compounds.yaml

- id: CPD0001
  name: H2O
  charge: 0
- id: CPD0002
  name: ATP
  charge: -4
- id: CPD0003
  name: NAD
  charge: -1
- id: CPD0004
  name: NADH
  charge: -2
- id: CPD0005
  name: NADPH
  charge: -4
- id: CPD0006
  name: NADP
  charge: -3
- id: CPD0007
  name: Oxygen
  charge: 0
- id: CPD0008
  name: ADP
  charge: -3
- id: CPD0009
  name: Orthophosphate
  charge: -2
- id: CPD0010
  name: CoA
  charge: -4
- id: CPD0011
  name: CO2
  charge: 0
- id: CPD0012
  name: Diphosphate
  charge: -3
- id: CPD0013
  name: NH3
  charge: 1
- id: CPD0014
  name: UDP
  charge: -3
- id: CPD0015
  name: FAD
  charge: -2
- id: CPD0016
  name: Pyridoxalphosphate
  charge: -2
- id: CPD0017
  name: S-Adenosyl-L-methionine
  charge: 0
- id: CPD0018
  name: AMP
  charge: -2
- id: CPD0019
  name: S-Adenosyl-L-homocysteine
  charge: 0
- id: CPD0020
  name: Pyruvate
  charge: -1
- id: CPD0021
  name: Acetyl-CoA
  charge: -4
- id: CPD0022
  name: L-Glutamate
  charge: -1
- id: CPD0023
  name: 2-Oxoglutarate
  charge: -2
- id: CPD0024
  name: H2O2
  charge: 0
- id: CPD0025
  name: UDP-glucose
  charge: -2
- id: CPD0026
  name: D-Glucose
  charge: 0
- id: CPD0027
  name: Acetate
  charge: -1
- id: CPD0028
  name: GDP
  charge: -3
- id: CPD0029
  name: Oxaloacetate
  charge: -2
- id: CPD0030
  name: Glycine
  charge: 0
- id: CPD0031
  name: dIDP
  charge: -3
- id: CPD0032
  name: Acyl-CoA
  charge: -4
- id: CPD0033
  name: L-Alanine
  charge: 0
- id: CPD0034
  name: Succinate
  charge: -2
- id: CPD0035
  name: UDP-N-acetyl-D-glucosamine
  charge: -2
- id: CPD0036
  name: GTP
  charge: -4
- id: CPD0037
  name: Bacteriochlorophyllidea
  charge: -2
- id: CPD0038
  name: L-Lysine
  charge: 1
- id: CPD0039
  name: Glyoxylate
  charge: -1
- id: CPD0040
  name: L-Aspartate
  charge: -1
- id: CPD0041
  name: Glutathione
  charge: -1
- id: CPD0042
  name: UDP-D-galactose
  charge: -2
- id: CPD0043
  name: 3'-Phosphoadenylylsulfate
  charge: -4
- id: CPD0044
  name: Adenosine3',5'-bisphosphate
  charge: -4
- id: CPD0045
  name: CMP
  charge: -2
- id: CPD0046
  name: Formate
  charge: -1
- id: CPD0047
  name: Sulfate
  charge: -2
- id: CPD0048
  name: Bacteriochlorophyllideb
  charge: -2
- id: CPD0049
  name: FMN
  charge: -2
- id: CPD0050
  name: L-Arginine
  charge: 1
- id: CPD0051
  name: CTP
  charge: -4
- id: CPD0052
  name: L-Glutamine
  charge: 0
- id: CPD0053
  name: L-Serine
  charge: 0
- id: CPD0054
  name: Formaldehyde
  charge: 0
- id: CPD0055
  name: Thiamindiphosphate
  charge: -1
- id: CPD0056
  name: HemeA
  charge: -2
- id: CPD0057
  name: L-Methionine
  charge: 0
- id: CPD0058
  name: Phosphoenolpyruvate
  charge: -3
- id: CPD0059
  name: UTP
  charge: -4
- id: CPD0060
  name: L-Ornithine
  charge: 1
- id: CPD0061
  name: L-Tryptophan
  charge: 0
- id: CPD0062
  name: L-Phenylalanine
  charge: 0
- id: CPD0063
  name: H
  charge: 1
- id: CPD0064
  name: L-Tyrosine
  charge: 0
- id: CPD0065
  name: Malonyl-CoA
  charge: -4
- id: CPD0066
  name: Acetaldehyde
  charge: 0
- id: CPD0067
  name: D-Fructose6-phosphate
  charge: -2
- id: CPD0068
  name: Urea
  charge: 0
- id: CPD0069
  name: Sulfur
  charge: 0
- id: CPD0070
  name: Sucrose
  charge: 0
- id: CPD0071
  name: Succinyl-CoA
  charge: -5
- id: CPD0072
  name: D-Glucose6-phosphate
  charge: -2
- id: CPD0073
  name: sn-Glycerol3-phosphate
  charge: -2
- id: CPD0074
  name: Sulfite
  charge: -2
- id: CPD0075
  name: D-Fructose
  charge: 0
- id: CPD0076
  name: GDP-mannose
  charge: -2
- id: CPD0077
  name: L-Cysteine
  charge: 0
- id: CPD0078
  name: beta-Alanine
  charge: 0
- id: CPD0079
  name: Propanoyl-CoA
  charge: -4
- id: CPD0080
  name: Tetrahydrofolate
  charge: -2
- id: CPD0081
  name: D-Glucose1-phosphate
  charge: -2
- id: CPD0082
  name: UMP
  charge: -2
- id: CPD0083
  name: Uracil
  charge: 0
- id: CPD0084
  name: Anthranilate
  charge: -1
- id: CPD0085
  name: 2-Oxobutanoate
  charge: -1
- id: CPD0086
  name: Glyceronephosphate
  charge: -2
- id: CPD0087
  name: CDP
  charge: -3
- id: CPD0088
  name: Choline
  charge: 1
- id: CPD0089
  name: Glycerol
  charge: 0
- id: CPD0090
  name: D-Ribose5-phosphate
  charge: -2
- id: CPD0091
  name: D-Glyceraldehyde3-phosphate
  charge: -2
- id: CPD0092
  name: 5-Phospho-alpha-D-ribose1-diphosphate
  charge: -5
- id: CPD0093
  name: Biotin
  charge: -1
- id: CPD0094
  name: D-Ribose
  charge: 0
- id: CPD0095
  name: Fumarate
  charge: -2
- id: CPD0096
  name: L-Leucine
  charge: 0
- id: CPD0097
  name: Ferricytochromec
  charge: 5
- id: CPD0098
  name: Ferrocytochromec
  charge: 4
- id: CPD0099
  name: Glutathionedisulfide
  charge: -2
- id: CPD0100
  name: Isopentenyldiphosphate
  charge: -3
- id: CPD0101
  name: IMP
  charge: -2
- id: CPD0102
  name: dATP
  charge: -4
- id: CPD0103
  name: Methanol
  charge: 0
- id: CPD0104
  name: D-Alanine
  charge: 0
- id: CPD0105
  name: Putrescine
  charge: 2
- id: CPD0106
  name: L-Histidine
  charge: 0
- id: CPD0108
  name: N-Acetyl-D-glucosamine
  charge: 0
- id: CPD0109
  name: 3-Methyl-2-oxobutanoicacid
  charge: -1
- id: CPD0110
  name: 5,10-Methylenetetrahydrofolate
  charge: -2
- id: CPD0111
  name: GMP
  charge: -2
- id: CPD0112
  name: Adenine
  charge: 0
- id: CPD0113
  name: L-Proline
  charge: 0
- id: CPD0114
  name: (S)-Malate
  charge: -2
- id: CPD0115
  name: L-Asparagine
  charge: 0
- id: CPD0116
  name: Nicotinamide
  charge: 0
- id: CPD0117
  name: L-Homocysteine
  charge: 0
- id: CPD0118
  name: Phosphatidylcholine
  charge: 0
- id: CPD0119
  name: Citrate
  charge: -3
- id: CPD0120
  name: Glycolate
  charge: -1
- id: CPD0121
  name: HemeO
  charge: -2
- id: CPD0123
  name: Acetoacetate
  charge: -1
- id: CPD0124
  name: UDP-glucuronate
  charge: -3
- id: CPD0125
  name: Hydroxypyruvate
  charge: -1
- id: CPD0126
  name: Carbamoylphosphate
  charge: -2
- id: CPD0127
  name: 5'-Methylthioadenosine
  charge: 0
- id: CPD0128
  name: Lauroyl-KDO2-lipidIV(A)
  charge: -6
- id: CPD0129
  name: Cobaltion
  charge: 2
- id: CPD0130
  name: Thymine
  charge: 0
- id: CPD0131
  name: Agmatine
  charge: 2
- id: CPD0132
  name: Benzoate
  charge: -1
- id: CPD0133
  name: L-Valine
  charge: 0
- id: CPD0134
  name: Cellobiose
  charge: 0
- id: CPD0135
  name: (S)-Lactate
  charge: -1
- id: CPD0136
  name: L-Threonine
  charge: 0
- id: CPD0137
  name: D-Glucuronate
  charge: -1
- id: CPD0138
  name: Cobamidecoenzyme
  charge: 0
- id: CPD0140
  name: 3-Phospho-D-glycerate
  charge: -3
- id: CPD0141
  name: D-Glucono-1,5-lactone
  charge: 0
- id: CPD0142
  name: D-Ribulose5-phosphate
  charge: -2
- id: CPD0143
  name: Octadecanoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD0144
  name: 2-Dehydro-3-deoxy-D-gluconate
  charge: -1
- id: CPD0145
  name: Maltose
  charge: 0
- id: CPD0146
  name: Adenosine
  charge: 0
- id: CPD0147
  name: Sarcosine
  charge: 0
- id: CPD0148
  name: Thymidine
  charge: 0
- id: CPD0149
  name: (2E)-Octadecenoyl-[acp]
  charge: -1
- id: CPD0150
  name: D-Glutamate
  charge: -1
- id: CPD0151
  name: Nickel
  charge: 2
- id: CPD0152
  name: 3-Oxopropanoate
  charge: -1
- id: CPD0154
  name: Hexadecanoicacid
  charge: -1
- id: CPD0155
  name: Acetylphosphate
  charge: -2
- id: CPD0156
  name: Acyl-carrierprotein
  charge: -1
- id: CPD0157
  name: D-Xylulose5-phosphate
  charge: -2
- id: CPD0158
  name: Succinatesemialdehyde
  charge: -1
- id: CPD0159
  name: 10-Formyltetrahydrofolate
  charge: -2
- id: CPD0160
  name: Dimethylallyldiphosphate
