-Amino-4-imidazolecarboxamide | |
| A136+ | KOX00081 | 5-Amino-4-imidazolecarboxamide | |
| 3025-95-4 | A138- | KOX00082 | N-Acetyl-b-alanine |
| 3025-95-4 | A138+ | KOX00083 | N-Acetyl-b-alanine |
| 99-16-1 | A139- | KOX00084 | Allantoate |
| 584-85-0 | A140- | KOX00085 | Anserine |
| 584-85-0 | A140+ | KOX00086 | Anserine |
| 997-55-7 | A142- | KOX00087 | N-Acetylaspartate |
| A144- | KOX00088 | N-Acetylglucosamine 6-phosphate | |
| 1188-21-2 | A145- | KOX00089 | N-Acetylleucine |
| 1188-21-2 | A145+ | KOX00090 | N-Acetylleucine |
| 13137-52-5 | A147- | KOX00091 | Arabinose 5-phosphate |
| 100-09-4 | A154- | KOX00092 | p-Anisate |
| 5977-14-0 | A165- | KOX00093 | Acetoacetamide |
| 692-04-6 | A174- | KOX00094 | Ne-Acetyllysine |
| 692-04-6 | A174+ | KOX00095 | Ne-Acetyllysine |
| A176- | KOX00096 | 3-Amino-3-(4-hydroxyphenyl)propionate | |
| 82-76-8 | A177- | KOX00097 | 8-Anilino-1-naphthalene sulfonate |
| 157296-99-6 | A184- | KOX00098 | N-Acetylgalactosamine 6-sulfate |
| A189- | KOX00099 | 2-Amino-2-methylbutanoate | |
| A189+ | KOX00100 | 2-Amino-2-methylbutanoate | |
| 61633-75-8 | A191- | KOX00101 | N-Acetylmuramate |
| 61633-75-8 | A191+ | KOX00102 | N-Acetylmuramate |
| 2163-68-0 | A196- | KOX00103 | Hydroxyatrazine |
| 2163-68-0 | A196+ | KOX00104 | Hydroxyatrazine |
| 2133-34-8 | A219- | KOX00105 | Azetidine-2-carboxylate |
| 80-08-0 | A220- | KOX00106 | 4-Aminophenylsulfone |
| 1066-51-9 | A235- | KOX00108 | (Aminomethyl)phosphonate |
| 1066-51-9 | A235+ | KOX00109 | (Aminomethyl)phosphonate |
| A237- | KOX00110 | Aminophylline | |
| A237+ | KOX00111 | Aminophylline | |
| A240- | KOX00112 | (S)-2-Aminobutyrate | |
| A240+ | KOX00113 | (S)-2-Aminobutyrate | |
| 65-85-0 | B002- | KOX00114 | Benzoate |
| 884-33-3 | B005- | KOX00115 | Benzyl succinate |
| 107-92-6 | B006- | KOX00116 | Butanoate |
| 51-17-2 | B007- | KOX00117 | Benzimidazole |
| 51-17-2 | B007+ | KOX00118 | Benzimidazole |
| 1214-39-7 | B015- | KOX00119 | 6-Benzylaminopurine |
| 1214-39-7 | B015+ | KOX00120 | 6-Benzylaminopurine |
| 58970-76-6 | B018- | KOX00121 | Bestatin |
| 58970-76-6 | B018+ | KOX00122 | Bestatin |
| 2079-00-7 | B019- | KOX00123 | Blasticidin S |
| 2079-00-7 | B019+ | KOX00124 | Blasticidin S |
| 58-85-5 | B020- | KOX00125 | Biotin |
| 7536-55-2 | B023- | KOX00127 | N-a-t-Boc-asparagine |
| 611-73-4 | B041- | KOX00128 | Benzoylformate |
| 25057-89-0 | B072- | KOX00130 | Bentazon |
| 25057-89-0 | B072+ | KOX00131 | Bentazon |
| B093- | KOX00132 | Bumetanide | |
| 77-92-9 | C005- | KOX00134 | Citrate |
| 305-84-0 | C012- | KOX00135 | Carnosine |
| 372-75-8 | C013- | KOX00137 | Citrulline |
| 372-75-8 | C013+ | KOX00138 | Citrulline |
| 1115-65-7 | C015- | KOX00139 | Cysteine sulfinate |
| 140-10-3 | C016- | KOX00141 | trans-Cinnamate |
| 7400-08-0 501-98-4 | C024- | KOX00142 | p-Coumarate |
| 13184-27-5 | C025- | KOX00143 | Carbamoylaspartate |
| 71-30-7 | C033- | KOX00144 | Cytosine |
| 60-27-5 | C034- | KOX00146 | Creatinine |
| 60-27-5 | C034+ | KOX00147 | Creatinine |
| 142-62-1 | C035- | KOX00148 | Hexanoate |
| 498-23-7 | C036- | KOX00149 | Citraconate |
| 124-07-2 | C037- | KOX00150 | Octanoate |
| 119-67-5 | C038- | KOX00151 | 2-Carboxybenzaldehyde |
| 614-60-8 | C039- | KOX00152 | o-Coumarate |
| 86-74-8 | C040- | KOX00153 | Carbazole |
| 86-74-8 | C040+ | KOX00154 | Carbazole |
| 95-25-0 | C042- | KOX00155 | Chlorzoxazone |
| 56-75-7 | C057- | KOX00156 | Chloramphenicol |
| 56-75-7 | C057+ | KOX00157 | Chloramphenicol |
| 81-25-4 | C061- | KOX00158 | Cholate |
| 327-97-9 | C063- | KOX00159 | Chlorogenate |
| 327-97-9 | C063+ | KOX00160 | Chlorogenate |
| 154-87-0 | C077+ | KOX00162 | Cocarboxylase |
| C078- | KOX00163 | N-Carbamylglutamate | |
| 118-91-2 | C088- | KOX00164 | 2-Chlorobenzoate |
| 3724-65-0 | C093- | KOX00165 | Crotonate |
| 543-38-4 | C094- | KOX00166 | Canavanine |
| 543-38-4 | C094+ | KOX00167 | Canavanine |
| C101- | KOX00169 | Citramalate | |
| 74-11-3 | C104- | KOX00170 | 4-Chlorobenzoate |