  charge: -3
- id: CPD0161
  name: 3-Phospho-D-glyceroylphosphate
  charge: -4
- id: CPD0162
  name: Guanine
  charge: 0
- id: CPD0164
  name: Pyridoxal
  charge: 0
- id: CPD0165
  name: Chorismate
  charge: -2
- id: CPD0166
  name: Nicotinate
  charge: -1
- id: CPD0167
  name: Prephenate
  charge: -2
- id: CPD0168
  name: Riboflavin
  charge: 0
- id: CPD0169
  name: (R)-Lactate
  charge: -1
- id: CPD0170
  name: D-Gluconicacid
  charge: -1
- id: CPD0171
  name: Hypoxanthine
  charge: 0
- id: CPD0172
  name: L-Homoserine
  charge: 0
- id: CPD0173
  name: dCTP
  charge: -4
- id: CPD0174
  name: Glycolaldehyde
  charge: 0
- id: CPD0176
  name: CDP-diacylglycerol
  charge: -2
- id: CPD0177
  name: D-Mannose6-phosphate
  charge: -2
- id: CPD0178
  name: D-Erythrose4-phosphate
  charge: -2
- id: CPD0179
  name: Hydrogensulfide
  charge: 0
- id: CPD0180
  name: dGTP
  charge: -4
- id: CPD0181
  name: HCO3-
  charge: -1
- id: CPD0182
  name: Inosine
  charge: 0
- id: CPD0183
  name: Orotate
  charge: -1
- id: CPD0184
  name: Uridine
  charge: 0
- id: CPD0186
  name: Magnesium
  charge: 2
- id: CPD0187
  name: D-Ribulose
  charge: 0
- id: CPD0188
  name: D-Xylulose
  charge: 0
- id: CPD0189
  name: Isocitrate
  charge: -3
- id: CPD0190
  name: GDP-L-fucose
  charge: -2
- id: CPD0191
  name: L-Citrulline
  charge: 0
- id: CPD0193
  name: Deoxyguanosine
  charge: 0
- id: CPD0194
  name: Acetoacetyl-CoA
  charge: -4
- id: CPD0195
  name: (S)-Dihydroorotate
  charge: -1
- id: CPD0196
  name: Geranyldiphosphate
  charge: -3
- id: CPD0197
  name: Thioredoxin
  charge: 0
- id: CPD0198
  name: Thioredoxindisulfide
  charge: 0
- id: CPD0199
  name: Phosphatidylglycerol
  charge: -1
- id: CPD0200
  name: 6-Phospho-D-gluconate
  charge: -3
- id: CPD0201
  name: ITP
  charge: -4
- id: CPD0203
  name: Phosphatidylethanolamine
  charge: 0
- id: CPD0204
  name: D-Glucosamine6-phosphate
  charge: -1
- id: CPD0205
  name: Geranylgeranyldiphosphate
  charge: -2
- id: CPD0206
  name: D-Fructose1,6-bisphosphate
  charge: -4
- id: CPD0207
  name: (S)-3-Hydroxy-3-methylglutaryl-CoA
  charge: -4
- id: CPD0208
  name: N-Acetyl-D-glucosamine6-phosphate
  charge: -2
- id: CPD0209
  name: dTDP
  charge: -3
- id: CPD0210
  name: dTMP
  charge: -2
- id: CPD0211
  name: dUMP
  charge: -2
- id: CPD0213
  name: Cytosine
  charge: 0
- id: CPD0214
  name: Xanthine
  charge: 0
- id: CPD0215
  name: Ubiquinol
  charge: 0
- id: CPD0217
  name: Ubiquinone
  charge: 0
- id: CPD0218
  name: IDP
  charge: -3
- id: CPD0219
  name: L-Isoleucine
  charge: 0
- id: CPD0220
  name: Methanethiol
  charge: 0
- id: CPD0221
  name: Dihydrofolate
  charge: -2
- id: CPD0222
  name: Phosphatidate
  charge: -2
- id: CPD0223
  name: (S)-Lactaldehyde
  charge: 0
- id: CPD0224
  name: 5,6-Dihydrouracil
  charge: 0
- id: CPD0225
  name: 5-Aminolevulinate
  charge: 0
- id: CPD0227
  name: N-Acetylornithine
  charge: 0
- id: CPD0228
  name: N-Carbamoyl-L-aspartate
  charge: -2
- id: CPD0229
  name: N-Formimino-L-glutamate
  charge: -1
- id: CPD0230
  name: 5-Methyltetrahydrofolate
  charge: -1
- id: CPD0231
  name: L-Aspartate4-semialdehyde
  charge: 0
- id: CPD0232
  name: 5,10-Methenyltetrahydrofolate
  charge: -1
- id: CPD0233
  name: trans,trans-Farnesyldiphosphate
  charge: -3
- id: CPD0235
  name: NicotinamideD-ribonucleotide
  charge: -1
- id: CPD0236
  name: dTTP
  charge: -4
- id: CPD0237
  name: Deoxyuridine
  charge: 0
- id: CPD0238
  name: Indole
  charge: 0
- id: CPD0239
  name: Ribitol
  charge: 0
- id: CPD0240
  name: Cytidine
  charge: 0
- id: CPD0241
  name: Formamide
  charge: 0
- id: CPD0242
  name: Shikimate
  charge: -1
- id: CPD0243
  name: ADP-glucose
  charge: -2
- id: CPD0245
  name: D-Mannonate
  charge: -1
- id: CPD0246
  name: (R)-Pantoate
  charge: -1
- id: CPD0247
  name: Triphosphate
  charge: -4
- id: CPD0248
  name: Methylglyoxal
  charge: 0
- id: CPD0249
  name: meso-Tartaricacid
  charge: -2
- id: CPD0250
  name: 4-Aminobenzoate
  charge: -1
- id: CPD0251
  name: Betainealdehyde
  charge: 1
- id: CPD0254
  name: Cholinephosphate
  charge: 0
- id: CPD0255
  name: (-)-Ureidoglycolate
  charge: -1
- id: CPD0256
  name: Deoxyinosine
  charge: 0
- id: CPD0258
  name: alpha-D-Ribose1-phosphate
  charge: -2
- id: CPD0259
  name: N-Acetyl-L-glutamate
  charge: -2
- id: CPD0260
  name: 2-Phospho-D-glycerate
  charge: -3
- id: CPD0261
  name: D-Mannose1-phosphate
  charge: -2
- id: CPD0263
  name: 1,2-Diacyl-sn-glycerol
  charge: 0
- id: CPD0264
  name: Pyridoxaminephosphate
  charge: -1
- id: CPD0265
  name: Xanthosine5'-phosphate
  charge: -2
- id: CPD0267
  name: LL-2,6-Diaminoheptanedioate
  charge: 0
- id: CPD0268
  name: Sedoheptulose1,7-bisphosphate
  charge: -4
- id: CPD0269
  name: gamma-L-Glutamyl-L-cysteine
  charge: -1
- id: CPD0271
  name: (S)-3-Methyl-2-oxopentanoicacid
  charge: -1
- id: CPD0272
  name: 2-Deoxy-D-ribose1-phosphate
  charge: -2
- id: CPD0273
  name: 2-Deoxy-D-ribose5-phosphate
  charge: -2
- id: CPD0275
  name: meso-2,6-Diaminoheptanedioate
  charge: 0
- id: CPD0276
  name: 1-Acyl-sn-glycerol3-phosphate
  charge: -2
- id: CPD0277
  name: (2S)-Methylmalonyl-CoA
  charge: -5
- id: CPD0278
  name: 4-Hydroxy-2-oxoglutarate
  charge: -2
- id: CPD0279
  name: dTDP-4-dehydro-6-deoxy-L-mannose
  charge: -2
- id: CPD0280
  name: alpha,alpha'-Trehalose6-phosphate
  charge: -2
- id: CPD0282
  name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate
  charge: -4
- id: CPD0284
  name: Amylose
  charge: 0
- id: CPD0285
  name: Betaine
  charge: 0
- id: CPD0288
  name: D-Proline
  charge: 0
- id: CPD0289
  name: Urocanate
  charge: -1
- id: CPD0290
  name: tRNA(Tyr)
  charge: 0
- id: CPD0291
  name: D-Sorbitol
  charge: 0
- id: CPD0292
  name: 4-Coumarate
  charge: -1
- id: CPD0293
  name: D-Altronate
  charge: -1
- id: CPD0294
  name: Deoxyribose
  charge: 0
- id: CPD0295
  name: L-Arogenate
  charge: -1
- id: CPD0296
  name: Pantetheine
  charge: 0
- id: CPD0297
  name: dTDP-glucose
  charge: -2
- id: CPD0299
  name: Cobinamide
  charge: 0
- id: CPD0300
  name: Deamino-NAD
  charge: -2
- id: CPD0301
  name: L-Histidinol
  charge: 1
- id: CPD0302
  name: Pantothenate
  charge: -1
- id: CPD0303
  name: Dephospho-CoA
  charge: -2
- id: CPD0304
  name: L-Alanyl-tRNA
  charge: 1
- id: CPD0306
  name: (R,R)-Tartaricacid
  charge: -2
- id: CPD0307
  name: 2-Acetolactate
  charge: -1
- id: CPD0308
  name: D-Fructuronate
  charge: -1
- id: CPD0309
  name: Dihydropteroate
  charge: -1
- id: CPD0310
  name: Porphobilinogen
  charge: -1
- id: CPD0311
  name: 3-Dehydroquinate
  charge: -1
- id: CPD0312
  name: 2-Dehydropantoate
  charge: -1
- id: CPD0313
  name: O-Acetyl-L-serine
  charge: 0
- id: CPD0314
  name: 2-Phosphoglycolate
  charge: -3
- id: CPD0315
  name: D-Alanyl-D-alanine
  charge: 0
- id: CPD0316
  name: O-Phospho-L-serine
  charge: -2
- id: CPD0318
  name: Hydroxymethylbilane
  charge: -8
- id: CPD0319
  name: S-Formylglutathione
  charge: -1
- id: CPD0321
  name: N-Formyl-L-glutamate
  charge: -2
- id: CPD0322
  name: UDP-N-acetylmuramate
  charge: -3
- id: CPD0323
  name: UroporphyrinogenIII
  charge: -8
- id: CPD0324
  name: O-Acetyl-L-homoserine
  charge: 0
- id: CPD0325
  name: ProtoporphyrinogenIX
  charge: -2
- id: CPD0326
  name: Thiaminmonophosphate
  charge: -1
- id: CPD0327
  name: alpha,alpha-Trehalose
  charge: 0
- id: CPD0330
  name: D-Fructose1-phosphate
  charge: -2
- id: CPD0332
  name: L-Histidinolphosphate
  charge: -1
- id: CPD0333
  name: O-Phospho-L-homoserine
  charge: -2
- id: CPD0334
  name: Orotidine5'-phosphate
  charge: -3
- id: CPD0335
  name: D-Arabinose5-phosphate
  charge: -2
- id: CPD0336
  name: O-Succinyl-L-homoserine
  charge: -1
- id: CPD0337
  name: Pantetheine4'-phosphate
  charge: -2
- id: CPD0338
  name: (3S)-3,6-Diaminohexanoate
  charge: 1
- id: CPD0339
  name: (S)-3-Hydroxybutanoyl-CoA
  charge: -4
- id: CPD0340
  name: L-Glutamate5-semialdehyde
  charge: 0
- id: CPD0342
  name: 3-(4-Hydroxyphenyl)pyruvate
  charge: -1
- id: CPD0343
  name: D-Ribulose1,5-bisphosphate
  charge: -4
- id: CPD0344
  name: NicotinateD-ribonucleotide
  charge: -2
- id: CPD0345
  name: 3-Deoxy-D-manno-octulosonate
  charge: -1
- id: CPD0348
  name: Malonyl-[acyl-carrierprotein]
  charge: -1
- id: CPD0349
  name: UDP-N-acetylmuramoyl-L-alanine
  charge: -3
- id: CPD0351
  name: GDP-4-dehydro-6-deoxy-D-mannose
  charge: -2
- id: CPD0352
  name: D-Glucono-1,5-lactone6-phosphate
  charge: -2
- id: CPD0354
  name: Phosphatidyl-N-methylethanolamine
  charge: 0
- id: CPD0355
  name: N-Acetyl-L-glutamate5-semialdehyde
  charge: -1
- id: CPD0357
  name: 3-(Imidazol-4-yl)-2-oxopropylphosphate
  charge: -2
- id: CPD0358
  name: 5-Amino-6-(5'-phosphoribosylamino)uracil
  charge: -2
- id: CPD0359
  name: 5-O-(1-Carboxyvinyl)-3-phosphoshikimate
  charge: -4
- id: CPD0362
  name: 4-Amino-5-hydroxymethyl-2-methylpyrimidine
  charge: 0
- id: CPD0364
  name: 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine
  charge: 0
- id: CPD0365
  name: 1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose5-phosphate
  charge: -3
- id: CPD0366
  name: 2,5-Diamino-6-(5'-phosphoribosylamino)-4-pyrimidineone
  charge: -1
- id: CPD0368
  name: FADH2
  charge: -2
- id: CPD0369
  name: Potassium
  charge: 1
- id: CPD0370
  name: Cys-Gly
  charge: 0
- id: CPD0371
  name: Selenide
  charge: -1
- id: CPD0372
  name: Hippurate
  charge: -1
- id: CPD0373
  name: tRNA(Ala)
  charge: 0
- id: CPD0374
  name: tRNA(Arg)
  charge: 0
- id: CPD0375
  name: tRNA(Asp)
  charge: 0
- id: CPD0376
  name: tRNA(Cys)
  charge: 0
- id: CPD0377
  name: tRNA(Glu)
  charge: 0
- id: CPD0378
  name: tRNA(Gly)
  charge: 0
- id: CPD0379
  name: tRNA(His)
  charge: 0
- id: CPD0380
  name: tRNA(Ile)
  charge: 0
- id: CPD0381
  name: tRNA(Leu)
  charge: 0
- id: CPD0382
  name: tRNA(Lys)
  charge: 0
- id: CPD0383
  name: tRNA(Met)
  charge: 0
- id: CPD0384
  name: tRNA(Phe)
  charge: 0
- id: CPD0385
  name: tRNA(Pro)
  charge: 0
- id: CPD0386
  name: tRNA(Ser)
  charge: 0
- id: CPD0387
  name: tRNA(Thr)
  charge: 0
- id: CPD0388
  name: tRNA(Trp)
  charge: 0
- id: CPD0389
  name: tRNA(Val)
  charge: 0
- id: CPD0390
  name: Chitobiose
  charge: 0
- id: CPD0391
  name: Lipoylprotein
  charge: 0
- id: CPD0392
  name: Dethiobiotin
  charge: -1
- id: CPD0393
  name: L-Lysyl-tRNA
  charge: 2
- id: CPD0396
  name: L-Leucyl-tRNA
  charge: 1
- id: CPD0397
  name: 3-Hydroxypropionyl-CoA
  charge: -4
- id: CPD0398
  name: Chlorophyllidea
  charge: -2
- id: CPD0400
  name: L-Arginyl-tRNA(Arg)
  charge: 2
- id: CPD0401
  name: Protoporphyrin
  charge: -2
- id: CPD0403
  name: UDP-L-iduronate
  charge: -3
- id: CPD0404
  name: Glycyl-tRNA(Gly)
  charge: 1
- id: CPD0405
  name: L-Methionyl-tRNA
  charge: 1
- id: CPD0406
  name: Precorrin2
  charge: -7
- id: CPD0407
  name: (2S)-2-Isopropylmalate
  charge: -2
- id: CPD0408
  name: L-Seryl-tRNA(Ser)
  charge: 1
- id: CPD0409
  name: L-Valyl-tRNA(Val)
  charge: 1
- id: CPD0411
  name: 3-Hydroxy-5-methylhex-4-enoyl-CoA
  charge: -4
- id: CPD0412
  name: 2-Isopropylmaleate
  charge: -2
- id: CPD0413
  name: 3-Dehydroshikimate
  charge: -1
- id: CPD0414
  name: 3-Ureidopropionate
  charge: -1
- id: CPD0415
  name: L-Prolyl-tRNA(Pro)
  charge: 1
- id: CPD0417
  name: Phosphatidylserine
  charge: -1
- id: CPD0418
  name: 1-(5-Phospho-D-ribosyl)-ATP
  charge: -6
- id: CPD0419
  name: Phosphoribosyl-AMP
  charge: -4
- id: CPD0420
  name: (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA
  charge: -3
- id: CPD0421
  name: L-Tyrosyl-tRNA(Tyr)
  charge: 1
- id: CPD0424
  name: (S)-3-Hydroxyisobutyryl-CoA
  charge: -3
- id: CPD0425
  name: L-Aspartyl-tRNA(Asp)
  charge: 0
- id: CPD0426
  name: L-Glutamyl-tRNA(Glu)
  charge: 0
- id: CPD0427
  name: L-Histidyl-tRNA(His)
  charge: 1
- id: CPD0428
  name: L-Threonyl-tRNA(Thr)
  charge: 1
- id: CPD0430
  name: 3-Methylcrotonyl-CoA
  charge: -4
- id: CPD0431
  name: 4-Phospho-L-aspartate
  charge: -2
- id: CPD0432
  name: 5-Phosphoribosylamine
  charge: -1
- id: CPD0433
  name: Dimethylbenzimidazole
  charge: 0
- id: CPD0434
  name: L-Cysteinyl-tRNA(Cys)
  charge: 1
- id: CPD0435
  name: L-Isoleucyl-tRNA(Ile)
  charge: 1
- id: CPD0436
  name: Shikimate3-phosphate
  charge: -3
- id: CPD0437
  name: 3-Methylglutaconyl-CoA
  charge: -4
- id: CPD0438
  name: 3-Phosphonooxypyruvate
  charge: -3
- id: CPD0439
  name: CoproporphyrinogenIII
  charge: -4
- id: CPD0440
  name: L-Glutamyl5-phosphate
  charge: -2
- id: CPD0441
  name: N-Formylmethionyl-tRNA
  charge: 0
- id: CPD0442
  name: dTDP-6-deoxy-L-mannose
  charge: -2
- id: CPD0443
  name: L-2,3-Dihydrodipicolinate
  charge: -2
- id: CPD0444
  name: Aminoimidazoleribotide
  charge: -2
- id: CPD0445
  name: 3-Hydroxyisovaleryl-CoA
  charge: -4
- id: CPD0446
  name: L-Asparaginyl-tRNA(Asn)
  charge: 1
- id: CPD0447
  name: N-(L-Arginino)succinate
  charge: -1
- id: CPD0448
  name: (S)-Hydroxyhexanoyl-CoA
  charge: -4
- id: CPD0449
  name: Prephytoenediphosphate
  charge: -2
- id: CPD0450
  name: (R)-S-Lactoylglutathione
  charge: -1
- id: CPD0451
  name: 2-Hydroxy-3-oxosuccinate
  charge: -2
- id: CPD0452
  name: 5-Formyltetrahydrofolate
  charge: -2
- id: CPD0453
  name: Indoleglycerolphosphate
  charge: -2
- id: CPD0454
  name: L-2-Amino-3-oxobutanoicacid
  charge: 0
- id: CPD0455
  name: L-Phenylalanyl-tRNA(Phe)
  charge: 1
- id: CPD0456
  name: L-Tryptophanyl-tRNA(Trp)
  charge: 1
- id: CPD0457
  name: Magnesiumprotoporphyrin
  charge: -1
- id: CPD0461
  name: S-Aminomethyldihydrolipoylprotein
  charge: 0
- id: CPD0462
  name: 4-Imidazolone-5-propanoate
  charge: -1
- id: CPD0463
  name: Apo-[acyl-carrier-protein]
  charge: 0
- id: CPD0464
  name: (S)-4-Amino-5-oxopentanoate
  charge: 0
- id: CPD0465
  name: N6-(1,2-Dicarboxyethyl)-AMP
  charge: -4
- id: CPD0466
  name: Dihydrolipoylprotein
  charge: 0
- id: CPD0467
  name: (S)-Hydroxyoctanoyl-CoA
  charge: -4
- id: CPD0468
  name: 3-Oxopalmitoyl-CoA
  charge: -4
- id: CPD0469
  name: 5'-Phosphoribosylglycinamide
  charge: -1
- id: CPD0470
  name: Phosphatidylglycerophosphate
  charge: -3
- id: CPD0471
  name: (S)-1-Pyrroline-5-carboxylate
  charge: -1
- id: CPD0472
  name: 2,3,4,5-Tetrahydrodipicolinate
  charge: -2
- id: CPD0473
  name: 2,3-Dihydroxy-3-methylbutanoate
  charge: -1
- id: CPD0474
  name: 5-Dehydro-4-deoxy-D-glucuronate
  charge: -1
- id: CPD0475
  name: CMP-3-deoxy-D-manno-octulosonate
  charge: -2
- id: CPD0476
  name: D-1-Aminopropan-2-olO-phosphate
  charge: -1
- id: CPD0477
  name: N-Acetyl-L-glutamate5-phosphate
  charge: -3
- id: CPD0478
  name: (S)-Hydroxydecanoyl-CoA
  charge: -4
- id: CPD0479
  name: trans-Dec-2-enoyl-[acp]
  charge: -1
- id: CPD0481
  name: (S)-3-Hydroxydodecanoyl-CoA
  charge: -4
- id: CPD0482
  name: (S)-3-Hydroxytetradecanoyl-CoA
  charge: -4
- id: CPD0484
  name: 5-(2-Hydroxyethyl)-4-methylthiazole
  charge: 0