| 331-39-5 | C107- | KOX00171 | Caffeate |
| 147-94-4 | C119- | KOX00173 | Cytosine arabinoside |
| 1637-71-4 | C127- | KOX00175 | Cysteine S-sulfate |
| 1637-71-4 | C127+ | KOX00176 | Cysteine S-sulfate |
| 122-88-3 | C151- | KOX00177 | p-Chlorophenoxyacetate |
| 536-66-3 | C157- | KOX00178 | Cumate |
| 98-89-5 | C180- | KOX00179 | Cyclohexanecarboxylate |
| C208- | KOX00180 | Cimetidine | |
| C208+ | KOX00181 | Cimetidine | |
| D013- | KOX00182 | 2-Deoxyribose 1-phosphate | |
| D014- | KOX00183 | Dihydroxyacetone phosphate | |
| D017- | KOX00184 | 2,3-Diphosphoglycerate | |
| D026- | KOX00186 | 2-Deoxyribose 5-phosphate | |
| 79-43-6 | D034- | KOX00187 | Dichloroacetate |
| 51-61-6 | D046- | KOX00188 | Dopamine |
| 1078-61-1 | D047- | KOX00190 | Dihydrocafeate |
| 99-30-9 | D048- | KOX00191 | 2,6-Dichloro-4-nitroaniline |
| 693-23-2 | D049- | KOX00192 | Dodecanedioate |
| 609-99-4 | D050- | KOX00193 | 3,5-Dinitrosalicylate |
| 364-98-7 | D051- | KOX00194 | Diazoxide |
| 364-98-7 | D051+ | KOX00195 | Diazoxide |
| 951-77-9 | D055- | KOX00196 | 2-Deoxycytidine |
| 300-39-0 66-02-4 | D056- | KOX00198 | 3,5-Diiodo-tyrosine |
| 961-07-9 | D057- | KOX00200 | 2-Deoxyguanosine |
| 961-07-9 | D057+ | KOX00201 | 2-Deoxyguanosine |
| 22494-42-4 | D058- | KOX00202 | Diflunisal |
| 23214-92-8 | D064- | KOX00204 | Doxorubicin |
| 23214-92-8 | D064+ | KOX00205 | Doxorubicin |
| 775-01-9 | D066- | KOX00206 | 3,4-Dihydroxymandelate |
| 51-28-5 | D097- | KOX00207 | 2,4-Dinitrophenol |
| 5894-59-7 | D100- | KOX00208 | Digalacturonate |
| D101- | KOX00209 | 2-Deoxyglucose 6-phosphate | |
| 5871-17-0 | D113- | KOX00210 | O, O-Diethyl thiophosphate |
| 5871-17-0 | D113+ | KOX00211 | O, O-Diethyl thiophosphate |
| 15307-86-5 | D128- | KOX00212 | Diclofenac |
| 15307-86-5 | D128+ | KOX00213 | Diclofenac |
| D131- | KOX00214 | Na,Na-Dimethylhistidine | |
| 50-84-0 | D135- | KOX00216 | 2,4-Dichlorobenzoate |
| 598-02-7 | D141- | KOX00217 | Diethyl phsophate |
| 598-02-7 | D141+ | KOX00218 | Diethyl phsophate |
| 140-22-7 | D166- | KOX00220 | 1,5-Diphenylcarbohydrazide |
| 1596-84-5 | D173- | KOX00222 | Daminozide |
| E005- | KOX00224 | N-Ethylglutamine | |
| E005+ | KOX00225 | N-Ethylglutamine | |
| 1071-23-4 | E009- | KOX00226 | Ethanolamine phosphate |
| 2809-21-4 | E010- | KOX00227 | Etidronate |
| E011- | KOX00228 | Ectoine | |
| E011+ | KOX00229 | Ectoine | |
| 536-33-4 | E012- | KOX00230 | Ethionamide |
| 536-33-4 | E012+ | KOX00231 | Ethionamide |
| 66701-25-5 | E015- | KOX00232 | E-64 |
| 66701-25-5 | E015+ | KOX00233 | E-64 |
| 621-51-2 | E026- | KOX00234 | 3-Ethoxybenzoate |
| 51-43-4 | E033- | KOX00235 | Epinephrine |
| 51-43-4 | E033+ | KOX00236 | Epinephrine |
| E034- | KOX00237 | Etodolac | |
| E034+ | KOX00238 | Etodolac | |
| 643-13-0 | F001- | KOX00239 | Fructose 6-phosphate |
| 488-69-7 | F008- | KOX00240 | Fructose 1,6-diphosphate |
| 488-69-7 | F008+ | KOX00241 | Fructose 1,6-diphosphate |
| 15978-08-2 | F009- | KOX00242 | Fructose 1-phosphate |
| F010- | KOX00243 | Fructose 2,6-diphosphate | |
| 525-79-1 | F014- | KOX00244 | 6-Furfurylaminopurine |
| 525-79-1 | F014+ | KOX00245 | 6-Furfurylaminopurine |
| 88-14-2 | F020- | KOX00246 | 2-Furoate |
| 19427-28-2 | F022- | KOX00247 | N-Formylaspartate |
| 456-22-4 | F023- | KOX00248 | 4-Fluorobenzoate |
| 445-29-4 | F024- | KOX00249 | o-Fluorobenzoate |
| F025- | KOX00250 | Formiminoaspartate | |
| 455-38-9 | F032- | KOX00252 | 3-Fluorobenzoate |
| F034- | KOX00253 | N-Formylmethionine | |
| 50-99-7 | G002- | KOX00255 | Glucose |
| 6556-12-3 | G004- | KOX00257 | Glucuronate |
| 6893-26-1 | G005- | KOX00258 | D-Glu |
| 70-18-8 | G009- | KOX00260 | Glutathione |
| 56-40-6 | G011- | KOX00261 | Gly |
| 56-40-6 | G011+ | KOX00262 | Gly |
| 79-14-1 | G012- | KOX00263 | Glycolate |
| 298-12-4 | G013- | KOX00264 | Glyoxylate |
| 118-00-3 | G015- | KOX00265 | Guanosine |
| 118-00-3 | G015+ | KOX00266 | Guanosine |
| 56-85-9 | G018- | KOX00267 | L-Gln |