- id: CPD0485
  name: N-(5-Phospho-D-ribosyl)anthranilate
  charge: -3
- id: CPD0486
  name: 4-Methyl-5-(2-phosphoethyl)-thiazole
  charge: -2
- id: CPD0487
  name: 6,7-Dimethyl-8-(1-D-ribityl)lumazine
  charge: 0
- id: CPD0488
  name: (4S)-4,6-Dihydroxy-2,5-dioxohexanoate
  charge: -1
- id: CPD0489
  name: (R)-4'-Phosphopantothenoyl-L-cysteine
  charge: -3
- id: CPD0490
  name: 5'-Phosphoribosyl-N-formylglycinamide
  charge: -2
- id: CPD0491
  name: Carboxybiotin-carboxyl-carrierprotein
  charge: -1
- id: CPD0492
  name: N-Succinyl-LL-2,6-diaminoheptanedioate
  charge: -2
- id: CPD0493
  name: 2-Dehydro-3-deoxy-6-phospho-D-gluconate
  charge: -3
- id: CPD0494
  name: 5-Amino-6-(5'-phosphoribitylamino)uracil
  charge: -2
- id: CPD0495
  name: N-Succinyl-2-L-amino-6-oxoheptanedioate
  charge: -3
- id: CPD0496
  name: 3-Deoxy-D-manno-octulosonate8-phosphate
  charge: -3
- id: CPD0497
  name: Guanosine3'-diphosphate5'-triphosphate
  charge: -7
- id: CPD0498
  name: N-Acetyl-alpha-D-glucosamine1-phosphate
  charge: -2
- id: CPD0499
  name: Magnesiumprotoporphyrinmonomethylester
  charge: -1
- id: CPD0500
  name: 4-Amino-2-methyl-5-phosphomethylpyrimidine
  charge: -2
- id: CPD0501
  name: di-trans,poly-cis-Undecaprenyldiphosphate
  charge: -3
- id: CPD0503
  name: (3R)-3-Hydroxydecanoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD0504
  name: UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine
  charge: -3
- id: CPD0505
  name: 2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine
  charge: -1
- id: CPD0506
  name: UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine
  charge: -2
- id: CPD0507
  name: D-erythro-1-(Imidazol-4-yl)glycerol3-phosphate
  charge: -2
- id: CPD0508
  name: 3-Oxotetradecanoyl-CoA
  charge: -4
- id: CPD0509
  name: (3R)-3-Hydroxytetradecanoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD0510
  name: 2-Dehydro-3-deoxy-D-arabino-heptonate7-phosphate
  charge: -3
- id: CPD0511
  name: UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)
  charge: -3
- id: CPD0512
  name: 5-Amino-6-(1-D-ribitylamino)uracil
  charge: 0
- id: CPD0513
  name: 3-Oxododecanoyl-CoA
  charge: -4
- id: CPD0514
  name: UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine
  charge: -2
- id: CPD0515
  name: 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate
  charge: -3
- id: CPD0516
  name: 2-Methyl-4-amino-5-hydroxymethylpyrimidinediphosphate
  charge: -3
- id: CPD0517
  name: N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole
  charge: -2
- id: CPD0518
  name: 2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine
  charge: -2
- id: CPD0519
  name: 1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole
  charge: -4
- id: CPD0520
  name: 2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl1-phosphate
  charge: -2
- id: CPD0521
  name: MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-
  charge: -3
- id: CPD0522
  name: 2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-
  charge: 0
- id: CPD0523
  name: UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-
  charge: -4
- id: CPD0524
  name: 5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-
  charge: -4
- id: CPD0525
  name: N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-
  charge: -4
- id: CPD0526
  name: 2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-
  charge: -2
- id: CPD0529
  name: (S)-3-Hydroxyhexadecanoyl-CoA
  charge: -4
- id: CPD0531
  name: 5'-Deoxyadenosine
  charge: 0
- id: CPD0532
  name: 3-Oxohexanoyl-CoA
  charge: -4
- id: CPD0533
  name: Chlorophylla
  charge: -1
- id: CPD0534
  name: 5,6-Dihydrothymine
  charge: 0
- id: CPD0535
  name: 5-Methylcytosine
  charge: 0
- id: CPD0538
  name: 3-Carboxy-1-hydroxypropyl-ThPP
  charge: -3
- id: CPD0539
  name: Sedoheptulose7-phosphate
  charge: -2
- id: CPD0540
  name: Phytyldiphosphate
  charge: -2
- id: CPD0541
  name: Octanoyl-[acp]
  charge: -1
- id: CPD0542
  name: Precorrin3A
  charge: -7
- id: CPD0543
  name: alpha-Ribazole
  charge: 0
- id: CPD0544
  name: (S)-2-Acetolactate
  charge: -1
- id: CPD0545
  name: UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine
  charge: -3
- id: CPD0546
  name: Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-
  charge: -4
- id: CPD0547
  name: Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-Dglutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
  charge: -4
- id: CPD0548
  name: 10-FormyltetrahydrofolylL-glutamate
  charge: -3
- id: CPD0549
  name: D-erythro-3-Methylmalate
  charge: -2
- id: CPD0550
  name: O-Phospho-4-hydroxy-L-threonine
  charge: -2
- id: CPD0551
  name: L-Aspartyl-tRNA(Asn)
  charge: 0
- id: CPD0552
  name: alpha-D-Glucosamine1-phosphate
  charge: -1
- id: CPD0553
  name: Acetamide
  charge: 0
- id: CPD0554
  name: Holo-[carboxylase]
  charge: 0
- id: CPD0555
  name: Precorrin6Y
  charge: -6
- id: CPD0556
  name: Precorrin6X
  charge: -8
- id: CPD0557
  name: Hydrogenobyrinate
  charge: -6
- id: CPD0558
  name: Precorrin3B
  charge: -7
- id: CPD0559
  name: Precorrin4
  charge: -8
- id: CPD0560
  name: Precorrin8X
  charge: -7
- id: CPD0561
  name: Precorrin5
  charge: -8
- id: CPD0562
  name: 2-Keto-D-gluconicacid
  charge: -1
- id: CPD0563
  name: Hydrogenobyrinatea,cdiamide
  charge: -4
- id: CPD0564
  name: Cob(II)yrinatea,cdiamide
  charge: -5
- id: CPD0565
  name: Adenosylcobyrinatea,cdiamide
  charge: -5
- id: CPD0566
  name: Adenosylcobyrinatehexaamide
  charge: 0
- id: CPD0567
  name: Adenosylcobinamide
  charge: 1
- id: CPD0568
  name: Adenosylcobinamidephosphate
  charge: -1
- id: CPD0569
  name: Adenosine-GDP-cobinamide
  charge: -1
- id: CPD0572
  name: 4-Amino-4-deoxychorismate
  charge: -1
- id: CPD0573
  name: trans,trans,cis-Geranylgeranyldiphosphate
  charge: -2
- id: CPD0574
  name: 2-C-Methyl-D-erythritol4-phosphate
  charge: -2
- id: CPD0575
  name: 4-(Cytidine5'-diphospho)-2-C-methyl-D-erythritol
  charge: -2
- id: CPD0576
  name: 2-Phospho-4-(cytidine5'-diphospho)-2-C-methyl-D-erythritol
  charge: -3
- id: CPD0577
  name: 1-Deoxy-D-xylulose5-phosphate
  charge: -2
- id: CPD0578
  name: Butanoyl-CoA
  charge: -4
- id: CPD0579
  name: 5-Hydroxyisourate
  charge: 0
- id: CPD0580
  name: '[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n-'
  charge: 0
- id: CPD0581
  name: 4,6-Dideoxy-4-oxo-dTDP-D-glucose
  charge: -2
- id: CPD0582
  name: 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate
  charge: -1
- id: CPD0583
  name: S-(Hydroxymethyl)glutathione
  charge: -1
- id: CPD0584
  name: 3-Oxodecanoyl-CoA
  charge: -4
- id: CPD0585
  name: 3-Oxooctanoyl-CoA
  charge: -4
- id: CPD0586
  name: EnzymeN6-(lipoyl)lysine
  charge: 0
- id: CPD0587
  name: EnzymeN6-(dihydrolipoyl)lysine
  charge: 0
- id: CPD0588
  name: '[Dihydrolipoyllysine-residue(2-methylpropanoyl)transferase]'
  charge: 0
- id: CPD0589
  name: ProteinN6-(octanoyl)lysine
  charge: 0
- id: CPD0590
  name: ProteinN6-(lipoyl)lysine
  charge: 0
- id: CPD0591
  name: Apoprotein
  charge: 1
- id: CPD0592
  name: '[Dihydrolipoyllysine-residuesuccinyltransferase]'
  charge: 0
- id: CPD0596
  name: di-trans,poly-cis-Undecaprenylphosphate
  charge: -2
- id: CPD0599
  name: Mannitol
  charge: 0
- id: CPD0600
  name: D-Glycerate
  charge: -1
- id: CPD0601
  name: UDP-6-sulfoquinovose
  charge: -3
- id: CPD0604
  name: 3-Oxohexanoyl-[acp]
  charge: -1
- id: CPD0605
  name: (R)-3-Hydroxyhexanoyl-[acp]
  charge: -1
- id: CPD0606
  name: (R)-3-Hydroxybutanoyl-CoA