| 56-85-9 | G018+ | KOX00268 | L-Gln |
| 56-86-0 | G019- | KOX00269 | L-Glu |
| 59-56-3 | G020- | KOX00271 | Glucose 1-phosphate |
| 473-81-4 | G027- | KOX00273 | Glycerate |
| 526-95-4 | G031- | KOX00274 | Gluconate |
| 463-00-3 | G032- | KOX00275 | g-Guanidinobutyrate |
| 463-00-3 | G032+ | KOX00276 | g-Guanidinobutyrate |
| 110-94-1 | G036- | KOX00277 | Glutarate |
| 556-50-3 | G037- | KOX00278 | Gly-Gly |
| 3929-61-1 | G043- | KOX00280 | Glu-Glu |
| 149-91-7 | G049- | KOX00282 | Gallate |
| 475-31-0 | G050- | KOX00283 | Glycocholate |
| 475-31-0 | G050+ | KOX00284 | Glycocholate |
| 1405-86-3 | G057- | KOX00285 | Glycyrrhizate |
| 1405-86-3 | G057+ | KOX00286 | Glycyrrhizate |
| 3646-68-2 | G061- | KOX00287 | Glucosaminate |
| 3646-68-2 | G061+ | KOX00288 | Glucosaminate |
| G062- | KOX00289 | N-Glycolylneuraminate | |
| G062+ | KOX00290 | N-Glycolylneuraminate | |
| G065- | KOX00291 | Galactosamine 1-phosphate | |
| G065+ | KOX00292 | Galactosamine 1-phosphate | |
| G066- | KOX00293 | Galacturonate 1-phosphate | |
| 869-19-2 | G071- | KOX00294 | Gly-Leu |
| 869-19-2 | G071+ | KOX00295 | Gly-Leu |
| 77-06-5 | G074- | KOX00296 | Gibberellate |
| 1449-05-4 471-53-4 | G075- | KOX00297 | Glycyrrhetinate |
| G088- | KOX00299 | Ganciclovir | |
| G088+ | KOX00300 | Ganciclovir | |
| 5418-95-1 | G101- | KOX00301 | 2-Guanidinobenzimidazole |
| 5418-95-1 | G101+ | KOX00302 | 2-Guanidinobenzimidazole |
| 24305-27-9 | G117- | KOX00305 | TRH |
| 71-00-1 | H002- | KOX00307 | His |
| 71-00-1 | H002+ | KOX00308 | His |
| 99-96-7 | H005- | KOX00309 | p-Hydroxybenzoate |
| 156-38-7 | H006- | KOX00310 | p-Hydroxyphenylacetate |
| H007- | KOX00311 | p-Hydroxyphenylpyruvate | |
| 3650-73-5 | H013- | KOX00312 | Homocarnosine |
| 68-94-0 | H014- | KOX00314 | Hypoxanthine |
| 68-94-0 | H014+ | KOX00315 | Hypoxanthine |
| 5006-66-6 | H015- | KOX00316 | 6-Hydroxynicotinate |
| 5006-66-6 | H015+ | KOX00317 | 6-Hydroxynicotinate |
| 300-84-5 | H017- | KOX00318 | Hypotaurine |
| 300-84-5 | H017+ | KOX00319 | Hypotaurine |
| 99-06-9 | H019- | KOX00320 | m-Hydroxybenzoate |
| 69-72-7 | H020- | KOX00321 | o-Hydroxybenzoate |
| H022- | KOX00322 | b-Hydroxybutyrate | |
| 594-61-6 | H026- | KOX00323 | 2-Hydroxyisobutyrate |
| 304-21-2 | H027- | KOX00324 | Harmaline |
| 304-21-2 | H027+ | KOX00325 | Harmaline |
| 487-54-7 | H028- | KOX00326 | o-Hydroxyhippurate |
| 486-84-0 | H029- | KOX00327 | Harman |
| 111-14-8 | H031- | KOX00329 | Heptanoate |
| 764-89-6 | H034- | KOX00330 | 8-Hydroxyoctanoate |
| 617-73-2 | H035- | KOX00331 | 2-Hydroxyoctanoate |
| 6064-63-7 | H036- | KOX00332 | 2-Hydroxyhexanoate |
| 462-10-2 | H041- | KOX00333 | Homocystine |
| 2584-71-6 | H048- | KOX00334 | cis-4-Hydroxyproline |
| 2584-71-6 | H048+ | KOX00335 | cis-4-Hydroxyproline |
| H056- | KOX00336 | 4-Hydroxy-3-methoxymandelate | |
| H057- | KOX00337 | 5-Hydroxy-3-indoleaceacetate | |
| 306-08-1 | H059- | KOX00339 | Homovanillate |
| 451-13-8 | H060- | KOX00340 | Homogentisate |
| 1191-25-9 | H061- | KOX00341 | 6-Hydroxyhexanoate |
| 1190-94-9 | H064- | KOX00342 | 5-Hydroxylysine |
| 495-69-2 | H065- | KOX00344 | Hippurate |
| 501-97-3 | H066- | KOX00345 | 3-(4-Hydroxyphenyl)propionate |
| 156-86-5 | H073- | KOX00346 | Homoarginine |
| 156-86-5 | H073+ | KOX00347 | Homoarginine |
| 1135-24-6 | H074- | KOX00348 | trans-4-Hydroxy-3-methoxycinnamate |
| 1679-53-4 | H077- | KOX00349 | 10-Hydroxydecanoate |
| H081- | KOX00350 | 4-Hydroxymandelate | |
| 503-49-1 | H084- | KOX00351 | 3-Hydroxy-3-methylglutarate |
| H086- | KOX00352 | threo-b-Hydroxyaspartate | |
| 20312-37-2 | H091- | KOX00353 | 2-Hydroxy-4-methylpentanoate |
| H096- | KOX00354 | Serine O-sulfate | |
| H099- | KOX00355 | 2-(4-Hydroxyphenyl)propionate | |
| 503-66-2 | H110- | KOX00356 | b-Hydroxypropionate |
| 121-34-6 | H115- | KOX00357 | 4-Hydroxy-3-methoxybenzoate |
| 611-36-9 | H139- | KOX00358 | 4-Hydroxyquinoline |
| 611-36-9 | H139+ | KOX00359 | 4-Hydroxyquinoline |