  charge: -4
- id: CPD0607
  name: Poly-beta-hydroxybutyrate
  charge: 0
- id: CPD0608
  name: Acetyl-[acyl-carrierprotein]
  charge: -1
- id: CPD0609
  name: Acetoacetyl-[acp]
  charge: -1
- id: CPD0610
  name: trans-Hexadec-2-enoyl-[acp]
  charge: -1
- id: CPD0611
  name: trans-Tetradec-2-enoyl-[acp]
  charge: -1
- id: CPD0612
  name: trans-Dodec-2-enoyl-[acp]
  charge: -1
- id: CPD0613
  name: trans-Oct-2-enoyl-[acp]
  charge: -1
- id: CPD0614
  name: Folate
  charge: -2
- id: CPD0615
  name: Tetrahydrofolyl-[Glu](2)
  charge: -3
- id: CPD0616
  name: Ethanol
  charge: 0
- id: CPD0617
  name: Pyridoxine
  charge: 0
- id: CPD0618
  name: gamma-L-Glutamylputrescine
  charge: 1
- id: CPD0619
  name: gamma-Glutamyl-gamma-aminobutyraldehyde
  charge: 0
- id: CPD0623
  name: Diacylglycerylhomoserine
  charge: 0
- id: CPD0624
  name: Diacylglyceryl-N,N,N-trimethylhomoserine
  charge: 0
- id: CPD0625
  name: N,N-Dimethylglycine
  charge: 0
- id: CPD0626
  name: 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide
  charge: -2
- id: CPD0627
  name: Hydrogen
  charge: 0
- id: CPD0630
  name: Lipoyl-[acp]
  charge: -1
- id: CPD0632
  name: UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine
  charge: -1
- id: CPD0635
  name: 2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-
  charge: -2
- id: CPD0636
  name: 3-Deoxy-D-manno-octulosonyl-lipidIV(A)
  charge: -5
- id: CPD0637
  name: Di[3-deoxy-D-manno-octulosonyl]-lipidIV(A)
  charge: -6
- id: CPD0644
  name: D-Phenylalanine
  charge: 0
- id: CPD0645
  name: Phenylpyruvate
  charge: -1
- id: CPD0646
  name: Nitricoxide
  charge: 0
- id: CPD0647
  name: Nitrousoxide
  charge: 0
- id: CPD0648
  name: Nitrite
  charge: -1
- id: CPD0649
  name: Nitrate
  charge: -1
- id: CPD0650
  name: Nitrogen
  charge: 0
- id: CPD0651
  name: Reducedferredoxin
  charge: 4
- id: CPD0652
  name: Oxidizedferredoxin
  charge: 6
- id: CPD0653
  name: Acetylene
  charge: 0
- id: CPD0654
  name: Ethylene
  charge: 0
- id: CPD0658
  name: Fe2
  charge: 2
- id: CPD0659
  name: Heme
  charge: -2
- id: CPD0660
  name: ReducedFMN
  charge: -1
- id: CPD0661
  name: Cob(I)yrinatea,cdiamide
  charge: -5
- id: CPD0662
  name: Protochlorophyllide
  charge: -2
- id: CPD0663
  name: 3-Vinylbacteriochlorophyllidea
  charge: -2
- id: CPD0664
  name: 3-Hydroxyethylbacteriochlorophyllidea
  charge: -2
- id: CPD0665
  name: 3-Hydroxyethylchlorophyllidea
  charge: -2
- id: CPD0666
  name: Propanoate
  charge: -1
- id: CPD0667
  name: (R)-Methylmalonyl-CoA
  charge: -5
- id: CPD0668
  name: 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide
  charge: -2
- id: CPD0670
  name: Urate
  charge: 0
- id: CPD0671
  name: dGDP
  charge: -3
- id: CPD0672
  name: dADP
  charge: -3
- id: CPD0673
  name: dUDP
  charge: -3
- id: CPD0674
  name: dCDP
  charge: -3
- id: CPD0675
  name: dUTP
  charge: -4
- id: CPD0676
  name: Taurine
  charge: 0
- id: CPD0677
  name: Aminoacetaldehyde
  charge: 1
- id: CPD0678
  name: 2-C-Methyl-D-erythritol2,4-cyclodiphosphate
  charge: -2
- id: CPD0679
  name: 1-Hydroxy-2-methyl-2-butenyl4-diphosphate
  charge: -3
- id: CPD0680
  name: all-trans-Octaprenyldiphosphate
  charge: -3
- id: CPD0682
  name: Hydantoin-5-propionate
  charge: -1
- id: CPD0683
  name: 13(1)-Hydroxy-magnesium-protoporphyrinIX13-monomethylester
  charge: -1
- id: CPD0684
  name: 13(1)-Oxo-magnesium-protoporphyrinIX13-monomethylester
  charge: -1
- id: CPD0685
  name: Divinylprotochlorophyllide
  charge: -2
- id: CPD0686
  name: 3-Amino-2-oxopropylphosphate
  charge: -1
- id: CPD0687
  name: Pyridoxinephosphate
  charge: -2
- id: CPD0688
  name: 3-Methylbutanoyl-CoA
  charge: -3
- id: CPD0695
  name: N-((R)-Pantothenoyl)-L-cysteine
  charge: 0
- id: CPD0696
  name: 2-Octaprenyl-6-methoxyphenol
  charge: 0
- id: CPD0697
  name: 2-Octaprenyl-6-methoxy-1,4-benzoquinone
  charge: 0
- id: CPD0698
  name: 2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
  charge: 0
- id: CPD0699
  name: 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
  charge: 0
- id: CPD0700
  name: 3-Octaprenyl-4-hydroxybenzoate
  charge: -1
- id: CPD0701
  name: 2-Octaprenylphenol
  charge: 0
- id: CPD0702
  name: 4-Hydroxybenzoate
  charge: -1
- id: CPD0717
  name: D-4'-Phosphopantothenate
  charge: -3
- id: CPD0718
  name: Glutaminyl-tRNA
  charge: 1
- id: CPD0719
  name: L-Glutamyl-tRNA(Gln)
  charge: 0
- id: CPD0720
  name: Thiosulfate
  charge: -2
- id: CPD0721
  name: Molybdate
  charge: -2
- id: CPD0722
  name: Thiamine
  charge: 1
- id: CPD0723
  name: Spermidine
  charge: 3
- id: CPD0724
  name: Fe3
  charge: 3
- id: CPD0726
  name: Maltose
  charge: 0
- id: CPD0727
  name: thiosulfate[p]
  charge: -2
- id: CPD0728
  name: Thiosulfate[e]
  charge: -2
- id: CPD0729
  name: sulfate[p]
  charge: -2
- id: CPD0730
  name: sulfate[e]
  charge: -2
- id: CPD0731
  name: Molybdate[p]
  charge: -2
- id: CPD0732
  name: Molybdate[e]
  charge: -2
- id: CPD0733
  name: thiamine[p]
  charge: 1
- id: CPD0734
  name: thiamine[e]
  charge: 1
- id: CPD0735
  name: putrescine[p]
  charge: 2
- id: CPD0736
  name: putrescine[e]
  charge: 2
- id: CPD0737
  name: spermidine[p]
  charge: 3
- id: CPD0738
  name: spermidine[e]
  charge: 3
- id: CPD0739
  name: Fe3[p]
  charge: 3
- id: CPD0740
  name: Fe3[e]
  charge: 3
- id: CPD0741
  name: betaine[p]
  charge: 0
- id: CPD0742
  name: betaine[e]
  charge: 0
- id: CPD0743
  name: L-proline[p]
  charge: 0
- id: CPD0744
  name: L-proline[e]
  charge: 0
- id: CPD0745
  name: choline[p]
  charge: 1
- id: CPD0746
  name: choline[e]
  charge: 1
- id: CPD0749
  name: Maltose[p]
  charge: 0
- id: CPD0750
  name: Maltose[e]
  charge: 0
- id: CPD0751
  name: glycerol-3-phosphate[p]
  charge: -2
- id: CPD0752
  name: glycerol-3-phosphate[e]
  charge: -2
- id: CPD0753
  name: D-Sorbitol[p]
  charge: 0
- id: CPD0754
  name: D-Sorbitol[e]
  charge: 0
- id: CPD0755
  name: Mannitol[p]
  charge: 0
- id: CPD0756
  name: Mannitol[e]
  charge: 0
- id: CPD0757
  name: Sucrose[p]
  charge: 0
- id: CPD0758
  name: Sucrose[e]
  charge: 0
- id: CPD0759
  name: alpha,alpha-Trehalose[p]
  charge: 0
- id: CPD0760
  name: alpha,alpha-Trehalose[e]
  charge: 0
- id: CPD0761
  name: Glycerol[p]
  charge: 0
- id: CPD0762
  name: Glycerol[e]
  charge: 0
- id: CPD0763
  name: D-Ribose[p]
  charge: 0
- id: CPD0764
  name: D-Ribose[e]
  charge: 0
- id: CPD0765
  name: D-Xylose
  charge: 0
- id: CPD0766
  name: D-Xylose[p]
  charge: 0
- id: CPD0767
  name: D-Xylose[e]
  charge: 0
- id: CPD0768
  name: D-Fructose[p]
  charge: 0
- id: CPD0769
  name: D-Fructose[e]
  charge: 0
- id: CPD0770
  name: Orthophosphate[p]
  charge: -2
- id: CPD0771
  name: Orthophosphate[e]
  charge: -2
- id: CPD0772
  name: L-Glutamate[p]
  charge: -1
- id: CPD0773
  name: L-Glutamate[e]
  charge: -1
- id: CPD0774
  name: L-Aspartate[p]
  charge: -1
- id: CPD0775
  name: L-Aspartate[e]
  charge: -1
- id: CPD0776
  name: L-Asparagine[p]
  charge: 0
- id: CPD0777
  name: L-Asparagine[e]
  charge: 0
- id: CPD0778
  name: L-erythro-4-Hydroxyglutamate
  charge: -2
- id: CPD0779
  name: L-4-Hydroxyglutamatesemialdehyde
  charge: 0
- id: CPD0780
  name: L-1-Pyrroline-3-hydroxy-5-carboxylate
  charge: -1
- id: CPD0781
  name: UroporphyrinogenI
  charge: -8
- id: CPD0782
  name: CoproporphyrinogenI
  charge: -4
- id: CPD0786
  name: D-Arabitol
  charge: 0
- id: CPD0787
  name: Photon
  charge: 0
  zeromass: yes
- id: CPD0788
  name: L-Arginine[p]
  charge: 1
- id: CPD0789
  name: L-Arginine[e]
  charge: 1
- id: CPD0790
  name: L-Histidine[p]
  charge: 0
- id: CPD0791
  name: L-Histidine[e]
  charge: 0
- id: CPD0792
  name: L-Lysine[p]
  charge: 1
- id: CPD0793
  name: L-Lysine[e]
  charge: 1
- id: CPD0794
  name: L-Cysteine[p]
  charge: 0
- id: CPD0795
  name: L-Cysteine[e]
  charge: 0
- id: CPD0796
  name: L-Glutamine[p]
  charge: 0
- id: CPD0797
  name: L-Glutamine[e]
  charge: 0
- id: CPD0798
  name: L-Leucine[p]
  charge: 0
- id: CPD0799
  name: L-Leucine[e]
  charge: 0
- id: CPD0800
  name: L-Isoleucine[p]
  charge: 0
- id: CPD0801
  name: L-Isoleucine[e]
  charge: 0
- id: CPD0802
  name: L-Valine[p]
  charge: 0
- id: CPD0803
  name: L-Valine[e]
  charge: 0
- id: CPD0804
  name: L-Methionine[p]
  charge: 0
- id: CPD0805
  name: L-Methionine[e]
  charge: 0
- id: CPD0809
  name: D-Alanyl-D-alanine[p]
  charge: 0
- id: CPD0810
  name: D-Alanyl-D-alanine[e]
  charge: 0
- id: CPD0811
  name: L-alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine
  charge: -1
- id: CPD0812
  name: L-alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine[p]
  charge: -1
- id: CPD0813
  name: L-alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine[e]
  charge: -1
- id: CPD0814
  name: Glutathione[p]
  charge: -1
- id: CPD0815
  name: Glutathione[e]
  charge: -1
- id: CPD0816
  name: Glutathionedisulfide[p]
  charge: -2
- id: CPD0817
  name: Glutathionedisulfide[e]
  charge: -2
- id: CPD0818
  name: Cobamidecoenzyme[p]
  charge: 0
- id: CPD0819
  name: Cobamidecoenzyme[e]
  charge: 0
- id: CPD0820
  name: Cu2+
  charge: 2
- id: CPD0821
  name: Cu2+[p]
  charge: 2
- id: CPD0822
  name: Cu2+[e]
  charge: 2
- id: CPD0825
  name: Zinc
  charge: 2
- id: CPD0826
  name: Zinc[p]
  charge: 2
- id: CPD0827
  name: Zinc[e]
  charge: 2
- id: CPD0828
  name: Fe2[p]
  charge: 2
- id: CPD0829
  name: Fe2[e]
  charge: 2
- id: CPD0830
  name: Mn2
  charge: 2
- id: CPD0831
  name: Mn2[p]
  charge: 2
- id: CPD0832
  name: Mn2[e]
  charge: 2
- id: CPD0834
  name: Co2[p]
  charge: 2
- id: CPD0835
  name: Co2[e]
  charge: 2
- id: CPD0836
  name: Heme[p]
  charge: -2
- id: CPD0837
  name: Heme[e]
  charge: -2
- id: CPD0838
  name: Mercaptopyruvate
  charge: -1
- id: CPD0839
  name: L-Cysteate
  charge: -1
- id: CPD0840
  name: 3-Sulfopyruvate
  charge: -2
- id: CPD0841
  name: D-4-Hydroxy-2-oxoglutarate
  charge: -2
- id: CPD0842
  name: D-Glyceraldehyde
  charge: 0
- id: CPD0843
  name: 4-Aminobutyraldehyde
  charge: 1
- id: CPD0844
  name: 4-Aminobutanoate
  charge: 0
- id: CPD0849
  name: (S)-Methylmalonatesemialdehyde
  charge: -1
- id: CPD0855
  name: 5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole
  charge: -3
- id: CPD0856
  name: 5-Amino-4-imidazolecarboxyamide
  charge: 1
- id: CPD0857
  name: Guanosine
  charge: 0
- id: CPD0858
  name: N-Ribosylnicotinamide
  charge: 1
- id: CPD0860
  name: Xanthosine
  charge: 0
- id: CPD0861
  name: NicotinateD-ribonucleoside
  charge: 0
- id: CPD0862
  name: dCMP
  charge: -2
- id: CPD0863
  name: Deoxycytidine
  charge: 0
- id: CPD0864
  name: dGMP
  charge: -2
- id: CPD0865
  name: dAMP
  charge: -2
- id: CPD0866
  name: Deoxyadenosine
  charge: 0
- id: CPD0867
  name: 3'-AMP
  charge: -2
- id: CPD0868
  name: 3'-UMP
  charge: -2
- id: CPD0869
  name: 3'-GMP
  charge: -2
- id: CPD0870
  name: 3'-CMP
  charge: -2
- id: CPD0871
  name: H2O[p]
  charge: 0
- id: CPD0872
  name: H2O[e]
  charge: 0
- id: CPD0873
  name: H[p]
  charge: 1
- id: CPD0874
  name: NH3[p]
  charge: 1
- id: CPD0875
  name: NH3[e]
  charge: 1
- id: CPD0876
  name: Sodium
  charge: 1
- id: CPD0877
  name: Sodium[p]
  charge: 1
- id: CPD0878
  name: Sodium[e]
  charge: 1
- id: CPD0879
  name: Calcium
  charge: 2
- id: CPD0880
  name: Calcium[p]
  charge: 2
- id: CPD0881
  name: Calcium[e]
  charge: 2
- id: CPD0882
  name: CO2[p]
  charge: 0
- id: CPD0883
  name: CO2[e]
  charge: 0
- id: CPD0884
  name: Oxygen[p]
  charge: 0
- id: CPD0885
  name: Oxygen[e]
  charge: 0
- id: CPD0886
  name: Succinate[p]
  charge: -2
- id: CPD0887
  name: Succinate[e]
  charge: -2
- id: CPD0888
  name: H[e]
  charge: 1
- id: CPD0889
  name: (S)-Malate[p]
  charge: -2
- id: CPD0890
  name: (S)-Malate[e]
  charge: -2
- id: CPD0891
  name: Fumarate[p]
  charge: -2
- id: CPD0892
  name: Fumarate[e]
  charge: -2
- id: CPD0893
  name: 2-Oxopentanoicacid
  charge: -1
- id: CPD0894
  name: Pyruvate[p]
  charge: -1
- id: CPD0895
  name: Pyruvate[e]
  charge: -1
- id: CPD0896
  name: 2-Oxobutanoate[p]
  charge: -1
- id: CPD0897
  name: 2-Oxobutanoate[e]
  charge: -1
- id: CPD0898
  name: 2-Oxopentanoicacid[p]
  charge: -1
- id: CPD0899
  name: 2-Oxopentanoicacid[e]
  charge: -1
- id: CPD0900
  name: 3'-AMP[p]
  charge: -2
- id: CPD0901
  name: 3'-AMP[e]
  charge: -2
- id: CPD0902
  name: 3'-UMP[p]
  charge: -2
- id: CPD0903
  name: 3'-UMP[e]
  charge: -2
- id: CPD0904
  name: 3'-GMP[p]
  charge: -2
- id: CPD0905
  name: 3'-GMP[e]
  charge: -2
- id: CPD0906
  name: 3'-CMP[p]
  charge: -2
- id: CPD0907
  name: 3'-CMP[e]
  charge: -2
- id: CPD0908
  name: D-Alanine[p]
  charge: 0
- id: CPD0909
  name: D-Alanine[e]
  charge: 0
- id: CPD0910
  name: L-Alanine[p]
  charge: 0
- id: CPD0911
  name: L-Alanine[e]
  charge: 0
- id: CPD0912
  name: Glycine[p]
  charge: 0
- id: CPD0913
  name: Glycine[e]
  charge: 0
- id: CPD0914
  name: Carboxyspermidine
  charge: 2
- id: CPD0915
  name: Rhodovibrin
  charge: 0
- id: CPD0916
  name: Hydroxyspirilloxanthin
  charge: 0
- id: CPD0917
  name: gamma-Glutamyl-gamma-aminobutyrate
  charge: -1
- id: CPD0918
  name: trans-4-Hydroxy-L-proline
  charge: 0
- id: CPD0919
  name: N-Acetyl-L-citrulline
  charge: -1
- id: CPD0922
  name: 3-Ureidoisobutyrate
  charge: -1
- id: CPD0923
  name: 3-Aminoisobutyricacid
  charge: 0
- id: CPD0924
  name: Citrate[p]
  charge: -3
- id: CPD0925
  name: Citrate[e]
  charge: -3
- id: CPD0926
  name: Biotinyl-5'-AMP
  charge: -1
- id: CPD0927
  name: Apo-[carboxylase]
  charge: 1
- id: CPD0928
  name: trans-Hex-2-enoyl-[acp]
  charge: -1
- id: CPD0929
  name: Hexanoyl-CoA
  charge: -4
- id: CPD0930
  name: trans-Hex-2-enoyl-CoA
  charge: -4
- id: CPD0931
  name: Palmitoyl-CoA
  charge: -4
- id: CPD0932
  name: trans-Hexadec-2-enoyl-CoA
  charge: -4
- id: CPD0933
  name: Tetradecanoyl-CoA
  charge: -4
- id: CPD0934
  name: trans-Tetradec-2-enoyl-CoA
  charge: -4
- id: CPD0935
  name: Lauroyl-CoA
  charge: -4
- id: CPD0936
  name: 2-trans-Dodecenoyl-CoA
  charge: -4
- id: CPD0937
  name: Decanoyl-CoA
  charge: -4
- id: CPD0938
  name: trans-Dec-2-enoyl-CoA
  charge: -4
- id: CPD0939
  name: Octanoyl-CoA
  charge: -4
- id: CPD0940
  name: trans-Oct-2-enoyl-CoA
  charge: -4
- id: CPD0941
  name: (S)-2-Methylbutanoyl-CoA
  charge: -4
- id: CPD0942
  name: 2-Methylbut-2-enoyl-CoA
  charge: -4
- id: CPD0943
  name: Propenoyl-CoA
  charge: -4
- id: CPD0944
  name: 2-Methylpropanoyl-CoA
  charge: -3
- id: CPD0945
  name: 2-Methylprop-2-enoyl-CoA
  charge: -3
- id: CPD0946
  name: 5-Methylhex-4-enoyl-CoA
  charge: -4
- id: CPD0947
  name: (2E)-5-Methylhexa-2,4-dienoyl-CoA
  charge: -4
- id: CPD0950
  name: Glutaryl-CoA
  charge: -5
- id: CPD0951
  name: Crotonoyl-CoA
  charge: -4
- id: CPD0955
  name: Ethanolamine
  charge: 1
- id: CPD0961
  name: Phosphatidyl-N-dimethylethanolamine
  charge: 0
- id: CPD0962
  name: 4-Hydroxy-L-threonine
  charge: 0
- id: CPD0964
  name: 2-Oxo-3-hydroxy-4-phosphobutanoate