| 320-77-4 | I001- | KOX00360 | Isocitrate |
| 35656-49-6 | I002- | KOX00361 | Indole-3-pyrubate |
| 58-63-9 | I003- | KOX00362 | Inosine |
| 73-32-5 | I008- | KOX00363 | Ile |
| 79-31-2 | I012- | KOX00365 | Isobutyrate |
| 97-65-4 | I013- | KOX00366 | Itaconate |
| 3038-89-9 | I015- | KOX00367 | Isoguvacine |
| 3038-89-9 | I015+ | KOX00368 | Isoguvacine |
| 503-74-2 | I018- | KOX00369 | 3-Methylbutanoate |
| 91-56-5 | I019- | KOX00370 | Isatin |
| 91-56-5 | I019+ | KOX00371 | Isatin |
| 526-55-6 | I021- | KOX00372 | Indole-3-ethanol |
| 771-51-7 | I022- | KOX00373 | 3-Indoleacetonitrile |
| 537-73-5 | I024- | KOX00375 | Isoferulate |
| 133-32-4 | I025- | KOX00376 | 3-Indolebutyrate |
| 133-32-4 | I025+ | KOX00377 | 3-Indolebutyrate |
| 879-37-8 | I030- | KOX00378 | Indole-3-acetamide |
| 879-37-8 | I030+ | KOX00379 | Indole-3-acetamide |
| 87-51-4 | I038- | KOX00380 | Indole-3-acetate |
| 87-51-4 | I038+ | KOX00381 | Indole-3-acetate |
| 107-36-8 | I041- | KOX00382 | Isethionate |
| I048- | KOX00383 | 2-Isopropylmalate | |
| 70-78-0 | I050- | KOX00384 | 3-Iodotyrosine |
| 70-78-0 | I050+ | KOX00385 | 3-Iodotyrosine |
| 2642-37-7 | I054- | KOX00386 | 3-Indoxyl sulfate |
| 54-85-3 | I066- | KOX00387 | Isonicotinate hydrazide |
| 54-85-3 | I066+ | KOX00388 | Isonicotinate hydrazide |
| 3184-35-8 | K009- | KOX00389 | 2-Oxoadipate |
| 61-90-5 | L003- | KOX00390 | Leu |
| 56-87-1 | L004- | KOX00392 | Lys |
| 56-87-1 | L004+ | KOX00393 | Lys |
| 79-33-4 | L005- | KOX00394 | Lactate |
| 24365-47-7 | L006- | KOX00395 | Leupeptin hemisulfate |
| 24365-47-7 | L006+ | KOX00396 | Leupeptin hemisulfate |
| 20368-24-5 | L007- | KOX00397 | Leu-Leu-Tyr |
| 143-07-7 | L013- | KOX00399 | Laurate |
| 25138-66-3 | L016- | KOX00400 | S-Lactoylglutathione |
| 25138-66-3 | L016+ | KOX00401 | S-Lactoylglutathione |
| 60-33-3 | L030- | KOX00402 | (9Z, 12Z)-Octadecadienoate |
| 22255-40-9 | L043- | KOX00403 | Loganate |
| 97-67-6 | M002- | KOX00404 | Malate |
| 63-68-3 | M003- | KOX00405 | Met |
| 63-68-3 | M003+ | KOX00406 | Met |
| M006- | KOX00407 | 3-Methyl-2-oxobutanoate | |
| M007- | KOX00408 | 4-Methyl-2-oxopentanoate | |
| 3672-15-9 | M008- | KOX00409 | Mannose 6-phosphate |
| M009- | KOX00410 | threo-b-methylaspartate | |
| 141-82-2 | M012- | KOX00411 | Malonate |
| 516-05-2 | M014- | KOX00412 | Methylmalonate |
| 616-04-6 | M016- | KOX00413 | 1-Methylhydantoin |
| 99-94-5 | M017- | KOX00414 | 4-Methylbenzoate |
| 99-04-7 | M018- | KOX00415 | 3-Methylbenzoate |
| 75-75-2 | M021- | KOX00416 | Methanesulfonate |
| 110-16-7 | M026- | KOX00417 | Maleate |
| 3913-67-5 | M028- | KOX00418 | N-Methylalanine |
| M035+ | KOX00420 | Minoxidil | |
| 608-07-1 | M040- | KOX00423 | 5-Methoxytryptamine |
| 608-07-1 | M040+ | KOX00424 | 5-Methoxytryptamine |
| 544-63-8 | M041- | KOX00425 | Myristate |
| 2958-98-7 | M042- | KOX00426 | 3-Methylguanine |
| 2958-98-7 | M042+ | KOX00427 | 3-Methylguanine |
| 578-76-7 | M043- | KOX00428 | 7-Methylguanine |
| 544-64-9 | M044- | KOX00430 | Myristoleate |
| M052- | KOX00431 | 4-Methylpentanoate | |
| 73-31-4 | M053- | KOX00432 | Melatonin |
| 73-31-4 | M053+ | KOX00433 | Melatonin |
| 50-44-2 | M054- | KOX00434 | 6-Mercaptopurine |
| 90-64-2 611-72-3 | M057- | KOX00436 | (S)-Mandelate |
| 75-93-4 | M062- | KOX00437 | Methyl sulfate |
| 526-99-8 | M065- | KOX00438 | Mucate |
| M067- | KOX00439 | N-Methylglutamate | |
| M067+ | KOX00440 | N-Methylglutamate | |
| 443-72-1 | M072- | KOX00441 | 6-Methylaminopurine |
| 5142-22-3 | M074- | KOX00442 | 1-Methyladenine |
| 5142-22-3 | M074+ | KOX00443 | 1-Methyladenine |
| M078- | KOX00444 | 5-Methoxy-3-indoleaceate | |
| M080- | KOX00446 | Mannose 1-phosphate | |
| M080+ | KOX00447 | Mannose 1-phosphate | |
| 61-68-7 | M089- | KOX00448 | Mefenamate |
| M104+ | KOX00451 | 6-Methylmercaptopurine | |
| 505-70-4 | M105- | KOX00452 | cis,cis-Muconic acid |
| M114- | KOX00453 | Methionine sulfoximine | |
| 119-68-6 | M127- | KOX00455 | N-Methylanthranilate |
| 10118-90-8 | M159- | KOX00458 | Minocycline |
| M163- | KOX00460 | (Methylthio)acetate | |
| 59-67-6 | N004- | KOX00461 | Nicotinate |
| 6600-40-4 | N009- | KOX00463 | Norvaline |
| 100-01-6 | N012+ | KOX00467 | p-Nitroaniline |
| 327-57-1 | N014- | KOX00468 | Norleucine |
| 22204-53-1 | N018- | KOX00470 | Naproxen |
| 328-50-7 | O002- | KOX00472 | 2-Oxoglutarate |
| 70-26-8 | O003- | KOX00473 | L-Ornithine |
| 98-79-3 | O008- | KOX00475 | L-5-Oxoproline |
| 34522-32-2 | O009- | KOX00477 | Octopine |
| 34522-32-2 | O009+ | KOX00478 | Octopine |
| 471-47-6 | O011- | KOX00479 | Oxamate |
| 504-15-4 | O013- | KOX00480 | Orcinol |
| O014- | KOX00481 | 4-Oxohexanoate | |
| 2149-82-8 | O015- | KOX00482 | Orotidine 5-monophosphate |
| 63-91-2 | P002- | KOX00484 | Phe |
| 63-91-2 | P002+ | KOX00485 | Phe |
| 138-08-9 | P007- | KOX00488 | Phosphoenolpyruvate |
| 66-72-8 | P014- | KOX00490 | Pyridoxal |
| 66-72-8 | P014+ | KOX00491 | Pyridoxal |
| P023- | KOX00492 | 5-Phosphorylribose 1-pyrophosphate | |
| 79-09-4 | P024- | KOX00493 | Propionate |
| 127-17-3 | P027- | KOX00494 | Pyruvate |
| P029- | KOX00495 | 2-Phosphoglycerate | |
| P031- | KOX00497 | 6-Phosphogluconate | |
| 79-83-4 | P032- | KOX00498 | Pantothenate |
| 701-64-4 | P033- | KOX00500 | Phenyl phosphate |
| 54-47-7 | P038- | KOX00502 | Pyridoxal 5-phosphate |
| 59703-84-3 | P039- | KOX00503 | Piperacillin |
| 59703-84-3 | P039+ | KOX00504 | Piperacillin |
| 471-25-0 | P040- | KOX00505 | Propiolate |
| 373-49-9 | P044- | KOX00506 | Palmitoleate |
| 3105-95-1 | P048- | KOX00507 | Pipecolate |
| 65-23-6 | P053- | KOX00509 | Pyridoxine |
| 65-23-6 | P053+ | KOX00510 | Pyridoxine |
| 51-52-5 | P055- | KOX00511 | Propylthiouracil |
| 51-52-5 | P055+ | KOX00512 | Propylthiouracil |
| 59-42-7 | P059- | KOX00513 | Phenylephrine |
| 111-16-0 | P063- | KOX00515 | Pimelate |
| 551-11-1 | P066- | KOX00516 | Prostaglandin F2a |
| 2238-90-6 | P067- | KOX00517 | Psychosine |
| 2238-90-6 | P067+ | KOX00518 | Psychosine |
| 36322-90-4 | P068- | KOX00519 | Piroxicam |
| 36322-90-4 | P068+ | KOX00520 | Piroxicam |
| 112-05-0 | P069- | KOX00521 | Pelargonate |
| 495-78-3 | P072- | KOX00522 | 3-(2-Hydroxyphenyl)propionate |
| 53-79-2 | P075- | KOX00525 | Puromycin |
| 53-79-2 | P075+ | KOX00526 | Puromycin |
| 88-99-3 | P080- | KOX00527 | Phthalate |
| 4042-36-8 | P092- | KOX00528 | D-5-Oxoproline |
| 4042-36-8 | P092+ | KOX00529 | D-5-Oxoproline |
| 89-00-9 | P094- | KOX00530 | 2,3-Pyridinedicarboxylate |
| 501-52-0 | P109- | KOX00532 | 3-Phenylpropionate |
| P111- | KOX00533 | 3-Phenyllactate | |
| P112- | KOX00534 | Pyrrole 2-carboxylate | |
| 529-96-4 | P113- | KOX00535 | Pyridoxamine 5-phosphate |
| 85-87-0 | P116- | KOX00537 | Pyridoxamine |
| 36357-77-4 | P122- | KOX00538 | Phosphoramidon |
| 36357-77-4 | P122+ | KOX00539 | Phosphoramidon |
| 122-59-8 | P129- | KOX00540 | Phenoxyacetate |
| 52809-07-1 | Q003- | KOX00541 | Quisqualate |
| Q004- | KOX00543 | Quinate | |
| R002- | KOX00544 | Ribose 5-phosphate | |
| 24218-00-6 | R005- | KOX00545 | Ribulose 1,5-diphosphate |
| 25546-65-0 | R016- | KOX00546 | Ribostamycin |
| 25546-65-0 | R016+ | KOX00547 | Ribostamycin |
| 14075-00-4 | R017- | KOX00548 | Ribose 1-phosphate |
| 478-43-3 | R037- | KOX00550 | Rhein |
| R041- | KOX00551 | Ranitidine | |
| R041+ | KOX00552 | Ranitidine | |
| 56-45-1 | S002- | KOX00553 | Ser |
| 56-45-1 | S002+ | KOX00554 | Ser |
| 110-15-6 | S004- | KOX00555 | Succinate |
| 138-59-0 | S012- | KOX00556 | Shikimate |
| 505-48-6 | S013- | KOX00557 | Suberate |
| 505-48-6 | S013+ | KOX00558 | Suberate |
| 107-97-1 | S014- | KOX00559 | Sarcosine |
| 107-97-1 | S014+ | KOX00560 | Sarcosine |
| 123-56-8 | S015- | KOX00561 | Succinimide |
| 111-20-6 | S017- | KOX00562 | Sebacate |
| 530-57-4 | S018- | KOX00563 | Syringate |
| 87-73-0 | S025- | KOX00564 | Saccharate |
| 530-59-6 | S028- | KOX00565 | Sinapate |
| 57-92-1 | S031- | KOX00566 | Streptomycin sulfate |