  charge: -3
- id: CPD0965
  name: Phytoene
  charge: 0
- id: CPD0966
  name: Phytofluene
  charge: 0
- id: CPD0967
  name: zeta-Carotene
  charge: 0
- id: CPD0968
  name: Neurosporene
  charge: 0
- id: CPD0969
  name: Rhodopin
  charge: 0
- id: CPD0970
  name: Lycopene
  charge: 0
- id: CPD0971
  name: Anhydrorhodovibrin
  charge: 0
- id: CPD0972
  name: 3,4-Dehydrorhodopin
  charge: 0
- id: CPD0973
  name: 3,4-Dihydroanhydrorhodovibrin
  charge: 0
- id: CPD0974
  name: 3',4'-Dihydrorhodovibrin
  charge: 0
- id: CPD0975
  name: Spheroidene
  charge: 0
- id: CPD0976
  name: Hydroxyspheroidene
  charge: 0
- id: CPD0977
  name: Spheroidenone
  charge: 0
- id: CPD0978
  name: Hydroxyspheroidenone
  charge: 0
- id: CPD0979
  name: Hydroxyneurosporene
  charge: 0
- id: CPD0982
  name: Demethylspheroidene
  charge: 0
- id: CPD0983
  name: 3,4-Dihydrospheroidene
  charge: 0
- id: CPD0984
  name: 3,4,3',4'-Tetrahydrospirilloxanthin
  charge: 0
- id: CPD0985
  name: Spirilloxanthin
  charge: 0
- id: CPD0986
  name: 2-Ketospirilloxanthin
  charge: 0
- id: CPD0987
  name: 2,2'-Diketospirilloxanthin
  charge: 0
- id: CPD0988
  name: (R)-Malate
  charge: -2
- id: CPD0993
  name: L-Cystathionine
  charge: 0
- id: CPD0994
  name: Selenocysteine
  charge: 0
- id: CPD0995
  name: Selenocystathionine
  charge: 0
- id: CPD0996
  name: D-Aspartate
  charge: -1
- id: CPD0997
  name: But-2-enoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD0998
  name: (3R)-3-Hydroxybutanoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD0999
  name: (3R)-3-Hydroxyoctanoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD1000
  name: 3-Oxooctanoyl-[acp]
  charge: -1
- id: CPD1001
  name: (R)-3-Hydroxydodecanoyl-[acp]
  charge: -1
- id: CPD1002
  name: 3-Oxodecanoyl-[acp]
  charge: -1
- id: CPD1003
  name: 3-Oxotetradecanoyl-[acp]
  charge: -1
- id: CPD1004
  name: 3-Oxododecanoyl-[acp]
  charge: -1
- id: CPD1005
  name: (3R)-3-Hydroxypalmitoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD1006
  name: 3-Oxohexadecanoyl-[acp]
  charge: -1
- id: CPD1007
  name: 3-Oxostearoyl-[acp]
  charge: -1
- id: CPD1008
  name: 3-Hydroxyoctadecanoyl-[acp]
  charge: -1
- id: CPD1009
  name: Butyryl-[acp]
  charge: -1
- id: CPD1010
  name: Hexanoyl-[acp]
  charge: -1
- id: CPD1011
  name: Decanoyl-[acp]
  charge: -1
- id: CPD1012
  name: Dodecanoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD1013
  name: Tetradecanoyl-[acp]
  charge: -1
- id: CPD1014
  name: Hexadecanoyl-[acp]
  charge: -1
- id: CPD1015
  name: Bacteriochlorophylla
  charge: -1
- id: CPD1016
  name: Bacteriochlorophyllb
  charge: -1
- id: CPD1017
  name: dITP
  charge: -4
- id: CPD1018
  name: XTP
  charge: -4
- id: CPD1019
  name: 2'-Deoxyinosine5'-phosphate
  charge: -2
- id: CPD1020
  name: Guanosine3',5'-bis(diphosphate)
  charge: -6
- id: CPD1021
  name: 2',3'-CyclicAMP
  charge: -1
- id: CPD1022
  name: 2',3'-CyclicCMP
  charge: -1
- id: CPD1023
  name: 2',3'-CyclicUMP
  charge: -1
- id: CPD1024
  name: 2',3'-CyclicGMP
  charge: -1
- id: CPD1026
  name: 2-Methylacetoacetyl-CoA
  charge: -4
- id: CPD1028
  name: 7-Methyl-3-oxo-6-octenoyl-CoA
  charge: -4
- id: CPD1029
  name: 5-Methyl-3-oxo-4-hexenoyl-CoA
  charge: -4
- id: CPD1030
  name: (S)-3-Hydroxyisobutyrate
  charge: -1
- id: CPD1031
  name: Pyridoxamine
  charge: 1
- id: CPD1032
  name: 4-Methyl-2-oxopentanoate
  charge: -1
- id: CPD1033
  name: '[Dihydrolipoyllysine-residue(2-methylpropanoyl)transferase]'
  charge: 0
- id: CPD1034
  name: '[Dihydrolipoyllysine-residue(2-methylpropanoyl)transferase]'
  charge: 0
- id: CPD1035
  name: (2S)-2-Isopropyl-3-oxosuccinate
  charge: -2
- id: CPD1036
  name: (2R,3S)-3-Isopropylmalate
  charge: -2
- id: CPD1037
  name: (R)-2,3-Dihydroxy-3-methylbutanoate
  charge: -1
- id: CPD1038
  name: (R)-2,3-Dihydroxy-3-methylpentanoate
  charge: -1
- id: CPD1040
  name: D-Mannose[p]
  charge: 0
- id: CPD1041
  name: D-Mannose[e]
  charge: 0
- id: CPD1042
  name: (S)-2-Aceto-2-hydroxybutanoate
  charge: -1
- id: CPD1043
  name: 2-Octaprenyl-6-hydroxyphenol
  charge: 0
- id: CPD1044
  name: (R)-3-Hydroxy-3-methyl-2-oxopentanoate
  charge: -1
- id: CPD1045
  name: (R)-2-Methylmalate
  charge: -2
- id: CPD1046
  name: 2-Methylmaleate
  charge: -2
- id: CPD1047
  name: 2-Oxoadipate
  charge: -2
- id: CPD1048
  name: '[Dihydrolipoyllysine-residuesuccinyltransferase]'
  charge: 0
- id: CPD1049
  name: Sulfoacetaldehyde
  charge: -1
- id: CPD1050
  name: Propanoylphosphate
  charge: -2
- id: CPD1051
  name: 3,4-Dihydroxy-2-butanone4-phosphate
  charge: -1
- id: CPD1053
  name: D-Arabinose
  charge: 0
- id: CPD1056
  name: Xylitol
  charge: 0
- id: CPD1057
  name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine
  charge: 0
- id: CPD1058
  name: Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
  charge: 0
- id: CPD1059
  name: (R)-1-Aminopropan-2-ol
  charge: 0
- id: CPD1062
  name: Aminoacetone
  charge: 1
- id: CPD1063
  name: (2S)-Ethylmalonyl-CoA
  charge: -5
- id: CPD1064
  name: (2R)-Ethylmalonyl-CoA
  charge: -5
- id: CPD1065
  name: (2S)-methylsuccinyl-coA
  charge: -5
- id: CPD1066
  name: Mesaconyl-CoA
  charge: -5
- id: CPD1067
  name: L-erythro-3-Methylmalyl-CoA
  charge: -5
- id: CPD1068
  name: Malyl-CoA
  charge: -5
- id: CPD1069
  name: Citramalyl-CoA
  charge: -5
- id: CPD1070
  name: N-Carbamyl-L-glutamate
  charge: -1
- id: CPD1071
  name: Nickel[p]
  charge: 2
- id: CPD1072
  name: Nickel[e]
  charge: 2
- id: CPD1073
  name: D-Glucose[p]
  charge: 0
- id: CPD1074
  name: D-Glucose[e]
  charge: 0
- id: CPD1075
  name: Acetate[p]
  charge: -1
- id: CPD1076
  name: Acetate[e]
  charge: -1
- id: CPD1077
  name: L-Phenylalanine[p]
  charge: 0
- id: CPD1078
  name: L-Phenylalanine[e]
  charge: 0
- id: CPD1081
  name: L-Tryptophan[p]
  charge: 0
- id: CPD1082
  name: L-Tryptophan[e]
  charge: 0
- id: CPD1083
  name: L-Serine[p]
  charge: 0
- id: CPD1084
  name: L-Serine[e]
  charge: 0
- id: CPD1085
  name: L-Threonine[p]
  charge: 0
- id: CPD1086
  name: L-Threonine[e]
  charge: 0
- id: CPD1087
  name: Glyoxylate[p]
  charge: -1
- id: CPD1088
  name: Glyoxylate[e]
  charge: -1
- id: CPD1089
  name: Formate[p]
  charge: -1
- id: CPD1090
  name: Formate[e]
  charge: -1
- id: CPD1091
  name: Formaldehyde[p]
  charge: 0
- id: CPD1092
  name: Formaldehyde[e]
  charge: 0
- id: CPD1093
  name: L-Ornithine[p]
  charge: 1
- id: CPD1094
  name: L-Ornithine[e]
  charge: 1
- id: CPD1097
  name: Urea[p]
  charge: 0
- id: CPD1098
  name: Urea[e]
  charge: 0
- id: CPD1099
  name: beta-Alanine[p]
  charge: 0
- id: CPD1100
  name: beta-Alanine[e]
  charge: 0
- id: CPD1101
  name: Uracil[p]
  charge: 0
- id: CPD1102
  name: Uracil[e]
  charge: 0
- id: CPD1103
  name: Cytosine[p]
  charge: 0
- id: CPD1104
  name: Cytosine[e]
  charge: 0
- id: CPD1105
  name: Benzoate[p]
  charge: -1
- id: CPD1106
  name: Benzoate[e]
  charge: -1
- id: CPD1107
  name: (R)-Lactate[p]
  charge: -1
- id: CPD1108
  name: (R)-Lactate[e]
  charge: -1
- id: CPD1109
  name: (S)-Lactate[p]
  charge: -1
- id: CPD1110
  name: (S)-Lactate[e]
  charge: -1
- id: CPD1111
  name: (R)-Malate[p]
  charge: -2
- id: CPD1112
  name: (R)-Malate[e]
  charge: -2
- id: CPD1113
  name: Magnesium[p]
  charge: 2
- id: CPD1114
  name: Magnesium[e]
  charge: 2
- id: CPD1115
  name: D-Gluconicacid[p]
  charge: -1
- id: CPD1116
  name: D-Gluconicacid[e]
  charge: -1
- id: CPD1117
  name: D-Glucuronate[p]
  charge: -1