| 32385-11-8 | S047- | KOX00569 | Sisomicin |
| 20479-58-7 | S049- | KOX00572 | Sorbitol 6-phosphate |
| 20479-58-7 | S049+ | KOX00573 | Sorbitol 6-phosphate |
| 636-78-2 | S052- | KOX00574 | 4-Sulfobenzoate |
| 121-57-3 | S073- | KOX00575 | Sulfanilate |
| 72-14-0 | S079- | KOX00576 | Sulfathiazole |
| 72-14-0 | S079+ | KOX00577 | Sulfathiazole |
| 2646-35-7 | S083- | KOX00578 | Sedoheptulose 7-phosphate |
| 60-18-4 | T002- | KOX00579 | Tyr |
| 60-18-4 | T002+ | KOX00580 | Tyr |
| 73-22-3 | T003- | KOX00581 | Trp |
| 73-22-3 | T003+ | KOX00582 | Trp |
| 107-35-7 | T004- | KOX00583 | Taurine |
| 107-35-7 | T004+ | KOX00584 | Taurine |
| 72-19-5 | T010- | KOX00585 | Thr |
| 72-19-5 | T010+ | KOX00586 | Thr |
| 50-89-5 | T014- | KOX00587 | Thymidine |
| 65-71-4 | T015- | KOX00589 | Thymine |
| 80-59-1 | T016- | KOX00591 | Tiglate |
| 28954-12-3 | T020- | KOX00592 | allo-threonine |
| 28954-12-3 | T020+ | KOX00593 | allo-threonine |
| 87-69-4 | T023- | KOX00594 | Tartarate |
| 58-55-9 | T029- | KOX00595 | Theophylline |
| 118-90-1 | T038- | KOX00597 | o-Toluate |
| 6893-02-3 | T040- | KOX00598 | 3,3,5-Triiodothyronine |
| 6893-02-3 | T040+ | KOX00599 | 3,3,5-Triiodothyronine |
| 81-24-3 | T043- | KOX00600 | Taurocholate |
| 81-24-3 | T043+ | KOX00601 | Taurocholate |
| 80-69-3 | T050- | KOX00602 | Tartronate |
| T054- | KOX00603 | Tryptophanamide | |
| T054+ | KOX00604 | Tryptophanamide | |
| 59-43-8 | T056+ | KOX00606 | Thiamine |
| 532-40-1 | T057+ | KOX00608 | Thiamine monophosphate |
| 529-64-6 552-63-6 | T059- | KOX00609 | Tropate |
| 4484-88-2 | T065- | KOX00610 | Trehalose 6-phosphate |
| 4484-88-2 | T065+ | KOX00611 | Trehalose 6-phosphate |
| T072- | KOX00612 | Taurolithocholate | |
| T072+ | KOX00613 | Taurolithocholate | |
| 100-21-0 | T100- | KOX00614 | Terephthalate |
| 43121-43-3 | T112- | KOX00615 | Triadimefon |
| 93-76-5 | T113- | KOX00617 | 2,4,5-Trichlorophenoxyacetate |
| 66-22-8 | U004- | KOX00618 | Uracil |
| 104-98-3 | U011- | KOX00619 | Urocanate |
| 104-98-3 | U011+ | KOX00620 | Urocanate |
| 112-37-8 | U012- | KOX00621 | Undecanoate |
| 72-18-4 | V001- | KOX00622 | Val |
| 72-18-4 | V001+ | KOX00623 | Val |
| 109-52-4 | V002- | KOX00624 | Pentanoate |
| 99-66-1 | V003- | KOX00625 | Valproate |
| 59-00-7 | X004- | KOX00627 | Xanthurenate |
| 59-00-7 | X004+ | KOX00628 | Xanthurenate |
| X008- | KOX00629 | Xylose 1-phosphate | |
| 7481-89-2 | Z001- | KOX00630 | Zalcitabine |
| 7481-89-2 | Z001+ | KOX00631 | Zalcitabine |
| 1637-39-4 | Z002- | KOX00632 | trans-Zeatin |
| 1637-39-4 | Z002+ | KOX00633 | trans-Zeatin |
| 1160-54-9 | Z003- | KOX00634 | Z-Gly-Pro |
| 5192-23-4 | A035+ | KOX00637 | 4-Aminoindole |
| 151-18-8 | A044+ | KOX00639 | 3-Aminopropionitrile |
| A046+ | KOX00640 | 3-Amino-1,2-propanediol | |
| 18233-70-0 | A051+ | KOX00641 | N-Acetylputrescine |
| 62-53-3 | A054+ | KOX00643 | Aniline |
| 768-94-5 | A061+ | KOX00645 | 1-Adamantanamine |
| 494-52-0 | A068+ | KOX00647 | Anabasine |
| 58-15-1 | A069+ | KOX00648 | Aminopyrine |
| 51-55-8 | A080+ | KOX00649 | Atropine |
| A103+ | KOX00652 | Arginine ethyl ester | |
| 306-60-5 | A104+ | KOX00653 | Agmatine |
| 77928-70-2 | A111+ | KOX00654 | N1-Acetylspermine |
| 95-55-6 | A114+ | KOX00656 | 2-Aminophenol |
| 321-64-2 | A123+ | KOX00657 | 9-Amino-1,2,3,4-tetrahydroacridine |
| 24240-04-8 485-91-6 | A137+ | KOX00658 | Allocryptopine |
| A143+ | KOX00659 | O-Acetylcarnitine | |
| 20537-88-6 | A170+ | KOX00661 | Amifostine |
| 77-86-1 | A194+ | KOX00662 | 2-Amino-2-(hydroxymethyl)-1,3-propanediol |
| 69-53-4 | A197+ | KOX00663 | Ampicillin |
| 1007-28-9 | A203+ | KOX00664 | Deisopropylatrazine |
| 2609-46-3 | A225+ | KOX00666 | Amiloride |
| 37517-28-5 | A239+ | KOX00668 | Amikacin |
| 110-60-1 | B001+ | KOX00669 | 1,4-Butanediamine |
| 618-39-3 | B004+ | KOX00670 | Benzamidine |
| 55-21-0 | B009+ | KOX00671 | Benzamide |
| 692-13-7 | B010+ | KOX00672 | Buformin |
| 94-09-7 | B011+ | KOX00673 | Benzocaine |