- id: CPD1118
  name: D-Glucuronate[e]
  charge: -1
- id: CPD1119
  name: Potassium[p]
  charge: 1
- id: CPD1120
  name: Potassium[e]
  charge: 1
- id: CPD1121
  name: Adenine[p]
  charge: 0
- id: CPD1122
  name: Adenine[e]
  charge: 0
- id: CPD1123
  name: Thymine[p]
  charge: 0
- id: CPD1124
  name: Thymine[e]
  charge: 0
- id: CPD1125
  name: Guanine[p]
  charge: 0
- id: CPD1126
  name: Guanine[e]
  charge: 0
- id: CPD1127
  name: Riboflavin[p]
  charge: 0
- id: CPD1128
  name: Riboflavin[e]
  charge: 0
- id: CPD1129
  name: Hypoxanthine[p]
  charge: 0
- id: CPD1130
  name: Hypoxanthine[e]
  charge: 0
- id: CPD1131
  name: Xanthine[p]
  charge: 0
- id: CPD1132
  name: Xanthine[e]
  charge: 0
- id: CPD1133
  name: 5,6-Dihydrouracil[p]
  charge: 0
- id: CPD1134
  name: 5,6-Dihydrouracil[e]
  charge: 0
- id: CPD1135
  name: Cobinamide[p]
  charge: 0
- id: CPD1136
  name: Cobinamide[e]
  charge: 0
- id: CPD1137
  name: Taurine[p]
  charge: 0
- id: CPD1138
  name: Taurine[e]
  charge: 0
- id: CPD1139
  name: D-Glycerate[p]
  charge: -1
- id: CPD1140
  name: D-Glycerate[e]
  charge: -1
- id: CPD1141
  name: Ethanol[p]
  charge: 0
- id: CPD1142
  name: Ethanol[e]
  charge: 0
- id: CPD1143
  name: Hydrogen[p]
  charge: 0
- id: CPD1144
  name: Hydrogen[e]
  charge: 0
- id: CPD1145
  name: D-Phenylalanine[p]
  charge: 0
- id: CPD1146
  name: D-Phenylalanine[e]
  charge: 0
- id: CPD1147
  name: Nitrite[p]
  charge: -1
- id: CPD1148
  name: Nitrite[e]
  charge: -1
- id: CPD1149
  name: Nitrate[p]
  charge: -1
- id: CPD1150
  name: Nitrate[e]
  charge: -1
- id: CPD1151
  name: Nitrogen[p]
  charge: 0
- id: CPD1152
  name: Nitrogen[e]
  charge: 0
- id: CPD1153
  name: Propanoate[p]
  charge: -1
- id: CPD1154
  name: Propanoate[e]
  charge: -1
- id: CPD1155
  name: D-Arabitol[p]
  charge: 0
- id: CPD1156
  name: D-Arabitol[e]
  charge: 0
- id: CPD1157
  name: L-Cysteate[p]
  charge: -1
- id: CPD1158
  name: L-Cysteate[e]
  charge: -1
- id: CPD1159
  name: D-Aspartate[p]
  charge: -1
- id: CPD1160
  name: D-Aspartate[e]
  charge: -1
- id: CPD1161
  name: 2',3'-CyclicAMP[p]
  charge: -1
- id: CPD1162
  name: 2',3'-CyclicAMP[e]
  charge: -1
- id: CPD1163
  name: 2',3'-CyclicCMP[p]
  charge: -1
- id: CPD1164
  name: 2',3'-CyclicCMP[e]
  charge: -1
- id: CPD1165
  name: 2',3'-CyclicUMP[p]
  charge: -1
- id: CPD1166
  name: 2',3'-CyclicUMP[e]
  charge: -1
- id: CPD1167
  name: 2',3'-CyclicGMP[p]
  charge: -1
- id: CPD1168
  name: 2',3'-CyclicGMP[e]
  charge: -1
- id: CPD1169
  name: D-Arabinose[p]
  charge: 0
- id: CPD1170
  name: D-Arabinose[e]
  charge: 0
- id: CPD1171
  name: Xylitol[p]
  charge: 0
- id: CPD1172
  name: Xylitol[e]
  charge: 0
- id: CPD1173
  name: Cholinephosphate[p]
  charge: 0
- id: CPD1174
  name: Cholinephosphate[e]
  charge: 0
- id: CPD1175
  name: Ribitol[p]
  charge: 0
- id: CPD1176
  name: Ribitol[e]
  charge: 0
- id: CPD1179
  name: Glycolate[p]
  charge: -1
- id: CPD1180
  name: Glycolate[e]
  charge: -1
- id: CPD1181
  name: 2-Oxoglutarate[p]
  charge: -2
- id: CPD1182
  name: 2-Oxoglutarate[e]
  charge: -2
- id: CPD1183
  name: 4-Hydroxy-2-oxoglutarate[p]
  charge: -2
- id: CPD1184
  name: 4-Hydroxy-2-oxoglutarate[e]
  charge: -2
- id: CPD1185
  name: D-Altronate[p]
  charge: -1
- id: CPD1186
  name: D-Altronate[e]
  charge: -1
- id: CPD1187
  name: Deoxyribose[p]
  charge: 0
- id: CPD1188
  name: Deoxyribose[e]
  charge: 0
- id: CPD1189
  name: Cys-Gly[p]
  charge: 0
- id: CPD1190
  name: Cys-Gly[e]
  charge: 0
- id: CPD1191
  name: Hippurate[p]
  charge: -1
- id: CPD1192
  name: Hippurate[e]
  charge: -1
- id: CPD1193
  name: Chitobiose[p]
  charge: 0
- id: CPD1194
  name: Chitobiose[e]
  charge: 0
- id: CPD1195
  name: D-1-Aminopropan-2-olO-phosphate[p]
  charge: -1
- id: CPD1196
  name: D-1-Aminopropan-2-olO-phosphate[e]
  charge: -1
- id: CPD1197
  name: Acetamide[p]
  charge: 0
- id: CPD1198
  name: Acetamide[e]
  charge: 0
- id: CPD1201
  name: (R)-2-Methylmalate[p]
  charge: -2
- id: CPD1202
  name: (R)-2-Methylmalate[e]
  charge: -2
- id: CPD1203
  name: 3-Phospho-D-glycerate[p]
  charge: -3
- id: CPD1204
  name: 3-Phospho-D-glycerate[e]
  charge: -3
- id: CPD1205
  name: Hydrogensulfide[p]
  charge: 0
- id: CPD1206
  name: Hydrogensulfide[e]
  charge: 0
- id: CPD1207
  name: Pyridine-2,3-dicarboxylate
  charge: -2
- id: CPD1208
  name: Iminoaspartate
  charge: -2
- id: CPD1209
  name: 4-Phospho-D-erythronate
  charge: -3
- id: CPD1210
  name: Biotin[p]
  charge: -1
- id: CPD1211
  name: Biotin[e]
  charge: -1
- id: CPD1212
  name: Nicotinate[p]
  charge: -1
- id: CPD1213
  name: Nicotinate[e]
  charge: -1
- id: CPD1214
  name: Photon[e]
  charge: 0
  zeromass: yes
- id: CPD1215
  name: Dimethylsulfoxide[p]
  charge: 0
- id: CPD1216
  name: Dimethylsulfide[p]
  charge: 0
- id: CPD1217
  name: Dimethylsulfoxide[e]
  charge: 0
- id: CPD1218
  name: Dimethylsulfide[e]
  charge: 0
- id: CPD1219
  name: Formamidopyrimidinenucleosidetriphosphate
  charge: -3
- id: CPD1220
  name: 2,5-Diaminopyrimidinenucleosidetriphosphate
  charge: -3
- id: CPD1221
  name: 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-
  charge: -3
- id: CPD1222
  name: 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine
  charge: -3
- id: CPD1223
  name: Octadecanoicacid
  charge: -1
- id: CPD1224
  name: (11E)-Octadecenoicacid
  charge: -1
- id: CPD1225
  name: (9Z)-Hexadecenoicacid
  charge: -1
- id: CPD1226
  name: Hexadecenoyl-[acyl-carrierprotein]
  charge: -1
- id: CPD1227
  name: (11E)-Octadecenoly-[acyl-carrierprotein]
  charge: -1
- id: CPD1228
  name: Cardiolipin
  charge: 0
- id: CPD1229
  name: LPS
  charge: 0
- id: CPD1230
  name: Methanol[p]
  charge: 0
- id: CPD1231
  name: Methanol[e]
  charge: 0
- id: CPD1232
  name: 5'-Methylthioadenosine[p]
  charge: 0
- id: CPD1233
  name: 5'-Methylthioadenosine[e]
  charge: 0
- id: CPD1234
  name: Glycolaldehyde[p]
  charge: 0
- id: CPD1235
  name: Glycolaldehyde[e]
  charge: 0
- id: CPD1236
  name: Dethiobiotin[p]
  charge: -1
- id: CPD1237
  name: Dethiobiotin[e]
  charge: -1
- id: CPD1238
  name: Methanethiol[p]
  charge: 0
- id: CPD1239
  name: Methanethiol[e]
  charge: 0
- id: CPD1240
  name: meso-Tartaricacid[p]
  charge: -2
- id: CPD1241
  name: meso-Tartaricacid[e]
  charge: -2
- id: CPD1242
  name: 4-Coumarate[p]
  charge: -1
- id: CPD1243
  name: 4-Coumarate[e]
  charge: -1
- id: CPD1244
  name: Selenide[p]
  charge: -1
- id: CPD1245
  name: Selenide[e]
  charge: -1
- id: CPD1246
  name: 5-Methylcytosine[p]
  charge: 0
- id: CPD1247
  name: 5-Methylcytosine[e]
  charge: 0
- id: CPD1248
  name: Aminoacetaldehyde[p]
  charge: 1
- id: CPD1249
  name: Aminoacetaldehyde[e]
  charge: 1
- id: CPD1250
  name: Ethanolamine[p]
  charge: 1
- id: CPD1251
  name: Ethanolamine[e]
  charge: 1
- id: CPD1252
  name: 5'-Deoxyadenosine[p]
  charge: 0
- id: CPD1253
  name: 5'-Deoxyadenosine[e]
  charge: 0
- id: CPD1256
  name: 3-Sulfopyruvate[p]
  charge: -2
- id: CPD1257
  name: 3-Sulfopyruvate[e]
  charge: -2
- id: CPD1260
  name: 4-Aminobutyraldehyde[p]
  charge: 1
- id: CPD1261
  name: 4-Aminobutyraldehyde[e]
  charge: 1
- id: CPD1262
  name: D-Proline[p]
  charge: 0
- id: CPD1263
  name: D-Proline[e]
  charge: 0
- id: CPD1266
  name: tRNA(Asn)
  charge: 0
- id: CPD1267
  name: tRNA(Gln)
  charge: 0
- id: CPD1268
  name: Sulfoquinovosyldiacylglycerol
  charge: -2
- id: CPD1269
  name: Sulfite[p]
  charge: -2
- id: CPD1270
  name: Sulfite[e]
  charge: -2