| B013+ | KOX00674 | Baclofen | |
| B026+ | KOX00676 | Na-Benzenolarginine ethylester | |
| 107-43-7 | B047+ | KOX00681 | Betaine |
| 57-00-1 | C008+ | KOX00683 | Creatine |
| 58-08-2 | C028+ | KOX00684 | Caffeine |
| 462-94-2 | C032+ | KOX00685 | 1,5-Diaminopentane |
| 541-15-1 | C041+ | KOX00686 | Carnitine |
| 56-88-2 | C047+ | KOX00689 | Cystathionine |
| 100-70-9 | C089+ | KOX00690 | 2-Cyanopyridine |
| 85721-33-1 | C133+ | KOX00692 | Ciprofloxacin |
| 10605-21-7 | C170+ | KOX00693 | Carbendazim |
| C191+ | KOX00695 | Clonidine | |
| 407-64-7 | C220+ | KOX00696 | g-Butyrobetaine |
| 111-42-2 | D033+ | KOX00698 | Diethanolamine |
| 109-76-2 | D035+ | KOX00699 | 1,3-Diaminopropane |
| 1118-68-9 | D036+ | KOX00700 | N,N-Dimethylglycine |
| 1758-80-1 | D038+ | KOX00702 | 2,4-Diaminobutyrate |
| 579-66-8 | D039+ | KOX00703 | 2,6-Diethylaniline |
| 122-39-4 | D044+ | KOX00704 | Diphenylamine |
| 2037-48-1 | D061+ | KOX00705 | 2-Deoxystreptamine |
| 2457-80-9 | D067- | KOX00706 | 5-Deoxy-5-Methylthioadenosine |
| 2457-80-9 | D067+ | KOX00707 | 5-Deoxy-5-Methylthioadenosine |
| 958-09-8 | D069+ | KOX00708 | 2-Deoxyadenosine |
| 533-48-2 | D075+ | KOX00709 | Desthiobiotin |
| 764-22-7 | D078+ | KOX00710 | Dihydrosphingosine |
| 4754-39-6 | D082+ | KOX00711 | 5-Deoxyadenosine |
| D083+ | KOX00712 | Dimethyl malate | |
| 124-40-3 | D103+ | KOX00714 | Dimethylamine |
| 20830-81-3 | D106+ | KOX00715 | Daunorubicin |
| 2431-96-1 | D122+ | KOX00718 | Diethyl-2-phenylacetamide |
| 95-68-1 | D180+ | KOX00720 | 2,4-Dimethylaniline |
| 479-18-5 | D183+ | KOX00721 | Dyphylline |
| 57-47-6 | E007+ | KOX00723 | Eserine |
| 128-53-0 | E008+ | KOX00724 | N-Ethylmaleimide |
| 141-43-5 | E023+ | KOX00726 | Ethanolamine |
| 75-04-7 | E025+ | KOX00727 | Ethylamine |
| F013+ | KOX00730 | Butyl pyridine-2-carboxylate | |
| 371-40-4 | F048+ | KOX00732 | 4-Fluoroaniline |
| 5959-95-5 | G006+ | KOX00733 | D-Gln |
| 27025-41-8 | G008+ | KOX00734 | Oxidized glutathione |
| 3616-42-0 | G021- | KOX00735 | Glucosamine 6-phosphate |
| 3616-42-0 | G021+ | KOX00736 | Glucosamine 6-phosphate |
| G039+ | KOX00737 | b-Guanidinopropionate | |
| 87-52-5 | G041+ | KOX00738 | Gramine |
| 7535-00-4 | G046+ | KOX00739 | Galactosamine |
| 3416-24-8 | G051+ | KOX00740 | Glucosamine |
| G069+ | KOX00741 | Glycerophosphorylcholine | |
| 672-15-1 | H003+ | KOX00743 | Homoserine |
| 51-35-4 | H004+ | KOX00744 | Hydroxyproline |
| 142-08-5 | H021+ | KOX00745 | 2-Hydroxypyridine |
| 822-55-9 | H025+ | KOX00746 | 4-Hydroxymethylimidazole |
| 101-31-5 | H045+ | KOX00747 | Hyoscyamine |
| H050+ | KOX00748 | 3-Hydroxykynurenine | |
| 51-45-6 | H058+ | KOX00749 | Histamine |
| H069+ | KOX00750 | Histidinol | |
| 127-07-1 | H104+ | KOX00753 | Hydroxyurea |
| H112+ | KOX00754 | Hexamethylene tetramine | |
| 645-65-8 | I014+ | KOX00756 | Imidazole-4-acetate |
| 55-22-1 | I017+ | KOX00757 | Isonicotinate |
| 288-32-4 | I046+ | KOX00759 | Imidazole |
| 1453-82-3 | I051+ | KOX00760 | Isonicotinamide |
| I053+ | KOX00761 | b-Imidazolelactate | |
| 55-65-2 | I063+ | KOX00762 | Ismelin |
| 119-65-3 | I067+ | KOX00763 | Isoquinoline |
| 343-65-7 | K004+ | KOX00766 | Kynurenine |
| 6740-88-1 | K005+ | KOX00767 | Ketamine |
| L027+ | KOX00769 | Lysinamide | |
| 53179-11-6 | L047+ | KOX00772 | Loperamide |
| L057+ | KOX00773 | b-Leucine | |
| 137-00-8 | M013+ | KOX00775 | 4-Methyl-5-thiazoleethanol |
| 872-50-4 | M024+ | KOX00776 | 1-Methyl-2-pyrrolidone |
| M025- | KOX00777 | a-Methylserine | |
| M025+ | KOX00778 | a-Methylserine | |
| 554-01-8 | M029+ | KOX00779 | 5-Methylcytosine |
| 5142-23-4 | M030+ | KOX00780 | 3-Methyladenine |
| M033+ | KOX00782 | Metronidazole | |
| 28289-54-5 | M034+ | KOX00783 | 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine |
| 60-40-2 | M039+ | KOX00784 | Mecamylamine |
| 61-73-4 | M047+ | KOX00785 | Methylene blue |
| 15763-06-1 | M051+ | KOX00787 | 1-Methyladenosine |
| 100-61-8 | M066+ | KOX00789 | N-Methylaniline |
| 555-57-7 | M071+ | KOX00790 | N-Methyl-N-propagylbenzylamine |
| M076+ | KOX00791 | L-3-Methylhistidine | |
| 368-16-1 | M077- | KOX00792 | D-3-Methylhistidine |
| 368-16-1 | M077+ | KOX00793 | D-3-Methylhistidine |
| 14307-02-9 | M081+ | KOX00794 | Mannosamine |
| 1114-41-6 | M082+ | KOX00795 | Muramate |
| 60-99-1 | M099+ | KOX00796 | Methotrimeprazine |
| 61-49-4 | M101+ | KOX00797 | Nw-Methyltryptamine |
| 1019-45-0 | M103+ | KOX00798 | 5-Methoxy-N,N-dimethyltryptamine |
| 2002-35-9 | M110+ | KOX00799 | N6-Methyl-2-deoxyadenosine |
| 54-36-4 | M111+ | KOX00800 | Metyrapone |
| 101-14-4 | M142+ | KOX00804 | 4,4-Methylene bis(o-chloroaniline) |
| 390-28-3 | M169+ | KOX00808 | Methoxamine |
| 532-12-7 | M172+ | KOX00809 | Myosmine |
| 54-11-5 | N016+ | KOX00811 | Nicotine |
| 114-80-7 | N063+ | KOX00815 | Neostigmine |
| 111-86-4 | O007+ | KOX00819 | Octylamine |
| 110-89-4 | P034+ | KOX00822 | Piperidine |
| 25265-76-3 108-45-2 | P035+ | KOX00823 | 1,3-Phenylenediamine |
| 94-78-0 | P036+ | KOX00824 | Phenazopyridine |
| 98-98-6 | P045+ | KOX00826 | 2-Picolate |
| 110-85-0 | P046+ | KOX00827 | Piperazine |
| 64-04-0 | P047+ | KOX00828 | Phenylethylamine |
| 120-73-0 | P049+ | KOX00829 | Purine |
| 552-70-5 | P054+ | KOX00830 | Pseudopelletierine |
| 66-71-7 | P057+ | KOX00832 | o-Phenanthroline |
| 125-33-7 | P061+ | KOX00834 | Primidone |
| 130-86-9 | P070+ | KOX00836 | Protopine |
| 3486-67-7 | P071+ | KOX00837 | Palmatine |
| 82-82-6 | P079- | KOX00839 | 4-Pyridoxate |
| 82-82-6 | P079+ | KOX00840 | 4-Pyridoxate |
| 550-33-4 9030-21-1 | P081+ | KOX00841 | Purine riboside |
| 288-13-1 | P095- | KOX00844 | Pyrazole |
| 288-13-1 | P095+ | KOX00845 | Pyrazole |
| 98-96-4 | P098+ | KOX00846 | Pyrazinamide |
| 1452-77-3 | P099+ | KOX00847 | Picolinamide |
| 1189-11-3 | P105+ | KOX00848 | Phosphoarginine |
| 39809-25-1 | P157+ | KOX00851 | Penciclovir |
| 23103-98-2 | P177+ | KOX00852 | Pirimicarb |
| 40487-42-1 | P183+ | KOX00853 | Prowl (TM) |
| 59-46-1 | P190+ | KOX00854 | Procaine |
| P206+ | KOX00857 | Phenoxybenzamine | |
| P209+ | KOX00858 | Pentamidine | |
| 59-31-4 | Q001+ | KOX00859 | 2(1H)-Quinolinone |
| 91-22-5 | Q008+ | KOX00860 | Quinoline |
| 124-20-9 | S003+ | KOX00861 | Spermidine |
| 71-44-3 | S011+ | KOX00862 | Spermine |
| 63-74-1 | S016+ | KOX00863 | Sulfanilamide |
| 57-56-7 | S034+ | KOX00864 | Semicarbazide |
| 51-34-3 | S040+ | KOX00865 | Scopolamine |
| 50-67-9 | S041+ | KOX00866 | Serotonin |
| 2447-54-3 | S042+ | KOX00867 | Sanguinarine |
| 38194-50-2 | S054+ | KOX00869 | Sulindac |
| 614-35-7 | S058+ | KOX00870 | Synephrine |
| 51-67-2 | T008+ | KOX00872 | Tyramine |
| 102-71-6 | T022+ | KOX00874 | Triethanolamine |
| T028+ | KOX00877 | Thiabendazole | |
| T030+ | KOX00878 | Tolazoline | |
| 61-54-1 | T031+ | KOX00879 | Tryptamine |
| 1080-06-4 | T032+ | KOX00880 | Tyrosine methyl ester |
| 738-70-5 | T033+ | KOX00881 | Trimethoprim |
| 10097-84-4 | T041+ | KOX00882 | Tetrahydropalmatine |
| 26171-23-3 | T044+ | KOX00883 | Tolmetin |
| 535-83-1 | T060+ | KOX00886 | Trigonelline |
| T098+ | KOX00888 | Timolol | |
| 117-89-5 | T122+ | KOX00890 | Trifluoperazine |
| 65899-73-2 | T123+ | KOX00891 | Tioconazole |
| T126+ | KOX00892 | Terbutaline | |
| 58-96-8 | U006+ | KOX00893 | Uridine |
| 51235-04-2 | V020+ | KOX00894 | Velpar |
| 52-53-9 | V021+ | KOX00895 | Verapamil |
| 14331-49-8 | X012- | KOX00896 | Xanthopterin |
| 14331-49-8 | X012+ | KOX00897 | Xanthopterin |
| 102-32-9 | D003- | KOX00898 | 3,4-Dihydroxyphenylacetate |
| D030- | KOX00899 | 2,6-Diaminoheptanedioate | |
| 88-21-1 | M131- | KOX00901 | Metanilate |
| 54965-21-8 | A082+ | KOX00902 | Albendazole |
| A166+ | KOX00904 | Acetohydrazide | |
| 111-26-2 | H024+ | KOX00908 | Hexylamine |
| 78-81-9 | I064+ | KOX00909 | Isobutylamine |
| 501-75-7 | M022+ | KOX00911 | 1-Methylhistamine |
| 494-97-3 | N044+ | KOX00912 | Nornicotine |
| 289-95-2 | P042+ | KOX00913 | Pyrimidine |
| 57-13-6 | U005+ | KOX00914 | Urea |
